A0A077Z401_TRITR Loading...

Tropomodulin family protein

AlphaFold DB , UniProt , Accession A0A077Z401, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 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
1M45.1Very low39.1Very low247 Ų247146.2 Ų146.2100%1.21784%0.837SS**  0101.90-78.7-179151.500106
2S35.5Very low38.9Very low104 Ų104141.6 Ų141.673%0.72782%0.82SS**  trans-118.3127-149.2-42.40000108.6
3N45.7Very low38.6Very low165 Ų165140.1 Ų140.188%0.88282%0.823SS**  trans-132105.4158.5-84.3-18.1000107.2
4M40.2Very low38.6Very low181 Ų181145.5 Ų145.589%0.89282%0.824SS**  trans-75.9121.5177-76.2178165.700109.3
5T42.2Very low38.5Very low141 Ų141150.9 Ų150.987%0.86583%0.827SS**  trans-89.6100.5169.5-48.20000108S7T5-S7 PolarHBondContact O-N 2.95Å
6T40.7Very low38.1Very low115 Ų115154.3 Ų154.371%0.70683%0.83SS**  trans-87.2102.3177.2-300000109.2
7S38.2Very low37.8Very low105 Ų105151.5 Ų151.573%0.73482%0.82SS**  trans-78.7112.9167.653.20000109.4T5 S9T5-S7 PolarHBondContact O-N 2.95Å; S7-S9 PolarHBondContact O-N 2.81Å
8Y40.6Very low37.6Very low216 Ų216150.7 Ų150.785%0.84782%0.821SS**  trans-76.1104.5168.2-101.8-96.6000109.3
9S32.9Very low37.4Very low107 Ų107148.7 Ų148.775%0.74882%0.815SS**  trans-94.595.4164.267.70000109S7 S11S7-S9 PolarHBondContact O-N 2.81Å; S9-S11 PolarHBondContact O-N 3.14Å
10S37.8Very low37.2Very low108 Ų108147.1 Ų147.176%0.75581%0.81SS**  trans-9190.9169.9390000109.6S12S10-S12 PolarHBondContact O-N 2.92Å
11S31.6Very low37.5Very low119 Ų119146.3 Ų146.383%0.83281%0.809SS**  trans-73.996.9165.5-66.70000109S9S9-S11 PolarHBondContact O-N 3.14Å
12S36.9Very low37.3Very low91 Ų91142.5 Ų142.564%0.63679%0.788SS**  trans-93.9103.6168.4-1550000109.1S10 Y14S10-S12 PolarHBondContact O-N 2.92Å; S12-Y14 PolarHBondContact O-N 2.73Å; S12-Y14 VanDerWaalsContact O-N 3.15Å
13S34.4Very low37.4Very low122 Ų122146 Ų14685%0.85379%0.793SS**  trans-68.2101.7170.9-83.70000109.7R15S13-R15 PolarHBondContact O-N 2.83Å
14Y38.1Very low37.3Very low216 Ų216144.6 Ų144.685%0.84779%0.79SS**  trans-73113.4167-80.2-86.3000109.9S12 K16S12-Y14 PolarHBondContact O-N 2.73Å; S12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-K16 PolarHBondContact O-N 3.38Å
15R37.6Very low37.4Very low227 Ų227146.3 Ų146.386%0.85779%0.788SS**  trans-71.6115.5167.8-159.4179.1-161.4179.84.3107.5S13 T17S13-R15 PolarHBondContact O-N 2.83Å; R15-T17 PolarHBondContact O-N 3.25Å
16K32Very low37.3Very low204 Ų204145.2 Ų145.289%0.88779%0.786SS**  trans-60.7105169.4-83.8179.3173.1-179.40108.8Y14Y14-K16 PolarHBondContact O-N 3.38Å
17T33.7Very low37.3Very low107 Ų107143.1 Ų143.166%0.65679%0.787SS**  trans-98.2108.9162.850.10000107.9R15 T19R15-T17 PolarHBondContact O-N 3.25Å; T17-T19 PolarHBondContact O-N 3.1Å; T17-T19 VanDerWaalsContact O-N 3.14Å
18T33.9Very low37.5Very low137 Ų137148.8 Ų148.884%0.8479%0.794SS**  trans-71.896.3167.1-420000107
19T34.3Very low37.4Very low113 Ų113150 Ų15069%0.69380%0.797SS**  trans-91.7108.2175.3-59.30000108.4T17 T21T17-T19 PolarHBondContact O-N 3.1Å; T17-T19 VanDerWaalsContact O-N 3.14Å; T19-T21 PolarHBondContact O-N 3.42Å; T19-T21 VanDerWaalsContact O-N 3.16Å
20T33.1Very low37.7Very low117 Ų117155.5 Ų155.572%0.71881%0.808SS**  trans-61.9108169.1-48.30000108.9H22T20-H22 HydrophobicContact CG2-CB 4.27Å; T20-H22 PolarHBondContact O-N 2.62Å; T20-H22 VanDerWaalsContact O-N 3.11Å
21T42.1Very low37.9Very low131 Ų131153.3 Ų153.380%0.80480%0.802SS**  trans-73.788.617246.80000109.1T19T19-T21 PolarHBondContact O-N 3.42Å; T19-T21 VanDerWaalsContact O-N 3.16Å
22H40.9Very low38.2Very low166 Ų166153.3 Ų153.377%0.76980%0.802SS**  trans-138.90.6177.2-124.5-68.4000117.2T20T20-H22 HydrophobicContact CG2-CB 4.27Å; T20-H22 PolarHBondContact O-N 2.62Å; T20-H22 VanDerWaalsContact O-N 3.11Å
23E39.2Very low38.7Very low178 Ų178157 Ų15783%0.83281%0.811SS**SBendtrans-131.33.5-165.1-65.8-168.6158.800117.9
24V42.3Very low39.4Very low135 Ų135156.7 Ų156.782%0.81880%0.804SS**SBendtrans-90.7-9.5-171.7-171.70000114.8
25Y43.1Very low40.2Very low218 Ų218151 Ų15186%0.85579%0.792SS**SBendtrans-120.69.8-174.2-79.5-84.6000117.2G27Y25-G27 VanDerWaalsContact C-N 3.28Å; Y25-G27 PolarHBondContact O-N 3.26Å; Y25-G27 VanDerWaalsContact O-N 3.16Å
26S40Very low41.3Very low118 Ų118146.2 Ų146.283%0.82578%0.778SS**THydrogen-bonded Turntrans-78.37.9-175.1-1780000116.1
27G40.4Very low42.6Very low70 Ų70141.2 Ų141.272%0.72276%0.76SS**THydrogen-bonded Turntrans-94.7-9.2-162.100000118.6Y25 R29Y25-G27 VanDerWaalsContact C-N 3.28Å; Y25-G27 PolarHBondContact O-N 3.26Å; Y25-G27 VanDerWaalsContact O-N 3.16Å; G27-R29 PolarHBondContact O-N 2.9Å
28Y41.9Very low44.3Very low224 Ų224146.4 Ų146.488%0.87877%0.769SS**  trans-86.9118.3-172.3-82.8-89000112.8K30Y28-K30 PolarHBondContact O-N 3.36Å
29R40Very low46.1Very low241 Ų241142.6 Ų142.691%0.90976%0.756SS**  trans-44.8130.6177.4-71-175.4-177-175.91.7112.3G27 G31G27-R29 PolarHBondContact O-N 2.9Å; R29-G31 PolarHBondContact O-N 3.03Å
30K39.4Very low47.9Very low224 Ų224142.5 Ų142.597%0.97475%0.746SS**  trans-5393.8161.8-86.2176.8172.4172.80110.1Y28Y28-K30 PolarHBondContact O-N 3.36Å
31G40.4Very low49.8Very low61 Ų61139.9 Ų139.963%0.62973%0.728SS**  trans-143.570.617800000110.3R29 M33R29-G31 PolarHBondContact O-N 3.03Å; G31-M33 PolarHBondContact O-N 3.08Å
32S37.7Very low51Low120 Ų120138 Ų13884%0.83971%0.713SS**SBendtrans28.975.9148.7-172.90000118.2
33M47.8Very low52.5Low167 Ų167133.3 Ų133.382%0.82370%0.699SS**  trans-150.7106143.7-80.6-61.7-85.700106.1G31 T35G31-M33 PolarHBondContact O-N 3.08Å; M33-T35 VanDerWaalsContact C-N 3.35Å; M33-T35 PolarHBondContact O-N 3.14Å
34T49.5Very low54Low117 Ų117129.6 Ų129.672%0.71868%0.681SS**  trans-73.392175.250.10000108.2K36T34-K36 PolarHBondContact O-N 3.46Å
35T55.3Low55.3Low95 Ų95127.1 Ų127.158%0.58366%0.658SS**PPolyproline II helixtrans-68.6120.2168.4430000107.2M33 L42M33-T35 VanDerWaalsContact C-N 3.35Å; M33-T35 PolarHBondContact O-N 3.14Å; T35-L42 WeakPolarHBondContact O-CD1 3.4Å
36K59.3Low56.6Low128 Ų128124.5 Ų124.556%0.55765%0.654SS**EExtended strand (participates in β ladder)trans-97.4126.2173.5-66.3-165.5173.9-162.40108.3T34 K40 D41T34-K36 PolarHBondContact O-N 3.46Å; K36-K40 WeakPolarHBondContact CA-O 3.47Å; K36-D41 WeakPolarHBondContact CE-OD1 3.4Å
37L59.7Low58.2Low98 Ų98126.1 Ų126.151%0.51365%0.653SS.*EExtended strand (participates in β ladder)trans-101.6124.1170.3-159.671.4000107.1G39 K40 L42 Y45L37-G39 PolarHBondContact O-N 3.4Å; L37-K40 PolarHBondContact N-O 3.32Å; L37-K40 VanDerWaalsContact N-O 3.17Å; L37-K40 PolarHBondContact O-N 3.19Å; L37-K40 VanDerWaalsContact O-N 3.1Å; L37-L42 HydrophobicContact CB-CD1 4.39Å; L37-Y45 HydrophobicContact CB-CE2 4.2Å; L37-Y45 PolarHBondContact O-OH 3.32Å
38Y69.3Low59.7Low217 Ų217126 Ų12685%0.85164%0.635SS**THydrogen-bonded Turntrans49.231.4-173.7-70-83.7000115.7K40Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.23Å
39G72.6Confident61.4Low56 Ų56120 Ų12058%0.57762%0.618SS**THydrogen-bonded Turntrans82.50.2176.900000115.5L37L37-G39 PolarHBondContact O-N 3.4Å
40K70.9Confident63.3Low111 Ų111114.2 Ų114.248%0.48360%0.604SS.*EExtended strand (participates in β ladder)trans-106.5152.3174.1-70.1176.4168.2-167.20111.2K36 L37 Y38 E44 Y45K36-K40 WeakPolarHBondContact CA-O 3.47Å; L37-K40 PolarHBondContact N-O 3.32Å; L37-K40 VanDerWaalsContact N-O 3.17Å; L37-K40 PolarHBondContact O-N 3.19Å; L37-K40 VanDerWaalsContact O-N 3.1Å; Y38-K40 VanDerWaalsContact C-N 3.31Å; Y38-K40 PolarHBondContact O-N 3.23Å; K40-E44 WeakPolarHBondContact CD-OE2 3.43Å; K40-E44 VanDerWaalsContact CG-OE2 3.31Å; K40-E44 WeakPolarHBondContact CG-OE2 3.24Å; K40-Y45 HydrophobicContact CB-CE2 3.72Å
41D72.9Confident65Low62 Ų62108.9 Ų108.933%0.33259%0.586SS.*EExtended strand (participates in β ladder)trans-72.3141.5175.9-72.6-27.5000109.8K36 S43 E44K36-D41 WeakPolarHBondContact CE-OD1 3.4Å; D41-S43 PolarHBondContact O-N 3.01Å; D41-E44 WeakPolarHBondContact O-CB 3.37Å; D41-E44 PolarHBondContact O-N 3.09Å
42L69Low66.9Low92 Ų92108.5 Ų108.548%0.48257%0.574SS.*THydrogen-bonded Turntrans-53.5-31-174.9-102.781000113.6T35 L37 E44 Y45 E46T35-L42 WeakPolarHBondContact O-CD1 3.4Å; L37-L42 HydrophobicContact CB-CD1 4.39Å; L42-E44 PolarHBondContact O-N 3.31Å; L42-Y45 PolarHBondContact O-N 3.37Å; L42-E46 PolarHBondContact O-N 2.89Å
43S72.3Confident68.8Low68 Ų68106.5 Ų106.548%0.47655%0.553SS.*Hα-helixtrans-60.5-27.6176.749.90000113.4D41 Y45 E46D41-S43 PolarHBondContact O-N 3.01Å; S43-Y45 PolarHBondContact O-N 2.96Å; S43-E46 PolarHBondContact O-N 3.28Å
44E70.8Confident70.1Confident100 Ų100101.8 Ų101.847%0.46753%0.531SS..Hα-helixtrans-71.6-17.2176-65.3-175.4-165.100112.9K40 D41 L42 I48K40-E44 WeakPolarHBondContact CD-OE2 3.43Å; K40-E44 VanDerWaalsContact CG-OE2 3.31Å; K40-E44 WeakPolarHBondContact CG-OE2 3.24Å; D41-E44 WeakPolarHBondContact O-CB 3.37Å; D41-E44 PolarHBondContact O-N 3.09Å; L42-E44 PolarHBondContact O-N 3.31Å; E44-I48 WeakPolarHBondContact O-CG1 3.45Å
45Y69.9Low71.6Confident82 Ų82102 Ų10232%0.32253%0.533SS..Hα-helixtrans-93-18.8177-63.5-84.2000112.9L37 K40 L42 S43 D47 I48L37-Y45 HydrophobicContact CB-CE2 4.2Å; L37-Y45 PolarHBondContact O-OH 3.32Å; K40-Y45 HydrophobicContact CB-CE2 3.72Å; L42-Y45 PolarHBondContact O-N 3.37Å; S43-Y45 PolarHBondContact O-N 2.96Å; Y45-D47 VanDerWaalsContact C-N 3.33Å; Y45-I48 HydrophobicContact CD1-CD1 3.76Å; Y45-I48 HydrophobicContact CE1-CD1 4.47Å; Y45-I48 HydrophobicContact CG-CD1 4.41Å
46E69.6Low72.9Confident164 Ų164105 Ų10577%0.76654%0.538SS*.Hα-helixtrans-68.6-30.9175.7-80.5-177.7148.800112.4L42 S43L42-E46 PolarHBondContact O-N 2.89Å; S43-E46 PolarHBondContact O-N 3.28Å
47D72.6Confident73.7Confident151 Ų151101.7 Ų101.781%0.80753%0.525SS*.THydrogen-bonded Turntrans-90.62.9-177.1-67.2-32.7000114Y45 D49Y45-D47 VanDerWaalsContact C-N 3.33Å; D47-D49 PolarHBondContact O-N 3.35Å
48I73.4Confident74.9Confident67 Ų67100.1 Ų100.134%0.34452%0.52SS..SBendtrans-82.3119.2-179.3-52.1175.8000109.2E44 Y45 I50 L53E44-I48 WeakPolarHBondContact O-CG1 3.45Å; Y45-I48 HydrophobicContact CD1-CD1 3.76Å; Y45-I48 HydrophobicContact CE1-CD1 4.47Å; Y45-I48 HydrophobicContact CG-CD1 4.41Å; I48-I50 PolarHBondContact O-N 2.98Å; I48-L53 HydrophobicContact CB-CD1 4.07Å; I48-L53 HydrophobicContact CG2-CD1 3.47Å; I48-L53 VanDerWaalsContact CG2-CD1 3.47Å; I48-L53 HydrophobicContact CG2-CD2 4.06Å; I48-L53 HydrophobicContact CG2-CG 3.6Å
49D78.1Confident75.5Confident99 Ų9995.1 Ų95.153%0.52951%0.514SS..  trans-55.7113.5174.8-176.58.7000111D47 D51 S52 L53D47-D49 PolarHBondContact O-N 3.35Å; D49-D51 PolarHBondContact O-N 3.32Å; D49-D51 PolarHBondContact OD1-N 3.16Å; D49-S52 WeakPolarHBondContact O-CB 3.4Å; D49-S52 PolarHBondContact O-N 3.33Å; D49-S52 VanDerWaalsContact O-N 3.1Å; D49-L53 PolarHBondContact O-N 3.37Å; D49-L53 VanDerWaalsContact O-N 3.16Å
50I78.3Confident75.7Confident120 Ų12099.6 Ų99.662%0.61552%0.52SS*.Hα-helixtrans-60.1-39.4-175.4-59.4170.6000109.9I48 S52 L53 L54I48-I50 PolarHBondContact O-N 2.98Å; I50-S52 VanDerWaalsContact C-N 3.29Å; I50-S52 PolarHBondContact O-N 2.89Å; I50-L53 WeakPolarHBondContact O-CB 3.32Å; I50-L53 PolarHBondContact O-N 3.49Å; I50-L53 VanDerWaalsContact O-N 3.16Å; I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 HydrophobicContact CG2-CG 4.25Å; I50-L54 VanDerWaalsContact O-CG 3.31Å; I50-L54 WeakPolarHBondContact O-CG 3.39Å; I50-L54 PolarHBondContact O-N 3.37Å
51D75.5Confident76.1Confident111 Ų11198.5 Ų98.559%0.59452%0.517SS*.Hα-helixtrans-67.1-33.7-179.5-68.8-31.4000111.3D49 L54 T55D49-D51 PolarHBondContact O-N 3.32Å; D49-D51 PolarHBondContact OD1-N 3.16Å; D51-L54 PolarHBondContact O-N 3.14Å; D51-T55 WeakPolarHBondContact O-CB 3.4Å; D51-T55 PolarHBondContact O-N 3.05Å; D51-T55 PolarHBondContact O-OG1 3.22Å
52S81.4Confident76.3Confident53 Ų5398.8 Ų98.837%0.37152%0.518SS..Hα-helixtrans-69.3-32.5174.4-165.60000112.8D49 I50 K56D49-S52 WeakPolarHBondContact O-CB 3.4Å; D49-S52 PolarHBondContact O-N 3.33Å; D49-S52 VanDerWaalsContact O-N 3.1Å; I50-S52 VanDerWaalsContact C-N 3.29Å; I50-S52 PolarHBondContact O-N 2.89Å; S52-K56 WeakPolarHBondContact O-CG 3.5Å
53L77.6Confident76.5Confident79 Ų7999.9 Ų99.941%0.41452%0.521SS..Hα-helixtrans-72.3-46.1172.8-75.4167.8000111.4I48 D49 I50 T55 K56 L57I48-L53 HydrophobicContact CB-CD1 4.07Å; I48-L53 HydrophobicContact CG2-CD1 3.47Å; I48-L53 VanDerWaalsContact CG2-CD1 3.47Å; I48-L53 HydrophobicContact CG2-CD2 4.06Å; I48-L53 HydrophobicContact CG2-CG 3.6Å; D49-L53 PolarHBondContact O-N 3.37Å; D49-L53 VanDerWaalsContact O-N 3.16Å; I50-L53 WeakPolarHBondContact O-CB 3.32Å; I50-L53 PolarHBondContact O-N 3.49Å; I50-L53 VanDerWaalsContact O-N 3.16Å; L53-T55 PolarHBondContact O-N 2.67Å; L53-K56 PolarHBondContact O-N 3.09Å; L53-L57 PolarHBondContact O-N 2.91Å
54L74.9Confident76.6Confident67 Ų67103.1 Ų103.135%0.35153%0.528SS..Hα-helixtrans-60.8-33.2178-69.7172.9000112.2I50 D51 K56 L57 L62I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 HydrophobicContact CG2-CG 4.25Å; I50-L54 VanDerWaalsContact O-CG 3.31Å; I50-L54 WeakPolarHBondContact O-CG 3.39Å; I50-L54 PolarHBondContact O-N 3.37Å; D51-L54 PolarHBondContact O-N 3.14Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 2.81Å; L54-L57 PolarHBondContact O-N 3.15Å; L54-L62 HydrophobicContact CD2-CD2 4.15Å
55T79.9Confident76.9Confident123 Ų123102.5 Ų102.576%0.75553%0.527SS*.THydrogen-bonded Turntrans-71.9-21.5177.4-48.70000113.1D51 L53D51-T55 WeakPolarHBondContact O-CB 3.4Å; D51-T55 PolarHBondContact O-N 3.05Å; D51-T55 PolarHBondContact O-OG1 3.22Å; L53-T55 PolarHBondContact O-N 2.67Å
56K82.7Confident77Confident158 Ų158104.2 Ų104.269%0.68754%0.542SS*.THydrogen-bonded Turntrans-88-19.1178.9-70.5172.7-172.5169.90113.4S52 L53 L54S52-K56 WeakPolarHBondContact O-CG 3.5Å; L53-K56 PolarHBondContact O-N 3.09Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 2.81Å
57L76.5Confident76.9Confident57 Ų5799.9 Ų99.930%0.29852%0.524SS..SBendtrans-76.1137178.4-83.3143.7000110.5L53 L54 E61 L62L53-L57 PolarHBondContact O-N 2.91Å; L54-L57 PolarHBondContact O-N 3.15Å; L57-E61 HydrophobicContact CD2-CB 3.39Å; L57-E61 HydrophobicContact CD2-CG 4.27Å; L57-L62 HydrophobicContact CB-CD1 3.93Å; L57-L62 HydrophobicContact CB-CG 4.14Å
58T85.2Confident76.7Confident66 Ų66100.5 Ų100.541%0.40552%0.522SS..  trans-69.7155.7172.460.20000110.2E60 E61 L62T58-E60 PolarHBondContact O-N 3.26Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-E61 WeakPolarHBondContact CB-OE2 2.97Å; T58-E61 PolarHBondContact N-OE2 3.08Å; T58-E61 PolarHBondContact O-N 2.69Å; T58-E61 VanDerWaalsContact O-N 3.13Å; T58-E61 VanDerWaalsContact OG1-CG 3.24Å; T58-E61 WeakPolarHBondContact OG1-CG 3.29Å; T58-E61 PolarHBondContact OG1-N 3.13Å; T58-E61 PolarHBondContact OG1-OE2 3.26Å; T58-L62 PolarHBondContact O-N 2.92Å
59P80.7Confident76.4Confident111 Ų111101 Ų10172%0.72153%0.528SS*.Hα-helixtrans-58.7-26.9179.222.9-34.2000113.4E63P59-E63 PolarHBondContact O-N 3.31Å
60E77.6Confident75.5Confident150 Ų150101.3 Ų101.370%0.70153%0.53SS*.Hα-helixtrans-71.5-44.5175.5-67.2179.6174.800111.7T58 L62 E63 E64T58-E60 PolarHBondContact O-N 3.26Å; T58-E60 VanDerWaalsContact O-N 3.14Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 2.92Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.18Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E60-E64 PolarHBondContact O-N 3.07Å; E60-E64 VanDerWaalsContact O-N 3.07Å
61E79.1Confident74.7Confident89 Ų8999.7 Ų99.742%0.41653%0.527SS..Hα-helixtrans-68.9-31.5177.7-65.5164.2139.300112.3L57 T58 E63 E64 L65L57-E61 HydrophobicContact CD2-CB 3.39Å; L57-E61 HydrophobicContact CD2-CG 4.27Å; T58-E61 WeakPolarHBondContact CB-OE2 2.97Å; T58-E61 PolarHBondContact N-OE2 3.08Å; T58-E61 PolarHBondContact O-N 2.69Å; T58-E61 VanDerWaalsContact O-N 3.13Å; T58-E61 VanDerWaalsContact OG1-CG 3.24Å; T58-E61 WeakPolarHBondContact OG1-CG 3.29Å; T58-E61 PolarHBondContact OG1-N 3.13Å; T58-E61 PolarHBondContact OG1-OE2 3.26Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E64 PolarHBondContact O-N 3.37Å; E61-L65 WeakPolarHBondContact O-CB 3.47Å; E61-L65 PolarHBondContact O-N 3.29Å
62L77.3Confident74Confident68 Ų68100.1 Ų100.136%0.35653%0.53SS..Hα-helixtrans-63.2-35.9170.3-95.1136.6000112.1L54 L57 T58 E60 N66L54-L62 HydrophobicContact CD2-CD2 4.15Å; L57-L62 HydrophobicContact CB-CD1 3.93Å; L57-L62 HydrophobicContact CB-CG 4.14Å; T58-L62 PolarHBondContact O-N 2.92Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 2.92Å; L62-N66 WeakPolarHBondContact O-CB 3.38Å; L62-N66 PolarHBondContact O-N 3.27Å; L62-N66 VanDerWaalsContact O-N 3.12Å
63E73Confident73.3Confident115 Ų115100.1 Ų100.154%0.53753%0.525SS..Hα-helixtrans-71.8-39.2176.6-169.6174.5-177.700111.6P59 E60 E61 N66 N67P59-E63 PolarHBondContact O-N 3.31Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.18Å; E60-E63 VanDerWaalsContact O-N 3.12Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E63-N66 PolarHBondContact O-N 2.95Å; E63-N67 PolarHBondContact O-N 3.36Å; E63-N67 PolarHBondContact O-ND2 2.83Å
64E75.5Confident72.9Confident136 Ų136101.1 Ų101.164%0.63654%0.539SS*.Hα-helixtrans-61.1-47.2172.2-72.5-174.7173.300111.8E60 E61 N66 N67 E68E60-E64 PolarHBondContact O-N 3.07Å; E60-E64 VanDerWaalsContact O-N 3.07Å; E61-E64 PolarHBondContact O-N 3.37Å; E64-N66 VanDerWaalsContact C-N 3.27Å; E64-N66 PolarHBondContact O-N 3.25Å; E64-N67 WeakPolarHBondContact O-CB 3.45Å; E64-N67 PolarHBondContact O-N 2.82Å; E64-E68 PolarHBondContact O-N 2.8Å
65L76Confident72.7Confident86 Ų86105.5 Ų105.545%0.4556%0.562SS.*Hα-helixtrans-61.7-36.8178.5-171.664.7000112.1E61 N67 E68E61-L65 WeakPolarHBondContact O-CB 3.47Å; E61-L65 PolarHBondContact O-N 3.29Å; L65-N67 VanDerWaalsContact C-N 3.26Å; L65-N67 PolarHBondContact O-N 3.01Å; L65-E68 PolarHBondContact O-N 3.4Å
66N71.3Confident72Confident119 Ų119102.8 Ų102.864%0.63654%0.542SS*.Hα-helixtrans-67.3-25.9175.3-170.558.4000112.8L62 E63 E64L62-N66 WeakPolarHBondContact O-CB 3.38Å; L62-N66 PolarHBondContact O-N 3.27Å; L62-N66 VanDerWaalsContact O-N 3.12Å; E63-N66 PolarHBondContact O-N 2.95Å; E64-N66 VanDerWaalsContact C-N 3.27Å; E64-N66 PolarHBondContact O-N 3.25Å
67N67.8Low71.3Confident73 Ų7398.1 Ų98.139%0.3953%0.528SS..Hα-helixtrans-77.5-19.8175.9-69.1-49.2000113.3E63 E64 L65 R83E63-N67 PolarHBondContact O-N 3.36Å; E63-N67 PolarHBondContact O-ND2 2.83Å; E64-N67 WeakPolarHBondContact O-CB 3.45Å; E64-N67 PolarHBondContact O-N 2.82Å; L65-N67 VanDerWaalsContact C-N 3.26Å; L65-N67 PolarHBondContact O-N 3.01Å; N67-R83 PolarHBondContact OD1-NH1 3.39Å; N67-R83 PolarHBondContact OD1-NH2 3.49Å
68E69.3Low70.9Confident164 Ų164100.1 Ų100.177%0.76655%0.545SS*.SBendtrans-87.5-8.1178-67.4-171.216800113.5E64 L65E64-E68 PolarHBondContact O-N 2.8Å; L65-E68 PolarHBondContact O-N 3.4Å
69V66Low70.1Confident76 Ų76101.7 Ų101.746%0.46156%0.558SS.*SBendtrans-78.9123.3175.8-178.10000109.7
70D60.9Low69.4Low106 Ų106102.2 Ų102.257%0.56755%0.551SS**  trans-49.5123.5-173.6-156.2-21.8000112.5D72 N73D70-D72 PolarHBondContact O-N 3.31Å; D70-D72 PolarHBondContact OD1-N 3.39Å; D70-N73 WeakPolarHBondContact O-CB 3.47Å; D70-N73 PolarHBondContact O-N 2.86Å; D70-N73 VanDerWaalsContact O-N 3.07Å
71P60.5Low69Low86 Ų8698.8 Ų98.856%0.55853%0.532SS*.THydrogen-bonded Turntrans-58.1-18.6177.522.8-34.6000113.1N73 R81P71-N73 VanDerWaalsContact C-N 3.33Å; P71-N73 PolarHBondContact O-N 3.32Å; P71-R81 WeakPolarHBondContact O-CB 3.42Å
72D61.4Low68.2Low121 Ų12199.1 Ų99.165%0.64754%0.543SS*.THydrogen-bonded Turntrans-90.617.7177.8-79.3-20.8000114.6D70 S74D70-D72 PolarHBondContact O-N 3.31Å; D70-D72 PolarHBondContact OD1-N 3.39Å; D72-S74 PolarHBondContact O-N 3.48Å
73N66.2Low67.3Low52 Ų52103.6 Ų103.628%0.27856%0.555SS.*  trans-58.1108.3178.1-171-0.3000112.3D70 P71 L75 L76 R81D70-N73 WeakPolarHBondContact O-CB 3.47Å; D70-N73 PolarHBondContact O-N 2.86Å; D70-N73 VanDerWaalsContact O-N 3.07Å; P71-N73 VanDerWaalsContact C-N 3.33Å; P71-N73 PolarHBondContact O-N 3.32Å; N73-L75 PolarHBondContact O-N 2.88Å; N73-L75 VanDerWaalsContact O-N 3.12Å; N73-L75 WeakPolarHBondContact OD1-CB 3.3Å; N73-L75 PolarHBondContact OD1-N 2.92Å; N73-L76 PolarHBondContact O-N 2.94Å; N73-R81 PolarHBondContact O-NE 2.72Å
74S69.1Low66.7Low100 Ų100105.6 Ų105.670%0.69957%0.569SS**THydrogen-bonded Turntrans-65.5-14.7-177.2-80.10000114.4D72 R81D72-S74 PolarHBondContact O-N 3.48Å; S74-R81 PolarHBondContact O-NH2 3.28Å
75L71Confident65.9Low159 Ų159107.1 Ų107.183%0.83258%0.576SS**THydrogen-bonded Turntrans-82.1-16.8178.1-68.6163.3000113.5N73N73-L75 PolarHBondContact O-N 2.88Å; N73-L75 VanDerWaalsContact O-N 3.12Å; N73-L75 WeakPolarHBondContact OD1-CB 3.3Å; N73-L75 PolarHBondContact OD1-N 2.92Å
76L65.1Low65.3Low66 Ų66107.9 Ų107.935%0.34659%0.585SS.*SBendtrans-95.6141.7176.1-67.3174.6000110.7N73 Q80 R81N73-L76 PolarHBondContact O-N 2.94Å; L76-Q80 HydrophobicContact CB-CB 4.5Å; L76-R81 HydrophobicContact CB-CG 4.28Å; L76-R81 VanDerWaalsContact O-CZ 3.3Å; L76-R81 PolarHBondContact O-NE 2.81Å; L76-R81 PolarHBondContact O-NH2 3Å
77P66.9Low65.1Low60 Ų60109.1 Ų109.139%0.3960%0.597SS.*  trans-63150173.825.8-32.4000110.6S79 Q80 R81P77-S79 PolarHBondContact O-N 3.21Å; P77-Q80 HydrophobicContact CG-CB 4.22Å; P77-Q80 HydrophobicContact CG-CG 4.06Å; P77-Q80 PolarHBondContact O-N 2.88Å; P77-R81 PolarHBondContact O-N 2.7Å
78P69Low65.3Low100 Ų100112.8 Ų112.865%0.64961%0.609SS**Hα-helixtrans-53.4-31.1-173.2-28.835.2000115Q80 R81P78-Q80 PolarHBondContact O-N 3.4Å; P78-R81 PolarHBondContact O-N 3.25Å
79S67.6Low65.4Low98 Ų98113.8 Ų113.869%0.68561%0.611SS**Hα-helixtrans-69.6-17.917860.90000114.5P77P77-S79 PolarHBondContact O-N 3.21Å
80Q66Low65.6Low123 Ų123116.6 Ų116.658%0.57563%0.631SS**Hα-helixtrans-107.1-4.1179.9-67.9177.7-6.400112.7L76 P77 P78L76-Q80 HydrophobicContact CB-CB 4.5Å; P77-Q80 HydrophobicContact CG-CB 4.22Å; P77-Q80 HydrophobicContact CG-CG 4.06Å; P77-Q80 PolarHBondContact O-N 2.88Å; P78-Q80 PolarHBondContact O-N 3.4Å
81R70.2Confident65.9Low77 Ų77117.8 Ų117.829%0.29164%0.642SS.*Hα-helixtrans-76.1-30174.3-69.1-174.9-163.7-158.30.5112P71 N73 S74 L76 P77 P78P71-R81 WeakPolarHBondContact O-CB 3.42Å; N73-R81 PolarHBondContact O-NE 2.72Å; S74-R81 PolarHBondContact O-NH2 3.28Å; L76-R81 HydrophobicContact CB-CG 4.28Å; L76-R81 VanDerWaalsContact O-CZ 3.3Å; L76-R81 PolarHBondContact O-NE 2.81Å; L76-R81 PolarHBondContact O-NH2 3Å; P77-R81 PolarHBondContact O-N 2.7Å; P78-R81 PolarHBondContact O-N 3.25Å
82C62.5Low66.5Low96 Ų96116.7 Ų116.765%0.64965%0.647SS**SBendtrans-87130.8175.3-61.80000110.1D84C82-D84 PolarHBondContact O-N 3.05Å
83R58.7Low67.3Low163 Ų163116.7 Ų116.762%0.61565%0.654SS**  trans-56.2125.4173.1-172.8174.1178.9156.23.4110.4N67 Q85N67-R83 PolarHBondContact OD1-NH1 3.39Å; N67-R83 PolarHBondContact OD1-NH2 3.49Å; R83-Q85 VanDerWaalsContact C-N 3.32Å; R83-Q85 HydrophobicContact CB-CG 4.19Å; R83-Q85 HydrophobicContact CG-CG 4.22Å; R83-Q85 VanDerWaalsContact O-CG 3.3Å; R83-Q85 WeakPolarHBondContact O-CG 3.31Å; R83-Q85 PolarHBondContact O-N 3.49Å
84D60Low68.1Low156 Ų156121.8 Ų121.883%0.83467%0.673SS**  trans-66.493.8162.5-83.5-25.8000107.8C82 T86C82-D84 PolarHBondContact O-N 3.05Å; D84-T86 PolarHBondContact O-N 3.3Å
85Q59.2Low68.7Low168 Ų168119.7 Ų119.779%0.78566%0.659SS**  trans-75.514.3-168.3-60.7-162.40.200114.8R83R83-Q85 VanDerWaalsContact C-N 3.32Å; R83-Q85 HydrophobicContact CB-CG 4.19Å; R83-Q85 HydrophobicContact CG-CG 4.22Å; R83-Q85 VanDerWaalsContact O-CG 3.3Å; R83-Q85 WeakPolarHBondContact O-CG 3.31Å; R83-Q85 PolarHBondContact O-N 3.49Å
86T63.4Low69.4Low102 Ų102120.6 Ų120.663%0.62665%0.651SS**  trans-141124.7-174.974.10000113.7D84 K88D84-T86 PolarHBondContact O-N 3.3Å; T86-K88 PolarHBondContact O-N 2.91Å
87T66.7Low70.6Confident145 Ų145124.6 Ų124.689%0.8967%0.668SS**  trans-79.13.6166.952.90000113.1
88K70.8Confident71.5Confident151 Ų151128.5 Ų128.566%0.65768%0.681SS**SBendtrans-82.1132.7-176-62.7-178.4-178.5179.10109.8T86T86-K88 PolarHBondContact O-N 2.91Å
89K72.1Confident72.4Confident184 Ų184127.3 Ų127.380%0.867%0.669SS**  trans-59.2144.7171-67.9-178.4-179.5177.30109.8T91K89-T91 PolarHBondContact O-N 3.39Å; K89-T91 PolarHBondContact O-OG1 3.42Å
90P70.3Confident73.4Confident135 Ų135126.5 Ų126.588%0.87766%0.656SS**  trans-55.8115.1-178.819.4-30.2000110.1
91T66.6Low74.6Confident131 Ų131127.2 Ų127.280%0.80466%0.657SS**  trans-102.388.2-174.6-54.50000108.9K89K89-T91 PolarHBondContact O-N 3.39Å; K89-T91 PolarHBondContact O-OG1 3.42Å
92G73.6Confident75.6Confident64 Ų64128.4 Ų128.466%0.6667%0.665SS**SBendtrans57.6-177.4167.200000117.2
93P79.3Confident76.9Confident121 Ų121127.9 Ų127.979%0.78666%0.656SS**SBendtrans-69.6141.1173.227.1-31.5000111.5S95P93-S95 PolarHBondContact O-N 2.91Å
94F81Confident78.5Confident158 Ų158126 Ų12669%0.69365%0.654SS**  trans-57.8120.5-178.3173.7-102.7000112.5R96 L99F94-R96 HydrophobicContact CE1-CB 3.99Å; F94-R96 HydrophobicContact CZ-CB 4.24Å; F94-L99 HydrophobicContact CE2-CB 4.41Å; F94-L99 HydrophobicContact CE2-CD2 3.72Å; F94-L99 HydrophobicContact CZ-CD2 4.08Å
95S82.4Confident80.1Confident56 Ų56124.3 Ų124.339%0.39264%0.641SS.*  trans-114.4102.3174.6-64.70000110.4P93 E97 Q98 L99P93-S95 PolarHBondContact O-N 2.91Å; S95-E97 VanDerWaalsContact C-N 3.27Å; S95-E97 PolarHBondContact O-N 2.83Å; S95-Q98 PolarHBondContact O-N 3.45Å; S95-Q98 VanDerWaalsContact O-N 3.1Å; S95-L99 PolarHBondContact O-N 2.96Å
96R86.8Confident81.7Confident179 Ų179121.4 Ų121.468%0.67563%0.625SS**Hα-helixtrans-51.4-41.7-176.2-178.3-179.4177.4116.60.2113.4F94 Q98 L99 L100F94-R96 HydrophobicContact CE1-CB 3.99Å; F94-R96 HydrophobicContact CZ-CB 4.24Å; R96-Q98 PolarHBondContact O-N 2.95Å; R96-L99 PolarHBondContact O-N 2.97Å; R96-L100 HydrophobicContact CG-CD1 4.11Å; R96-L100 HydrophobicContact CG-CG 4.48Å; R96-L100 WeakPolarHBondContact O-CG 3.2Å; R96-L100 PolarHBondContact O-N 3.12Å
97E89.3Confident82.8Confident149 Ų149120 Ų12070%0.69663%0.625SS**Hα-helixtrans-64.6-38-178.4-62.9-178.5-177.500112.9S95 L100 K101S95-E97 VanDerWaalsContact C-N 3.27Å; S95-E97 PolarHBondContact O-N 2.83Å; E97-L100 PolarHBondContact O-N 3.11Å; E97-K101 WeakPolarHBondContact O-CG 3.16Å; E97-K101 PolarHBondContact O-N 2.98Å; E97-K101 VanDerWaalsContact O-N 3.11Å
98Q86.8Confident83.9Confident143 Ų143119.8 Ų119.867%0.66862%0.616SS**Hα-helixtrans-69.6-38.7177-67.4-179-0.700111S95 R96 K101 F102S95-Q98 PolarHBondContact O-N 3.45Å; S95-Q98 VanDerWaalsContact O-N 3.1Å; R96-Q98 PolarHBondContact O-N 2.95Å; Q98-K101 PolarHBondContact O-N 3.24Å; Q98-F102 WeakPolarHBondContact O-CB 3.49Å; Q98-F102 PolarHBondContact O-N 2.84Å
99L86.2Confident84.9Confident75 Ų75118.1 Ų118.139%0.39362%0.615SS.*Hα-helixtrans-62.1-45.6174.3176.563.3000111.1F94 S95 R96 K101 F102 L103F94-L99 HydrophobicContact CE2-CB 4.41Å; F94-L99 HydrophobicContact CE2-CD2 3.72Å; F94-L99 HydrophobicContact CZ-CD2 4.08Å; S95-L99 PolarHBondContact O-N 2.96Å; R96-L99 PolarHBondContact O-N 2.97Å; L99-K101 PolarHBondContact O-N 3.35Å; L99-F102 PolarHBondContact O-N 3.32Å; L99-L103 HydrophobicContact CD1-CD1 4.03Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.46Å; L99-L103 HydrophobicContact CG-CD1 3.91Å; L99-L103 HydrophobicContact CG-CG 4.31Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.23Å; L99-L103 PolarHBondContact O-N 2.75Å
100L89.1Confident85.6Confident80 Ų80115.1 Ų115.142%0.41960%0.603SS.*Hα-helixtrans-60-47.8179-72.2170.8000111.5R96 E97 F102 L103 E104R96-L100 HydrophobicContact CG-CD1 4.11Å; R96-L100 HydrophobicContact CG-CG 4.48Å; R96-L100 WeakPolarHBondContact O-CG 3.2Å; R96-L100 PolarHBondContact O-N 3.12Å; E97-L100 PolarHBondContact O-N 3.11Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-F102 PolarHBondContact O-N 3.13Å; L100-L103 PolarHBondContact O-N 3Å; L100-E104 WeakPolarHBondContact O-CG 3.36Å; L100-E104 PolarHBondContact O-N 3.35Å
101K91.4Very high86.2Confident138 Ų138118 Ų11860%0.660%0.602SS**Hα-helixtrans-59.8-42.1175.8-72.9178-179.2175.90112.7E97 Q98 L99 E104 E105E97-K101 WeakPolarHBondContact O-CG 3.16Å; E97-K101 PolarHBondContact O-N 2.98Å; E97-K101 VanDerWaalsContact O-N 3.11Å; Q98-K101 PolarHBondContact O-N 3.24Å; L99-K101 PolarHBondContact O-N 3.35Å; K101-E104 PolarHBondContact O-N 3.47Å; K101-E105 WeakPolarHBondContact O-CB 3.39Å; K101-E105 PolarHBondContact O-N 3.27Å
102F90.6Very high86.9Confident102 Ų102119.4 Ų119.445%0.44761%0.605SS.*Hα-helixtrans-63.7-40.3176.3172.1-98.5000112.1Q98 L99 L100 K106Q98-F102 WeakPolarHBondContact O-CB 3.49Å; Q98-F102 PolarHBondContact O-N 2.84Å; L99-F102 PolarHBondContact O-N 3.32Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-F102 PolarHBondContact O-N 3.13Å; F102-K106 HydrophobicContact CE1-CD 4.3Å; F102-K106 HydrophobicContact CZ-CD 4.33Å; F102-K106 VanDerWaalsContact O-CB 3.23Å; F102-K106 WeakPolarHBondContact O-CB 3.5Å; F102-K106 PolarHBondContact O-N 2.72Å
103L90.9Very high87.1Confident86 Ų86126.8 Ų126.845%0.4561%0.613SS.*Hα-helixtrans-68.8-38.9177.8-70.7173.3000111.9L99 L100 K106 A107L99-L103 HydrophobicContact CD1-CD1 4.03Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.46Å; L99-L103 HydrophobicContact CG-CD1 3.91Å; L99-L103 HydrophobicContact CG-CG 4.31Å; L99-L103 VanDerWaalsContact O-CG 3.3Å; L99-L103 WeakPolarHBondContact O-CG 3.23Å; L99-L103 PolarHBondContact O-N 2.75Å; L100-L103 PolarHBondContact O-N 3Å; L103-K106 PolarHBondContact O-N 3.49Å; L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.16Å
104E92.1Very high87Confident123 Ų123130.1 Ų130.158%0.57562%0.618SS**Hα-helixtrans-61.4-49.3172.8-73169.9-176.200111.1L100 K101 K106 A107 I108L100-E104 WeakPolarHBondContact O-CG 3.36Å; L100-E104 PolarHBondContact O-N 3.35Å; K101-E104 PolarHBondContact O-N 3.47Å; E104-K106 VanDerWaalsContact C-N 3.35Å; E104-K106 PolarHBondContact O-N 3.35Å; E104-A107 PolarHBondContact O-N 2.99Å; E104-I108 WeakPolarHBondContact O-CD1 3.36Å; E104-I108 VanDerWaalsContact O-CG1 3.26Å; E104-I108 WeakPolarHBondContact O-CG1 3.12Å; E104-I108 PolarHBondContact O-N 2.81Å
105E93.3Very high86.7Confident120 Ų120127.6 Ų127.656%0.56161%0.608SS**Hα-helixtrans-63.6-40178.4-172.4178-176.200112.1K101 I108 N109K101-E105 WeakPolarHBondContact O-CB 3.39Å; K101-E105 PolarHBondContact O-N 3.27Å; E105-I108 PolarHBondContact O-N 3.05Å; E105-N109 WeakPolarHBondContact O-CB 3.46Å; E105-N109 PolarHBondContact O-N 3.14Å; E105-N109 VanDerWaalsContact O-N 3.1Å; E105-N109 PolarHBondContact O-ND2 3.04Å
106K92.1Very high86.2Confident107 Ų107137.1 Ų137.147%0.46564%0.635SS.*Hα-helixtrans-65.1-44.5174.9-170.4-179178.5-168.40111.2F102 L103 E104 I108 N109 E110F102-K106 HydrophobicContact CE1-CD 4.3Å; F102-K106 HydrophobicContact CZ-CD 4.33Å; F102-K106 VanDerWaalsContact O-CB 3.23Å; F102-K106 WeakPolarHBondContact O-CB 3.5Å; F102-K106 PolarHBondContact O-N 2.72Å; L103-K106 PolarHBondContact O-N 3.49Å; E104-K106 VanDerWaalsContact C-N 3.35Å; E104-K106 PolarHBondContact O-N 3.35Å; K106-I108 VanDerWaalsContact C-N 3.28Å; K106-I108 PolarHBondContact O-N 3.34Å; K106-N109 PolarHBondContact O-N 2.87Å; K106-E110 WeakPolarHBondContact CE-OE2 3.33Å; K106-E110 WeakPolarHBondContact O-CB 3.45Å; K106-E110 PolarHBondContact O-N 2.99Å
107A87.5Confident85.6Confident74 Ų74132.2 Ų132.261%0.61263%0.625SS**Hα-helixtrans-63.9-32.6178.500000112.7L103 E104L103-A107 WeakPolarHBondContact O-CB 3.44Å; L103-A107 PolarHBondContact O-N 3.16Å; E104-A107 PolarHBondContact O-N 2.99Å
108I90.1Very high84.8Confident140 Ų140129.5 Ų129.572%0.71862%0.621SS**Hα-helixtrans-72.6-36.1175.2-67.9163.5000111.7E104 E105 K106E104-I108 WeakPolarHBondContact O-CD1 3.36Å; E104-I108 VanDerWaalsContact O-CG1 3.26Å; E104-I108 WeakPolarHBondContact O-CG1 3.12Å; E104-I108 PolarHBondContact O-N 2.81Å; E105-I108 PolarHBondContact O-N 3.05Å; K106-I108 VanDerWaalsContact C-N 3.28Å; K106-I108 PolarHBondContact O-N 3.34Å
109N91.1Very high84Confident116 Ų116130.7 Ų130.762%0.6262%0.62SS**Hα-helixtrans-87.9-25.9-175.7-74.8-31.5000114E105 K106 K111E105-N109 WeakPolarHBondContact O-CB 3.46Å; E105-N109 PolarHBondContact O-N 3.14Å; E105-N109 VanDerWaalsContact O-N 3.1Å; E105-N109 PolarHBondContact O-ND2 3.04Å; K106-N109 PolarHBondContact O-N 2.87Å; N109-K111 PolarHBondContact O-N 3.02Å
110E87Confident83.5Confident120 Ų120132.4 Ų132.456%0.56163%0.626SS**SBendtrans-66.5120.6175.1-161.389-136.500108.4K106K106-E110 WeakPolarHBondContact CE-OE2 3.33Å; K106-E110 WeakPolarHBondContact O-CB 3.45Å; K106-E110 PolarHBondContact O-N 2.99Å
111K83.7Confident82.9Confident197 Ų197134 Ų13486%0.85764%0.641SS**PPolyproline II helixtrans-70.6138177.9-66.7177.4-179.6176.20109.2N109 W113N109-K111 PolarHBondContact O-N 3.02Å; K111-W113 PolarHBondContact O-N 2.82Å
112D80.1Confident82.1Confident159 Ų159131 Ų13185%0.8565%0.65SS**PPolyproline II helixtrans-54.3136.4170.1-73.4-22000109.9
113W78Confident81.2Confident220 Ų220129.7 Ų129.783%0.83365%0.65SS**PPolyproline II helixtrans-61.1145.1174.649.560.7000110.1K111 E115K111-W113 PolarHBondContact O-N 2.82Å; W113-E115 PolarHBondContact O-N 3.29Å; W113-E115 VanDerWaalsContact O-N 3.14Å
114E78.1Confident80.1Confident191 Ų191134.4 Ų134.489%0.89367%0.667SS**  trans-70.5111.3172.8-68.9-179.2-17900109.3R116E114-R116 PolarHBondContact O-N 2.78Å
115E73.6Confident78.5Confident104 Ų104136.2 Ų136.249%0.48667%0.668SS.*  trans-62.2124.5170.7-69.3-176167.600109.4W113 V117 Y119W113-E115 PolarHBondContact O-N 3.29Å; W113-E115 VanDerWaalsContact O-N 3.14Å; E115-V117 PolarHBondContact O-N 2.87Å; E115-Y119 PolarHBondContact OE2-N 2.88Å
116R72.6Confident77.3Confident256 Ų256133.4 Ų133.497%0.96667%0.672SS**SBendtrans-53.6-21.7174.3-96.3-171.1-176.4-127.43113.3E114E114-R116 PolarHBondContact O-N 2.78Å
117V74.7Confident76.3Confident76 Ų76138.4 Ų138.446%0.46169%0.694SS.*SBendtrans-140.7106.8178.1179.40000107.4E115 Y119E115-V117 PolarHBondContact O-N 2.87Å; V117-Y119 PolarHBondContact O-N 3.09Å
118P71.5Confident75.2Confident92 Ų92140.3 Ų140.360%0.59770%0.697SS**  trans-57.3128.3-177.5-24.933000112E120P118-E120 PolarHBondContact O-N 3.33Å
119Y70.3Confident73.5Confident169 Ų169144.2 Ų144.266%0.66370%0.703SS**  trans-61.5121.5169.8175.8-96.9000111.3E115 V117 P121E115-Y119 PolarHBondContact OE2-N 2.88Å; V117-Y119 PolarHBondContact O-N 3.09Å; Y119-P121 HydrophobicContact CE1-CB 3.89Å; Y119-P121 HydrophobicContact CE1-CG 4.47Å
120E75.1Confident71.6Confident111 Ų111144.2 Ų144.252%0.51971%0.707SS.*  trans-106.6116.6169.1-71.6-177.9172.200108.9P118 G122 V123P118-E120 PolarHBondContact O-N 3.33Å; E120-G122 PolarHBondContact O-N 3.14Å; E120-G122 VanDerWaalsContact O-N 3.1Å; E120-V123 HydrophobicContact CB-CB 4.39Å; E120-V123 HydrophobicContact CB-CG2 3.87Å; E120-V123 PolarHBondContact O-N 3.28Å; E120-V123 VanDerWaalsContact O-N 3.13Å
121P77.8Confident69.4Low113 Ų113143.2 Ų143.273%0.73471%0.713SS**THydrogen-bonded Turntrans-59.1118179.220.4-29.1000110.4Y119Y119-P121 HydrophobicContact CE1-CB 3.89Å; Y119-P121 HydrophobicContact CE1-CG 4.47Å
122G73.5Confident67.9Low76 Ų76141.9 Ų141.978%0.78471%0.709SS**THydrogen-bonded Turntrans111-14-179.100000115.3E120 K124E120-G122 PolarHBondContact O-N 3.14Å; E120-G122 VanDerWaalsContact O-N 3.1Å; G122-K124 PolarHBondContact O-N 3.16Å
123V72.5Confident66.3Low73 Ų73140.5 Ų140.544%0.44271%0.707SS.*  trans-9497.7178.9-174.10000110.4E120 R125E120-V123 HydrophobicContact CB-CB 4.39Å; E120-V123 HydrophobicContact CB-CG2 3.87Å; E120-V123 PolarHBondContact O-N 3.28Å; E120-V123 VanDerWaalsContact O-N 3.13Å; V123-R125 HydrophobicContact CG1-CG 3.78Å; V123-R125 PolarHBondContact O-N 2.98Å; V123-R125 VanDerWaalsContact O-N 3.1Å
124K67.5Low65.1Low185 Ų185138.1 Ų138.180%0.80470%0.703SS**  trans-72.897.3167.3-72.3-174.6179.9-178.90109.2G122 G126G122-K124 PolarHBondContact O-N 3.16Å; K124-G126 PolarHBondContact O-N 3.09Å
125R58.7Low63.5Low161 Ų161137.3 Ų137.361%0.60870%0.699SS**  trans-80.7109.6173.7-60.3-172.8-170.4-145.77.9109.2V123V123-R125 HydrophobicContact CG1-CG 3.78Å; V123-R125 PolarHBondContact O-N 2.98Å; V123-R125 VanDerWaalsContact O-N 3.1Å
126G68.5Low62.2Low62 Ų62137.6 Ų137.664%0.63971%0.708SS**SBendtrans138.2144.8-17900000111K124 V128K124-G126 PolarHBondContact O-N 3.09Å; G126-V128 PolarHBondContact O-N 2.94Å
127K70.5Confident60.6Low212 Ų212131.4 Ų131.492%0.92270%0.698SS**  trans-63127.2169.3-69.1-176.8-179.9-1790107.4W129K127-W129 PolarHBondContact O-N 2.96Å
128V63.7Low58.7Low113 Ų113133.2 Ų133.269%0.68571%0.709SS**  trans-55.7117.7166.8176.80000105.9G126 T130G126-V128 PolarHBondContact O-N 2.94Å; V128-T130 PolarHBondContact O-N 2.8Å
129W54.4Low57.2Low223 Ų223134.4 Ų134.485%0.84572%0.717SS**  trans-62.8106.2178.4-176.6-80.7000108.3K127K127-W129 PolarHBondContact O-N 2.96Å
130T51.3Low55.3Low115 Ų115132.5 Ų132.571%0.70672%0.724SS**  trans-88118162.6400000107V128 E132V128-T130 PolarHBondContact O-N 2.8Å; T130-E132 PolarHBondContact O-N 2.91Å; T130-E132 VanDerWaalsContact O-N 3.16Å
131C40.5Very low53.6Low100 Ų100134.4 Ų134.468%0.67674%0.737SS**  trans-56.6120.9166.6-87.40000108.3T133C131-T133 PolarHBondContact O-N 3.42Å
132E54Low51.8Low168 Ų168137.3 Ų137.379%0.78574%0.741SS**  trans-68.2100.5168.3-71.8178.217500108T130 K134T130-E132 PolarHBondContact O-N 2.91Å; T130-E132 VanDerWaalsContact O-N 3.16Å; E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 3.12Å
133T45.2Very low50.1Low131 Ų131139.3 Ų139.380%0.80474%0.738SS**  trans-63.496163.7-32.20000106.7C131 E135C131-T133 PolarHBondContact O-N 3.42Å; T133-E135 PolarHBondContact O-N 3.28Å
134K52.9Low48.2Very low170 Ų170143.8 Ų143.874%0.73975%0.751SS**  trans-67105.4166.9-72.5-178.9179.3176.30106.4E132 V136E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 3.12Å; K134-V136 VanDerWaalsContact C-N 3.28Å; K134-V136 PolarHBondContact O-N 3.11Å
135E45.4Very low46.7Very low173 Ų173142.4 Ų142.481%0.80875%0.753SS**  trans-57.197.7163.1-68-175.317600107.5T133 T137T133-E135 PolarHBondContact O-N 3.28Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 3.47Å
136V44.8Very low45.6Very low111 Ų111138.8 Ų138.867%0.67377%0.766SS**  trans-75.990.8167.1178.90000105.7K134 T138K134-V136 VanDerWaalsContact C-N 3.28Å; K134-V136 PolarHBondContact O-N 3.11Å; V136-T138 HydrophobicContact CG1-CG2 3.84Å; V136-T138 PolarHBondContact O-N 3.06Å
137T40.6Very low44.2Very low125 Ų125141 Ų14177%0.76777%0.771SS**  trans-66.486.4155.637.60000107.6E135 P139E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 3.47Å; T137-P139 WeakPolarHBondContact O-CD 3.28Å
138T34.1Very low42.6Very low114 Ų114140.1 Ų140.170%0.69977%0.768SS**  trans-74.8117.4162.917.80000108.4V136 T140V136-T138 HydrophobicContact CG1-CG2 3.84Å; V136-T138 PolarHBondContact O-N 3.06Å; T138-T140 PolarHBondContact O-N 2.8Å
139P40Very low41.6Very low117 Ų117139.1 Ų139.176%0.7677%0.771SS**  trans-65.1129.6169.426.5-30.4000109.2T137 N141T137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-N141 PolarHBondContact O-N 3.39Å
140T29.6Very low41.1Very low130 Ų130134.1 Ų134.180%0.79876%0.755SS**  trans-47.1115.1166.844.10000111T138T138-T140 PolarHBondContact O-N 2.8Å
141N40.5Very low40.8Very low150 Ų150132.4 Ų132.480%0.80275%0.748SS**  trans-163.791.5144.4-91.3-22.3000108.2P139P139-N141 PolarHBondContact O-N 3.39Å
142E39Very low41.5Very low175 Ų175133.1 Ų133.182%0.81875%0.745SS**  40.1115.5125-72.5-169.3-173.900118.9
143V38Very low41.6Very low118 Ų118131.7 Ų131.772%0.71574%0.743SS**  trans96.7123.1140.2-127.50000119.8
144K33.6Very low42.2Very low167 Ų167132.3 Ų132.373%0.72674%0.741SS**  trans80.780.9151.7-48.3-174.1-175168.70116.8
145D34.8Very low42.3Very low156 Ų156126.2 Ų126.283%0.83472%0.716SS**  -167.3149111.7-94.9-24.9000108.2S147D145-S147 PolarHBondContact O-N 3.27Å
146G36.1Very low42.8Very low85 Ų85122.2 Ų122.288%0.87670%0.698SS**  trans-66.841.9-16400000117.2F148G146-F148 PolarHBondContact O-N 2.74Å
147S38.2Very low43.6Very low108 Ų108119.3 Ų119.376%0.75569%0.69SS**  trans-73.683.2164.859.90000109.4D145 A149D145-S147 PolarHBondContact O-N 3.27Å; S147-A149 PolarHBondContact O-N 3.02Å
148F36.9Very low44.8Very low194 Ų194118.4 Ų118.485%0.85168%0.68SS**  trans-67.285.6161.1-129.9-90.8000107G146 F150G146-F148 PolarHBondContact O-N 2.74Å; F148-F150 PolarHBondContact O-N 3.22Å
149A43.2Very low46.4Very low91 Ų91115 Ų11575%0.75266%0.659SS**  trans-69.486.7166.800000107S147 S151S147-A149 PolarHBondContact O-N 3.02Å; A149-S151 PolarHBondContact O-N 3.48Å
150F45.1Very low47.7Very low118 Ų118112.6 Ų112.652%0.51864%0.64SS.*  trans-69.9108.7169.2-160.4-116.3000106.7F148 L152 L155F148-F150 PolarHBondContact O-N 3.22Å; F150-L152 PolarHBondContact O-N 3.47Å; F150-L155 HydrophobicContact CD1-CD1 3.9Å; F150-L155 HydrophobicContact CE1-CB 3.95Å; F150-L155 HydrophobicContact CE1-CD1 3.11Å; F150-L155 HydrophobicContact CE1-CD2 3.52Å; F150-L155 HydrophobicContact CE1-CG 3.63Å; F150-L155 HydrophobicContact CE2-CD1 3.8Å; F150-L155 HydrophobicContact CZ-CB 4.49Å; F150-L155 HydrophobicContact CZ-CD1 3.06Å; F150-L155 HydrophobicContact CZ-CD2 3.31Å; F150-L155 HydrophobicContact CZ-CG 3.68Å
151S45.1Very low49.7Very low80 Ų80111.2 Ų111.256%0.55963%0.626SS**  trans-59.5106172.1-68.10000107.9A149 D153 D154A149-S151 PolarHBondContact O-N 3.48Å; S151-D153 PolarHBondContact O-N 2.91Å; S151-D154 PolarHBondContact O-N 3.47Å
152L55Low51.2Low115 Ų115106.9 Ų106.960%0.60261%0.612SS**G310 helixtrans-61.6-23.9-177-168.363.8000111.9F150 D154 L155 E156 V159F150-L152 PolarHBondContact O-N 3.47Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.46Å; L152-E156 PolarHBondContact O-N 3.17Å; L152-V159 HydrophobicContact CD1-CG2 4.35Å
153D56.1Low53.1Low138 Ų138102 Ų10274%0.73859%0.591SS**G310 helixtrans-65.8-28.8-175.2-66-15000113.9S151S151-D153 PolarHBondContact O-N 2.91Å
154D56.3Low54.9Low144 Ų144100.1 Ų100.177%0.7758%0.583SS**G310 helixtrans-86.8-11.7-178.6-72.6-36.8000113.2S151 L152S151-D154 PolarHBondContact O-N 3.47Å; L152-D154 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.98Å
155L55.6Low57.1Low41 Ų4198.6 Ų98.622%0.21558%0.583CS.*  trans-115.912.5-176.8-76101000114.4F150 L152 G157 D158 V159F150-L155 HydrophobicContact CD1-CD1 3.9Å; F150-L155 HydrophobicContact CE1-CB 3.95Å; F150-L155 HydrophobicContact CE1-CD1 3.11Å; F150-L155 HydrophobicContact CE1-CD2 3.52Å; F150-L155 HydrophobicContact CE1-CG 3.63Å; F150-L155 HydrophobicContact CE2-CD1 3.8Å; F150-L155 HydrophobicContact CZ-CB 4.49Å; F150-L155 HydrophobicContact CZ-CD1 3.06Å; F150-L155 HydrophobicContact CZ-CD2 3.31Å; F150-L155 HydrophobicContact CZ-CG 3.68Å; L152-L155 PolarHBondContact O-N 3.46Å; L155-G157 PolarHBondContact O-N 3.03Å; L155-D158 HydrophobicContact CB-CB 4.48Å; L155-D158 HydrophobicContact CD2-CB 4.01Å; L155-D158 PolarHBondContact O-N 3.41Å; L155-V159 HydrophobicContact CB-CG2 3.85Å; L155-V159 WeakPolarHBondContact O-CB 3.24Å; L155-V159 VanDerWaalsContact O-CG2 3.24Å; L155-V159 WeakPolarHBondContact O-CG2 3.15Å; L155-V159 PolarHBondContact O-N 3.05Å
156E56.9Low59.1Low90 Ų9092.6 Ų92.642%0.42156%0.555SS.*Hα-helixtrans-52.4-35.1-178.1-141.6177-160.200112.1L152L152-E156 PolarHBondContact O-N 3.17Å
157G60.3Low61.2Low49 Ų4992.2 Ų92.251%0.50554%0.536SS..Hα-helixtrans-75.2-37.4174.300000115.2L155 I161L155-G157 PolarHBondContact O-N 3.03Å; G157-I161 WeakPolarHBondContact O-CD1 3.29Å; G157-I161 VanDerWaalsContact O-CG1 3.31Å; G157-I161 WeakPolarHBondContact O-CG1 3.28Å
158D65.9Low63.1Low107 Ų10790.6 Ų90.657%0.57252%0.516SS*.Hα-helixtrans-80.8-30.7-176.5-72.5-15.2000111.8L155 A162L155-D158 HydrophobicContact CB-CB 4.48Å; L155-D158 HydrophobicContact CD2-CB 4.01Å; L155-D158 PolarHBondContact O-N 3.41Å; D158-A162 VanDerWaalsContact O-CB 3.25Å; D158-A162 WeakPolarHBondContact O-CB 3.5Å; D158-A162 PolarHBondContact O-N 2.66Å
159V67.7Low65.1Low41 Ų4184.3 Ų84.325%0.24849%0.491CS..Hα-helixtrans-69.5-41.8177.5179.20000110.5L152 L155 I161 A162 L163L152-V159 HydrophobicContact CD1-CG2 4.35Å; L155-V159 HydrophobicContact CB-CG2 3.85Å; L155-V159 WeakPolarHBondContact O-CB 3.24Å; L155-V159 VanDerWaalsContact O-CG2 3.24Å; L155-V159 WeakPolarHBondContact O-CG2 3.15Å; L155-V159 PolarHBondContact O-N 3.05Å; V159-I161 VanDerWaalsContact C-N 3.34Å; V159-I161 PolarHBondContact O-N 3.41Å; V159-A162 PolarHBondContact O-N 3.13Å; V159-L163 HydrophobicContact CG1-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CG 4.08Å; V159-L163 WeakPolarHBondContact O-CB 3.14Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.37Å
160D67.8Low66.9Low68 Ų6883.6 Ų83.636%0.36448%0.475SS..Hα-helixtrans-65.1-39.6178.8-78.7-7.1000112S164 L211D160-S164 WeakPolarHBondContact O-CB 3.24Å; D160-S164 PolarHBondContact O-N 3.06Å; D160-S164 VanDerWaalsContact O-N 3.08Å; D160-S164 PolarHBondContact O-OG 3.16Å; D160-L211 WeakPolarHBondContact OD1-CD1 3.47Å
161I72.2Confident68.7Low100 Ų10079 Ų7951%0.51346%0.456SS..Hα-helixtrans-65.6-47174.1-62.4167.6000109.7G157 V159 L163 S164 D165G157-I161 WeakPolarHBondContact O-CD1 3.29Å; G157-I161 VanDerWaalsContact O-CG1 3.31Å; G157-I161 WeakPolarHBondContact O-CG1 3.28Å; V159-I161 VanDerWaalsContact C-N 3.34Å; V159-I161 PolarHBondContact O-N 3.41Å; I161-L163 PolarHBondContact O-N 3.24Å; I161-S164 PolarHBondContact O-N 3.28Å; I161-S164 PolarHBondContact O-OG 3.01Å; I161-D165 PolarHBondContact O-N 3.02Å; I161-D165 VanDerWaalsContact O-N 3.14Å
162A71Confident70.4Confident60 Ų6075.2 Ų75.250%0.49643%0.429SS..Hα-helixtrans-63.3-38.6179.700000113.5D158 V159 S164 A166D158-A162 VanDerWaalsContact O-CB 3.25Å; D158-A162 WeakPolarHBondContact O-CB 3.5Å; D158-A162 PolarHBondContact O-N 2.66Å; V159-A162 PolarHBondContact O-N 3.13Å; A162-S164 VanDerWaalsContact C-N 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.06Å; A162-A166 PolarHBondContact O-N 3.15Å
163L79Confident71.6Confident71 Ų7171.9 Ų71.937%0.37241%0.412SS..Hα-helixtrans-72.1-27.6176.3-70.1175.2000112.2V159 I161 L171 L174V159-L163 HydrophobicContact CG1-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CG 4.08Å; V159-L163 WeakPolarHBondContact O-CB 3.14Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.37Å; I161-L163 PolarHBondContact O-N 3.24Å; L163-L171 HydrophobicContact CD2-CD2 4.09Å; L163-L174 HydrophobicContact CD2-CD1 4.38Å
164S75.7Confident73Confident79 Ų7969 Ų6955%0.55240%0.396SS*.Hα-helixtrans-75.5-29.5176.273.80000113.7D160 I161 A162D160-S164 WeakPolarHBondContact O-CB 3.24Å; D160-S164 PolarHBondContact O-N 3.06Å; D160-S164 VanDerWaalsContact O-N 3.08Å; D160-S164 PolarHBondContact O-OG 3.16Å; I161-S164 PolarHBondContact O-N 3.28Å; I161-S164 PolarHBondContact O-OG 3.01Å; A162-S164 VanDerWaalsContact C-N 3.32Å
165D79.3Confident74.3Confident136 Ų13662.4 Ų62.473%0.72736%0.361SS*.Hα-helixtrans-90.4-14.1178.1-83-10.5000113.5I161I161-D165 PolarHBondContact O-N 3.02Å; I161-D165 VanDerWaalsContact O-N 3.14Å
166A77.4Confident75.5Confident29 Ų2960.6 Ų60.624%0.2435%0.353CS..SBendtrans-66.4141.7-178.200000113A162 D170 L171A162-A166 WeakPolarHBondContact O-CB 3.06Å; A162-A166 PolarHBondContact O-N 3.15Å; A166-D170 HydrophobicContact CB-CB 4.48Å; A166-L171 HydrophobicContact CB-CD2 4.09Å; A166-L171 HydrophobicContact CB-CG 4.23Å
167T81.6Confident76.7Confident78 Ų7862.5 Ų62.548%0.47936%0.364SS..  trans-73.1156.9176.473.10000111.3N169 D170 L171T167-N169 PolarHBondContact O-N 3Å; T167-D170 WeakPolarHBondContact CB-OD2 3.47Å; T167-D170 PolarHBondContact N-OD2 3.1Å; T167-D170 PolarHBondContact O-N 2.75Å; T167-D170 PolarHBondContact OG1-N 3.28Å; T167-D170 PolarHBondContact OG1-OD2 2.88Å; T167-L171 PolarHBondContact O-N 3.26Å
168E77.4Confident77.9Confident74 Ų7466.5 Ų66.535%0.34637%0.374SS..Hα-helixtrans-57.8-35.1-179.8-175.1173.3-177.600112.4L171 V172 T204 F205E168-L171 PolarHBondContact O-N 3.44Å; E168-V172 WeakPolarHBondContact O-CG2 3.45Å; E168-V172 PolarHBondContact O-N 2.82Å; E168-T204 WeakPolarHBondContact OE1-CA 3.4Å; E168-F205 PolarHBondContact OE1-N 2.84Å
169N78.4Confident78.6Confident61 Ų6162.8 Ų62.833%0.32636%0.361SS..Hα-helixtrans-64.5-42.8176.1-69.5-16.2000111.7T167 L171 V172 D173 S203T167-N169 PolarHBondContact O-N 3Å; N169-L171 VanDerWaalsContact C-N 3.27Å; N169-L171 PolarHBondContact O-N 3.35Å; N169-V172 WeakPolarHBondContact O-CB 3.43Å; N169-V172 PolarHBondContact O-N 2.94Å; N169-D173 PolarHBondContact O-N 3Å; N169-S203 WeakPolarHBondContact OD1-CB 3.33Å
170D81.4Confident79.3Confident77 Ų7764 Ų6441%0.41236%0.364SS..Hα-helixtrans-64.6-35.7177.4-56-40.7000110.9A166 T167 D173 L174A166-D170 HydrophobicContact CB-CB 4.48Å; T167-D170 WeakPolarHBondContact CB-OD2 3.47Å; T167-D170 PolarHBondContact N-OD2 3.1Å; T167-D170 PolarHBondContact O-N 2.75Å; T167-D170 PolarHBondContact OG1-N 3.28Å; T167-D170 PolarHBondContact OG1-OD2 2.88Å; D170-D173 PolarHBondContact O-N 2.97Å; D170-L174 VanDerWaalsContact O-CB 3.31Å; D170-L174 WeakPolarHBondContact O-CB 3.5Å; D170-L174 VanDerWaalsContact O-CG 3.23Å; D170-L174 WeakPolarHBondContact O-CG 3.1Å; D170-L174 PolarHBondContact O-N 3.37Å
171L82.9Confident79.6Confident22 Ų2266.9 Ų66.912%0.11538%0.376CS..Hα-helixtrans-68.2-38.5175.3-67.1175000112.6L163 A166 T167 E168 N169 A175 F205 F226L163-L171 HydrophobicContact CD2-CD2 4.09Å; A166-L171 HydrophobicContact CB-CD2 4.09Å; A166-L171 HydrophobicContact CB-CG 4.23Å; T167-L171 PolarHBondContact O-N 3.26Å; E168-L171 PolarHBondContact O-N 3.44Å; N169-L171 VanDerWaalsContact C-N 3.27Å; N169-L171 PolarHBondContact O-N 3.35Å; L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 2.89Å; L171-F205 HydrophobicContact CB-CD1 4.1Å; L171-F205 HydrophobicContact CB-CE1 4.44Å; L171-F226 HydrophobicContact CD1-CE1 4.45Å; L171-F226 HydrophobicContact CD1-CZ 3.85Å
172V79.6Confident79.9Confident0 Ų067.3 Ų67.30%039%0.387CS..Hα-helixtrans-61.8-45.7173.7175.20000110E168 N169 A175 G176 L184 Q188 Q198 F205E168-V172 WeakPolarHBondContact O-CG2 3.45Å; E168-V172 PolarHBondContact O-N 2.82Å; N169-V172 WeakPolarHBondContact O-CB 3.43Å; N169-V172 PolarHBondContact O-N 2.94Å; V172-A175 PolarHBondContact O-N 2.79Å; V172-G176 PolarHBondContact O-N 3.12Å; V172-L184 HydrophobicContact CB-CD2 4.29Å; V172-L184 HydrophobicContact CG1-CD2 3.55Å; V172-Q188 HydrophobicContact CG1-CB 4.03Å; V172-Q188 HydrophobicContact CG1-CG 4.19Å; V172-Q198 HydrophobicContact CB-CG 4.18Å; V172-Q198 VanDerWaalsContact CG1-CD 3.43Å; V172-Q198 HydrophobicContact CG1-CG 3.72Å; V172-F205 HydrophobicContact CG2-CB 3.6Å; V172-F205 HydrophobicContact CG2-CG 4.49Å
173D81.9Confident80Confident45 Ų4567.4 Ų67.424%0.24138%0.378CS..Hα-helixtrans-68.6-42.4-179.3-69.1-20.1000111.2N169 D170 A175 G176 I177 Q198N169-D173 PolarHBondContact O-N 3Å; D170-D173 PolarHBondContact O-N 2.97Å; D173-A175 VanDerWaalsContact C-N 3.34Å; D173-A175 PolarHBondContact O-N 3.43Å; D173-G176 PolarHBondContact O-N 2.98Å; D173-G176 VanDerWaalsContact O-N 3.16Å; D173-I177 VanDerWaalsContact O-CG1 3.26Å; D173-I177 WeakPolarHBondContact O-CG1 3.26Å; D173-I177 PolarHBondContact O-N 2.84Å; D173-Q198 VanDerWaalsContact OD1-CG 3.3Å; D173-Q198 WeakPolarHBondContact OD1-CG 3.34Å; D173-Q198 PolarHBondContact OD1-NE2 3.33Å
174L83.9Confident79.8Confident76 Ų7664.8 Ų64.840%0.39837%0.365SS..Hα-helixtrans-59.3-43.6172-77.6171.8000111.7L163 D170 G176 I177 L178L163-L174 HydrophobicContact CD2-CD1 4.38Å; D170-L174 VanDerWaalsContact O-CB 3.31Å; D170-L174 WeakPolarHBondContact O-CB 3.5Å; D170-L174 VanDerWaalsContact O-CG 3.23Å; D170-L174 WeakPolarHBondContact O-CG 3.1Å; D170-L174 PolarHBondContact O-N 3.37Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 3.38Å; L174-I177 PolarHBondContact O-N 3.18Å; L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 WeakPolarHBondContact O-CD1 3.48Å; L174-L178 PolarHBondContact O-N 3.29Å
175A83.5Confident79.9Confident6 Ų662.4 Ų62.45%0.0535%0.347CS..Hα-helixtrans-65-35.1176.500000112.3L171 V172 D173 G179 M180 L184 F205L171-A175 VanDerWaalsContact O-CB 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 2.89Å; V172-A175 PolarHBondContact O-N 2.79Å; D173-A175 VanDerWaalsContact C-N 3.34Å; D173-A175 PolarHBondContact O-N 3.43Å; A175-G179 PolarHBondContact O-N 3.35Å; A175-M180 HydrophobicContact CB-CB 4.2Å; A175-M180 WeakPolarHBondContact O-CB 3.41Å; A175-M180 PolarHBondContact O-N 3.25Å; A175-L184 HydrophobicContact CB-CD1 3.84Å; A175-L184 HydrophobicContact CB-CD2 4.28Å; A175-L184 HydrophobicContact CB-CG 4.24Å; A175-F205 HydrophobicContact CB-CD2 3.84Å; A175-F205 HydrophobicContact CB-CE2 3.18Å; A175-F205 HydrophobicContact CB-CZ 3.68Å
176G82.4Confident80Confident3 Ų361.6 Ų61.63%0.03134%0.339CS..Hα-helixtrans-66.7-45.3175.400000111.3V172 D173 L174 G179 L184V172-G176 PolarHBondContact O-N 3.12Å; D173-G176 PolarHBondContact O-N 2.98Å; D173-G176 VanDerWaalsContact O-N 3.16Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 3.38Å; G176-G179 PolarHBondContact O-N 2.99Å; G176-G179 VanDerWaalsContact O-N 3.08Å; G176-L184 VanDerWaalsContact N-CD1 3.34Å
177I82.1Confident80Confident130 Ų13064.5 Ų64.567%0.66735%0.35SS*.Hα-helixtrans-64.5-39.5175.6-65.4165.4000111.2D173 L174 G179D173-I177 VanDerWaalsContact O-CG1 3.26Å; D173-I177 WeakPolarHBondContact O-CG1 3.26Å; D173-I177 PolarHBondContact O-N 2.84Å; L174-I177 PolarHBondContact O-N 3.18Å; I177-G179 PolarHBondContact O-N 3.32Å
178L84.4Confident79.8Confident134 Ų13460.9 Ų60.970%0.70233%0.328SS*.THydrogen-bonded Turntrans-70.2-6.9174.1-104.7109.1000113.7L174 M180L174-L178 WeakPolarHBondContact O-CB 3.47Å; L174-L178 WeakPolarHBondContact O-CD1 3.48Å; L174-L178 PolarHBondContact O-N 3.29Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 HydrophobicContact CB-CG 4.16Å
179G81.3Confident80.1Confident29 Ų2960.4 Ų60.430%0.29932%0.323SS..THydrogen-bonded Turntrans73.123.5-178.700000114A175 G176 I177 H181A175-G179 PolarHBondContact O-N 3.35Å; G176-G179 PolarHBondContact O-N 2.99Å; G176-G179 VanDerWaalsContact O-N 3.08Å; I177-G179 PolarHBondContact O-N 3.32Å; G179-H181 PolarHBondContact O-N 3Å; G179-H181 PolarHBondContact O-ND1 2.89Å
180M81.2Confident80.3Confident66 Ų6663.3 Ų63.333%0.32533%0.33SS..  trans-75.657.1176-62.9-142.474.200112.1A175 L178 S182 M183A175-M180 HydrophobicContact CB-CB 4.2Å; A175-M180 WeakPolarHBondContact O-CB 3.41Å; A175-M180 PolarHBondContact O-N 3.25Å; L178-M180 VanDerWaalsContact C-N 3.34Å; L178-M180 HydrophobicContact CB-CG 4.16Å; M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.13Å; M180-M183 HydrophobicContact CE-CE 3.93Å; M180-M183 HydrophobicContact CE-CG 4.31Å; M180-M183 HydrophobicContact CE-SD 3.8Å; M180-M183 PolarHBondContact O-N 3.13Å; M180-M183 HydrophobicContact SD-SD 4.09Å
181H76.1Confident80.3Confident129 Ų12960.7 Ų60.760%0.59732%0.316SS*.THydrogen-bonded Turntrans-57-26.5179.660.7-79.6000113.7G179 M183 L184G179-H181 PolarHBondContact O-N 3Å; G179-H181 PolarHBondContact O-ND1 2.89Å; H181-M183 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.96Å; H181-L184 VanDerWaalsContact O-O 3.1Å
182S77.7Confident80.2Confident109 Ų10960.3 Ų60.376%0.76232%0.316SS*.THydrogen-bonded Turntrans-74.2-18.1176.9-740000114.6M180M180-S182 PolarHBondContact O-N 2.95Å; M180-S182 VanDerWaalsContact O-N 3.13Å
183M73.4Confident80.3Confident62 Ų6265.2 Ų65.231%0.30534%0.342SS..THydrogen-bonded Turntrans-101.5-9.8-179.8-67.7-169.717300113.2M180 H181 F205 G207M180-M183 HydrophobicContact CE-CE 3.93Å; M180-M183 HydrophobicContact CE-CG 4.31Å; M180-M183 HydrophobicContact CE-SD 3.8Å; M180-M183 PolarHBondContact O-N 3.13Å; M180-M183 HydrophobicContact SD-SD 4.09Å; H181-M183 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.96Å; M183-F205 HydrophobicContact CB-CD2 4.31Å; M183-F205 HydrophobicContact CB-CE2 3.77Å; M183-F205 HydrophobicContact SD-CE2 4.23Å; M183-F205 HydrophobicContact SD-CZ 4.16Å; M183-G207 VanDerWaalsContact SD-CA 3.53Å
184L75Confident80.2Confident16 Ų1668.8 Ų68.88%0.08436%0.357CS..SBendtrans-113.3148.2-175.1-65.9160.5000109.8V172 A175 G176 H181 Q188 Y189 F205V172-L184 HydrophobicContact CB-CD2 4.29Å; V172-L184 HydrophobicContact CG1-CD2 3.55Å; A175-L184 HydrophobicContact CB-CD1 3.84Å; A175-L184 HydrophobicContact CB-CD2 4.28Å; A175-L184 HydrophobicContact CB-CG 4.24Å; G176-L184 VanDerWaalsContact N-CD1 3.34Å; H181-L184 VanDerWaalsContact O-O 3.1Å; L184-Q188 VanDerWaalsContact CA-OE1 3.28Å; L184-Q188 HydrophobicContact CB-CB 4.25Å; L184-Q188 HydrophobicContact CD2-CB 3.99Å; L184-Y189 HydrophobicContact CD1-CD2 4.4Å; L184-F205 HydrophobicContact CD2-CD2 3.98Å; L184-F205 HydrophobicContact CG-CD2 4.47Å
185T76.7Confident79.8Confident29 Ų2968.4 Ų68.418%0.17837%0.371CS..  trans-72.7157.1166.360.80000110.3N187 Q188 Y189T185-N187 PolarHBondContact O-N 3.45Å; T185-N187 VanDerWaalsContact O-N 3.14Å; T185-Q188 PolarHBondContact O-N 3.29Å; T185-Q188 VanDerWaalsContact OG1-CD 3.28Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.4Å; T185-Q188 PolarHBondContact OG1-N 3.41Å; T185-Q188 PolarHBondContact OG1-OE1 2.97Å; T185-Y189 PolarHBondContact O-N 2.94Å
186Q80.7Confident79.4Confident119 Ų11973.1 Ų73.156%0.55639%0.391SS*.Hα-helixtrans-53-39.4179.3-165.770.943.900112.1Y190Q186-Y190 HydrophobicContact CG-CD2 3.82Å; Q186-Y190 HydrophobicContact CG-CE2 3.68Å; Q186-Y190 WeakPolarHBondContact O-CB 3.46Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.41Å; Q186-Y190 PolarHBondContact O-N 3.18Å
187N78.7Confident78.8Confident90 Ų9078.1 Ų78.148%0.48142%0.423SS..Hα-helixtrans-68.9-43.6177.2-70.5-42000112.4T185 Y189 Y190 N191T185-N187 PolarHBondContact O-N 3.45Å; T185-N187 VanDerWaalsContact O-N 3.14Å; N187-Y189 VanDerWaalsContact C-N 3.34Å; N187-Y189 PolarHBondContact O-N 3.39Å; N187-Y190 PolarHBondContact O-N 3.4Å; N187-N191 VanDerWaalsContact O-CB 3.31Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.99Å; N187-N191 PolarHBondContact O-OD1 2.86Å
188Q77.9Confident78.2Confident1 Ų172.4 Ų72.41%0.00539%0.394CS..Hα-helixtrans-61.6-43.6177-72.9165.7-11.800111.5V172 L184 T185 N191 A192 Q198 S202 T204V172-Q188 HydrophobicContact CG1-CB 4.03Å; V172-Q188 HydrophobicContact CG1-CG 4.19Å; L184-Q188 VanDerWaalsContact CA-OE1 3.28Å; L184-Q188 HydrophobicContact CB-CB 4.25Å; L184-Q188 HydrophobicContact CD2-CB 3.99Å; T185-Q188 PolarHBondContact O-N 3.29Å; T185-Q188 VanDerWaalsContact OG1-CD 3.28Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.4Å; T185-Q188 PolarHBondContact OG1-N 3.41Å; T185-Q188 PolarHBondContact OG1-OE1 2.97Å; Q188-N191 PolarHBondContact O-N 3.34Å; Q188-A192 WeakPolarHBondContact O-CB 3.27Å; Q188-A192 PolarHBondContact O-N 3.28Å; Q188-Q198 PolarHBondContact O-NE2 2.94Å; Q188-S202 PolarHBondContact NE2-O 3.3Å; Q188-T204 PolarHBondContact NE2-O 2.88Å
189Y82.3Confident77.2Confident64 Ų6471 Ų7125%0.25139%0.387SS..Hα-helixtrans-62.6-45.5177.5178.6-107.6000111.8L184 T185 N187 A192 L193L184-Y189 HydrophobicContact CD1-CD2 4.4Å; T185-Y189 PolarHBondContact O-N 2.94Å; N187-Y189 VanDerWaalsContact C-N 3.34Å; N187-Y189 PolarHBondContact O-N 3.39Å; Y189-A192 PolarHBondContact O-N 3.27Å; Y189-L193 HydrophobicContact CD1-CD1 3.78Å; Y189-L193 HydrophobicContact CE1-CD1 3.25Å; Y189-L193 HydrophobicContact CE1-CG 4.39Å; Y189-L193 HydrophobicContact CE2-CD1 4.09Å; Y189-L193 HydrophobicContact CE2-CG 4.46Å; Y189-L193 HydrophobicContact CG-CD1 4.4Å; Y189-L193 VanDerWaalsContact CZ-CD1 3.42Å; Y189-L193 PolarHBondContact O-N 2.88Å
190Y82.2Confident76.1Confident123 Ų12374 Ų7448%0.48240%0.403SS..Hα-helixtrans-65.3-39.8174.6-84.5-61.8000112.7Q186 N187 A192 L193 E194Q186-Y190 HydrophobicContact CG-CD2 3.82Å; Q186-Y190 HydrophobicContact CG-CE2 3.68Å; Q186-Y190 WeakPolarHBondContact O-CB 3.46Å; Q186-Y190 WeakPolarHBondContact O-CD2 3.41Å; Q186-Y190 PolarHBondContact O-N 3.18Å; N187-Y190 PolarHBondContact O-N 3.4Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.34Å; Y190-L193 PolarHBondContact O-N 3.45Å; Y190-E194 WeakPolarHBondContact O-CB 3.5Å; Y190-E194 WeakPolarHBondContact O-CG 3.45Å; Y190-E194 PolarHBondContact O-N 2.98Å
191N81.7Confident75Confident22 Ų2278.4 Ų78.412%0.11843%0.428CS..Hα-helixtrans-61.8-41.9176.7-74.3-9.3000111.3N187 Q188 E194 G195 K196N187-N191 VanDerWaalsContact O-CB 3.31Å; N187-N191 WeakPolarHBondContact O-CB 3.25Å; N187-N191 PolarHBondContact O-N 2.99Å; N187-N191 PolarHBondContact O-OD1 2.86Å; Q188-N191 PolarHBondContact O-N 3.34Å; N191-E194 PolarHBondContact O-N 3.12Å; N191-G195 PolarHBondContact O-N 2.83Å; N191-K196 HydrophobicContact CB-CB 4.2Å; N191-K196 PolarHBondContact O-N 2.63Å
192A81.6Confident74Confident13 Ų1373.7 Ų73.711%0.10741%0.409CS..Hα-helixtrans-66.1-39.4176.600000112.3Q188 Y189 Y190 G195Q188-A192 WeakPolarHBondContact O-CB 3.27Å; Q188-A192 PolarHBondContact O-N 3.28Å; Y189-A192 PolarHBondContact O-N 3.27Å; Y190-A192 VanDerWaalsContact C-N 3.33Å; Y190-A192 PolarHBondContact O-N 3.34Å; A192-G195 PolarHBondContact O-N 3.08Å
193L81.3Confident72.8Confident104 Ų10469.4 Ų69.455%0.54538%0.379SS..Hα-helixtrans-67.5-37.9175.2-84.5166.3000113.3Y189 Y190 G195Y189-L193 HydrophobicContact CD1-CD1 3.78Å; Y189-L193 HydrophobicContact CE1-CD1 3.25Å; Y189-L193 HydrophobicContact CE1-CG 4.39Å; Y189-L193 HydrophobicContact CE2-CD1 4.09Å; Y189-L193 HydrophobicContact CE2-CG 4.46Å; Y189-L193 HydrophobicContact CG-CD1 4.4Å; Y189-L193 VanDerWaalsContact CZ-CD1 3.42Å; Y189-L193 PolarHBondContact O-N 2.88Å; Y190-L193 PolarHBondContact O-N 3.45Å; L193-G195 VanDerWaalsContact C-N 3.33Å
194E80Confident71.8Confident119 Ų11968.9 Ų68.956%0.55638%0.38SS*.Hα-helixtrans-84.8-6.3179.7-69.2-171.4163.500113.2Y190 N191 K196Y190-E194 WeakPolarHBondContact O-CB 3.5Å; Y190-E194 WeakPolarHBondContact O-CG 3.45Å; Y190-E194 PolarHBondContact O-N 2.98Å; N191-E194 PolarHBondContact O-N 3.12Å; E194-K196 VanDerWaalsContact C-N 3.26Å; E194-K196 HydrophobicContact CB-CD 4.37Å; E194-K196 HydrophobicContact CB-CG 4.22Å; E194-K196 PolarHBondContact O-N 3.45Å; E194-K196 WeakPolarHBondContact OE2-CD 3.4Å; E194-K196 WeakPolarHBondContact OE2-CE 3.45Å; E194-K196 IonicContact OE2-NZ 3.83Å; E194-K196 PolarHBondContact OE2-NZ 3.13Å
195G74.7Confident70.5Confident68 Ų6869.3 Ų69.370%0.70138%0.381SS*.THydrogen-bonded Turntrans6725.7-17500000113.5N191 A192 L193N191-G195 PolarHBondContact O-N 2.83Å; A192-G195 PolarHBondContact O-N 3.08Å; L193-G195 VanDerWaalsContact C-N 3.33Å
196K76.3Confident69Low105 Ų10570.2 Ų70.246%0.45739%0.389SS..PPolyproline II helixtrans-80139.9174.5-74.4176.4175.4162.90109.5N191 E194 Q198N191-K196 HydrophobicContact CB-CB 4.2Å; N191-K196 PolarHBondContact O-N 2.63Å; E194-K196 VanDerWaalsContact C-N 3.26Å; E194-K196 HydrophobicContact CB-CD 4.37Å; E194-K196 HydrophobicContact CB-CG 4.22Å; E194-K196 PolarHBondContact O-N 3.45Å; E194-K196 WeakPolarHBondContact OE2-CD 3.4Å; E194-K196 WeakPolarHBondContact OE2-CE 3.45Å; E194-K196 IonicContact OE2-NZ 3.83Å; E194-K196 PolarHBondContact OE2-NZ 3.13Å; K196-Q198 PolarHBondContact O-N 2.88Å
197P69.6Low67.2Low108 Ų10865 Ų6570%0.70137%0.367SS*.PPolyproline II helixtrans-58.1134.5174.126-33.3000109.4D199P197-D199 PolarHBondContact O-N 3.06Å
198Q69Low65.4Low11 Ų1169.9 Ų69.95%0.05138%0.379CS..PPolyproline II helixtrans-63.8124.5173.8-62.5-65.5-22.200108.9V172 D173 Q188 K196 S200V172-Q198 HydrophobicContact CB-CG 4.18Å; V172-Q198 VanDerWaalsContact CG1-CD 3.43Å; V172-Q198 HydrophobicContact CG1-CG 3.72Å; D173-Q198 VanDerWaalsContact OD1-CG 3.3Å; D173-Q198 WeakPolarHBondContact OD1-CG 3.34Å; D173-Q198 PolarHBondContact OD1-NE2 3.33Å; Q188-Q198 PolarHBondContact O-NE2 2.94Å; K196-Q198 PolarHBondContact O-N 2.88Å; Q198-S200 PolarHBondContact O-N 3.31Å
199D64.4Low63.7Low104 Ų10477.6 Ų77.656%0.55641%0.413SS*.PPolyproline II helixtrans-60.5127171.1-61.7-43000107.8P197 D201 S202 S203P197-D199 PolarHBondContact O-N 3.06Å; D199-D201 PolarHBondContact O-N 3.09Å; D199-S202 WeakPolarHBondContact O-CA 3.27Å; D199-S202 PolarHBondContact O-N 2.91Å; D199-S203 PolarHBondContact O-N 3.43Å; D199-S203 VanDerWaalsContact O-N 3.08Å
200S57.7Low61.7Low92 Ų9282 Ų8264%0.64343%0.429SS*.THydrogen-bonded Turntrans-55.7-21.317954.40000113.4Q198 S203Q198-S200 PolarHBondContact O-N 3.31Å; S200-S203 PolarHBondContact O-OG 3.31Å
201D58.2Low59.8Low158 Ų15880 Ų8085%0.84543%0.426SS*.THydrogen-bonded Turntrans-85.1-17.7179.2-64.8-7.9000112.3D199D199-D201 PolarHBondContact O-N 3.09Å
202S54.8Low57.9Low30 Ų3085.9 Ų85.921%0.2145%0.453CS..THydrogen-bonded Turntrans-99-27.2178-165.80000111.7Q188 D199 T204Q188-S202 PolarHBondContact NE2-O 3.3Å; D199-S202 WeakPolarHBondContact O-CA 3.27Å; D199-S202 PolarHBondContact O-N 2.91Å; S202-T204 PolarHBondContact O-N 2.93Å; S202-T204 PolarHBondContact O-OG1 3.44Å
203S52.4Low56Low19 Ų1991.1 Ų91.113%0.13348%0.475CS..  trans-60.298.8-17859.50000111.8N169 D199 S200N169-S203 WeakPolarHBondContact OD1-CB 3.33Å; D199-S203 PolarHBondContact O-N 3.43Å; D199-S203 VanDerWaalsContact O-N 3.08Å; S200-S203 PolarHBondContact O-OG 3.31Å
204T51.8Low53.6Low52 Ų5294.1 Ų94.132%0.31948%0.484SS..  trans-143.487165.216.50000106.3E168 Q188 S202 A228E168-T204 WeakPolarHBondContact OE1-CA 3.4Å; Q188-T204 PolarHBondContact NE2-O 2.88Å; S202-T204 PolarHBondContact O-N 2.93Å; S202-T204 PolarHBondContact O-OG1 3.44Å; T204-A228 HydrophobicContact CG2-CB 3.82Å
205F48.9Very low51.6Low24 Ų2496.3 Ų96.311%0.10550%0.498CS..  trans-86.8118.6173.1178.3-109.7000108.9E168 L171 V172 A175 M183 L184E168-F205 PolarHBondContact OE1-N 2.84Å; L171-F205 HydrophobicContact CB-CD1 4.1Å; L171-F205 HydrophobicContact CB-CE1 4.44Å; V172-F205 HydrophobicContact CG2-CB 3.6Å; V172-F205 HydrophobicContact CG2-CG 4.49Å; A175-F205 HydrophobicContact CB-CD2 3.84Å; A175-F205 HydrophobicContact CB-CE2 3.18Å; A175-F205 HydrophobicContact CB-CZ 3.68Å; M183-F205 HydrophobicContact CB-CD2 4.31Å; M183-F205 HydrophobicContact CB-CE2 3.77Å; M183-F205 HydrophobicContact SD-CE2 4.23Å; M183-F205 HydrophobicContact SD-CZ 4.16Å; L184-F205 HydrophobicContact CD2-CD2 3.98Å; L184-F205 HydrophobicContact CG-CD2 4.47Å
206S45.2Very low49.8Very low49 Ų4998.4 Ų98.434%0.34350%0.5SS..  trans-111.582.8177.6159.70000109
207G43.6Very low48.1Very low10 Ų10100.3 Ų100.310%0.10352%0.515CS..  trans-111.5115.4170.200000111.3M183 F209M183-G207 VanDerWaalsContact SD-CA 3.53Å; G207-F209 VanDerWaalsContact C-N 3.33Å; G207-F209 PolarHBondContact O-N 2.82Å; G207-F209 VanDerWaalsContact O-N 3.17Å
208R40.1Very low46.8Very low192 Ų192100.7 Ų100.773%0.72551%0.511SS*.  trans-84.381.1167-164.1-178-164.5165.67.2108.4R210R208-R210 PolarHBondContact O-N 3.12Å; R208-R210 VanDerWaalsContact O-N 3.11Å
209F42.6Very low45.8Very low163 Ų163109.1 Ų109.172%0.71555%0.55SS**  trans-78.994.8169.5-131.6-92.3000108.1G207 L211G207-F209 VanDerWaalsContact C-N 3.33Å; G207-F209 PolarHBondContact O-N 2.82Å; G207-F209 VanDerWaalsContact O-N 3.17Å; F209-L211 HydrophobicContact CD1-CD1 3.94Å; F209-L211 HydrophobicContact CD1-CG 4.26Å; F209-L211 HydrophobicContact CE1-CD1 4.29Å; F209-L211 HydrophobicContact CE1-CG 4.42Å; F209-L211 PolarHBondContact O-N 3.01Å
210R40.4Very low44.9Very low157 Ų157108.7 Ų108.759%0.59256%0.556SS**  trans-92.691.8169.4-165.7-166.4-85.9167.8-7.8106.3R208 Q212R208-R210 PolarHBondContact O-N 3.12Å; R208-R210 VanDerWaalsContact O-N 3.11Å; R210-Q212 VanDerWaalsContact C-N 3.26Å; R210-Q212 HydrophobicContact CG-CG 4.06Å; R210-Q212 PolarHBondContact O-N 3.44Å
211L42.3Very low44.2Very low79 Ų79107.7 Ų107.741%0.41455%0.553SS.*  trans-63.396.7160.2-93.9129.7000107.1D160 F209 H213D160-L211 WeakPolarHBondContact OD1-CD1 3.47Å; F209-L211 HydrophobicContact CD1-CD1 3.94Å; F209-L211 HydrophobicContact CD1-CG 4.26Å; F209-L211 HydrophobicContact CE1-CD1 4.29Å; F209-L211 HydrophobicContact CE1-CG 4.42Å; F209-L211 PolarHBondContact O-N 3.01Å; L211-H213 PolarHBondContact O-N 3.07Å; L211-H213 VanDerWaalsContact O-N 3.1Å
212Q40.9Very low43.4Very low146 Ų146108.1 Ų108.168%0.68255%0.55SS*.  trans-79.574.8165.6-83.3-179.9-24.700107.4R210R210-Q212 VanDerWaalsContact C-N 3.26Å; R210-Q212 HydrophobicContact CG-CG 4.06Å; R210-Q212 PolarHBondContact O-N 3.44Å
213H41.9Very low42.8Very low124 Ų124111.8 Ų111.857%0.57457%0.573SS**  trans-121.3106.9160.9-120-110.8000110.2L211 L215L211-H213 PolarHBondContact O-N 3.07Å; L211-H213 VanDerWaalsContact O-N 3.1Å; H213-L215 PolarHBondContact O-N 3.41Å
214F31.4Very low42.2Very low167 Ų167117.1 Ų117.173%0.73260%0.6SS**  trans10.496156.1-58.1-88.8000117.6
215L36.9Very low41.5Very low165 Ų165119.8 Ų119.886%0.86461%0.612SS**  trans-152.4112.7132.6-75.8-171.9000108.7H213H213-L215 PolarHBondContact O-N 3.41Å
216P36.7Very low41.3Very low112 Ų112123.6 Ų123.673%0.72763%0.629SS**  trans-73.4139.4169.131-28.4000108.4
217N40.4Very low41.3Very low145 Ų145130.1 Ų130.178%0.77565%0.651SS**  trans101.86.7162.3-61.3-22.6000120.7Q219N217-Q219 PolarHBondContact O-N 3.11Å; N217-Q219 VanDerWaalsContact O-N 3.14Å
218D42.7Very low41.6Very low115 Ų115130.8 Ų130.862%0.61566%0.656SS**  trans-86.288163.7-147.1-21.7000111.5S220D218-S220 PolarHBondContact O-N 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.39Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 VanDerWaalsContact OD1-N 3.1Å; D218-S220 PolarHBondContact OD1-OG 3.17Å
219Q49.6Very low42.1Very low188 Ų188127.1 Ų127.188%0.87965%0.654SS**THydrogen-bonded Turntrans-73.5-0.1173.6-64.4-174.818.500112.8N217N217-Q219 PolarHBondContact O-N 3.11Å; N217-Q219 VanDerWaalsContact O-N 3.14Å
220S45.4Very low42.6Very low96 Ų96124.1 Ų124.167%0.67165%0.649SS**THydrogen-bonded Turntrans-97-9.8-179.675.80000114.3D218 Q222D218-S220 PolarHBondContact O-N 3.3Å; D218-S220 WeakPolarHBondContact OD1-CB 3.39Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 VanDerWaalsContact OD1-N 3.1Å; D218-S220 PolarHBondContact OD1-OG 3.17Å; S220-Q222 PolarHBondContact O-N 3.45Å
221A42.9Very low43.3Very low71 Ų71124.4 Ų124.459%0.58766%0.655SS**  trans-74.698.5171.800000109.2P223A221-P223 WeakPolarHBondContact O-CD 3.49Å
222Q40.3Very low44.4Very low166 Ų166125.1 Ų125.178%0.77667%0.672SS**  trans-52.8117.1163.5-96.5-179.4-1200107S220 N224S220-Q222 PolarHBondContact O-N 3.45Å; Q222-N224 PolarHBondContact O-N 2.82Å; Q222-N224 PolarHBondContact O-OD1 3.44Å
223P41.8Very low45.7Very low108 Ų108121.5 Ų121.570%0.70166%0.663SS**  trans-64.9109.7170.826.2-29.6000105.1A221 N225A221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-N225 WeakPolarHBondContact O-CB 3.43Å; P223-N225 PolarHBondContact O-N 3.13Å
224N40.4Very low47Very low130 Ų130121.2 Ų121.270%0.69567%0.672SS**  trans-60.390172.1-68.1-17000106.7Q222 F226Q222-N224 PolarHBondContact O-N 2.82Å; Q222-N224 PolarHBondContact O-OD1 3.44Å; N224-F226 PolarHBondContact O-N 3.5Å; N224-F226 VanDerWaalsContact O-N 3.08Å
225N37.4Very low49.1Very low108 Ų108121.2 Ų121.258%0.57868%0.678SS**  trans-84.193.1-168.6-149.218.7000105.9P223 K227P223-N225 WeakPolarHBondContact O-CB 3.43Å; P223-N225 PolarHBondContact O-N 3.13Å; N225-K227 PolarHBondContact O-N 3.34Å
226F44.5Very low51.1Low105 Ų105122.5 Ų122.546%0.46168%0.677SS.*  trans-55.8102.6170.7-90.8-94000109.1L171 N224L171-F226 HydrophobicContact CD1-CE1 4.45Å; L171-F226 HydrophobicContact CD1-CZ 3.85Å; N224-F226 PolarHBondContact O-N 3.5Å; N224-F226 VanDerWaalsContact O-N 3.08Å
227K45Very low53.1Low186 Ų186125.1 Ų125.181%0.80968%0.684SS**  trans-108.464.3176.2-78.9-175.2175.21780109.7N225N225-K227 PolarHBondContact O-N 3.34Å
228A49.6Very low54.8Low24 Ų24125.4 Ų125.420%0.19869%0.685CS.*  trans-98.8124.6170.300000109.8T204T204-A228 HydrophobicContact CG2-CB 3.82Å
229V51.6Low56.5Low115 Ų115125.5 Ų125.570%0.69769%0.692SS**  trans-90.3117.8174.2176.70000107.9K231V229-K231 PolarHBondContact O-N 2.97Å; V229-K231 VanDerWaalsContact O-N 3.15Å
230V52.3Low57.9Low99 Ų99125.8 Ų125.860%0.669%0.693SS**  trans-61.1116172.8-179.30000108.7
231K55.2Low59.4Low164 Ų164129 Ų12971%0.71370%0.697SS**PPolyproline II helixtrans-95.8131.6170.1-67.7-179.5-1761700108.5V229V229-K231 PolarHBondContact O-N 2.97Å; V229-K231 VanDerWaalsContact O-N 3.15Å
232A65.9Low61.2Low94 Ų94131.3 Ų131.378%0.77771%0.707SS**PPolyproline II helixtrans-60.7139167.700000109.1
233S67.2Low63.1Low70 Ų70129.7 Ų129.749%0.4971%0.708SS.*PPolyproline II helixtrans-53127.5172.3-600000109.2L235S233-L235 PolarHBondContact O-N 3.09Å
234P70.2Confident65.1Low118 Ų118126.2 Ų126.277%0.76668%0.683SS**PPolyproline II helixtrans-59.9131.7178.623.9-32.2000109.5K236P234-K236 PolarHBondContact O-N 3.35Å; P234-K236 VanDerWaalsContact O-N 3.09Å
235L74.6Confident67.2Low166 Ų166127.3 Ų127.387%0.86969%0.689SS**PPolyproline II helixtrans-58.5116.8175.2-71.6169.9000108.5S233 L237S233-L235 PolarHBondContact O-N 3.09Å; L235-L237 PolarHBondContact O-N 3.04Å
236K80.1Confident69.6Low193 Ų193124 Ų12484%0.83967%0.673SS**  trans-69.699.4170.6-65.2-179.4-176.9177.50107.1P234 L238P234-K236 PolarHBondContact O-N 3.35Å; P234-K236 VanDerWaalsContact O-N 3.09Å; K236-L238 PolarHBondContact O-N 3.41Å
237L77.1Confident71.7Confident167 Ų167123.6 Ų123.687%0.87468%0.676SS**  trans-64.4102.8165.7-74.1163.4000106.8L235L235-L237 PolarHBondContact O-N 3.04Å
238L77Confident73.8Confident150 Ų150115.1 Ų115.179%0.78564%0.639SS**PPolyproline II helixtrans-68.2134.1172.1-66.3173.5000107.8K236K236-L238 PolarHBondContact O-N 3.41Å
239P78.6Confident75.8Confident117 Ų117117.3 Ų117.376%0.7666%0.657SS**PPolyproline II helixtrans-58.7144.2172.425.9-32.6000109.4E241P239-E241 PolarHBondContact O-N 2.84Å
240E78.5Confident77.7Confident195 Ų195113.1 Ų113.191%0.91163%0.631SS**PPolyproline II helixtrans-60.1130.4172.1-65.6-177173.500108.9
241E78Confident79.6Confident163 Ų163109 Ų10976%0.76261%0.607SS**PPolyproline II helixtrans-60.8144.3176.6-66.9-177.8168.200110.2P239 V243P239-E241 PolarHBondContact O-N 2.84Å; E241-V243 PolarHBondContact O-N 3.24Å
242P79.1Confident81.4Confident120 Ų120101.7 Ų101.778%0.77958%0.576SS**PPolyproline II helixtrans-60.2141.8178.726.5-34.1000110.5N244P242-N244 PolarHBondContact O-N 3.12Å
243V81Confident82.8Confident132 Ų132105.1 Ų105.180%0.857%0.568SS**PPolyproline II helixtrans-60.9133.3173.6-177.90000108.6E241 D245E241-V243 PolarHBondContact O-N 3.24Å; V243-D245 PolarHBondContact O-N 3.19Å
244N84.5Confident84Confident35 Ų35106.5 Ų106.519%0.18756%0.563CS.*PPolyproline II helixtrans-59.5122.5176.3-174.1-4.9000110.2P242 T246 N266 N268 M270P242-N244 PolarHBondContact O-N 3.12Å; N244-T246 VanDerWaalsContact OD1-CB 3.29Å; N244-T246 WeakPolarHBondContact OD1-CB 3.39Å; N244-T246 PolarHBondContact OD1-N 3.28Å; N244-T246 VanDerWaalsContact OD1-N 3.08Å; N244-T246 PolarHBondContact OD1-OG1 3.4Å; N244-N266 PolarHBondContact ND2-O 2.62Å; N244-N268 PolarHBondContact ND2-N 2.99Å; N244-N268 PolarHBondContact ND2-O 3.44Å; N244-M270 HydrophobicContact CB-CG 3.95Å; N244-M270 HydrophobicContact CB-SD 4.36Å
245D83.1Confident85.1Confident153 Ų153100.9 Ų100.982%0.81853%0.526SS*.  trans-10011.6-175.564.2-20.2000113.2V243 D247V243-D245 PolarHBondContact O-N 3.19Å; D245-D247 PolarHBondContact O-N 3.43Å
246T87.5Confident86Confident38 Ų3899.9 Ų99.923%0.23351%0.511CS..  trans-60.4123.1-179.4-610000111.8N244 V248 N266 V267 M270N244-T246 VanDerWaalsContact OD1-CB 3.29Å; N244-T246 WeakPolarHBondContact OD1-CB 3.39Å; N244-T246 PolarHBondContact OD1-N 3.28Å; N244-T246 VanDerWaalsContact OD1-N 3.08Å; N244-T246 PolarHBondContact OD1-OG1 3.4Å; T246-V248 PolarHBondContact O-N 3.16Å; T246-V248 VanDerWaalsContact O-N 3.16Å; T246-N266 WeakPolarHBondContact CB-O 3.23Å; T246-N266 PolarHBondContact OG1-O 3.1Å; T246-N266 VanDerWaalsContact OG1-O 3.13Å; T246-V267 HydrophobicContact CG2-CG1 4.44Å; T246-M270 WeakPolarHBondContact O-CE 3.47Å
247D89.8Confident86.6Confident97 Ų9794.4 Ų94.452%0.51950%0.501SS..  trans-77.698.9175.8-174.7-17.3000110.9D245 A249 D250 C251D245-D247 PolarHBondContact O-N 3.43Å; D247-A249 VanDerWaalsContact C-N 3.27Å; D247-A249 PolarHBondContact O-N 2.55Å; D247-A249 WeakPolarHBondContact OD1-CB 3.27Å; D247-A249 PolarHBondContact OD1-N 3.29Å; D247-D250 HydrophobicContact CB-CB 4.06Å; D247-D250 PolarHBondContact O-N 3.23Å; D247-D250 PolarHBondContact OD1-N 3.44Å; D247-D250 VanDerWaalsContact OD1-N 3.09Å; D247-C251 PolarHBondContact O-N 3.2Å; D247-C251 PolarHBondContact O-SG 3.16Å; D247-C251 VanDerWaalsContact O-SG 3.35Å
248V89.6Confident87.2Confident8 Ų888.7 Ų88.75%0.04847%0.472CS..Hα-helixtrans-62-33.1-179.5179.40000112.5T246 T252 V267 M270 L273 L281T246-V248 PolarHBondContact O-N 3.16Å; T246-V248 VanDerWaalsContact O-N 3.16Å; V248-T252 VanDerWaalsContact O-CB 3.32Å; V248-T252 WeakPolarHBondContact O-CB 3.3Å; V248-T252 PolarHBondContact O-N 2.88Å; V248-T252 PolarHBondContact O-OG1 3.17Å; V248-V267 HydrophobicContact CG2-CG1 3.76Å; V248-M270 HydrophobicContact CG2-CE 4.02Å; V248-M270 HydrophobicContact CG2-SD 4.23Å; V248-L273 HydrophobicContact CB-CD2 3.97Å; V248-L273 HydrophobicContact CG1-CD2 4.28Å; V248-L273 HydrophobicContact CG2-CD1 3.81Å; V248-L273 HydrophobicContact CG2-CD2 3.49Å; V248-L273 VanDerWaalsContact CG2-CD2 3.49Å; V248-L273 HydrophobicContact CG2-CG 4.29Å; V248-L281 HydrophobicContact CG1-CB 4.45Å; V248-L281 HydrophobicContact CG1-CD1 4.4Å; V248-L281 HydrophobicContact CG1-CD2 4.29Å
249A90.8Very high87.9Confident69 Ų6983.9 Ų83.957%0.5745%0.447SS*.Hα-helixtrans-71.1-41.4-179.900000111.3D247 T252 R253D247-A249 VanDerWaalsContact C-N 3.27Å; D247-A249 PolarHBondContact O-N 2.55Å; D247-A249 WeakPolarHBondContact OD1-CB 3.27Å; D247-A249 PolarHBondContact OD1-N 3.29Å; A249-T252 PolarHBondContact O-N 3.06Å; A249-R253 PolarHBondContact O-N 3.4Å
250D91.7Very high88.5Confident28 Ų2882.4 Ų82.415%0.1544%0.439CS..Hα-helixtrans-65.3-46.7173.7-173.345.7000111.6D247 T252 R253 R254D247-D250 HydrophobicContact CB-CB 4.06Å; D247-D250 PolarHBondContact O-N 3.23Å; D247-D250 PolarHBondContact OD1-N 3.44Å; D247-D250 VanDerWaalsContact OD1-N 3.09Å; D250-T252 VanDerWaalsContact C-N 3.32Å; D250-T252 PolarHBondContact O-N 3.48Å; D250-R253 WeakPolarHBondContact O-CB 3.26Å; D250-R253 PolarHBondContact O-N 2.99Å; D250-R253 VanDerWaalsContact O-N 3.14Å; D250-R253 IonicContact OD1-CZ 3.42Å; D250-R253 IonicContact OD1-NE 2.64Å; D250-R253 IonicContact OD1-NH2 2.62Å; D250-R253 PolarHBondContact OD1-NH2 3.29Å; D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-N 3.41Å; D250-R254 IonicContact OD1-NE 3.38Å; D250-R254 PolarHBondContact OD1-NE 2.94Å; D250-R254 IonicContact OD2-CZ 3.11Å; D250-R254 IonicContact OD2-NE 2.83Å; D250-R254 PolarHBondContact OD2-NE 3.41Å; D250-R254 IonicContact OD2-NH2 2.73Å; D250-R254 PolarHBondContact OD2-NH2 2.9Å
251C92.6Very high89.1Confident13 Ų1376.7 Ų76.79%0.08842%0.421CS..Hα-helixtrans-55.3-47.6175-71.90000111.4D247 R253 R254 L255 L281D247-C251 PolarHBondContact O-N 3.2Å; D247-C251 PolarHBondContact O-SG 3.16Å; D247-C251 VanDerWaalsContact O-SG 3.35Å; C251-R253 VanDerWaalsContact C-N 3.31Å; C251-R253 PolarHBondContact O-N 3.49Å; C251-R254 PolarHBondContact O-N 3.46Å; C251-L255 WeakPolarHBondContact O-CB 3.28Å; C251-L255 VanDerWaalsContact O-CG 3.24Å; C251-L255 WeakPolarHBondContact O-CG 3.36Å; C251-L255 PolarHBondContact O-N 3.36Å; C251-L281 HydrophobicContact CB-CD1 4.16Å
252T93.3Very high89.7Confident10 Ų1070.1 Ų70.16%0.06139%0.391CS..Hα-helixtrans-60.9-40.8179-55.30000111.5V248 A249 D250 R256 A280 L281 A284V248-T252 VanDerWaalsContact O-CB 3.32Å; V248-T252 WeakPolarHBondContact O-CB 3.3Å; V248-T252 PolarHBondContact O-N 2.88Å; V248-T252 PolarHBondContact O-OG1 3.17Å; A249-T252 PolarHBondContact O-N 3.06Å; D250-T252 VanDerWaalsContact C-N 3.32Å; D250-T252 PolarHBondContact O-N 3.48Å; T252-R256 VanDerWaalsContact CG2-NH1 3.32Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 2.88Å; T252-R256 VanDerWaalsContact O-N 3.15Å; T252-A280 HydrophobicContact CG2-CB 4.46Å; T252-L281 WeakPolarHBondContact OG1-CD1 3.39Å; T252-A284 HydrophobicContact CG2-CB 3.71Å
253R93.9Very high90.4Very high166 Ų16667.4 Ų67.463%0.62637%0.372SS*.Hα-helixtrans-64.8-46.4176.3-179.1179.963.4-159.12112A249 D250 C251 R256 A257A249-R253 PolarHBondContact O-N 3.4Å; D250-R253 WeakPolarHBondContact O-CB 3.26Å; D250-R253 PolarHBondContact O-N 2.99Å; D250-R253 VanDerWaalsContact O-N 3.14Å; D250-R253 IonicContact OD1-CZ 3.42Å; D250-R253 IonicContact OD1-NE 2.64Å; D250-R253 IonicContact OD1-NH2 2.62Å; D250-R253 PolarHBondContact OD1-NH2 3.29Å; C251-R253 VanDerWaalsContact C-N 3.31Å; C251-R253 PolarHBondContact O-N 3.49Å; R253-R256 PolarHBondContact O-N 2.98Å; R253-A257 PolarHBondContact O-N 3.03Å
254R93Very high91Very high98 Ų9865.3 Ų65.337%0.3735%0.354SS..Hα-helixtrans-65.8-39.4-179.9-69.4-170.9-162.4-164.511.3112.5D250 C251 A257 N258 D259 L262D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-N 3.41Å; D250-R254 IonicContact OD1-NE 3.38Å; D250-R254 PolarHBondContact OD1-NE 2.94Å; D250-R254 IonicContact OD2-CZ 3.11Å; D250-R254 IonicContact OD2-NE 2.83Å; D250-R254 PolarHBondContact OD2-NE 3.41Å; D250-R254 IonicContact OD2-NH2 2.73Å; D250-R254 PolarHBondContact OD2-NH2 2.9Å; C251-R254 PolarHBondContact O-N 3.46Å; R254-A257 CarbonylContact O-C 3.59Å; R254-A257 PolarHBondContact O-N 2.64Å; R254-N258 PolarHBondContact O-N 3.34Å; R254-N258 VanDerWaalsContact O-N 3.14Å; R254-D259 HydrophobicContact CB-CB 4.08Å; R254-D259 PolarHBondContact O-N 2.83Å; R254-D259 VanDerWaalsContact O-N 3.1Å; R254-L262 HydrophobicContact CB-CD2 3.87Å
255L93.1Very high91.4Very high1 Ų163.7 Ų63.71%0.00535%0.345CS..Hα-helixtrans-61.2-44.2174.4-72.9170.3000111.6C251 A257 N258 L262 V265 L281 A284 A285 L291C251-L255 WeakPolarHBondContact O-CB 3.28Å; C251-L255 VanDerWaalsContact O-CG 3.24Å; C251-L255 WeakPolarHBondContact O-CG 3.36Å; C251-L255 PolarHBondContact O-N 3.36Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.48Å; L255-N258 PolarHBondContact O-N 3.04Å; L255-N258 VanDerWaalsContact O-N 3.08Å; L255-L262 HydrophobicContact CD2-CD2 3.85Å; L255-L262 HydrophobicContact CG-CD2 3.77Å; L255-V265 HydrophobicContact CD1-CG2 4.23Å; L255-V265 HydrophobicContact CD2-CG2 4.3Å; L255-L281 HydrophobicContact CD1-CD1 3.73Å; L255-A284 HydrophobicContact CB-CB 3.88Å; L255-A284 HydrophobicContact CD1-CB 4.41Å; L255-A285 HydrophobicContact CD1-CB 4.02Å; L255-L291 HydrophobicContact CD2-CB 4.38Å; L255-L291 HydrophobicContact CD2-CD1 4.28Å; L255-L291 HydrophobicContact CD2-CD2 4.18Å
256R93.1Very high92Very high145 Ų14558.8 Ų58.855%0.54732%0.319SS..Hα-helixtrans-65.1-31.5174.7-71.6-175.8-172.41243.2113.4T252 R253 N258 A284T252-R256 VanDerWaalsContact CG2-NH1 3.32Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 2.88Å; T252-R256 VanDerWaalsContact O-N 3.15Å; R253-R256 PolarHBondContact O-N 2.98Å; R256-N258 PolarHBondContact O-N 3.41Å; R256-A284 HydrophobicContact CG-CB 3.66Å
257A92.4Very high92.2Very high77 Ų7757 Ų5764%0.63631%0.308SS*.THydrogen-bonded Turntrans-79.8-1175.300000113.5R253 R254 L255 D259R253-A257 PolarHBondContact O-N 3.03Å; R254-A257 CarbonylContact O-C 3.59Å; R254-A257 PolarHBondContact O-N 2.64Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3.48Å; A257-D259 VanDerWaalsContact C-N 3.32Å; A257-D259 PolarHBondContact O-N 3.38Å
258N90.2Very high92.3Very high48 Ų4853.8 Ų53.826%0.25729%0.291SS..THydrogen-bonded Turntrans50.148.1-174-158.616.4000112.9R254 L255 R256 S260 S288 D289 H290R254-N258 PolarHBondContact O-N 3.34Å; R254-N258 VanDerWaalsContact O-N 3.14Å; L255-N258 PolarHBondContact O-N 3.04Å; L255-N258 VanDerWaalsContact O-N 3.08Å; R256-N258 PolarHBondContact O-N 3.41Å; N258-S260 PolarHBondContact O-N 3.03Å; N258-S288 WeakPolarHBondContact OD1-CA 3.38Å; N258-S288 PolarHBondContact OD1-OG 3.35Å; N258-D289 PolarHBondContact ND2-OD2 3.48Å; N258-D289 PolarHBondContact OD1-N 3.41Å; N258-H290 PolarHBondContact OD1-CD2 2.95Å
259D91.7Very high92.2Very high49 Ų4957.8 Ų57.826%0.26231%0.312SS..  trans-66.7117.1179.8-174.2-7.9000111.4R254 A257 S261 L262R254-D259 HydrophobicContact CB-CB 4.08Å; R254-D259 PolarHBondContact O-N 2.83Å; R254-D259 VanDerWaalsContact O-N 3.1Å; A257-D259 VanDerWaalsContact C-N 3.32Å; A257-D259 PolarHBondContact O-N 3.38Å; D259-S261 PolarHBondContact O-N 3.14Å; D259-S261 VanDerWaalsContact O-N 3.14Å; D259-S261 WeakPolarHBondContact OD1-CB 3.06Å; D259-S261 PolarHBondContact OD1-N 3.11Å; D259-S261 PolarHBondContact OD1-OG 3.49Å; D259-S261 PolarHBondContact OD2-OG 3.28Å; D259-L262 PolarHBondContact O-N 2.95Å
260S90.6Very high92.1Very high85 Ų8555.5 Ų55.559%0.59429%0.29SS*.THydrogen-bonded Turntrans-61-18.1177.562.50000115N258 H290N258-S260 PolarHBondContact O-N 3.03Å; S260-H290 VanDerWaalsContact CA-CD2 3.47Å; S260-H290 WeakPolarHBondContact CA-CD2 3.47Å
261S91.7Very high91.4Very high76 Ų7661 Ų6153%0.53131%0.312SS..THydrogen-bonded Turntrans-79.9-21.4179.370.60000113.6D259 T263D259-S261 PolarHBondContact O-N 3.14Å; D259-S261 VanDerWaalsContact O-N 3.14Å; D259-S261 WeakPolarHBondContact OD1-CB 3.06Å; D259-S261 PolarHBondContact OD1-N 3.11Å; D259-S261 PolarHBondContact OD1-OG 3.49Å; D259-S261 PolarHBondContact OD2-OG 3.28Å; S261-T263 PolarHBondContact O-N 2.93Å
262L91.1Very high90.9Very high24 Ų2465.6 Ų65.613%0.12635%0.345CS..  trans-93.687.4-176.2-174.465.1000110.8R254 L255 D259 E264 V265R254-L262 HydrophobicContact CB-CD2 3.87Å; L255-L262 HydrophobicContact CD2-CD2 3.85Å; L255-L262 HydrophobicContact CG-CD2 3.77Å; D259-L262 PolarHBondContact O-N 2.95Å; L262-E264 WeakPolarHBondContact CD1-O 3.3Å; L262-V265 HydrophobicContact CD1-CG2 4.05Å; L262-V265 HydrophobicContact CD2-CG2 3.9Å; L262-V265 HydrophobicContact CG-CG2 3.95Å
263T92.9Very high90.4Very high63 Ų6366.3 Ų66.339%0.38735%0.348SS..  trans-93.3-22.9179.756.60000113.7S261 Q292 V293S261-T263 PolarHBondContact O-N 2.93Å; T263-Q292 PolarHBondContact O-N 3.47Å; T263-V293 PolarHBondContact O-N 3.33Å; T263-V293 VanDerWaalsContact O-N 3.09Å
264E94.2Very high90.1Very high88 Ų8860.8 Ų60.841%0.41134%0.335SS..EExtended strand (participates in β ladder)trans-130.3132.4-178.4176.5168.5-169.600110.4L262 V293 K295L262-E264 WeakPolarHBondContact CD1-O 3.3Å; E264-V293 WeakPolarHBondContact CA-O 3.5Å; E264-V293 HydrophobicContact CB-CB 4.06Å; E264-V293 HydrophobicContact CG-CB 3.88Å; E264-V293 HydrophobicContact CG-CG1 3.9Å; E264-K295 WeakPolarHBondContact OE1-CE 3.47Å; E264-K295 IonicContact OE1-NZ 3.51Å; E264-K295 PolarHBondContact OE1-NZ 3.41Å
265V94Very high89.9Confident2 Ų263.9 Ų63.91%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-124119.2172.9174.10000108.2L255 L262 V267 L281 L291 V293 L294 K295L255-V265 HydrophobicContact CD1-CG2 4.23Å; L255-V265 HydrophobicContact CD2-CG2 4.3Å; L262-V265 HydrophobicContact CD1-CG2 4.05Å; L262-V265 HydrophobicContact CD2-CG2 3.9Å; L262-V265 HydrophobicContact CG-CG2 3.95Å; V265-V267 HydrophobicContact CG1-CG1 4.41Å; V265-L281 HydrophobicContact CG1-CD1 4.33Å; V265-L281 HydrophobicContact CG1-CD2 4.33Å; V265-L291 HydrophobicContact CB-CD1 4.06Å; V265-L291 HydrophobicContact CG2-CD1 3.63Å; V265-V293 PolarHBondContact N-O 2.97Å; V265-L294 HydrophobicContact CB-CD1 4.05Å; V265-L294 HydrophobicContact CG1-CD1 4.03Å; V265-K295 PolarHBondContact O-N 3.49Å
266N94.1Very high89.7Confident50 Ų5071.6 Ų71.627%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-124.2109.2-178.2-178.53.6000110.8N244 T246 N268 K295N244-N266 PolarHBondContact ND2-O 2.62Å; T246-N266 WeakPolarHBondContact CB-O 3.23Å; T246-N266 PolarHBondContact OG1-O 3.1Å; T246-N266 VanDerWaalsContact OG1-O 3.13Å; N266-N268 VanDerWaalsContact OD1-CB 3.24Å; N266-N268 WeakPolarHBondContact OD1-CB 3.43Å; N266-N268 PolarHBondContact OD1-N 3.45Å; N266-N268 PolarHBondContact OD1-ND2 3.39Å; N266-K295 HydrophobicContact CB-CB 4.42Å; N266-K295 HydrophobicContact CB-CD 4.43Å
267V92.1Very high89.7Confident0 Ų068.8 Ų68.80%038%0.376CS..  trans-117.827176.1-630000111.6T246 V248 V265 M270 L273 L281 K295 L296 T299T246-V267 HydrophobicContact CG2-CG1 4.44Å; V248-V267 HydrophobicContact CG2-CG1 3.76Å; V265-V267 HydrophobicContact CG1-CG1 4.41Å; V267-M270 HydrophobicContact CB-SD 3.94Å; V267-M270 HydrophobicContact CG1-SD 4.15Å; V267-M270 WeakPolarHBondContact O-CB 3.42Å; V267-M270 PolarHBondContact O-N 2.96Å; V267-L273 HydrophobicContact CB-CD1 4.23Å; V267-L281 HydrophobicContact CG1-CD2 3.96Å; V267-L281 HydrophobicContact CG2-CD2 4.09Å; V267-K295 WeakPolarHBondContact CG2-O 3.48Å; V267-K295 PolarHBondContact N-O 3.47Å; V267-L296 HydrophobicContact CG2-CD2 3.23Å; V267-L296 HydrophobicContact CG2-CG 4.08Å; V267-T299 HydrophobicContact CG2-CG2 4.4Å; V267-T299 WeakPolarHBondContact O-CG2 3.37Å
268N92.2Very high89.6Confident30 Ų3065.3 Ų65.316%0.1635%0.346CS..THydrogen-bonded Turntrans-57.5143.9178.5-71.4-6.7000111.8N244 N266 M270 K295 L296 A297N244-N268 PolarHBondContact ND2-N 2.99Å; N244-N268 PolarHBondContact ND2-O 3.44Å; N266-N268 VanDerWaalsContact OD1-CB 3.24Å; N266-N268 WeakPolarHBondContact OD1-CB 3.43Å; N266-N268 PolarHBondContact OD1-N 3.45Å; N266-N268 PolarHBondContact OD1-ND2 3.39Å; N268-M270 PolarHBondContact O-N 3.42Å; N268-M270 VanDerWaalsContact O-N 3.11Å; N268-K295 VanDerWaalsContact OD1-CB 3.28Å; N268-K295 WeakPolarHBondContact OD1-CB 3.11Å; N268-K295 PolarHBondContact OD1-O 3.06Å; N268-L296 PolarHBondContact OD1-N 2.64Å; N268-A297 WeakPolarHBondContact CA-O 3.4Å; N268-A297 HydrophobicContact CB-CB 4.4Å; N268-A297 WeakPolarHBondContact OD1-CB 3.22Å; N268-A297 PolarHBondContact OD1-N 3.32Å
269N88.7Confident89.8Confident92 Ų9268.4 Ų68.449%0.49235%0.354SS..THydrogen-bonded Turntrans61.111.2176.7-59-48.2000115.6K271 A297 N298N269-K271 PolarHBondContact O-N 3.03Å; N269-K271 VanDerWaalsContact O-N 3.16Å; N269-A297 PolarHBondContact N-O 2.66Å; N269-N298 WeakPolarHBondContact OD1-CB 3.48Å; N269-N298 PolarHBondContact OD1-ND2 3.5Å
270M86.7Confident89.8Confident20 Ų2067.2 Ų67.210%0.09935%0.352CS..  trans-87.677.7178.5-62.3-17574.300111.8N244 T246 V248 V267 N268 S272 L273N244-M270 HydrophobicContact CB-CG 3.95Å; N244-M270 HydrophobicContact CB-SD 4.36Å; T246-M270 WeakPolarHBondContact O-CE 3.47Å; V248-M270 HydrophobicContact CG2-CE 4.02Å; V248-M270 HydrophobicContact CG2-SD 4.23Å; V267-M270 HydrophobicContact CB-SD 3.94Å; V267-M270 HydrophobicContact CG1-SD 4.15Å; V267-M270 WeakPolarHBondContact O-CB 3.42Å; V267-M270 PolarHBondContact O-N 2.96Å; N268-M270 PolarHBondContact O-N 3.42Å; N268-M270 VanDerWaalsContact O-N 3.11Å; M270-S272 PolarHBondContact O-N 3.16Å; M270-L273 HydrophobicContact CB-CD1 3.66Å; M270-L273 HydrophobicContact CB-CG 3.92Å; M270-L273 HydrophobicContact CE-CD1 4.37Å; M270-L273 HydrophobicContact CE-CD2 4.12Å; M270-L273 HydrophobicContact CE-CG 4.32Å; M270-L273 HydrophobicContact SD-CD1 4.22Å
271K78.5Confident89.9Confident143 Ų14363.2 Ų63.262%0.62232%0.324SS*.THydrogen-bonded Turntrans-73.2-12.3178.1-61.8-177.9-177.6-178.60114.2N269 L273 N298N269-K271 PolarHBondContact O-N 3.03Å; N269-K271 VanDerWaalsContact O-N 3.16Å; K271-L273 VanDerWaalsContact C-N 3.28Å; K271-N298 WeakPolarHBondContact CE-OD1 3.46Å; K271-N298 PolarHBondContact NZ-OD1 3Å
272S80.7Confident90Very high110 Ų11059.7 Ų59.777%0.76930%0.299SS*.THydrogen-bonded Turntrans-77.4-12.4179.554.30000113.6M270M270-S272 PolarHBondContact O-N 3.16Å
273L83.4Confident90.1Very high26 Ų2663.8 Ų63.814%0.13632%0.317CS..SBendtrans-68.7135.8-178.3-65.7172.9000111.2V248 V267 M270 K271 L278V248-L273 HydrophobicContact CB-CD2 3.97Å; V248-L273 HydrophobicContact CG1-CD2 4.28Å; V248-L273 HydrophobicContact CG2-CD1 3.81Å; V248-L273 HydrophobicContact CG2-CD2 3.49Å; V248-L273 VanDerWaalsContact CG2-CD2 3.49Å; V248-L273 HydrophobicContact CG2-CG 4.29Å; V267-L273 HydrophobicContact CB-CD1 4.23Å; M270-L273 HydrophobicContact CB-CD1 3.66Å; M270-L273 HydrophobicContact CB-CG 3.92Å; M270-L273 HydrophobicContact CE-CD1 4.37Å; M270-L273 HydrophobicContact CE-CD2 4.12Å; M270-L273 HydrophobicContact CE-CG 4.32Å; M270-L273 HydrophobicContact SD-CD1 4.22Å; K271-L273 VanDerWaalsContact C-N 3.28Å; L273-L278 HydrophobicContact CB-CD2 4.49Å; L273-L278 HydrophobicContact CB-CG 4.17Å; L273-L278 HydrophobicContact CD1-CD2 3.89Å; L273-L278 HydrophobicContact CD1-CG 4.45Å
274S88.4Confident90.1Very high50 Ų5060.9 Ų60.935%0.3530%0.299SS..  trans-69.6151.6170.869.10000110.1E276 E277 L278S274-E276 PolarHBondContact O-N 2.97Å; S274-E277 WeakPolarHBondContact CB-OE2 3.49Å; S274-E277 PolarHBondContact N-OE2 3.12Å; S274-E277 PolarHBondContact O-N 3.45Å; S274-E277 WeakPolarHBondContact OG-CB 3.43Å; S274-E277 WeakPolarHBondContact OG-CG 3.45Å; S274-E277 PolarHBondContact OG-N 3.46Å; S274-E277 PolarHBondContact OG-OE2 2.99Å; S274-L278 PolarHBondContact O-N 3.33Å; S274-L278 VanDerWaalsContact O-N 3.16Å
275R87.5Confident90Very high163 Ų16356.8 Ų56.862%0.61528%0.28SS*.Hα-helixtrans-61.9-31.3177.4-62.9-178.7-126.3178.41.3111.9L278 R279 D305R275-L278 PolarHBondContact O-N 3.23Å; R275-R279 VanDerWaalsContact O-CG 3.29Å; R275-R279 WeakPolarHBondContact O-CG 3.06Å; R275-R279 PolarHBondContact O-N 3.4Å; R275-D305 WeakPolarHBondContact CD-OD2 3.16Å
276E90.4Very high89.9Confident162 Ų16256.9 Ų56.976%0.75728%0.282SS*.Hα-helixtrans-67.2-41.8176.8-66.3179.6-173.300111.9S274 R279 A280S274-E276 PolarHBondContact O-N 2.97Å; E276-R279 PolarHBondContact O-N 3.01Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.29Å; E276-A280 PolarHBondContact O-N 3.34Å
277E91.5Very high89.6Confident87 Ų8757.6 Ų57.641%0.40729%0.29SS..Hα-helixtrans-64.1-41.5175.1-73.4162.814500111.8S274 A280 L281S274-E277 WeakPolarHBondContact CB-OE2 3.49Å; S274-E277 PolarHBondContact N-OE2 3.12Å; S274-E277 PolarHBondContact O-N 3.45Å; S274-E277 WeakPolarHBondContact OG-CB 3.43Å; S274-E277 WeakPolarHBondContact OG-CG 3.45Å; S274-E277 PolarHBondContact OG-N 3.46Å; S274-E277 PolarHBondContact OG-OE2 2.99Å; E277-A280 PolarHBondContact O-N 3.15Å; E277-L281 VanDerWaalsContact O-CB 3.31Å; E277-L281 WeakPolarHBondContact O-CB 3.4Å; E277-L281 PolarHBondContact O-N 2.82Å
278L91.9Very high89.5Confident4 Ų457.7 Ų57.72%0.02129%0.291CS..Hα-helixtrans-62.2-45.7175.5-75.9171.4000111.8L273 S274 R275 L281 I282 L296L273-L278 HydrophobicContact CB-CD2 4.49Å; L273-L278 HydrophobicContact CB-CG 4.17Å; L273-L278 HydrophobicContact CD1-CD2 3.89Å; L273-L278 HydrophobicContact CD1-CG 4.45Å; S274-L278 PolarHBondContact O-N 3.33Å; S274-L278 VanDerWaalsContact O-N 3.16Å; R275-L278 PolarHBondContact O-N 3.23Å; L278-L281 PolarHBondContact O-N 3.15Å; L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.1Å; L278-I282 PolarHBondContact O-N 2.63Å; L278-L296 HydrophobicContact CD2-CD2 4.1Å
279R92.7Very high89.3Confident112 Ų11260.6 Ų60.642%0.42331%0.306SS..Hα-helixtrans-62.7-45.1176.4-70.2176.783.6166.97111.4R275 E276 L281 I282 E283 D305R275-R279 VanDerWaalsContact O-CG 3.29Å; R275-R279 WeakPolarHBondContact O-CG 3.06Å; R275-R279 PolarHBondContact O-N 3.4Å; E276-R279 PolarHBondContact O-N 3.01Å; R279-L281 VanDerWaalsContact C-N 3.3Å; R279-L281 PolarHBondContact O-N 3.31Å; R279-I282 PolarHBondContact O-N 3.29Å; R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 WeakPolarHBondContact O-CG 3.4Å; R279-E283 PolarHBondContact O-N 3.06Å; R279-D305 HydrophobicContact CG-CB 4.03Å
280A92.9Very high89.5Confident25 Ų2559.9 Ų59.921%0.20730%0.3CS..Hα-helixtrans-61.5-37.3177.100000112.6T252 E276 E277 A284T252-A280 HydrophobicContact CG2-CB 4.46Å; E276-A280 VanDerWaalsContact O-CB 3.23Å; E276-A280 WeakPolarHBondContact O-CB 3.29Å; E276-A280 PolarHBondContact O-N 3.34Å; E277-A280 PolarHBondContact O-N 3.15Å; A280-A284 WeakPolarHBondContact O-CB 3.4Å; A280-A284 PolarHBondContact O-N 3.22Å
281L93.5Very high89.8Confident1 Ų159.1 Ų59.11%0.00530%0.296CS..Hα-helixtrans-66-46.2174.9-178.671.1000111.1V248 C251 T252 L255 V265 V267 E277 L278 R279 A284 A285 L296V248-L281 HydrophobicContact CG1-CB 4.45Å; V248-L281 HydrophobicContact CG1-CD1 4.4Å; V248-L281 HydrophobicContact CG1-CD2 4.29Å; C251-L281 HydrophobicContact CB-CD1 4.16Å; T252-L281 WeakPolarHBondContact OG1-CD1 3.39Å; L255-L281 HydrophobicContact CD1-CD1 3.73Å; V265-L281 HydrophobicContact CG1-CD1 4.33Å; V265-L281 HydrophobicContact CG1-CD2 4.33Å; V267-L281 HydrophobicContact CG1-CD2 3.96Å; V267-L281 HydrophobicContact CG2-CD2 4.09Å; E277-L281 VanDerWaalsContact O-CB 3.31Å; E277-L281 WeakPolarHBondContact O-CB 3.4Å; E277-L281 PolarHBondContact O-N 2.82Å; L278-L281 PolarHBondContact O-N 3.15Å; R279-L281 VanDerWaalsContact C-N 3.3Å; R279-L281 PolarHBondContact O-N 3.31Å; L281-A284 PolarHBondContact O-N 3.18Å; L281-A285 VanDerWaalsContact O-CB 3.3Å; L281-A285 WeakPolarHBondContact O-CB 3.32Å; L281-A285 PolarHBondContact O-N 2.85Å; L281-L296 HydrophobicContact CD2-CD2 4.34Å
282I93.4Very high90.6Very high1 Ų156.1 Ų56.11%0.00528%0.284CS..Hα-helixtrans-63.8-44.9178.5-67.7165000110.8L278 R279 A284 A285 A286 L296 L301 L309L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.1Å; L278-I282 PolarHBondContact O-N 2.63Å; R279-I282 PolarHBondContact O-N 3.29Å; I282-A284 VanDerWaalsContact C-N 3.34Å; I282-A284 PolarHBondContact O-N 3.3Å; I282-A285 PolarHBondContact O-N 3.44Å; I282-A286 PolarHBondContact O-N 2.9Å; I282-L296 HydrophobicContact CG1-CD1 4.36Å; I282-L301 HydrophobicContact CD1-CD1 4.17Å; I282-L309 HydrophobicContact CD1-CD2 4.43Å; I282-L309 HydrophobicContact CD1-CG 4.2Å; I282-L309 HydrophobicContact CG1-CD2 4.16Å; I282-L309 HydrophobicContact CG1-CG 4.42Å; I282-L309 HydrophobicContact CG2-CD2 3.92Å; I282-L309 HydrophobicContact CG2-CG 4Å
283E92.4Very high91.3Very high111 Ų11152 Ų5252%0.51925%0.254SS..Hα-helixtrans-62.4-40.6175.2-73.7173.3-168.700111.9R279 A286R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 WeakPolarHBondContact O-CG 3.4Å; R279-E283 PolarHBondContact O-N 3.06Å; E283-A286 WeakPolarHBondContact O-CB 3.45Å; E283-A286 PolarHBondContact O-N 3.16Å
284A92.8Very high91.9Very high1 Ų150.8 Ų50.81%0.00825%0.248CC..Hα-helixtrans-65.7-40.2174.800000111.9T252 L255 R256 A280 L281 I282 A286 C287T252-A284 HydrophobicContact CG2-CB 3.71Å; L255-A284 HydrophobicContact CB-CB 3.88Å; L255-A284 HydrophobicContact CD1-CB 4.41Å; R256-A284 HydrophobicContact CG-CB 3.66Å; A280-A284 WeakPolarHBondContact O-CB 3.4Å; A280-A284 PolarHBondContact O-N 3.22Å; L281-A284 PolarHBondContact O-N 3.18Å; I282-A284 VanDerWaalsContact C-N 3.34Å; I282-A284 PolarHBondContact O-N 3.3Å; A284-A286 PolarHBondContact O-N 2.9Å; A284-C287 WeakPolarHBondContact O-CB 3.42Å; A284-C287 PolarHBondContact O-N 3.05Å
285A92.9Very high92.2Very high2 Ų251.5 Ų51.52%0.01725%0.245CC..Hα-helixtrans-62.9-32.4177.600000111.7L255 L281 I282 C287 S288 L291 L312L255-A285 HydrophobicContact CD1-CB 4.02Å; L281-A285 VanDerWaalsContact O-CB 3.3Å; L281-A285 WeakPolarHBondContact O-CB 3.32Å; L281-A285 PolarHBondContact O-N 2.85Å; I282-A285 PolarHBondContact O-N 3.44Å; A285-C287 PolarHBondContact O-N 3.25Å; A285-S288 PolarHBondContact O-N 3Å; A285-L291 HydrophobicContact CB-CD2 3.72Å; A285-L312 HydrophobicContact CB-CD1 3.38Å
286A90.5Very high92.5Very high5 Ų543.7 Ų43.74%0.04122%0.215CC..THydrogen-bonded Turntrans-64.6-23.9173.900000112.7I282 E283 A284 L312 R315I282-A286 PolarHBondContact O-N 2.9Å; E283-A286 WeakPolarHBondContact O-CB 3.45Å; E283-A286 PolarHBondContact O-N 3.16Å; A284-A286 PolarHBondContact O-N 2.9Å; A286-L312 HydrophobicContact CB-CB 3.98Å; A286-L312 HydrophobicContact CB-CD1 4.46Å; A286-L312 HydrophobicContact CB-CG 4.27Å; A286-R315 VanDerWaalsContact CB-NH2 3.29Å; A286-R315 PolarHBondContact O-NE 3.45Å; A286-R315 PolarHBondContact O-NH2 3.44Å
287C87.7Confident92.7Very high65 Ų6536.5 Ų36.544%0.43918%0.183SC..THydrogen-bonded Turntrans-86.5-11-179.6-65.80000113.7A284 A285 R315A284-C287 WeakPolarHBondContact O-CB 3.42Å; A284-C287 PolarHBondContact O-N 3.05Å; A285-C287 PolarHBondContact O-N 3.25Å; C287-R315 PolarHBondContact SG-NH2 2.88Å
288S89.9Confident92.7Very high2 Ų234.5 Ų34.51%0.01418%0.176CC..  trans-91.8136.1-178.1-177.40000111.4N258 A285 H290N258-S288 WeakPolarHBondContact OD1-CA 3.38Å; N258-S288 PolarHBondContact OD1-OG 3.35Å; A285-S288 PolarHBondContact O-N 3Å; S288-H290 PolarHBondContact OG-N 3.35Å
289D89.5Confident92.6Very high91 Ų9134.6 Ų34.649%0.48718%0.176SC..SBendtrans-95.6-3.6175.2-58.6-47.5000112.4N258 S318N258-D289 PolarHBondContact ND2-OD2 3.48Å; N258-D289 PolarHBondContact OD1-N 3.41Å; D289-S318 VanDerWaalsContact C-OG 3.25Å; D289-S318 WeakPolarHBondContact O-CB 3.23Å; D289-S318 PolarHBondContact O-OG 3.04Å
290H92.9Very high92.5Very high76 Ų7631.6 Ų31.635%0.35218%0.176SC..SBendtrans-110.8-13.2-171.9-61.3-55.2000114.2N258 S260 S288 Q292N258-H290 PolarHBondContact OD1-CD2 2.95Å; S260-H290 VanDerWaalsContact CA-CD2 3.47Å; S260-H290 WeakPolarHBondContact CA-CD2 3.47Å; S288-H290 PolarHBondContact OG-N 3.35Å; H290-Q292 PolarHBondContact O-N 3Å
291L93.5Very high92.5Very high4 Ų430.4 Ų30.42%0.02117%0.166CC..  trans-67.5117179.8-174.466.7000111.1L255 V265 A285 V293 L294 S318 L319L255-L291 HydrophobicContact CD2-CB 4.38Å; L255-L291 HydrophobicContact CD2-CD1 4.28Å; L255-L291 HydrophobicContact CD2-CD2 4.18Å; V265-L291 HydrophobicContact CB-CD1 4.06Å; V265-L291 HydrophobicContact CG2-CD1 3.63Å; A285-L291 HydrophobicContact CB-CD2 3.72Å; L291-V293 WeakPolarHBondContact CD1-O 3.46Å; L291-L294 HydrophobicContact CD2-CB 4.29Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L291-S318 CarbonylContact O-C 3.55Å; L291-S318 VanDerWaalsContact O-C 3.31Å; L291-S318 PolarHBondContact O-OG 3.15Å; L291-L319 HydrophobicContact CD2-CD1 4.18Å; L291-L319 HydrophobicContact CG-CD1 4.03Å; L291-L319 WeakPolarHBondContact O-CA 3.48Å; L291-L319 PolarHBondContact O-N 3.5Å
292Q94.1Very high92.4Very high80 Ų8033.5 Ų33.537%0.37418%0.182SC..  trans-101.5-33.8178.7-62.7-176.318.600112.2T263 H290 K320 N321T263-Q292 PolarHBondContact O-N 3.47Å; H290-Q292 PolarHBondContact O-N 3Å; Q292-K320 PolarHBondContact O-N 3.13Å; Q292-N321 PolarHBondContact O-N 3.49Å
293V95.8Very high92.4Very high24 Ų2436 Ų3615%0.14520%0.195CC..EExtended strand (participates in β ladder)trans-129.6121.7-172.6-178.60000109.9T263 E264 V265 L291 K295 N321T263-V293 PolarHBondContact O-N 3.33Å; T263-V293 VanDerWaalsContact O-N 3.09Å; E264-V293 WeakPolarHBondContact CA-O 3.5Å; E264-V293 HydrophobicContact CB-CB 4.06Å; E264-V293 HydrophobicContact CG-CB 3.88Å; E264-V293 HydrophobicContact CG-CG1 3.9Å; V265-V293 PolarHBondContact N-O 2.97Å; L291-V293 WeakPolarHBondContact CD1-O 3.46Å; V293-K295 HydrophobicContact CG1-CD 4.18Å; V293-K295 HydrophobicContact CG1-CG 3.98Å; V293-N321 WeakPolarHBondContact CA-O 3.24Å; V293-N321 HydrophobicContact CG1-CB 4.26Å; V293-N321 HydrophobicContact CG2-CB 4.17Å
294L95.3Very high92.3Very high1 Ų134 Ų341%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-124.4118175.4-179.660.7000109.9V265 L291 L296 L309 L312 L319 N321 L322 N323V265-L294 HydrophobicContact CB-CD1 4.05Å; V265-L294 HydrophobicContact CG1-CD1 4.03Å; L291-L294 HydrophobicContact CD2-CB 4.29Å; L291-L294 HydrophobicContact CD2-CD1 4.49Å; L294-L296 HydrophobicContact CD1-CD1 4.27Å; L294-L296 HydrophobicContact CD1-CG 4.28Å; L294-L296 HydrophobicContact CD2-CD1 3.93Å; L294-L296 HydrophobicContact CG-CD1 3.91Å; L294-L296 HydrophobicContact CG-CG 4.26Å; L294-L309 HydrophobicContact CD2-CD2 3.91Å; L294-L312 HydrophobicContact CD2-CD1 4.14Å; L294-L319 HydrophobicContact CB-CD1 3.85Å; L294-N321 PolarHBondContact N-O 3.25Å; L294-L322 HydrophobicContact CB-CD1 4.14Å; L294-L322 HydrophobicContact CD2-CD1 4.01Å; L294-L322 HydrophobicContact CG-CD1 4.16Å; L294-L322 WeakPolarHBondContact O-CA 3.31Å; L294-N323 PolarHBondContact O-N 3.27Å
295K95.4Very high92.3Very high64 Ų6434.3 Ų34.328%0.27820%0.195SC..EExtended strand (participates in β ladder)trans-121.4118.6-178.3-59.1173.1175.5158.30110.8E264 V265 N266 V267 N268 V293 N323E264-K295 WeakPolarHBondContact OE1-CE 3.47Å; E264-K295 IonicContact OE1-NZ 3.51Å; E264-K295 PolarHBondContact OE1-NZ 3.41Å; V265-K295 PolarHBondContact O-N 3.49Å; N266-K295 HydrophobicContact CB-CB 4.42Å; N266-K295 HydrophobicContact CB-CD 4.43Å; V267-K295 WeakPolarHBondContact CG2-O 3.48Å; V267-K295 PolarHBondContact N-O 3.47Å; N268-K295 VanDerWaalsContact OD1-CB 3.28Å; N268-K295 WeakPolarHBondContact OD1-CB 3.11Å; N268-K295 PolarHBondContact OD1-O 3.06Å; V293-K295 HydrophobicContact CG1-CD 4.18Å; V293-K295 HydrophobicContact CG1-CG 3.98Å; K295-N323 HydrophobicContact CB-CB 4.28Å; K295-N323 HydrophobicContact CG-CB 4.09Å
296L94.2Very high92.2Very high0 Ų034.2 Ų34.20%019%0.194CC..  trans-128.827.4-174-67.4157.3000111.4V267 N268 L278 L281 I282 L294 T299 L309 N323 V324 N327V267-L296 HydrophobicContact CG2-CD2 3.23Å; V267-L296 HydrophobicContact CG2-CG 4.08Å; N268-L296 PolarHBondContact OD1-N 2.64Å; L278-L296 HydrophobicContact CD2-CD2 4.1Å; L281-L296 HydrophobicContact CD2-CD2 4.34Å; I282-L296 HydrophobicContact CG1-CD1 4.36Å; L294-L296 HydrophobicContact CD1-CD1 4.27Å; L294-L296 HydrophobicContact CD1-CG 4.28Å; L294-L296 HydrophobicContact CD2-CD1 3.93Å; L294-L296 HydrophobicContact CG-CD1 3.91Å; L294-L296 HydrophobicContact CG-CG 4.26Å; L296-T299 PolarHBondContact O-OG1 3.43Å; L296-L309 HydrophobicContact CD1-CD1 4.43Å; L296-L309 HydrophobicContact CD1-CD2 4.07Å; L296-N323 PolarHBondContact N-O 3.14Å; L296-V324 HydrophobicContact CB-CG1 4.44Å; L296-V324 HydrophobicContact CD1-CG1 4.46Å; L296-N327 PolarHBondContact O-ND2 2.99Å
297A93.4Very high92.3Very high10 Ų1036.4 Ų36.48%0.08321%0.212CC..THydrogen-bonded Turntrans-67.9138.8-174.500000112N268 N269 T299 E325N268-A297 WeakPolarHBondContact CA-O 3.4Å; N268-A297 HydrophobicContact CB-CB 4.4Å; N268-A297 WeakPolarHBondContact OD1-CB 3.22Å; N268-A297 PolarHBondContact OD1-N 3.32Å; N269-A297 PolarHBondContact N-O 2.66Å; A297-T299 VanDerWaalsContact C-N 3.29Å; A297-T299 PolarHBondContact O-N 2.97Å; A297-E325 CarbonylContact C-O 3.37Å; A297-E325 VanDerWaalsContact CA-O 3.26Å; A297-E325 WeakPolarHBondContact CA-O 3.3Å; A297-E325 HydrophobicContact CB-CB 4.27Å
298N92Very high92.5Very high46 Ų4634 Ų3425%0.24620%0.199CC..THydrogen-bonded Turntrans54.839.1176.4-169.729.9000114.2N269 K271 E325 S326N269-N298 WeakPolarHBondContact OD1-CB 3.48Å; N269-N298 PolarHBondContact OD1-ND2 3.5Å; K271-N298 WeakPolarHBondContact CE-OD1 3.46Å; K271-N298 PolarHBondContact NZ-OD1 3Å; N298-E325 PolarHBondContact N-O 3.06Å; N298-S326 WeakPolarHBondContact CA-O 3.31Å
299T90.6Very high92.7Very high6 Ų634 Ų344%0.03720%0.198CC..SBendtrans-100.46.8178.154.50000113.2V267 L296 A297 L301 N327V267-T299 HydrophobicContact CG2-CG2 4.4Å; V267-T299 WeakPolarHBondContact O-CG2 3.37Å; L296-T299 PolarHBondContact O-OG1 3.43Å; A297-T299 VanDerWaalsContact C-N 3.29Å; A297-T299 PolarHBondContact O-N 2.97Å; T299-L301 VanDerWaalsContact C-N 3.3Å; T299-L301 PolarHBondContact O-N 2.79Å; T299-N327 PolarHBondContact N-OD1 3.28Å; T299-N327 VanDerWaalsContact N-OD1 3.09Å; T299-N327 PolarHBondContact OG1-OD1 3.22Å
300A90.3Very high92.9Very high49 Ų4931.5 Ų31.541%0.40519%0.186SC..  trans6232.9-175.900000114L302 N327 F328A300-L302 PolarHBondContact O-N 2.93Å; A300-N327 PolarHBondContact N-OD1 3.33Å; A300-N327 VanDerWaalsContact N-OD1 3.11Å; A300-F328 HydrophobicContact CB-CD2 4.04Å; A300-F328 HydrophobicContact CB-CE2 3.61Å
301L91.7Very high92.8Very high0 Ų033.1 Ų33.10%019%0.194CC..  trans-67.1128.9-178.8-164.970.4000111.8I282 T299 D305 A306 L309 N327 F328 L329I282-L301 HydrophobicContact CD1-CD1 4.17Å; T299-L301 VanDerWaalsContact C-N 3.3Å; T299-L301 PolarHBondContact O-N 2.79Å; L301-D305 HydrophobicContact CD1-CB 3.85Å; L301-A306 HydrophobicContact CD1-CB 4.47Å; L301-A306 HydrophobicContact CD2-CB 3.67Å; L301-A306 HydrophobicContact CG-CB 3.89Å; L301-L309 HydrophobicContact CD2-CD1 4.03Å; L301-N327 HydrophobicContact CB-CB 4.08Å; L301-N327 PolarHBondContact N-OD1 3.14Å; L301-F328 CarbonylContact O-C 3.53Å; L301-F328 WeakPolarHBondContact O-CA 3.5Å; L301-F328 WeakPolarHBondContact O-CB 3.47Å; L301-F328 PolarHBondContact O-N 3.5Å; L301-L329 HydrophobicContact CD2-CD2 4.29Å; L301-L329 HydrophobicContact CG-CD2 4.35Å
302L92.2Very high92.8Very high66 Ų6633 Ų3335%0.34619%0.193SC..BIsolated β-bridgetrans-103.3159174-66.8164.2000110.4A300 S304 D305 A306 F328A300-L302 PolarHBondContact O-N 2.93Å; L302-S304 PolarHBondContact O-N 3.29Å; L302-S304 VanDerWaalsContact O-N 3.12Å; L302-D305 PolarHBondContact O-N 3.1Å; L302-A306 WeakPolarHBondContact O-CB 3.41Å; L302-A306 PolarHBondContact O-N 3.39Å; L302-F328 HydrophobicContact CD2-CB 3.66Å; L302-F328 HydrophobicContact CD2-CG 4.31Å; L302-F328 HydrophobicContact CG-CB 4.49Å
303D92.9Very high92.7Very high53 Ų5329.3 Ų29.328%0.28318%0.176SC..Hα-helixtrans-50.9-38.3177.3-66.11.9000113.6D305 A306 A307 L329 S330 F333D303-D305 VanDerWaalsContact C-N 3.33Å; D303-D305 PolarHBondContact O-N 2.64Å; D303-A306 PolarHBondContact O-N 3.03Å; D303-A307 PolarHBondContact O-N 3.14Å; D303-L329 VanDerWaalsContact OD1-CA 3.24Å; D303-L329 WeakPolarHBondContact OD1-CA 3.49Å; D303-S330 PolarHBondContact OD1-N 3.17Å; D303-S330 WeakPolarHBondContact OD2-CB 3.23Å; D303-S330 PolarHBondContact OD2-OG 3.22Å; D303-F333 HydrophobicContact CB-CB 4.41Å; D303-F333 HydrophobicContact CB-CD2 4.35Å; D303-F333 HydrophobicContact CB-CG 4.39Å
304S91.3Very high92.6Very high68 Ų6831.1 Ų31.148%0.47619%0.188SC..Hα-helixtrans-66.8-33.8179.658.30000113.6L302L302-S304 PolarHBondContact O-N 3.29Å; L302-S304 VanDerWaalsContact O-N 3.12Å
305D91.2Very high92.3Very high9 Ų936.7 Ų36.75%0.04821%0.209CC..Hα-helixtrans-86-31.7-178.5-57.5-29.8000109.9R275 R279 L301 L302 D303 A307R275-D305 WeakPolarHBondContact CD-OD2 3.16Å; R279-D305 HydrophobicContact CG-CB 4.03Å; L301-D305 HydrophobicContact CD1-CB 3.85Å; L302-D305 PolarHBondContact O-N 3.1Å; D303-D305 VanDerWaalsContact C-N 3.33Å; D303-D305 PolarHBondContact O-N 2.64Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.95Å
306A91.9Very high91.9Very high0 Ų033.9 Ų33.90%020%0.197CC..Hα-helixtrans-75.5-12.5177.100000114.3L301 L302 D303 G308 L309 L329 F333L301-A306 HydrophobicContact CD1-CB 4.47Å; L301-A306 HydrophobicContact CD2-CB 3.67Å; L301-A306 HydrophobicContact CG-CB 3.89Å; L302-A306 WeakPolarHBondContact O-CB 3.41Å; L302-A306 PolarHBondContact O-N 3.39Å; D303-A306 PolarHBondContact O-N 3.03Å; A306-G308 PolarHBondContact O-N 2.74Å; A306-L309 HydrophobicContact CB-CD1 4.23Å; A306-L309 VanDerWaalsContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CB 3.4Å; A306-L309 PolarHBondContact O-N 3.27Å; A306-L329 HydrophobicContact CB-CD2 3.65Å; A306-F333 HydrophobicContact CB-CD1 4.36Å; A306-F333 HydrophobicContact CB-CE1 3.51Å; A306-F333 HydrophobicContact CB-CE2 4.12Å; A306-F333 HydrophobicContact CB-CZ 3.38Å; A306-F333 VanDerWaalsContact O-CZ 3.27Å; A306-F333 WeakPolarHBondContact O-CZ 3.48Å
307A91.8Very high91.6Very high51 Ų5137.6 Ų37.642%0.42122%0.223SC..Hα-helixtrans-50.3-35.2-176.400000113.8D303 D305 L309 V310D303-A307 PolarHBondContact O-N 3.14Å; D305-A307 VanDerWaalsContact C-N 3.32Å; D305-A307 PolarHBondContact O-N 2.95Å; A307-L309 PolarHBondContact O-N 3.44Å; A307-V310 WeakPolarHBondContact O-CB 3.2Å; A307-V310 PolarHBondContact O-N 3.46Å
308G91.9Very high91.5Very high15 Ų1538.2 Ų38.216%0.15523%0.226CC..Hα-helixtrans-64.6-21176.100000114.5A306 V310 E311 L312A306-G308 PolarHBondContact O-N 2.74Å; G308-V310 VanDerWaalsContact C-N 3.3Å; G308-V310 PolarHBondContact O-N 3.37Å; G308-E311 PolarHBondContact O-N 3.17Å; G308-L312 VanDerWaalsContact O-CB 3.29Å; G308-L312 WeakPolarHBondContact O-CB 3.27Å; G308-L312 PolarHBondContact O-N 3.08Å
309L94Very high91.6Very high0 Ų036 Ų360%022%0.215CC..Hα-helixtrans-67.8-31.8175.8-68.4173.9000111.9I282 L294 L296 L301 A306 A307 L312 L313 L322 V324 L337I282-L309 HydrophobicContact CD1-CD2 4.43Å; I282-L309 HydrophobicContact CD1-CG 4.2Å; I282-L309 HydrophobicContact CG1-CD2 4.16Å; I282-L309 HydrophobicContact CG1-CG 4.42Å; I282-L309 HydrophobicContact CG2-CD2 3.92Å; I282-L309 HydrophobicContact CG2-CG 4Å; L294-L309 HydrophobicContact CD2-CD2 3.91Å; L296-L309 HydrophobicContact CD1-CD1 4.43Å; L296-L309 HydrophobicContact CD1-CD2 4.07Å; L301-L309 HydrophobicContact CD2-CD1 4.03Å; A306-L309 HydrophobicContact CB-CD1 4.23Å; A306-L309 VanDerWaalsContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CB 3.4Å; A306-L309 PolarHBondContact O-N 3.27Å; A307-L309 PolarHBondContact O-N 3.44Å; L309-L312 PolarHBondContact O-N 2.81Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.2Å; L309-L322 HydrophobicContact CD2-CD1 4.28Å; L309-V324 HydrophobicContact CD1-CG1 3.83Å; L309-L337 HydrophobicContact CB-CD1 3.75Å
310V93.9Very high91.7Very high39 Ų3940.3 Ų40.324%0.23623%0.233CC..Hα-helixtrans-67-44.2175.6-179.30000109.7A307 G308 T314 F333 L337 A340A307-V310 WeakPolarHBondContact O-CB 3.2Å; A307-V310 PolarHBondContact O-N 3.46Å; G308-V310 VanDerWaalsContact C-N 3.3Å; G308-V310 PolarHBondContact O-N 3.37Å; V310-T314 WeakPolarHBondContact O-CB 3.34Å; V310-T314 PolarHBondContact O-N 2.82Å; V310-T314 VanDerWaalsContact O-N 3.12Å; V310-T314 PolarHBondContact O-OG1 2.92Å; V310-F333 HydrophobicContact CG2-CE2 3.73Å; V310-F333 HydrophobicContact CG2-CZ 3.87Å; V310-L337 HydrophobicContact CG2-CD1 4.36Å; V310-A340 HydrophobicContact CG1-CB 3.79Å
311E91.8Very high91.9Very high110 Ų11040.1 Ų40.151%0.51423%0.225SC..Hα-helixtrans-64.2-42.8174.1-172.6-179.8166.600111.2G308 T314 R315G308-E311 PolarHBondContact O-N 3.17Å; E311-T314 PolarHBondContact O-N 3.24Å; E311-R315 WeakPolarHBondContact O-CB 3.41Å; E311-R315 PolarHBondContact O-N 3.08Å; E311-R315 IonicContact OE1-NH1 3.61Å
312L92.5Very high92.1Very high2 Ų240.2 Ų40.21%0.0123%0.225CC..Hα-helixtrans-56.3-54176.3-177.3151.1000111.1A285 A286 L294 G308 L309 T314 R315 S316 L319A285-L312 HydrophobicContact CB-CD1 3.38Å; A286-L312 HydrophobicContact CB-CB 3.98Å; A286-L312 HydrophobicContact CB-CD1 4.46Å; A286-L312 HydrophobicContact CB-CG 4.27Å; L294-L312 HydrophobicContact CD2-CD1 4.14Å; G308-L312 VanDerWaalsContact O-CB 3.29Å; G308-L312 WeakPolarHBondContact O-CB 3.27Å; G308-L312 PolarHBondContact O-N 3.08Å; L309-L312 PolarHBondContact O-N 2.81Å; L312-T314 VanDerWaalsContact C-N 3.27Å; L312-T314 PolarHBondContact O-N 2.7Å; L312-R315 PolarHBondContact O-N 3.08Å; L312-R315 VanDerWaalsContact O-N 3.13Å; L312-S316 WeakPolarHBondContact O-CB 3.32Å; L312-S316 PolarHBondContact O-N 2.86Å; L312-S316 PolarHBondContact O-OG 2.83Å; L312-L319 HydrophobicContact CD2-CD2 3.71Å
313L92.7Very high92.3Very high3 Ų338 Ų382%0.01621%0.214CC..Hα-helixtrans-64.2-32.6-179.1-72176.1000112.8L309 R315 L319 L322 L337 A340 A341 N344 L347L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.2Å; L313-R315 VanDerWaalsContact C-N 3.34Å; L313-L319 HydrophobicContact CD2-CD2 3.79Å; L313-L322 HydrophobicContact CD1-CD2 4.12Å; L313-L322 HydrophobicContact CD2-CD2 4.37Å; L313-L337 HydrophobicContact CD1-CD1 3.44Å; L313-L337 VanDerWaalsContact CD1-CD1 3.44Å; L313-L337 HydrophobicContact CD1-CG 3.7Å; L313-L337 WeakPolarHBondContact CD1-O 3.44Å; L313-L337 HydrophobicContact CG-CD1 4.48Å; L313-A340 HydrophobicContact CB-CB 4.11Å; L313-A341 HydrophobicContact CD1-CB 4.26Å; L313-N344 PolarHBondContact O-ND2 3.31Å; L313-N344 VanDerWaalsContact O-ND2 3.12Å; L313-L347 HydrophobicContact CD2-CD1 4.38Å; L313-L347 HydrophobicContact CD2-CD2 4.2Å
314T92.6Very high92.4Very high62 Ų6235.5 Ų35.538%0.3820%0.201SC..Hα-helixtrans-70.2-30.9176.9-53.90000111.9V310 E311 L312 V343 N344V310-T314 WeakPolarHBondContact O-CB 3.34Å; V310-T314 PolarHBondContact O-N 2.82Å; V310-T314 VanDerWaalsContact O-N 3.12Å; V310-T314 PolarHBondContact O-OG1 2.92Å; E311-T314 PolarHBondContact O-N 3.24Å; L312-T314 VanDerWaalsContact C-N 3.27Å; L312-T314 PolarHBondContact O-N 2.7Å; T314-V343 HydrophobicContact CG2-CG1 4.31Å; T314-V343 HydrophobicContact CG2-CG2 4.47Å; T314-N344 PolarHBondContact O-ND2 3.47Å
315R90.7Very high92.5Very high118 Ų11834.4 Ų34.445%0.44519%0.188SC..Hα-helixtrans-98.4-34.9-177.4-170.2164.974.3-163.77.4114A286 C287 E311 L312 L313A286-R315 VanDerWaalsContact CB-NH2 3.29Å; A286-R315 PolarHBondContact O-NE 3.45Å; A286-R315 PolarHBondContact O-NH2 3.44Å; C287-R315 PolarHBondContact SG-NH2 2.88Å; E311-R315 WeakPolarHBondContact O-CB 3.41Å; E311-R315 PolarHBondContact O-N 3.08Å; E311-R315 IonicContact OE1-NH1 3.61Å; L312-R315 PolarHBondContact O-N 3.08Å; L312-R315 VanDerWaalsContact O-N 3.13Å; L313-R315 VanDerWaalsContact C-N 3.34Å
316S87Confident92.6Very high5 Ų536 Ų364%0.03520%0.2CC..  trans-75.7128.1-171.569.50000111.2L312 N344L312-S316 WeakPolarHBondContact O-CB 3.32Å; L312-S316 PolarHBondContact O-N 2.86Å; L312-S316 PolarHBondContact O-OG 2.83Å; S316-N344 PolarHBondContact O-ND2 2.99Å
317S86.6Confident92.7Very high78 Ų7836.1 Ų36.155%0.54520%0.2SC..SBendtrans-99.8-4.1174.157.90000113.7T346S317-T346 WeakPolarHBondContact O-CG2 3.3Å
318S91.4Very high92.8Very high22 Ų2237.6 Ų37.615%0.15420%0.198CC..SBendtrans-112.6-19.5-169.850.20000115.3D289 L291 K320D289-S318 VanDerWaalsContact C-OG 3.25Å; D289-S318 WeakPolarHBondContact O-CB 3.23Å; D289-S318 PolarHBondContact O-OG 3.04Å; L291-S318 CarbonylContact O-C 3.55Å; L291-S318 VanDerWaalsContact O-C 3.31Å; L291-S318 PolarHBondContact O-OG 3.15Å; S318-K320 PolarHBondContact O-N 2.95Å
319L93.8Very high92.9Very high1 Ų137 Ų371%0.00519%0.191CC..  trans-69.7119.1-176.6-164.680.5000110.8L291 L294 L312 L313 L322 T346 L347L291-L319 HydrophobicContact CD2-CD1 4.18Å; L291-L319 HydrophobicContact CG-CD1 4.03Å; L291-L319 WeakPolarHBondContact O-CA 3.48Å; L291-L319 PolarHBondContact O-N 3.5Å; L294-L319 HydrophobicContact CB-CD1 3.85Å; L312-L319 HydrophobicContact CD2-CD2 3.71Å; L313-L319 HydrophobicContact CD2-CD2 3.79Å; L319-L322 HydrophobicContact CD2-CB 4.09Å; L319-L322 HydrophobicContact CD2-CD1 4.4Å; L319-T346 CarbonylContact O-C 3.52Å; L319-L347 HydrophobicContact CD2-CD1 4.04Å; L319-L347 HydrophobicContact CG-CD1 4.25Å
320K93.4Very high92.8Very high96 Ų9638.8 Ų38.842%0.41720%0.203SC..  trans-104.1-35.7179.4-66.1-178.1-178.2175.20112.6Q292 S318 L347 V348 E349Q292-K320 PolarHBondContact O-N 3.13Å; S318-K320 PolarHBondContact O-N 2.95Å; K320-L347 WeakPolarHBondContact O-CD1 3.45Å; K320-V348 HydrophobicContact CB-CG2 4.27Å; K320-V348 HydrophobicContact CG-CG2 4.44Å; K320-V348 PolarHBondContact O-N 3.49Å; K320-E349 PolarHBondContact O-N 2.93Å
321N95.5Very high92.8Very high45 Ų4537.4 Ų37.424%0.24120%0.197CC..EExtended strand (participates in β ladder)trans-129.5122.7-174.8-5560000110.1Q292 V293 L294 E349Q292-N321 PolarHBondContact O-N 3.49Å; V293-N321 WeakPolarHBondContact CA-O 3.24Å; V293-N321 HydrophobicContact CG1-CB 4.26Å; V293-N321 HydrophobicContact CG2-CB 4.17Å; L294-N321 PolarHBondContact N-O 3.25Å; N321-E349 WeakPolarHBondContact CA-O 3.33Å; N321-E349 HydrophobicContact CB-CB 4.49Å; N321-E349 VanDerWaalsContact ND2-CD 3.27Å; N321-E349 PolarHBondContact ND2-OE2 3.07Å
322L95.7Very high92.8Very high1 Ų138.1 Ų38.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-121.6122.4176178.562.4000109.9L294 L309 L313 L319 V324 L337 L347 E349 I350 H351L294-L322 HydrophobicContact CB-CD1 4.14Å; L294-L322 HydrophobicContact CD2-CD1 4.01Å; L294-L322 HydrophobicContact CG-CD1 4.16Å; L294-L322 WeakPolarHBondContact O-CA 3.31Å; L309-L322 HydrophobicContact CD2-CD1 4.28Å; L313-L322 HydrophobicContact CD1-CD2 4.12Å; L313-L322 HydrophobicContact CD2-CD2 4.37Å; L319-L322 HydrophobicContact CD2-CB 4.09Å; L319-L322 HydrophobicContact CD2-CD1 4.4Å; L322-V324 HydrophobicContact CD1-CG1 4.15Å; L322-V324 HydrophobicContact CG-CG1 4.3Å; L322-L337 HydrophobicContact CD2-CD1 4.48Å; L322-L337 HydrophobicContact CD2-CD2 4.19Å; L322-L347 HydrophobicContact CB-CD1 3.94Å; L322-L347 HydrophobicContact CB-CD2 4.45Å; L322-E349 PolarHBondContact N-O 3.48Å; L322-I350 WeakPolarHBondContact O-CA 3.38Å; L322-H351 PolarHBondContact O-N 2.87Å
323N96.2Very high92.9Very high21 Ų2139 Ų3911%0.11220%0.204CC..EExtended strand (participates in β ladder)trans-116.9119.5173.3-171.6-20.6000111.3L294 K295 L296 E325 H351L294-N323 PolarHBondContact O-N 3.27Å; K295-N323 HydrophobicContact CB-CB 4.28Å; K295-N323 HydrophobicContact CG-CB 4.09Å; L296-N323 PolarHBondContact N-O 3.14Å; N323-E325 PolarHBondContact ND2-OE2 2.85Å; N323-E325 VanDerWaalsContact OD1-CB 3.28Å; N323-E325 WeakPolarHBondContact OD1-CB 3.46Å; N323-E325 VanDerWaalsContact OD1-CG 3.26Å; N323-E325 WeakPolarHBondContact OD1-CG 3.48Å; N323-E325 PolarHBondContact OD1-N 2.95Å; N323-E325 PolarHBondContact OD1-OE2 3.47Å; N323-H351 HydrophobicContact CB-CB 3.97Å
324V95.1Very high93Very high0 Ų039 Ų390%020%0.204CC..  trans-130.226.9175.9-660000111.6L296 L309 L322 N327 L329 H351 A352 Q355L296-V324 HydrophobicContact CB-CG1 4.44Å; L296-V324 HydrophobicContact CD1-CG1 4.46Å; L309-V324 HydrophobicContact CD1-CG1 3.83Å; L322-V324 HydrophobicContact CD1-CG1 4.15Å; L322-V324 HydrophobicContact CG-CG1 4.3Å; V324-N327 PolarHBondContact O-ND2 2.73Å; V324-L329 HydrophobicContact CB-CD1 3.95Å; V324-L329 HydrophobicContact CG2-CD1 3.84Å; V324-H351 WeakPolarHBondContact CG2-O 3.5Å; V324-H351 PolarHBondContact N-O 2.97Å; V324-A352 HydrophobicContact CG2-CB 3.8Å; V324-Q355 PolarHBondContact O-NE2 3.06Å
325E93.8Very high93.1Very high45 Ų4536.3 Ų36.321%0.2119%0.188CC..  trans-60.3154.8178.5-71.2167.2168.100113A297 N298 N323 N327 H351 E353A297-E325 CarbonylContact C-O 3.37Å; A297-E325 VanDerWaalsContact CA-O 3.26Å; A297-E325 WeakPolarHBondContact CA-O 3.3Å; A297-E325 HydrophobicContact CB-CB 4.27Å; N298-E325 PolarHBondContact N-O 3.06Å; N323-E325 PolarHBondContact ND2-OE2 2.85Å; N323-E325 VanDerWaalsContact OD1-CB 3.28Å; N323-E325 WeakPolarHBondContact OD1-CB 3.46Å; N323-E325 VanDerWaalsContact OD1-CG 3.26Å; N323-E325 WeakPolarHBondContact OD1-CG 3.48Å; N323-E325 PolarHBondContact OD1-N 2.95Å; N323-E325 PolarHBondContact OD1-OE2 3.47Å; E325-N327 VanDerWaalsContact C-N 3.33Å; E325-N327 PolarHBondContact O-N 2.86Å; E325-N327 PolarHBondContact O-ND2 2.91Å; E325-H351 HydrophobicContact CG-CB 3.86Å; E325-H351 PolarHBondContact N-O 3.01Å; E325-H351 VanDerWaalsContact OE1-CB 3.3Å; E325-H351 WeakPolarHBondContact OE1-CB 3.43Å; E325-H351 IonicContact OE1-CG 3.95Å; E325-H351 IonicContact OE1-ND1 2.72Å; E325-H351 PolarHBondContact OE1-ND1 3.16Å; E325-E353 CarbonylContact C-O 3.45Å; E325-E353 WeakPolarHBondContact CA-O 3.29Å; E325-E353 HydrophobicContact CG-CB 4.33Å
326S93.4Very high93.3Very high42 Ų4232.7 Ų32.729%0.29418%0.183SC..SBendtrans56.940.5173-57.60000114.4N298 E353 N354N298-S326 WeakPolarHBondContact CA-O 3.31Å; S326-E353 PolarHBondContact N-O 2.9Å; S326-N354 VanDerWaalsContact CA-O 3.3Å; S326-N354 WeakPolarHBondContact CA-O 3.48Å; S326-N354 PolarHBondContact OG-ND2 2.95Å
327N93.8Very high93.7Very high2 Ų232.5 Ų32.51%0.01118%0.181CC..SBendtrans-116.1-166.1178.9-77.1-55.4000111.9L296 T299 A300 L301 V324 E325 L329 Q355 R356L296-N327 PolarHBondContact O-ND2 2.99Å; T299-N327 PolarHBondContact N-OD1 3.28Å; T299-N327 VanDerWaalsContact N-OD1 3.09Å; T299-N327 PolarHBondContact OG1-OD1 3.22Å; A300-N327 PolarHBondContact N-OD1 3.33Å; A300-N327 VanDerWaalsContact N-OD1 3.11Å; L301-N327 HydrophobicContact CB-CB 4.08Å; L301-N327 PolarHBondContact N-OD1 3.14Å; V324-N327 PolarHBondContact O-ND2 2.73Å; E325-N327 VanDerWaalsContact C-N 3.33Å; E325-N327 PolarHBondContact O-N 2.86Å; E325-N327 PolarHBondContact O-ND2 2.91Å; N327-L329 HydrophobicContact CB-CG 4.3Å; N327-Q355 WeakPolarHBondContact O-CA 3.37Å; N327-Q355 PolarHBondContact O-OE1 3.49Å; N327-Q355 VanDerWaalsContact O-OE1 3.13Å; N327-R356 PolarHBondContact O-N 3.4Å
328F93.1Very high94Very high83 Ų8328.9 Ų28.936%0.36416%0.156SC..BIsolated β-bridgetrans-110.533.3-178-59.7-67.3000112.1A300 L301 L302 R356A300-F328 HydrophobicContact CB-CD2 4.04Å; A300-F328 HydrophobicContact CB-CE2 3.61Å; L301-F328 CarbonylContact O-C 3.53Å; L301-F328 WeakPolarHBondContact O-CA 3.5Å; L301-F328 WeakPolarHBondContact O-CB 3.47Å; L301-F328 PolarHBondContact O-N 3.5Å; L302-F328 HydrophobicContact CD2-CB 3.66Å; L302-F328 HydrophobicContact CD2-CG 4.31Å; L302-F328 HydrophobicContact CG-CB 4.49Å; F328-R356 HydrophobicContact CD1-CB 3.44Å; F328-R356 VanDerWaalsContact CD1-CB 3.44Å; F328-R356 HydrophobicContact CD1-CG 3.98Å; F328-R356 HydrophobicContact CE1-CB 3.85Å; F328-R356 HydrophobicContact CE1-CG 4.12Å
329L93.7Very high94.2Very high2 Ų234.1 Ų34.11%0.0117%0.172CC..  trans-78137.3-177.9-56.3179.3000111.6L301 D303 A306 V324 N327 F333 L334 Q355L301-L329 HydrophobicContact CD2-CD2 4.29Å; L301-L329 HydrophobicContact CG-CD2 4.35Å; D303-L329 VanDerWaalsContact OD1-CA 3.24Å; D303-L329 WeakPolarHBondContact OD1-CA 3.49Å; A306-L329 HydrophobicContact CB-CD2 3.65Å; V324-L329 HydrophobicContact CB-CD1 3.95Å; V324-L329 HydrophobicContact CG2-CD1 3.84Å; N327-L329 HydrophobicContact CB-CG 4.3Å; L329-F333 HydrophobicContact CB-CD1 4.31Å; L329-F333 HydrophobicContact CD1-CD1 4.22Å; L329-F333 HydrophobicContact CD1-CE1 4.28Å; L329-F333 HydrophobicContact CD2-CD1 3.9Å; L329-F333 HydrophobicContact CD2-CE1 4.06Å; L329-F333 HydrophobicContact CG-CD1 4.37Å; L329-L334 HydrophobicContact CB-CD2 4.32Å; L329-L334 HydrophobicContact CD1-CD2 4.07Å; L329-Q355 HydrophobicContact CB-CG 4.39Å
330S92.8Very high94.2Very high37 Ų3734.4 Ų34.426%0.25918%0.175SC..  trans-79.9157.1173.175.30000112.2D303 E332 F333 L334D303-S330 PolarHBondContact OD1-N 3.17Å; D303-S330 WeakPolarHBondContact OD2-CB 3.23Å; D303-S330 PolarHBondContact OD2-OG 3.22Å; S330-E332 VanDerWaalsContact C-N 3.3Å; S330-E332 PolarHBondContact O-N 3.27Å; S330-F333 PolarHBondContact O-N 3.34Å; S330-F333 PolarHBondContact OG-N 2.87Å; S330-L334 PolarHBondContact O-N 2.95Å; S330-L334 VanDerWaalsContact O-N 3.12Å
331G92.4Very high94.2Very high10 Ų1030 Ų3010%0.10316%0.156CC..Hα-helixtrans-60.6-37.917600000113.7F333 L334 V335 V364G331-F333 VanDerWaalsContact C-N 3.31Å; G331-F333 PolarHBondContact O-N 2.99Å; G331-L334 PolarHBondContact O-N 3.18Å; G331-V335 WeakPolarHBondContact O-CG2 3.24Å; G331-V335 PolarHBondContact O-N 2.78Å; G331-V335 VanDerWaalsContact O-N 3.09Å; G331-V364 VanDerWaalsContact C-CG1 3.41Å; G331-V364 VanDerWaalsContact O-CG1 3.31Å; G331-V364 WeakPolarHBondContact O-CG1 3.31Å
332E93.1Very high94Very high125 Ų12529 Ų2958%0.58415%0.151SC*.Hα-helixtrans-61-40.6175.1-64.9-63.2154.500111.6S330 V335 A336 V364S330-E332 VanDerWaalsContact C-N 3.3Å; S330-E332 PolarHBondContact O-N 3.27Å; E332-V335 PolarHBondContact O-N 3.31Å; E332-A336 PolarHBondContact O-N 3.12Å; E332-A336 VanDerWaalsContact O-N 3.1Å; E332-V364 WeakPolarHBondContact OE1-CG2 3.25Å
333F94.4Very high93.8Very high22 Ų2233.2 Ų33.210%0.09618%0.177CC..Hα-helixtrans-66.1-40.5176.4-176.7-96.6000112D303 A306 V310 L329 S330 G331 V335 A336 L337D303-F333 HydrophobicContact CB-CB 4.41Å; D303-F333 HydrophobicContact CB-CD2 4.35Å; D303-F333 HydrophobicContact CB-CG 4.39Å; A306-F333 HydrophobicContact CB-CD1 4.36Å; A306-F333 HydrophobicContact CB-CE1 3.51Å; A306-F333 HydrophobicContact CB-CE2 4.12Å; A306-F333 HydrophobicContact CB-CZ 3.38Å; A306-F333 VanDerWaalsContact O-CZ 3.27Å; A306-F333 WeakPolarHBondContact O-CZ 3.48Å; V310-F333 HydrophobicContact CG2-CE2 3.73Å; V310-F333 HydrophobicContact CG2-CZ 3.87Å; L329-F333 HydrophobicContact CB-CD1 4.31Å; L329-F333 HydrophobicContact CD1-CD1 4.22Å; L329-F333 HydrophobicContact CD1-CE1 4.28Å; L329-F333 HydrophobicContact CD2-CD1 3.9Å; L329-F333 HydrophobicContact CD2-CE1 4.06Å; L329-F333 HydrophobicContact CG-CD1 4.37Å; S330-F333 PolarHBondContact O-N 3.34Å; S330-F333 PolarHBondContact OG-N 2.87Å; G331-F333 VanDerWaalsContact C-N 3.31Å; G331-F333 PolarHBondContact O-N 2.99Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.4Å; F333-A336 WeakPolarHBondContact O-CB 3.26Å; F333-A336 PolarHBondContact O-N 3.4Å; F333-L337 HydrophobicContact CE1-CD1 4.4Å; F333-L337 HydrophobicContact CZ-CD1 4.46Å; F333-L337 WeakPolarHBondContact O-CB 3.44Å; F333-L337 PolarHBondContact O-N 3.2Å
334L94.6Very high93.5Very high2 Ų235 Ų351%0.0119%0.186CC..Hα-helixtrans-62.2-36.9175.7-65179.8000112.4L329 S330 G331 L337 L338 A352 Q355 L360 L368L329-L334 HydrophobicContact CB-CD2 4.32Å; L329-L334 HydrophobicContact CD1-CD2 4.07Å; S330-L334 PolarHBondContact O-N 2.95Å; S330-L334 VanDerWaalsContact O-N 3.12Å; G331-L334 PolarHBondContact O-N 3.18Å; L334-L337 HydrophobicContact CD2-CD2 4.48Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 PolarHBondContact O-N 2.93Å; L334-L338 PolarHBondContact O-N 3.11Å; L334-A352 HydrophobicContact CD1-CB 4.4Å; L334-A352 HydrophobicContact CD2-CB 3.74Å; L334-Q355 HydrophobicContact CD1-CG 4.44Å; L334-L360 HydrophobicContact CD1-CD2 4.08Å; L334-L368 HydrophobicContact CB-CD2 4Å
335V94.6Very high93.2Very high6 Ų638.8 Ų38.84%0.03620%0.204CC..Hα-helixtrans-62.7-46.4173.1173.60000110.6G331 E332 F333 L337 L338 R339 V364 D367 L368G331-V335 WeakPolarHBondContact O-CG2 3.24Å; G331-V335 PolarHBondContact O-N 2.78Å; G331-V335 VanDerWaalsContact O-N 3.09Å; E332-V335 PolarHBondContact O-N 3.31Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.4Å; V335-L337 VanDerWaalsContact C-N 3.29Å; V335-L337 PolarHBondContact O-N 3.18Å; V335-L338 PolarHBondContact O-N 2.91Å; V335-R339 HydrophobicContact CG1-CG 4.46Å; V335-R339 WeakPolarHBondContact O-CB 3.4Å; V335-R339 WeakPolarHBondContact O-CG 3.22Å; V335-R339 PolarHBondContact O-N 3.49Å; V335-V364 HydrophobicContact CG2-CG1 3.77Å; V335-D367 HydrophobicContact CG1-CB 4.06Å; V335-D367 HydrophobicContact CG2-CB 3.9Å; V335-L368 HydrophobicContact CB-CD2 4.33Å; V335-L368 HydrophobicContact CG2-CD2 3.64Å; V335-L368 HydrophobicContact CG2-CG 3.66Å
336A95.2Very high93Very high42 Ų4238.5 Ų38.535%0.34721%0.205SC..Hα-helixtrans-61.1-39.3176.700000112E332 F333 R339 A340E332-A336 PolarHBondContact O-N 3.12Å; E332-A336 VanDerWaalsContact O-N 3.1Å; F333-A336 WeakPolarHBondContact O-CB 3.26Å; F333-A336 PolarHBondContact O-N 3.4Å; A336-R339 PolarHBondContact O-N 3.31Å; A336-A340 PolarHBondContact O-N 3.5Å
337L94.7Very high93Very high1 Ų136.5 Ų36.51%0.00519%0.191CC..Hα-helixtrans-63.8-46.9178-168.172.5000112L309 V310 L313 L322 F333 L334 V335 A340 A341 I350L309-L337 HydrophobicContact CB-CD1 3.75Å; V310-L337 HydrophobicContact CG2-CD1 4.36Å; L313-L337 HydrophobicContact CD1-CD1 3.44Å; L313-L337 VanDerWaalsContact CD1-CD1 3.44Å; L313-L337 HydrophobicContact CD1-CG 3.7Å; L313-L337 WeakPolarHBondContact CD1-O 3.44Å; L313-L337 HydrophobicContact CG-CD1 4.48Å; L322-L337 HydrophobicContact CD2-CD1 4.48Å; L322-L337 HydrophobicContact CD2-CD2 4.19Å; F333-L337 HydrophobicContact CE1-CD1 4.4Å; F333-L337 HydrophobicContact CZ-CD1 4.46Å; F333-L337 WeakPolarHBondContact O-CB 3.44Å; F333-L337 PolarHBondContact O-N 3.2Å; L334-L337 HydrophobicContact CD2-CD2 4.48Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 PolarHBondContact O-N 2.93Å; V335-L337 VanDerWaalsContact C-N 3.29Å; V335-L337 PolarHBondContact O-N 3.18Å; L337-A340 PolarHBondContact O-N 3.16Å; L337-A341 PolarHBondContact O-N 3.2Å; L337-I350 HydrophobicContact CD2-CD1 3.93Å; L337-I350 HydrophobicContact CG-CD1 4.42Å
338L94.1Very high93Very high1 Ų138.4 Ų38.41%0.00520%0.203CC..Hα-helixtrans-66.9-38.8176.3-76.7178.2000112.4L334 V335 A340 A341 N342 I350 L368 A371 V372 L378 I383L334-L338 PolarHBondContact O-N 3.11Å; V335-L338 PolarHBondContact O-N 2.91Å; L338-A340 VanDerWaalsContact C-N 3.28Å; L338-A340 PolarHBondContact O-N 3.02Å; L338-A341 WeakPolarHBondContact O-CB 3.26Å; L338-A341 PolarHBondContact O-N 3.22Å; L338-A341 VanDerWaalsContact O-N 3.13Å; L338-N342 PolarHBondContact O-N 2.59Å; L338-N342 VanDerWaalsContact O-N 3.12Å; L338-N342 PolarHBondContact O-OD1 2.94Å; L338-I350 HydrophobicContact CD2-CD1 3.86Å; L338-I350 HydrophobicContact CD2-CG2 4.08Å; L338-L368 HydrophobicContact CD1-CD2 3.53Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L338-A371 HydrophobicContact CB-CB 3.92Å; L338-V372 HydrophobicContact CD1-CG2 3.89Å; L338-L378 HydrophobicContact CD2-CD1 3.99Å; L338-I383 HydrophobicContact CD1-CD1 4.18Å
339R94.5Very high93Very high133 Ų13336.6 Ų36.650%0.50220%0.195SC..Hα-helixtrans-61.9-36.7173.8-72.5-177.9-170.3-163.79.2112V335 A336 N342 D367 A371V335-R339 HydrophobicContact CG1-CG 4.46Å; V335-R339 WeakPolarHBondContact O-CB 3.4Å; V335-R339 WeakPolarHBondContact O-CG 3.22Å; V335-R339 PolarHBondContact O-N 3.49Å; A336-R339 PolarHBondContact O-N 3.31Å; R339-N342 WeakPolarHBondContact O-CB 3.29Å; R339-N342 PolarHBondContact O-N 3.1Å; R339-D367 IonicContact NH2-OD2 2.64Å; R339-D367 PolarHBondContact NH2-OD2 3.39Å; R339-A371 HydrophobicContact CG-CB 4.33Å
340A94.1Very high93.1Very high7 Ų736.6 Ų36.66%0.05820%0.195CC..Hα-helixtrans-67.5-38.4172.900000112.4V310 L313 A336 L337 L338 N342 V343V310-A340 HydrophobicContact CG1-CB 3.79Å; L313-A340 HydrophobicContact CB-CB 4.11Å; A336-A340 PolarHBondContact O-N 3.5Å; L337-A340 PolarHBondContact O-N 3.16Å; L338-A340 VanDerWaalsContact C-N 3.28Å; L338-A340 PolarHBondContact O-N 3.02Å; A340-N342 PolarHBondContact O-N 3.31Å; A340-V343 WeakPolarHBondContact O-CB 3.49Å; A340-V343 PolarHBondContact O-N 3.11Å; A340-V343 VanDerWaalsContact O-N 3.14Å
341A92.9Very high93.2Very high3 Ų337 Ų373%0.02519%0.193CC..Hα-helixtrans-60.6-28.5174.300000112.9L313 L337 L338 V343 Q345 L347L313-A341 HydrophobicContact CD1-CB 4.26Å; L337-A341 PolarHBondContact O-N 3.2Å; L338-A341 WeakPolarHBondContact O-CB 3.26Å; L338-A341 PolarHBondContact O-N 3.22Å; L338-A341 VanDerWaalsContact O-N 3.13Å; A341-V343 PolarHBondContact O-N 3.19Å; A341-Q345 PolarHBondContact O-N 3.1Å; A341-Q345 VanDerWaalsContact O-N 3.09Å; A341-L347 HydrophobicContact CB-CD2 4.22Å
342N92.1Very high93.3Very high23 Ų2336.8 Ų36.812%0.12319%0.19CC..Hα-helixtrans-70.8-14178-68.3-5.5000114.2L338 R339 A340 Q345 A371 E374 N375L338-N342 PolarHBondContact O-N 2.59Å; L338-N342 VanDerWaalsContact O-N 3.12Å; L338-N342 PolarHBondContact O-OD1 2.94Å; R339-N342 WeakPolarHBondContact O-CB 3.29Å; R339-N342 PolarHBondContact O-N 3.1Å; A340-N342 PolarHBondContact O-N 3.31Å; N342-Q345 VanDerWaalsContact O-CG 3.27Å; N342-Q345 WeakPolarHBondContact O-CG 3.41Å; N342-A371 PolarHBondContact ND2-O 3.19Å; N342-A371 PolarHBondContact OD1-O 2.9Å; N342-E374 PolarHBondContact ND2-OE2 3.14Å; N342-N375 VanDerWaalsContact OD1-CB 3.23Å; N342-N375 WeakPolarHBondContact OD1-CB 3.45Å; N342-N375 PolarHBondContact OD1-ND2 2.99Å
343V92Very high93.3Very high91 Ų9134.8 Ų34.855%0.55218%0.181SC*.Hα-helixtrans-72.4-53.9-179.4179.70000111.1T314 A340 A341T314-V343 HydrophobicContact CG2-CG1 4.31Å; T314-V343 HydrophobicContact CG2-CG2 4.47Å; A340-V343 WeakPolarHBondContact O-CB 3.49Å; A340-V343 PolarHBondContact O-N 3.11Å; A340-V343 VanDerWaalsContact O-N 3.14Å; A341-V343 PolarHBondContact O-N 3.19Å
344N88.8Confident93.1Very high59 Ų5938.8 Ų38.832%0.31620%0.203SC..Hα-helixtrans-92.3-23.9-178.4-70-26.7000113.1L313 T314 S316 T346L313-N344 PolarHBondContact O-ND2 3.31Å; L313-N344 VanDerWaalsContact O-ND2 3.12Å; T314-N344 PolarHBondContact O-ND2 3.47Å; S316-N344 PolarHBondContact O-ND2 2.99Å; N344-T346 VanDerWaalsContact C-N 3.31Å; N344-T346 HydrophobicContact CB-CG2 4.22Å; N344-T346 PolarHBondContact O-N 3.44Å
345Q89.5Confident93Very high79 Ų7939.1 Ų39.137%0.36921%0.205SC..  trans49.449.1-177.8-56.4-167.8-19.900112.9A341 N342 E374 T377A341-Q345 PolarHBondContact O-N 3.1Å; A341-Q345 VanDerWaalsContact O-N 3.09Å; N342-Q345 VanDerWaalsContact O-CG 3.27Å; N342-Q345 WeakPolarHBondContact O-CG 3.41Å; Q345-E374 PolarHBondContact NE2-O 3.03Å; Q345-T377 VanDerWaalsContact C-OG1 3.27Å; Q345-T377 HydrophobicContact CB-CG2 4.01Å; Q345-T377 WeakPolarHBondContact O-CG2 3.39Å; Q345-T377 PolarHBondContact O-OG1 3.24Å; Q345-T377 VanDerWaalsContact O-OG1 3.14Å
346T90.4Very high92.6Very high38 Ų3848.4 Ų48.423%0.23324%0.239CC..  trans-109.5-23-179.9470000112.7S317 L319 N344S317-T346 WeakPolarHBondContact O-CG2 3.3Å; L319-T346 CarbonylContact O-C 3.52Å; N344-T346 VanDerWaalsContact C-N 3.31Å; N344-T346 HydrophobicContact CB-CG2 4.22Å; N344-T346 PolarHBondContact O-N 3.44Å
347L92.5Very high92Very high1 Ų148.8 Ų48.81%0.00524%0.242CC..  trans-69.7131.9179.7-160.768.7000110.1L313 L319 K320 L322 A341 I350 T377 L378L313-L347 HydrophobicContact CD2-CD1 4.38Å; L313-L347 HydrophobicContact CD2-CD2 4.2Å; L319-L347 HydrophobicContact CD2-CD1 4.04Å; L319-L347 HydrophobicContact CG-CD1 4.25Å; K320-L347 WeakPolarHBondContact O-CD1 3.45Å; L322-L347 HydrophobicContact CB-CD1 3.94Å; L322-L347 HydrophobicContact CB-CD2 4.45Å; A341-L347 HydrophobicContact CB-CD2 4.22Å; L347-I350 HydrophobicContact CD2-CB 3.87Å; L347-I350 HydrophobicContact CD2-CD1 4.15Å; L347-I350 HydrophobicContact CD2-CG1 4.37Å; L347-T377 CarbonylContact O-C 3.46Å; L347-T377 PolarHBondContact O-OG1 3.34Å; L347-T377 VanDerWaalsContact O-OG1 3.05Å; L347-L378 HydrophobicContact CB-CD2 4.07Å; L347-L378 HydrophobicContact CD2-CD2 4.13Å; L347-L378 HydrophobicContact CG-CD2 4.06Å; L347-L378 WeakPolarHBondContact O-CD2 3.11Å
348V93.2Very high91.2Very high42 Ų4255 Ų5526%0.25527%0.274SS..  trans-105.6-41.2179.5-178.20000110.2K320 L379 R380K320-V348 HydrophobicContact CB-CG2 4.27Å; K320-V348 HydrophobicContact CG-CG2 4.44Å; K320-V348 PolarHBondContact O-N 3.49Å; V348-L379 HydrophobicContact CG1-CB 4.01Å; V348-L379 HydrophobicContact CG1-CD1 3.72Å; V348-L379 HydrophobicContact CG1-CG 3.88Å; V348-L379 PolarHBondContact O-N 3.41Å; V348-R380 PolarHBondContact O-N 3.42Å; V348-R380 VanDerWaalsContact O-N 3.15Å
349E94.4Very high90.9Very high45 Ų4559.9 Ų59.921%0.2131%0.305CS..EExtended strand (participates in β ladder)trans-130.4128.5-177.5-53.6-171.6163.100110.6K320 N321 L322 H351 R380K320-E349 PolarHBondContact O-N 2.93Å; N321-E349 WeakPolarHBondContact CA-O 3.33Å; N321-E349 HydrophobicContact CB-CB 4.49Å; N321-E349 VanDerWaalsContact ND2-CD 3.27Å; N321-E349 PolarHBondContact ND2-OE2 3.07Å; L322-E349 PolarHBondContact N-O 3.48Å; E349-H351 IonicContact OE2-NE2 3.34Å; E349-R380 WeakPolarHBondContact CA-O 3.4Å; E349-R380 HydrophobicContact CB-CB 4.3Å; E349-R380 HydrophobicContact CG-CB 4Å; E349-R380 HydrophobicContact CG-CG 4.16Å; E349-R380 WeakPolarHBondContact OE1-CD 3.36Å; E349-R380 IonicContact OE1-NH1 2.66Å
350I95.1Very high90.5Very high2 Ų254.8 Ų54.81%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-126.3128.2172.1-174.8165.2000109.8L322 L337 L338 L347 L378 R380 V381 G382L322-I350 WeakPolarHBondContact O-CA 3.38Å; L337-I350 HydrophobicContact CD2-CD1 3.93Å; L337-I350 HydrophobicContact CG-CD1 4.42Å; L338-I350 HydrophobicContact CD2-CD1 3.86Å; L338-I350 HydrophobicContact CD2-CG2 4.08Å; L347-I350 HydrophobicContact CD2-CB 3.87Å; L347-I350 HydrophobicContact CD2-CD1 4.15Å; L347-I350 HydrophobicContact CD2-CG1 4.37Å; I350-L378 HydrophobicContact CG2-CD2 4.1Å; I350-R380 PolarHBondContact N-O 3.05Å; I350-V381 HydrophobicContact CG2-CB 4.25Å; I350-V381 HydrophobicContact CG2-CG1 4.16Å; I350-V381 HydrophobicContact CG2-CG2 3.9Å; I350-V381 CarbonylContact O-C 3.31Å; I350-V381 WeakPolarHBondContact O-CA 3.48Å; I350-G382 PolarHBondContact O-N 3.45Å
351H95.4Very high90.3Very high46 Ų4655.6 Ų55.621%0.21330%0.296CS..EExtended strand (participates in β ladder)trans-121.4111.7-175.8-78-87.6000108.8L322 N323 V324 E325 E349L322-H351 PolarHBondContact O-N 2.87Å; N323-H351 HydrophobicContact CB-CB 3.97Å; V324-H351 WeakPolarHBondContact CG2-O 3.5Å; V324-H351 PolarHBondContact N-O 2.97Å; E325-H351 HydrophobicContact CG-CB 3.86Å; E325-H351 PolarHBondContact N-O 3.01Å; E325-H351 VanDerWaalsContact OE1-CB 3.3Å; E325-H351 WeakPolarHBondContact OE1-CB 3.43Å; E325-H351 IonicContact OE1-CG 3.95Å; E325-H351 IonicContact OE1-ND1 2.72Å; E325-H351 PolarHBondContact OE1-ND1 3.16Å; E349-H351 IonicContact OE2-NE2 3.34Å
352A93.8Very high90.3Very high4 Ų460.8 Ų60.83%0.03332%0.323CS..  trans-140.125-176.900000112.7V324 L334 Q355 G382 I383V324-A352 HydrophobicContact CG2-CB 3.8Å; L334-A352 HydrophobicContact CD1-CB 4.4Å; L334-A352 HydrophobicContact CD2-CB 3.74Å; A352-Q355 WeakPolarHBondContact O-CG 3.31Å; A352-Q355 PolarHBondContact O-NE2 3.49Å; A352-G382 CarbonylContact C-O 3.59Å; A352-G382 WeakPolarHBondContact CA-O 3.45Å; A352-G382 PolarHBondContact N-O 3.35Å; A352-I383 HydrophobicContact CB-CG1 4.13Å
353E92.2Very high90.4Very high83 Ų8365.7 Ų65.739%0.38835%0.345SS..  trans-68.5164.4178.6-55.4-167.3165.600112.9E325 S326 Q355 G382E325-E353 CarbonylContact C-O 3.45Å; E325-E353 WeakPolarHBondContact CA-O 3.29Å; E325-E353 HydrophobicContact CG-CB 4.33Å; S326-E353 PolarHBondContact N-O 2.9Å; E353-Q355 PolarHBondContact O-N 3.36Å; E353-Q355 PolarHBondContact O-NE2 3.22Å; E353-G382 WeakPolarHBondContact CG-O 3.37Å; E353-G382 PolarHBondContact N-O 2.68Å; E353-G382 VanDerWaalsContact N-O 3.11Å; E353-G382 WeakPolarHBondContact OE1-CA 3.41Å
354N92.1Very high90.5Very high107 Ų10761.9 Ų61.957%0.57232%0.322SS*.SBendtrans58.537.1173-165.138.1000115.1S326S326-N354 VanDerWaalsContact CA-O 3.3Å; S326-N354 WeakPolarHBondContact CA-O 3.48Å; S326-N354 PolarHBondContact OG-ND2 2.95Å
355Q92.2Very high90.8Very high9 Ų959 Ų594%0.04231%0.307CS..  trans-66.5152.7170-55.4-55.6-44.600110.7V324 N327 L329 L334 A352 E353 A357 L358V324-Q355 PolarHBondContact O-NE2 3.06Å; N327-Q355 WeakPolarHBondContact O-CA 3.37Å; N327-Q355 PolarHBondContact O-OE1 3.49Å; N327-Q355 VanDerWaalsContact O-OE1 3.13Å; L329-Q355 HydrophobicContact CB-CG 4.39Å; L334-Q355 HydrophobicContact CD1-CG 4.44Å; A352-Q355 WeakPolarHBondContact O-CG 3.31Å; A352-Q355 PolarHBondContact O-NE2 3.49Å; E353-Q355 PolarHBondContact O-N 3.36Å; E353-Q355 PolarHBondContact O-NE2 3.22Å; Q355-A357 CarbonylContact O-C 3.58Å; Q355-A357 PolarHBondContact O-N 3.1Å; Q355-A357 VanDerWaalsContact O-N 3.15Å; Q355-L358 PolarHBondContact O-N 3.11Å
356R85.9Confident91.1Very high200 Ų20057 Ų5776%0.75530%0.298SS*.SBendtrans-52.8-38.1178.1178.3-177.2-170.5152.30.8113.3N327 F328 L358N327-R356 PolarHBondContact O-N 3.4Å; F328-R356 HydrophobicContact CD1-CB 3.44Å; F328-R356 VanDerWaalsContact CD1-CB 3.44Å; F328-R356 HydrophobicContact CD1-CG 3.98Å; F328-R356 HydrophobicContact CE1-CB 3.85Å; F328-R356 HydrophobicContact CE1-CG 4.12Å; R356-L358 PolarHBondContact O-N 2.92Å
357A82.6Confident91.4Very high50 Ų5056.4 Ų56.441%0.41329%0.293SS..SBendtrans-8388.6169.400000108.5Q355 V359Q355-A357 CarbonylContact O-C 3.58Å; Q355-A357 PolarHBondContact O-N 3.1Å; Q355-A357 VanDerWaalsContact O-N 3.15Å; A357-V359 PolarHBondContact O-N 3.18Å
358L78.6Confident91.5Very high131 Ų13156.3 Ų56.369%0.68629%0.293SS*.SBendtrans-61.4-27.3-179.4-17266.2000112.4Q355 R356Q355-L358 PolarHBondContact O-N 3.11Å; R356-L358 PolarHBondContact O-N 2.92Å
359V86.3Confident91.6Very high105 Ų10554.3 Ų54.364%0.63628%0.281SS*.  trans-103110.7176.2-176.10000108.8A357A357-V359 PolarHBondContact O-N 3.18Å
360L87.2Confident91.7Very high25 Ų2557.6 Ų57.613%0.13129%0.292CS..  trans-74.7-30.9178.2-59.8174.5000112.2L334 V364 E365 L368 I383L334-L360 HydrophobicContact CD1-CD2 4.08Å; L360-V364 HydrophobicContact CB-CG1 4.26Å; L360-V364 WeakPolarHBondContact O-CG2 3.26Å; L360-E365 HydrophobicContact CB-CG 4.18Å; L360-L368 HydrophobicContact CD1-CD1 3.77Å; L360-I383 HydrophobicContact CD1-CG2 3.72Å
361G90.1Very high91.7Very high24 Ų2457.7 Ų57.725%0.24729%0.292CS..  trans98.5143.4-177.300000112.8Q363 V364 E365G361-Q363 VanDerWaalsContact C-N 3.31Å; G361-Q363 PolarHBondContact O-N 3.47Å; G361-V364 PolarHBondContact O-N 2.89Å; G361-V364 VanDerWaalsContact O-N 3.14Å; G361-E365 PolarHBondContact O-N 2.97Å
362N92.6Very high91.7Very high112 Ų11255.5 Ų55.560%0.59928%0.282SS*.Hα-helixtrans-57.9-39-171-61.9-8.7000113.7M366 M387N362-M366 PolarHBondContact O-N 3Å; N362-M366 VanDerWaalsContact O-N 3.1Å; N362-M387 HydrophobicContact CB-SD 4.37Å
363Q93.5Very high91.7Very high126 Ų12659.1 Ų59.159%0.58930%0.298SS*.Hα-helixtrans-66.9-44.7179.5-174.759.747.100111.3G361 M366 D367G361-Q363 VanDerWaalsContact C-N 3.31Å; G361-Q363 PolarHBondContact O-N 3.47Å; Q363-M366 PolarHBondContact O-N 3.45Å; Q363-D367 PolarHBondContact NE2-OD1 3.07Å; Q363-D367 PolarHBondContact O-N 3.28Å
364V94.8Very high91.8Very high11 Ų1161.3 Ų61.37%0.06731%0.309CS..Hα-helixtrans-63.2-44.5177.2178.30000110.3G331 E332 V335 L360 G361 M366 D367 L368G331-V364 VanDerWaalsContact C-CG1 3.41Å; G331-V364 VanDerWaalsContact O-CG1 3.31Å; G331-V364 WeakPolarHBondContact O-CG1 3.31Å; E332-V364 WeakPolarHBondContact OE1-CG2 3.25Å; V335-V364 HydrophobicContact CG2-CG1 3.77Å; L360-V364 HydrophobicContact CB-CG1 4.26Å; L360-V364 WeakPolarHBondContact O-CG2 3.26Å; G361-V364 PolarHBondContact O-N 2.89Å; G361-V364 VanDerWaalsContact O-N 3.14Å; V364-M366 VanDerWaalsContact C-N 3.28Å; V364-M366 PolarHBondContact O-N 3.27Å; V364-D367 PolarHBondContact O-N 3.34Å; V364-D367 VanDerWaalsContact O-N 3.12Å; V364-L368 HydrophobicContact CG1-CD1 4.04Å; V364-L368 HydrophobicContact CG1-CG 4.25Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 VanDerWaalsContact O-CG 3.29Å; V364-L368 WeakPolarHBondContact O-CG 3.39Å; V364-L368 PolarHBondContact O-N 2.94Å
365E94.8Very high91.8Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-59-38.5177.2-73.6-170.6-163.900112.3L360 G361 A369 F385 N386 M387 A390L360-E365 HydrophobicContact CB-CG 4.18Å; G361-E365 PolarHBondContact O-N 2.97Å; E365-A369 WeakPolarHBondContact O-CB 3.05Å; E365-A369 PolarHBondContact O-N 3.42Å; E365-F385 HydrophobicContact CB-CD1 4.05Å; E365-F385 HydrophobicContact CG-CD1 4.05Å; E365-N386 VanDerWaalsContact CD-N 3.32Å; E365-N386 PolarHBondContact OE1-N 3.29Å; E365-N386 PolarHBondContact OE1-ND2 3.5Å; E365-N386 PolarHBondContact OE2-N 3.04Å; E365-M387 VanDerWaalsContact OE2-CB 3.3Å; E365-M387 WeakPolarHBondContact OE2-CB 3.37Å; E365-M387 PolarHBondContact OE2-N 3.37Å; E365-A390 HydrophobicContact CB-CB 4.17Å
366M95.2Very high91.7Very high36 Ų3656.8 Ų56.818%0.17729%0.289CS..Hα-helixtrans-69.5-37.4173.8-78.6-59.4-88.400113.6N362 Q363 V364 A369 R370 M387 E389 A390 R393N362-M366 PolarHBondContact O-N 3Å; N362-M366 VanDerWaalsContact O-N 3.1Å; Q363-M366 PolarHBondContact O-N 3.45Å; V364-M366 VanDerWaalsContact C-N 3.28Å; V364-M366 PolarHBondContact O-N 3.27Å; M366-A369 PolarHBondContact O-N 2.85Å; M366-R370 WeakPolarHBondContact O-CG 3.39Å; M366-R370 PolarHBondContact O-N 3.2Å; M366-M387 HydrophobicContact CE-CE 4.41Å; M366-M387 HydrophobicContact CG-CE 3.22Å; M366-M387 HydrophobicContact CG-SD 4.46Å; M366-M387 HydrophobicContact SD-CE 3.11Å; M366-M387 WeakPolarHBondContact SD-CE 3.21Å; M366-E389 HydrophobicContact CE-CG 4.47Å; M366-E389 WeakPolarHBondContact CE-OE1 3.24Å; M366-E389 HydrophobicContact SD-CG 4.45Å; M366-A390 HydrophobicContact SD-CB 4.41Å; M366-R393 VanDerWaalsContact CE-NH1 3.34Å
367D96.2Very high91.9Very high25 Ų2549.4 Ų49.413%0.13427%0.266CS..Hα-helixtrans-67.1-39.8175.9-79.331.6000111.5V335 R339 Q363 V364 R370 A371V335-D367 HydrophobicContact CG1-CB 4.06Å; V335-D367 HydrophobicContact CG2-CB 3.9Å; R339-D367 IonicContact NH2-OD2 2.64Å; R339-D367 PolarHBondContact NH2-OD2 3.39Å; Q363-D367 PolarHBondContact NE2-OD1 3.07Å; Q363-D367 PolarHBondContact O-N 3.28Å; V364-D367 PolarHBondContact O-N 3.34Å; V364-D367 VanDerWaalsContact O-N 3.12Å; D367-R370 PolarHBondContact O-N 2.85Å; D367-R370 IonicContact OD1-CZ 2.62Å; D367-R370 IonicContact OD1-NE 3.57Å; D367-R370 IonicContact OD1-NH2 3.39Å; D367-R370 PolarHBondContact OD1-NH2 3.38Å; D367-R370 IonicContact OD2-NH2 3.77Å; D367-A371 WeakPolarHBondContact O-CB 3.3Å; D367-A371 PolarHBondContact O-N 2.98Å
368L95.8Very high92.4Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-61.3-47.5171.6-71.8171.6000110.9L334 V335 L338 L360 V364 R370 A371 V372 I383 F385L334-L368 HydrophobicContact CB-CD2 4Å; V335-L368 HydrophobicContact CB-CD2 4.33Å; V335-L368 HydrophobicContact CG2-CD2 3.64Å; V335-L368 HydrophobicContact CG2-CG 3.66Å; L338-L368 HydrophobicContact CD1-CD2 3.53Å; L338-L368 HydrophobicContact CG-CD2 4.44Å; L360-L368 HydrophobicContact CD1-CD1 3.77Å; V364-L368 HydrophobicContact CG1-CD1 4.04Å; V364-L368 HydrophobicContact CG1-CG 4.25Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 VanDerWaalsContact O-CG 3.29Å; V364-L368 WeakPolarHBondContact O-CG 3.39Å; V364-L368 PolarHBondContact O-N 2.94Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.86Å; L368-A371 PolarHBondContact O-N 2.95Å; L368-A371 VanDerWaalsContact O-N 3.16Å; L368-V372 WeakPolarHBondContact O-CG2 3.33Å; L368-V372 PolarHBondContact O-N 3.39Å; L368-I383 HydrophobicContact CD1-CG2 4.32Å; L368-I383 HydrophobicContact CD2-CD1 4.37Å; L368-F385 HydrophobicContact CB-CE1 3.8Å; L368-F385 HydrophobicContact CB-CZ 4.33Å; L368-F385 HydrophobicContact CD1-CE1 4.2Å
369A95.5Very high93.1Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-58.8-44.417800000112.1E365 M366 A371 V372 E373 A390 R393 V394E365-A369 WeakPolarHBondContact O-CB 3.05Å; E365-A369 PolarHBondContact O-N 3.42Å; M366-A369 PolarHBondContact O-N 2.85Å; A369-A371 PolarHBondContact O-N 3.49Å; A369-V372 PolarHBondContact O-N 3.28Å; A369-E373 WeakPolarHBondContact O-CG 3.49Å; A369-E373 PolarHBondContact O-N 2.98Å; A369-A390 HydrophobicContact CB-CB 4.12Å; A369-R393 HydrophobicContact CB-CB 4.41Å; A369-V394 HydrophobicContact CB-CG2 3.9Å
370R95.9Very high93.5Very high114 Ų11445.6 Ų45.643%0.4323%0.225SC..Hα-helixtrans-61.5-42.9174.5-72.9-172.2-71.2178.10.4112.4M366 D367 L368 V372 E373 E374M366-R370 WeakPolarHBondContact O-CG 3.39Å; M366-R370 PolarHBondContact O-N 3.2Å; D367-R370 PolarHBondContact O-N 2.85Å; D367-R370 IonicContact OD1-CZ 2.62Å; D367-R370 IonicContact OD1-NE 3.57Å; D367-R370 IonicContact OD1-NH2 3.39Å; D367-R370 PolarHBondContact OD1-NH2 3.38Å; D367-R370 IonicContact OD2-NH2 3.77Å; L368-R370 VanDerWaalsContact C-N 3.34Å; L368-R370 PolarHBondContact O-N 2.86Å; R370-V372 VanDerWaalsContact C-N 3.32Å; R370-V372 PolarHBondContact O-N 3.36Å; R370-E373 PolarHBondContact O-N 3.32Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.44Å
371A95.4Very high93.8Very high3 Ų345.4 Ų45.43%0.02523%0.225CC..Hα-helixtrans-63.8-37.2177.800000112L338 R339 N342 D367 L368 A369L338-A371 HydrophobicContact CB-CB 3.92Å; R339-A371 HydrophobicContact CG-CB 4.33Å; N342-A371 PolarHBondContact ND2-O 3.19Å; N342-A371 PolarHBondContact OD1-O 2.9Å; D367-A371 WeakPolarHBondContact O-CB 3.3Å; D367-A371 PolarHBondContact O-N 2.98Å; L368-A371 PolarHBondContact O-N 2.95Å; L368-A371 VanDerWaalsContact O-N 3.16Å; A369-A371 PolarHBondContact O-N 3.49Å
372V95.3Very high94Very high0 Ų044.5 Ų44.50%022%0.215CC..Hα-helixtrans-68.9-39.7175.8175.90000111.7L338 L368 A369 R370 E374 N375 V381 V394 A397 L398L338-V372 HydrophobicContact CD1-CG2 3.89Å; L368-V372 WeakPolarHBondContact O-CG2 3.33Å; L368-V372 PolarHBondContact O-N 3.39Å; A369-V372 PolarHBondContact O-N 3.28Å; R370-V372 VanDerWaalsContact C-N 3.32Å; R370-V372 PolarHBondContact O-N 3.36Å; V372-E374 VanDerWaalsContact C-N 3.31Å; V372-E374 PolarHBondContact O-N 3.4Å; V372-N375 WeakPolarHBondContact O-CB 3.3Å; V372-N375 PolarHBondContact O-N 3.12Å; V372-V381 HydrophobicContact CG1-CG2 4.35Å; V372-V381 HydrophobicContact CG2-CG2 4.21Å; V372-V394 HydrophobicContact CB-CG2 4.32Å; V372-V394 HydrophobicContact CG1-CG1 4.26Å; V372-V394 HydrophobicContact CG2-CG2 4.42Å; V372-A397 HydrophobicContact CG1-CB 4.22Å; V372-L398 HydrophobicContact CG1-CD2 4.2Å
373E93.9Very high94Very high80 Ų8039.8 Ų39.837%0.37419%0.19SC..Hα-helixtrans-63.7-33.3177.3-75.5177.9170.700114A369 R370 N375 R393 A397A369-E373 WeakPolarHBondContact O-CG 3.49Å; A369-E373 PolarHBondContact O-N 2.98Å; R370-E373 PolarHBondContact O-N 3.32Å; E373-N375 PolarHBondContact O-N 3.28Å; E373-R393 WeakPolarHBondContact OE1-CB 3.45Å; E373-R393 IonicContact OE1-CZ 3.69Å; E373-R393 VanDerWaalsContact OE1-CZ 3.25Å; E373-R393 IonicContact OE1-NE 2.63Å; E373-R393 PolarHBondContact OE1-NE 3.1Å; E373-R393 IonicContact OE1-NH2 3.87Å; E373-R393 PolarHBondContact OE1-NH2 3.12Å; E373-R393 IonicContact OE2-CZ 3.06Å; E373-R393 IonicContact OE2-NE 3.25Å; E373-R393 IonicContact OE2-NH2 3.64Å; E373-R393 PolarHBondContact OE2-NH2 3.07Å; E373-A397 HydrophobicContact CG-CB 4.04Å
374E93.4Very high93.9Very high130 Ų13037.8 Ų37.861%0.60719%0.186SC*.Hα-helixtrans-70-19.9174.5-72.5173.2-17600112.4N342 Q345 R370 V372N342-E374 PolarHBondContact ND2-OE2 3.14Å; Q345-E374 PolarHBondContact NE2-O 3.03Å; R370-E374 WeakPolarHBondContact O-CG 3.49Å; R370-E374 PolarHBondContact O-N 3.44Å; V372-E374 VanDerWaalsContact C-N 3.31Å; V372-E374 PolarHBondContact O-N 3.4Å
375N92.1Very high93.8Very high2 Ų237.7 Ų37.71%0.01119%0.185CC..  trans-88.7127.5-179.3-159.9-68.7000111.8N342 V372 E373 T377 L378 N401N342-N375 VanDerWaalsContact OD1-CB 3.23Å; N342-N375 WeakPolarHBondContact OD1-CB 3.45Å; N342-N375 PolarHBondContact OD1-ND2 2.99Å; V372-N375 WeakPolarHBondContact O-CB 3.3Å; V372-N375 PolarHBondContact O-N 3.12Å; E373-N375 PolarHBondContact O-N 3.28Å; N375-T377 PolarHBondContact OD1-N 3.02Å; N375-T377 PolarHBondContact OD1-OG1 3.03Å; N375-T377 VanDerWaalsContact OD1-OG1 3.1Å; N375-L378 HydrophobicContact CB-CD1 3.82Å; N375-L378 HydrophobicContact CB-CG 4.2Å; N375-L378 WeakPolarHBondContact OD1-CG 3.35Å; N375-L378 PolarHBondContact OD1-N 3.27Å; N375-N401 PolarHBondContact O-ND2 3.33Å; N375-N401 PolarHBondContact O-OD1 3.31Å
376G89.7Confident93.6Very high18 Ų1842 Ų4219%0.18621%0.208CC..SBendtrans-95.7-5.617900000116.2N401G376-N401 WeakPolarHBondContact CA-OD1 3.38Å; G376-N401 PolarHBondContact O-OD1 3.45Å
377T91.1Very high93.5Very high45 Ų4542.3 Ų42.328%0.27621%0.209SC..SBendtrans-118.6-21.1-169.462.80000114.4Q345 L347 N375 L379Q345-T377 VanDerWaalsContact C-OG1 3.27Å; Q345-T377 HydrophobicContact CB-CG2 4.01Å; Q345-T377 WeakPolarHBondContact O-CG2 3.39Å; Q345-T377 PolarHBondContact O-OG1 3.24Å; Q345-T377 VanDerWaalsContact O-OG1 3.14Å; L347-T377 CarbonylContact O-C 3.46Å; L347-T377 PolarHBondContact O-OG1 3.34Å; L347-T377 VanDerWaalsContact O-OG1 3.05Å; N375-T377 PolarHBondContact OD1-N 3.02Å; N375-T377 PolarHBondContact OD1-OG1 3.03Å; N375-T377 VanDerWaalsContact OD1-OG1 3.1Å; T377-L379 PolarHBondContact O-N 3.36Å
378L93.6Very high93.4Very high0 Ų047.3 Ų47.30%023%0.234CC..  trans-62.2123.4174-72.3172.8000109.9L338 L347 I350 N375 V381 L398 N401L338-L378 HydrophobicContact CD2-CD1 3.99Å; L347-L378 HydrophobicContact CB-CD2 4.07Å; L347-L378 HydrophobicContact CD2-CD2 4.13Å; L347-L378 HydrophobicContact CG-CD2 4.06Å; L347-L378 WeakPolarHBondContact O-CD2 3.11Å; I350-L378 HydrophobicContact CG2-CD2 4.1Å; N375-L378 HydrophobicContact CB-CD1 3.82Å; N375-L378 HydrophobicContact CB-CG 4.2Å; N375-L378 WeakPolarHBondContact OD1-CG 3.35Å; N375-L378 PolarHBondContact OD1-N 3.27Å; L378-V381 HydrophobicContact CB-CG2 4.42Å; L378-V381 HydrophobicContact CD1-CG2 4.3Å; L378-L398 HydrophobicContact CB-CD2 4.22Å; L378-L398 VanDerWaalsContact O-CD2 3.27Å; L378-L398 WeakPolarHBondContact O-CD2 3.44Å; L378-N401 WeakPolarHBondContact O-CB 3.31Å; L378-N401 PolarHBondContact O-ND2 3.49Å
379L92.9Very high93.4Very high60 Ų6052.4 Ų52.431%0.31426%0.257SS..  trans-106.8-29.6175.6-62.6-176.3000111.7V348 T377 N401 Y402V348-L379 HydrophobicContact CG1-CB 4.01Å; V348-L379 HydrophobicContact CG1-CD1 3.72Å; V348-L379 HydrophobicContact CG1-CG 3.88Å; V348-L379 PolarHBondContact O-N 3.41Å; T377-L379 PolarHBondContact O-N 3.36Å; L379-N401 HydrophobicContact CD2-CB 4.1Å; L379-Y402 HydrophobicContact CD2-CD2 4.43Å
380R93.9Very high93.3Very high147 Ų14752.4 Ų52.456%0.55526%0.257SS*.EExtended strand (participates in β ladder)trans-135.8124.7-179.3-53-178.281.9162.4-0.5110.8V348 E349 I350V348-R380 PolarHBondContact O-N 3.42Å; V348-R380 VanDerWaalsContact O-N 3.15Å; E349-R380 WeakPolarHBondContact CA-O 3.4Å; E349-R380 HydrophobicContact CB-CB 4.3Å; E349-R380 HydrophobicContact CG-CB 4Å; E349-R380 HydrophobicContact CG-CG 4.16Å; E349-R380 WeakPolarHBondContact OE1-CD 3.36Å; E349-R380 IonicContact OE1-NH1 2.66Å; I350-R380 PolarHBondContact N-O 3.05Å
381V94.7Very high93.3Very high21 Ų2152.1 Ų52.113%0.12726%0.256CS..EExtended strand (participates in β ladder)trans-122.6103.7175.8177.10000107.7I350 V372 L378 I383 L398I350-V381 HydrophobicContact CG2-CB 4.25Å; I350-V381 HydrophobicContact CG2-CG1 4.16Å; I350-V381 HydrophobicContact CG2-CG2 3.9Å; I350-V381 CarbonylContact O-C 3.31Å; I350-V381 WeakPolarHBondContact O-CA 3.48Å; V372-V381 HydrophobicContact CG1-CG2 4.35Å; V372-V381 HydrophobicContact CG2-CG2 4.21Å; L378-V381 HydrophobicContact CB-CG2 4.42Å; L378-V381 HydrophobicContact CD1-CG2 4.3Å; V381-I383 VanDerWaalsContact C-N 3.29Å; V381-I383 HydrophobicContact CG1-CB 4.07Å; V381-I383 HydrophobicContact CG1-CD1 3.92Å; V381-I383 HydrophobicContact CG1-CG1 3.88Å; V381-I383 PolarHBondContact O-N 3.49Å; V381-I383 VanDerWaalsContact O-N 3.12Å; V381-L398 HydrophobicContact CB-CD1 4.23Å; V381-L398 HydrophobicContact CG2-CD1 4.28Å; V381-L398 HydrophobicContact CG2-CD2 3.91Å
382G93.6Very high93.3Very high5 Ų559.9 Ų59.95%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-80.275.8170.700000110.1I350 A352 E353I350-G382 PolarHBondContact O-N 3.45Å; A352-G382 CarbonylContact C-O 3.59Å; A352-G382 WeakPolarHBondContact CA-O 3.45Å; A352-G382 PolarHBondContact N-O 3.35Å; E353-G382 WeakPolarHBondContact CG-O 3.37Å; E353-G382 PolarHBondContact N-O 2.68Å; E353-G382 VanDerWaalsContact N-O 3.11Å; E353-G382 WeakPolarHBondContact OE1-CA 3.41Å
383I92.4Very high93.4Very high12 Ų1262.7 Ų62.76%0.06230%0.297CS..  trans-136.9128.5169.6-61.9176.7000107L338 A352 L360 L368 V381 F385L338-I383 HydrophobicContact CD1-CD1 4.18Å; A352-I383 HydrophobicContact CB-CG1 4.13Å; L360-I383 HydrophobicContact CD1-CG2 3.72Å; L368-I383 HydrophobicContact CD1-CG2 4.32Å; L368-I383 HydrophobicContact CD2-CD1 4.37Å; V381-I383 VanDerWaalsContact C-N 3.29Å; V381-I383 HydrophobicContact CG1-CB 4.07Å; V381-I383 HydrophobicContact CG1-CD1 3.92Å; V381-I383 HydrophobicContact CG1-CG1 3.88Å; V381-I383 PolarHBondContact O-N 3.49Å; V381-I383 VanDerWaalsContact O-N 3.12Å; I383-F385 HydrophobicContact CB-CE2 3.97Å; I383-F385 HydrophobicContact CB-CZ 4.11Å; I383-F385 HydrophobicContact CG2-CE1 4.35Å; I383-F385 HydrophobicContact CG2-CE2 4.1Å; I383-F385 HydrophobicContact CG2-CZ 3.99Å; I383-F385 VanDerWaalsContact O-CD2 3.23Å; I383-F385 WeakPolarHBondContact O-CD2 3.22Å; I383-F385 VanDerWaalsContact O-CE2 3.32Å; I383-F385 WeakPolarHBondContact O-CE2 3.23Å
384T91.5Very high93.5Very high84 Ų8459.2 Ų59.252%0.51528%0.281SS..  trans-83.1123.2175.2-46.30000110.1
385F92.3Very high93.6Very high10 Ų1056.7 Ų56.74%0.04428%0.278CS..  trans-106.4132.4175.3-58.2-94.3000110.1E365 L368 I383 A390 R391 V394E365-F385 HydrophobicContact CB-CD1 4.05Å; E365-F385 HydrophobicContact CG-CD1 4.05Å; L368-F385 HydrophobicContact CB-CE1 3.8Å; L368-F385 HydrophobicContact CB-CZ 4.33Å; L368-F385 HydrophobicContact CD1-CE1 4.2Å; I383-F385 HydrophobicContact CB-CE2 3.97Å; I383-F385 HydrophobicContact CB-CZ 4.11Å; I383-F385 HydrophobicContact CG2-CE1 4.35Å; I383-F385 HydrophobicContact CG2-CE2 4.1Å; I383-F385 HydrophobicContact CG2-CZ 3.99Å; I383-F385 VanDerWaalsContact O-CD2 3.23Å; I383-F385 WeakPolarHBondContact O-CD2 3.22Å; I383-F385 VanDerWaalsContact O-CE2 3.32Å; I383-F385 WeakPolarHBondContact O-CE2 3.23Å; F385-A390 HydrophobicContact CB-CB 4.47Å; F385-A390 HydrophobicContact CD1-CB 3.9Å; F385-A390 HydrophobicContact CG-CB 4.44Å; F385-R391 HydrophobicContact CB-CG 3.5Å; F385-R391 VanDerWaalsContact CB-CG 3.5Å; F385-R391 HydrophobicContact CG-CG 4.41Å; F385-R391 VanDerWaalsContact O-CD 3.26Å; F385-R391 WeakPolarHBondContact O-CD 3.38Å; F385-V394 HydrophobicContact CE1-CG2 4.18Å; F385-V394 HydrophobicContact CE2-CB 4.27Å; F385-V394 HydrophobicContact CE2-CG1 4Å; F385-V394 HydrophobicContact CE2-CG2 3.94Å; F385-V394 HydrophobicContact CZ-CB 4.5Å; F385-V394 HydrophobicContact CZ-CG1 4.41Å; F385-V394 HydrophobicContact CZ-CG2 3.69Å
386N91.4Very high93.7Very high89 Ų8958.9 Ų58.948%0.47629%0.289SS..  trans-85.2-30.1175.3-65.5-57.3000111.7E365E365-N386 VanDerWaalsContact CD-N 3.32Å; E365-N386 PolarHBondContact OE1-N 3.29Å; E365-N386 PolarHBondContact OE1-ND2 3.5Å; E365-N386 PolarHBondContact OE2-N 3.04Å
387M92.8Very high93.9Very high43 Ų4358.4 Ų58.421%0.21228%0.284CS..SBendtrans-80.8124.6-177.9-160.6172.672.400111.9N362 E365 M366 E389 A390 R391N362-M387 HydrophobicContact CB-SD 4.37Å; E365-M387 VanDerWaalsContact OE2-CB 3.3Å; E365-M387 WeakPolarHBondContact OE2-CB 3.37Å; E365-M387 PolarHBondContact OE2-N 3.37Å; M366-M387 HydrophobicContact CE-CE 4.41Å; M366-M387 HydrophobicContact CG-CE 3.22Å; M366-M387 HydrophobicContact CG-SD 4.46Å; M366-M387 HydrophobicContact SD-CE 3.11Å; M366-M387 WeakPolarHBondContact SD-CE 3.21Å; M387-E389 VanDerWaalsContact C-N 3.29Å; M387-E389 HydrophobicContact CE-CB 4.07Å; M387-E389 PolarHBondContact O-N 3.37Å; M387-A390 HydrophobicContact CB-CB 4.25Å; M387-A390 HydrophobicContact CE-CB 3.96Å; M387-A390 PolarHBondContact O-N 2.9Å; M387-R391 PolarHBondContact O-N 3.16Å
388M93.6Very high94.1Very high130 Ų13057.6 Ų57.664%0.6428%0.277SS*.Hα-helixtrans-53.8-43.2-179.8-67.7-63.1-50.500113.2R391 Y392M388-R391 PolarHBondContact O-N 3.16Å; M388-R391 PolarHBondContact SD-NH2 3.43Å; M388-Y392 PolarHBondContact O-N 3.03Å
389E95.4Very high94.1Very high107 Ų10763.4 Ų63.450%0.531%0.305SS..Hα-helixtrans-66.1-47.2-178-178.8-178168.600111.4M366 M387 R391 Y392 R393M366-E389 HydrophobicContact CE-CG 4.47Å; M366-E389 WeakPolarHBondContact CE-OE1 3.24Å; M366-E389 HydrophobicContact SD-CG 4.45Å; M387-E389 VanDerWaalsContact C-N 3.29Å; M387-E389 HydrophobicContact CE-CB 4.07Å; M387-E389 PolarHBondContact O-N 3.37Å; E389-R391 VanDerWaalsContact C-N 3.32Å; E389-R391 PolarHBondContact O-N 3.39Å; E389-Y392 PolarHBondContact O-N 3.06Å; E389-R393 HydrophobicContact CG-CG 4.46Å; E389-R393 WeakPolarHBondContact O-CB 3.47Å; E389-R393 VanDerWaalsContact O-CG 3.29Å; E389-R393 WeakPolarHBondContact O-CG 3.49Å; E389-R393 PolarHBondContact O-N 3.16Å
390A94.9Very high94.1Very high0 Ų065 Ų650%031%0.309CS..Hα-helixtrans-59.9-43.617700000111.2E365 M366 A369 F385 M387 Y392 R393 V394E365-A390 HydrophobicContact CB-CB 4.17Å; M366-A390 HydrophobicContact SD-CB 4.41Å; A369-A390 HydrophobicContact CB-CB 4.12Å; F385-A390 HydrophobicContact CB-CB 4.47Å; F385-A390 HydrophobicContact CD1-CB 3.9Å; F385-A390 HydrophobicContact CG-CB 4.44Å; M387-A390 HydrophobicContact CB-CB 4.25Å; M387-A390 HydrophobicContact CE-CB 3.96Å; M387-A390 PolarHBondContact O-N 2.9Å; A390-Y392 PolarHBondContact O-N 3.01Å; A390-R393 PolarHBondContact O-N 3.22Å; A390-V394 WeakPolarHBondContact O-CB 3.42Å; A390-V394 VanDerWaalsContact O-CG2 3.29Å; A390-V394 WeakPolarHBondContact O-CG2 3.33Å; A390-V394 PolarHBondContact O-N 3.39Å
391R94.8Very high94Very high109 Ų10958.3 Ų58.341%0.41128%0.284SS..Hα-helixtrans-55.8-51.8173.8-76.8-163.8-61.1-154.421.7112.8F385 M387 M388 E389 R393 V394 S395F385-R391 HydrophobicContact CB-CG 3.5Å; F385-R391 VanDerWaalsContact CB-CG 3.5Å; F385-R391 HydrophobicContact CG-CG 4.41Å; F385-R391 VanDerWaalsContact O-CD 3.26Å; F385-R391 WeakPolarHBondContact O-CD 3.38Å; M387-R391 PolarHBondContact O-N 3.16Å; M388-R391 PolarHBondContact O-N 3.16Å; M388-R391 PolarHBondContact SD-NH2 3.43Å; E389-R391 VanDerWaalsContact C-N 3.32Å; E389-R391 PolarHBondContact O-N 3.39Å; R391-R393 PolarHBondContact O-N 3.1Å; R391-V394 PolarHBondContact O-N 3.44Å; R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.98Å; R391-S395 PolarHBondContact O-OG 2.85Å; R391-S395 VanDerWaalsContact O-OG 3.11Å
392Y96.4Very high93.8Very high165 Ų16564.3 Ų64.365%0.64731%0.306SS*.Hα-helixtrans-61-46.6-177.8177.1-94.7000111.4M388 E389 A390 V394 S395 D396M388-Y392 PolarHBondContact O-N 3.03Å; E389-Y392 PolarHBondContact O-N 3.06Å; A390-Y392 PolarHBondContact O-N 3.01Å; Y392-V394 PolarHBondContact O-N 2.93Å; Y392-S395 PolarHBondContact O-N 3.27Å; Y392-D396 WeakPolarHBondContact O-CB 3.26Å; Y392-D396 PolarHBondContact O-N 3.45Å
393R96.2Very high93.6Very high60 Ų6070.1 Ų70.123%0.22633%0.331CS..Hα-helixtrans-62.3-43.5-179.7-69.9-18072.5175.90.8112.5M366 A369 E373 E389 A390 R391 A397M366-R393 VanDerWaalsContact CE-NH1 3.34Å; A369-R393 HydrophobicContact CB-CB 4.41Å; E373-R393 WeakPolarHBondContact OE1-CB 3.45Å; E373-R393 IonicContact OE1-CZ 3.69Å; E373-R393 VanDerWaalsContact OE1-CZ 3.25Å; E373-R393 IonicContact OE1-NE 2.63Å; E373-R393 PolarHBondContact OE1-NE 3.1Å; E373-R393 IonicContact OE1-NH2 3.87Å; E373-R393 PolarHBondContact OE1-NH2 3.12Å; E373-R393 IonicContact OE2-CZ 3.06Å; E373-R393 IonicContact OE2-NE 3.25Å; E373-R393 IonicContact OE2-NH2 3.64Å; E373-R393 PolarHBondContact OE2-NH2 3.07Å; E389-R393 HydrophobicContact CG-CG 4.46Å; E389-R393 WeakPolarHBondContact O-CB 3.47Å; E389-R393 VanDerWaalsContact O-CG 3.29Å; E389-R393 WeakPolarHBondContact O-CG 3.49Å; E389-R393 PolarHBondContact O-N 3.16Å; A390-R393 PolarHBondContact O-N 3.22Å; R391-R393 PolarHBondContact O-N 3.1Å; R393-A397 WeakPolarHBondContact O-CB 3.48Å; R393-A397 PolarHBondContact O-N 3.23Å
394V96Very high93.2Very high7 Ų778 Ų784%0.04236%0.36CS..Hα-helixtrans-64.3-46.6176169.40000110.8A369 V372 F385 A390 R391 Y392 D396 A397 L398A369-V394 HydrophobicContact CB-CG2 3.9Å; V372-V394 HydrophobicContact CB-CG2 4.32Å; V372-V394 HydrophobicContact CG1-CG1 4.26Å; V372-V394 HydrophobicContact CG2-CG2 4.42Å; F385-V394 HydrophobicContact CE1-CG2 4.18Å; F385-V394 HydrophobicContact CE2-CB 4.27Å; F385-V394 HydrophobicContact CE2-CG1 4Å; F385-V394 HydrophobicContact CE2-CG2 3.94Å; F385-V394 HydrophobicContact CZ-CB 4.5Å; F385-V394 HydrophobicContact CZ-CG1 4.41Å; F385-V394 HydrophobicContact CZ-CG2 3.69Å; A390-V394 WeakPolarHBondContact O-CB 3.42Å; A390-V394 VanDerWaalsContact O-CG2 3.29Å; A390-V394 WeakPolarHBondContact O-CG2 3.33Å; A390-V394 PolarHBondContact O-N 3.39Å; R391-V394 PolarHBondContact O-N 3.44Å; Y392-V394 PolarHBondContact O-N 2.93Å; V394-D396 PolarHBondContact O-N 2.86Å; V394-A397 PolarHBondContact O-N 3.26Å; V394-L398 HydrophobicContact CG1-CD1 4.01Å; V394-L398 HydrophobicContact CG1-CG 4.34Å; V394-L398 VanDerWaalsContact O-CG 3.29Å; V394-L398 WeakPolarHBondContact O-CG 3.33Å; V394-L398 PolarHBondContact O-N 3.47Å
395S95.3Very high92Very high76 Ų7676.7 Ų76.753%0.53136%0.364SS..Hα-helixtrans-60-45.9177.7-65.10000112.5R391 Y392 A397 L398 E399R391-S395 WeakPolarHBondContact O-CB 3.48Å; R391-S395 PolarHBondContact O-N 2.98Å; R391-S395 PolarHBondContact O-OG 2.85Å; R391-S395 VanDerWaalsContact O-OG 3.11Å; Y392-S395 PolarHBondContact O-N 3.27Å; S395-A397 PolarHBondContact O-N 2.98Å; S395-L398 PolarHBondContact O-N 3.13Å; S395-E399 WeakPolarHBondContact O-CB 3.42Å; S395-E399 PolarHBondContact O-N 3.14Å
396D95.7Very high90Very high48 Ų4878.6 Ų78.626%0.25737%0.374SS..Hα-helixtrans-63.4-38.8177.318046.3000111.8Y392 V394 K400Y392-D396 WeakPolarHBondContact O-CB 3.26Å; Y392-D396 PolarHBondContact O-N 3.45Å; V394-D396 PolarHBondContact O-N 2.86Å; D396-K400 VanDerWaalsContact CG-NZ 3.3Å; D396-K400 VanDerWaalsContact O-CG 3.27Å; D396-K400 WeakPolarHBondContact O-CG 2.94Å; D396-K400 PolarHBondContact O-N 2.92Å; D396-K400 WeakPolarHBondContact OD1-CE 3.24Å; D396-K400 IonicContact OD1-NZ 3.46Å; D396-K400 PolarHBondContact OD1-NZ 3.31Å; D396-K400 WeakPolarHBondContact OD2-CE 3.49Å; D396-K400 IonicContact OD2-NZ 2.94Å; D396-K400 PolarHBondContact OD2-NZ 3.06Å
397A94.3Very high87.8Confident8 Ų878.8 Ų78.87%0.06638%0.38CS..Hα-helixtrans-64.8-44.2174.400000112.5V372 E373 R393 V394 S395 K400 N401V372-A397 HydrophobicContact CG1-CB 4.22Å; E373-A397 HydrophobicContact CG-CB 4.04Å; R393-A397 WeakPolarHBondContact O-CB 3.48Å; R393-A397 PolarHBondContact O-N 3.23Å; V394-A397 PolarHBondContact O-N 3.26Å; S395-A397 PolarHBondContact O-N 2.98Å; A397-K400 PolarHBondContact O-N 2.96Å; A397-N401 VanDerWaalsContact O-CG 3.24Å; A397-N401 PolarHBondContact O-N 3.42Å
398L94.3Very high85.2Confident28 Ų2885 Ų8515%0.14741%0.413CS..Hα-helixtrans-67.6-38.2178.5-67-179.5000112.2V372 L378 V381 V394 S395 N401 Y402V372-L398 HydrophobicContact CG1-CD2 4.2Å; L378-L398 HydrophobicContact CB-CD2 4.22Å; L378-L398 VanDerWaalsContact O-CD2 3.27Å; L378-L398 WeakPolarHBondContact O-CD2 3.44Å; V381-L398 HydrophobicContact CB-CD1 4.23Å; V381-L398 HydrophobicContact CG2-CD1 4.28Å; V381-L398 HydrophobicContact CG2-CD2 3.91Å; V394-L398 HydrophobicContact CG1-CD1 4.01Å; V394-L398 HydrophobicContact CG1-CG 4.34Å; V394-L398 VanDerWaalsContact O-CG 3.29Å; V394-L398 WeakPolarHBondContact O-CG 3.33Å; V394-L398 PolarHBondContact O-N 3.47Å; S395-L398 PolarHBondContact O-N 3.13Å; L398-N401 PolarHBondContact O-N 3.05Å; L398-Y402 WeakPolarHBondContact O-CB 3.43Å; L398-Y402 PolarHBondContact O-N 3.04Å
399E93.1Very high82.6Confident122 Ų12288.5 Ų88.557%0.5743%0.425SS*.Hα-helixtrans-61.7-47.7174.1-173.9171.1-17300111S395 N401 Y402 E403S395-E399 WeakPolarHBondContact O-CB 3.42Å; S395-E399 PolarHBondContact O-N 3.14Å; E399-N401 VanDerWaalsContact C-N 3.29Å; E399-N401 PolarHBondContact O-N 2.75Å; E399-Y402 WeakPolarHBondContact O-CB 3.38Å; E399-Y402 PolarHBondContact O-N 3.02Å; E399-Y402 VanDerWaalsContact O-N 3.13Å; E399-E403 WeakPolarHBondContact O-CG 3.22Å; E399-E403 PolarHBondContact O-N 2.89Å
400K93.1Very high80Confident94 Ų9487.2 Ų87.241%0.40943%0.428SS..Hα-helixtrans-58.8-38.8174.3-73.5168.9-170.8161.80112.9D396 A397 R404D396-K400 VanDerWaalsContact CG-NZ 3.3Å; D396-K400 VanDerWaalsContact O-CG 3.27Å; D396-K400 WeakPolarHBondContact O-CG 2.94Å; D396-K400 PolarHBondContact O-N 2.92Å; D396-K400 WeakPolarHBondContact OD1-CE 3.24Å; D396-K400 IonicContact OD1-NZ 3.46Å; D396-K400 PolarHBondContact OD1-NZ 3.31Å; D396-K400 WeakPolarHBondContact OD2-CE 3.49Å; D396-K400 IonicContact OD2-NZ 2.94Å; D396-K400 PolarHBondContact OD2-NZ 3.06Å; A397-K400 PolarHBondContact O-N 2.96Å; K400-R404 WeakPolarHBondContact O-CG 3.41Å; K400-R404 PolarHBondContact O-N 3.45Å; K400-R404 VanDerWaalsContact O-N 3.16Å
401N92Very high77.6Confident6 Ų693.8 Ų93.83%0.03246%0.462CS..Hα-helixtrans-69.9-38.2177.3-70.7-12.7000111.7N375 G376 L378 L379 A397 L398 E399 R404 G405N375-N401 PolarHBondContact O-ND2 3.33Å; N375-N401 PolarHBondContact O-OD1 3.31Å; G376-N401 WeakPolarHBondContact CA-OD1 3.38Å; G376-N401 PolarHBondContact O-OD1 3.45Å; L378-N401 WeakPolarHBondContact O-CB 3.31Å; L378-N401 PolarHBondContact O-ND2 3.49Å; L379-N401 HydrophobicContact CD2-CB 4.1Å; A397-N401 VanDerWaalsContact O-CG 3.24Å; A397-N401 PolarHBondContact O-N 3.42Å; L398-N401 PolarHBondContact O-N 3.05Å; E399-N401 VanDerWaalsContact C-N 3.29Å; E399-N401 PolarHBondContact O-N 2.75Å; N401-R404 PolarHBondContact O-N 3.46Å; N401-G405 PolarHBondContact O-N 3.4Å
402Y91.3Very high75Confident147 Ų14794.7 Ų94.758%0.57648%0.48SS*.Hα-helixtrans-60.8-45.8173.9-166.9-93.5000111.3L379 L398 E399 R404 G405 I406L379-Y402 HydrophobicContact CD2-CD2 4.43Å; L398-Y402 WeakPolarHBondContact O-CB 3.43Å; L398-Y402 PolarHBondContact O-N 3.04Å; E399-Y402 WeakPolarHBondContact O-CB 3.38Å; E399-Y402 PolarHBondContact O-N 3.02Å; E399-Y402 VanDerWaalsContact O-N 3.13Å; Y402-R404 VanDerWaalsContact C-N 3.31Å; Y402-R404 PolarHBondContact O-N 3.1Å; Y402-G405 PolarHBondContact O-N 3.17Å; Y402-G405 VanDerWaalsContact O-N 3.13Å; Y402-I406 HydrophobicContact CD1-CD1 3.9Å; Y402-I406 HydrophobicContact CD1-CG1 4.42Å; Y402-I406 HydrophobicContact CE1-CD1 3.81Å; Y402-I406 HydrophobicContact CE1-CG1 4.29Å; Y402-I406 WeakPolarHBondContact O-CG1 3.22Å; Y402-I406 PolarHBondContact O-N 3.13Å
403E89.2Confident72.4Confident127 Ų12790.2 Ų90.259%0.59348%0.477SS*.Hα-helixtrans-59.8-38.4175.7-70.5-172.5159.100113E399 G405 I406E399-E403 WeakPolarHBondContact O-CG 3.22Å; E399-E403 PolarHBondContact O-N 2.89Å; E403-G405 VanDerWaalsContact C-N 3.34Å; E403-I406 PolarHBondContact O-N 3.1Å
404R83.1Confident70.1Confident177 Ų17792.7 Ų92.767%0.66850%0.501SS*.Hα-helixtrans-67.1-34.4175.6-71.5170.9-179.1171.60.1112.9K400 N401 Y402 I406K400-R404 WeakPolarHBondContact O-CG 3.41Å; K400-R404 PolarHBondContact O-N 3.45Å; K400-R404 VanDerWaalsContact O-N 3.16Å; N401-R404 PolarHBondContact O-N 3.46Å; Y402-R404 VanDerWaalsContact C-N 3.31Å; Y402-R404 PolarHBondContact O-N 3.1Å; R404-I406 VanDerWaalsContact C-N 3.28Å
405G67.1Low67.7Low58 Ų5897.8 Ų97.860%0.59853%0.533SS*.Hα-helixtrans-74.2-16.7179.100000113.9N401 Y402 E403 P407N401-G405 PolarHBondContact O-N 3.4Å; Y402-G405 PolarHBondContact O-N 3.17Å; Y402-G405 VanDerWaalsContact O-N 3.13Å; E403-G405 VanDerWaalsContact C-N 3.34Å; G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.31Å
406I51.2Low65.4Low49 Ų49102.3 Ų102.325%0.25155%0.551SS.*SBendtrans-79.2112.4171-59.7166000107.4Y402 E403 R404 L408Y402-I406 HydrophobicContact CD1-CD1 3.9Å; Y402-I406 HydrophobicContact CD1-CG1 4.42Å; Y402-I406 HydrophobicContact CE1-CD1 3.81Å; Y402-I406 HydrophobicContact CE1-CG1 4.29Å; Y402-I406 WeakPolarHBondContact O-CG1 3.22Å; Y402-I406 PolarHBondContact O-N 3.13Å; E403-I406 PolarHBondContact O-N 3.1Å; R404-I406 VanDerWaalsContact C-N 3.28Å; I406-L408 PolarHBondContact O-N 3.1Å
407P43.4Very low63Low94 Ų94107.8 Ų107.861%0.6158%0.579SS**  trans-56.3123.2166.923.8-31.2000107.6G405 F409 S410G405-P407 VanDerWaalsContact O-CD 3.24Å; G405-P407 WeakPolarHBondContact O-CD 3.31Å; P407-F409 PolarHBondContact O-N 3.33Å; P407-S410 PolarHBondContact O-N 3.03Å
408L38.5Very low60.7Low172 Ų172114.6 Ų114.690%0.90161%0.614SS**THydrogen-bonded Turntrans-5312.3-178.8-92.2162.1000115.9I406I406-L408 PolarHBondContact O-N 3.1Å
409F40.3Very low59.1Low204 Ų204118.2 Ų118.290%0.89564%0.639SS**THydrogen-bonded Turntrans-105.72-179.2-83.5-83.4000115.2P407P407-F409 PolarHBondContact O-N 3.33Å
410S41Very low57.4Low81 Ų81118.6 Ų118.657%0.56665%0.652SS**  trans-112.3-5.3-176.868.20000116.9P407 V412P407-S410 PolarHBondContact O-N 3.03Å; S410-V412 VanDerWaalsContact C-N 3.26Å; S410-V412 PolarHBondContact O-N 3.32Å
411I43.3Very low55Low138 Ų138122.9 Ų122.971%0.70867%0.671SS**  trans-87.670.7173.7-55.1175.2000109.1
412V40.4Very low52.7Low128 Ų128127.8 Ų127.878%0.77671%0.705SS**  trans-8597.5151.2173.70000105.1S410S410-V412 VanDerWaalsContact C-N 3.26Å; S410-V412 PolarHBondContact O-N 3.32Å
413A42Very low50.3Low71 Ų71126.2 Ų126.259%0.58772%0.716SS**PPolyproline II helixtrans-51.9132.9167.200000108.9
414P46.9Very low48.1Very low112 Ų112125.7 Ų125.773%0.72773%0.727SS**PPolyproline II helixtrans-61.5128.3172.524.4-30000108L416P414-L416 PolarHBondContact O-N 3.14Å; P414-L416 VanDerWaalsContact O-N 3.17Å
415P47.5Very low46.2Very low113 Ų113122.2 Ų122.273%0.73473%0.729SS**PPolyproline II helixtrans-65.7122177.626.7-31000108L417P415-L417 VanDerWaalsContact C-N 3.33Å; P415-L417 PolarHBondContact O-N 2.94Å
416L46.9Very low45.1Very low171 Ų171123.8 Ų123.890%0.89574%0.737SS**  trans-57.397.2167.5-69.7172.9000108.5P414 L418P414-L416 PolarHBondContact O-N 3.14Å; P414-L416 VanDerWaalsContact O-N 3.17Å; L416-L418 PolarHBondContact O-N 3.29Å; L416-L418 VanDerWaalsContact O-N 3.16Å
417L44.8Very low44.9Very low163 Ų163126.5 Ų126.585%0.85376%0.76SS**  trans-82.389.1175.5-160.190.4000108.5P415P415-L417 VanDerWaalsContact C-N 3.33Å; P415-L417 PolarHBondContact O-N 2.94Å
418L46.5Very low44.9Very low152 Ų152129.8 Ų129.880%0.79677%0.773SS**PPolyproline II helixtrans-66.3129.3163.3-74.6164.4000108.8L416L416-L418 PolarHBondContact O-N 3.29Å; L416-L418 VanDerWaalsContact O-N 3.16Å
419P59.1Low45.2Very low104 Ų104126.7 Ų126.768%0.67577%0.765SS**PPolyproline II helixtrans-72.8132.2175.828.1-32.3000110.7
420P59.1Low45.4Very low129 Ų129128.6 Ų128.684%0.83877%0.766SS**PPolyproline II helixtrans-76131.5173.828.8-30.3000111.3
421F42.2Very low45.4Very low185 Ų185135.2 Ų135.281%0.81178%0.779SS**PPolyproline II helixtrans-73.1161.5168.3-98.6-97.9000112.2
422S44Very low45.5Very low108 Ų108137.6 Ų137.676%0.75579%0.785SS**  trans87.5104.1166.186.80000115.1
423S40.8Very low46.1Very low114 Ų114143.3 Ų143.380%0.79781%0.809SS**  96.8116.974.971.70000111
424S42.1Very low46.3Very low117 Ų117146.9 Ų146.982%0.81882%0.82SS**  trans172.9118.3141-175.80000111.6
425S43.1Very low46.2Very low104 Ų104148.7 Ų148.773%0.72783%0.825SS**  trans54.4105.2136.2-163.40000120.8
426A45Very low46.2Very low91 Ų91150.7 Ų150.775%0.75283%0.83SS**  4.4124.5127.100000117.6
427S45.4Very low46.1Very low106 Ų106149.5 Ų149.574%0.74183%0.827SS**  166.9109.6114.4-1730000109.6
428N44.6Very low46.2Very low163 Ų163148.7 Ų148.787%0.87283%0.825SS**  -168.3124.7129.6-104.7-30.5000112.2
429S45Very low46.2Very low107 Ų107148.5 Ų148.575%0.74883%0.827SS**  trans-69.6146.1171.9-70.40000112.2
430R44.1Very low45.3Very low243 Ų243151.6 Ų151.692%0.91784%0.838SS**  trans165.296.7134.3-90.3164-174.4-155.32.2107.7
431R40Very low44.2Very low221 Ų221153.4 Ų153.483%0.83484%0.838SS**  38.3115.3101.8-86.8-172.2-173.7167.73.7113.3
432F47.2Very low44.4Very low188 Ų188150.8 Ų150.883%0.82584%0.84SS**  -178.6133.998.9-98.8-78.8000110.3
433L51.3Low44.4Very low247 Ų247154.6 Ų154.6100%1.29385%0.848SS**  trans74.30177.9-64.8169.3000118

Retrieved 433 of 433 residues in 108.1 ms (Link to these results)