A0A5K4EVB5_SCHMA Loading...

Putative translation elongation factor G

AlphaFold DB , UniProt , Accession A0A5K4EVB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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
1M35.4Very low39.2Very low240 Ų240130.3 Ų130.3100%1.18270%0.695SS**  092.50-81.2174.7161.500107.2
2F36.4Very low39.6Very low222 Ų222127.4 Ų127.497%0.97468%0.679SS**  trans-89.6107-179.1-74-81.2000108.4
3G37Very low39.9Very low61 Ų61127.2 Ų127.263%0.62968%0.678SS**  trans-72.8152.9174.900000111.9
4N36.5Very low40.5Very low118 Ų118123.1 Ų123.163%0.63166%0.656SS**  trans-44.4130.5-173.9-94.9-22.4000114.2E6 V7N4-E6 PolarHBondContact O-N 2.84Å; N4-E6 VanDerWaalsContact O-N 3.15Å; N4-V7 HydrophobicContact CB-CG2 4.22Å; N4-V7 PolarHBondContact O-N 3.18Å; N4-V7 VanDerWaalsContact O-N 3.12Å
5P40.8Very low41.1Very low102 Ų102122.2 Ų122.266%0.66266%0.656SS**Hα-helixtrans-63.8-19.4-179.724.2-32.2000114.1V7P5-V7 VanDerWaalsContact C-N 3.34Å
6E39.7Very low41.6Very low164 Ų164121.3 Ų121.377%0.76665%0.651SS**Hα-helixtrans-72.9-22175.8-74.3-177.1156.400113.8N4N4-E6 PolarHBondContact O-N 2.84Å; N4-E6 VanDerWaalsContact O-N 3.15Å
7V43.1Very low42.4Very low92 Ų92119.2 Ų119.256%0.55863%0.633SS**Hα-helixtrans-77.6-31.3177.2-176.80000110.9N4 P5 M9 N10N4-V7 HydrophobicContact CB-CG2 4.22Å; N4-V7 PolarHBondContact O-N 3.18Å; N4-V7 VanDerWaalsContact O-N 3.12Å; P5-V7 VanDerWaalsContact C-N 3.34Å; V7-M9 VanDerWaalsContact C-N 3.31Å; V7-M9 PolarHBondContact O-N 3.3Å; V7-N10 PolarHBondContact O-N 3.4Å
8I39Very low42.4Very low94 Ų94116.7 Ų116.748%0.48262%0.619SS.*Hα-helixtrans-70.1-27.5-176.3-57.1175.4000111.8
9M38.3Very low42.5Very low149 Ų149113.7 Ų113.773%0.73461%0.609SS**Hα-helixtrans-73.2-24.6179.3-92.9-159.7-177.800114.1V7V7-M9 VanDerWaalsContact C-N 3.31Å; V7-M9 PolarHBondContact O-N 3.3Å
10N41.5Very low42.9Very low128 Ų128117 Ų11768%0.68461%0.612SS**Hα-helixtrans-81.2-26.1177.2-87.3-14.4000113V7V7-N10 PolarHBondContact O-N 3.4Å
11D43.7Very low43.2Very low63 Ų63114.2 Ų114.234%0.33760%0.597SS.*Hα-helixtrans-78.6-20.2-179.1-80.9-27.7000113.8N13 N14 Y17D11-N13 PolarHBondContact O-N 3.22Å; D11-N14 WeakPolarHBondContact O-CB 3.31Å; D11-N14 PolarHBondContact O-N 3.27Å; D11-Y17 HydrophobicContact CB-CD1 4.06Å; D11-Y17 HydrophobicContact CB-CD2 4.43Å; D11-Y17 HydrophobicContact CB-CE1 4.12Å; D11-Y17 HydrophobicContact CB-CE2 4.49Å; D11-Y17 HydrophobicContact CB-CG 4.21Å; D11-Y17 WeakPolarHBondContact O-CD1 3.36Å
12L43.4Very low43.7Very low96 Ų96107.8 Ų107.850%0.50357%0.567SS.*THydrogen-bonded Turntrans-69.7-15.5176.3-73.9165.7000113.6L18L12-L18 HydrophobicContact CD2-CD2 4.27Å
13N44.1Very low44.1Very low125 Ų125101.9 Ų101.967%0.66855%0.546SS*.THydrogen-bonded Turntrans-87.8-6.2172.3-68.2-34.5000112.8D11D11-N13 PolarHBondContact O-N 3.22Å
14N48.7Very low44.4Very low69 Ų69104 Ų10437%0.36954%0.543SS..  trans-90.7106.3-179.5-170-7.2000110.1D11 D16 Y17 L18D11-N14 WeakPolarHBondContact O-CB 3.31Å; D11-N14 PolarHBondContact O-N 3.27Å; N14-D16 PolarHBondContact O-N 3.44Å; N14-D16 WeakPolarHBondContact OD1-CB 3.43Å; N14-D16 PolarHBondContact OD1-N 3.05Å; N14-Y17 WeakPolarHBondContact O-CB 3.41Å; N14-Y17 PolarHBondContact O-N 2.85Å; N14-L18 PolarHBondContact O-N 3.46Å
15V49.1Very low44.5Very low110 Ų110108.2 Ų108.267%0.66755%0.55SS**Hα-helixtrans-58-34.6179.31800000111.2Y17 L18 S19V15-Y17 PolarHBondContact O-N 3.44Å; V15-L18 PolarHBondContact O-N 2.7Å; V15-S19 PolarHBondContact O-N 3.48Å
16D48.3Very low44.4Very low108 Ų108107.6 Ų107.658%0.57855%0.548SS*.Hα-helixtrans-69-33.3177.9-66.9-25.2000112.4N14 R20N14-D16 PolarHBondContact O-N 3.44Å; N14-D16 WeakPolarHBondContact OD1-CB 3.43Å; N14-D16 PolarHBondContact OD1-N 3.05Å; D16-R20 WeakPolarHBondContact O-CG 3.15Å; D16-R20 PolarHBondContact O-N 3.41Å
17Y55Low44.3Very low85 Ų85105.5 Ų105.533%0.33355%0.546SS..Hα-helixtrans-67.2-44.5175.3177.6-103.2000111.1D11 N14 V15 R20 I21D11-Y17 HydrophobicContact CB-CD1 4.06Å; D11-Y17 HydrophobicContact CB-CD2 4.43Å; D11-Y17 HydrophobicContact CB-CE1 4.12Å; D11-Y17 HydrophobicContact CB-CE2 4.49Å; D11-Y17 HydrophobicContact CB-CG 4.21Å; D11-Y17 WeakPolarHBondContact O-CD1 3.36Å; N14-Y17 WeakPolarHBondContact O-CB 3.41Å; N14-Y17 PolarHBondContact O-N 2.85Å; V15-Y17 PolarHBondContact O-N 3.44Å; Y17-R20 PolarHBondContact O-N 3.06Å; Y17-I21 HydrophobicContact CD1-CD1 3.91Å; Y17-I21 HydrophobicContact CE1-CD1 3.28Å; Y17-I21 HydrophobicContact CE1-CG1 4.3Å; Y17-I21 HydrophobicContact CE2-CD1 4.2Å; Y17-I21 VanDerWaalsContact CZ-CD1 3.47Å; Y17-I21 WeakPolarHBondContact O-CG1 3.44Å; Y17-I21 PolarHBondContact O-N 3.31Å
18L43.1Very low44Very low75 Ų75106.2 Ų106.239%0.39356%0.555SS.*Hα-helixtrans-65.1-39.9177-67.8176.3000112.1L12 N14 V15 I21 L22L12-L18 HydrophobicContact CD2-CD2 4.27Å; N14-L18 PolarHBondContact O-N 3.46Å; V15-L18 PolarHBondContact O-N 2.7Å; L18-I21 PolarHBondContact O-N 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.2Å; L18-L22 PolarHBondContact O-N 3.12Å; L18-L22 VanDerWaalsContact O-N 3.15Å
19S44.3Very low44Very low60 Ų60106.9 Ų106.942%0.4257%0.568SS.*Hα-helixtrans-60-47.6171.9-102.30000111.6V15 I21 L22 D23V15-S19 PolarHBondContact O-N 3.48Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 2.91Å; S19-L22 PolarHBondContact O-N 3.32Å; S19-L22 VanDerWaalsContact O-N 3.16Å; S19-D23 WeakPolarHBondContact O-CB 3.44Å; S19-D23 VanDerWaalsContact O-CG 3.28Å; S19-D23 PolarHBondContact O-N 3.23Å
20R49.9Very low43.6Very low179 Ų179102.8 Ų102.868%0.67556%0.564SS**Hα-helixtrans-61.5-37.6178.8-77.5-178.8-168.4-176.85.2113.6D16 Y17 N24D16-R20 WeakPolarHBondContact O-CG 3.15Å; D16-R20 PolarHBondContact O-N 3.41Å; Y17-R20 PolarHBondContact O-N 3.06Å; R20-N24 VanDerWaalsContact O-CB 3.26Å; R20-N24 WeakPolarHBondContact O-CB 2.85Å; R20-N24 PolarHBondContact O-N 3.22Å; R20-N24 PolarHBondContact O-ND2 3.18Å; R20-N24 VanDerWaalsContact O-ND2 3.16Å
21I50.1Low43.3Very low58 Ų58104.1 Ų104.130%0.29757%0.571SS.*Hα-helixtrans-64.2-45.2175.9-72.3180000110.4Y17 L18 S19 N24 W25Y17-I21 HydrophobicContact CD1-CD1 3.91Å; Y17-I21 HydrophobicContact CE1-CD1 3.28Å; Y17-I21 HydrophobicContact CE1-CG1 4.3Å; Y17-I21 HydrophobicContact CE2-CD1 4.2Å; Y17-I21 VanDerWaalsContact CZ-CD1 3.47Å; Y17-I21 WeakPolarHBondContact O-CG1 3.44Å; Y17-I21 PolarHBondContact O-N 3.31Å; L18-I21 PolarHBondContact O-N 3.44Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 2.91Å; I21-N24 PolarHBondContact O-N 2.96Å; I21-W25 PolarHBondContact O-N 3.1Å
22L46.5Very low42.6Very low106 Ų106108.6 Ų108.656%0.55559%0.594SS**Hα-helixtrans-64.7-44.3179.5-70.3170.4000111.2L18 S19 N24 W25 S26L18-L22 WeakPolarHBondContact O-CG 3.2Å; L18-L22 PolarHBondContact O-N 3.12Å; L18-L22 VanDerWaalsContact O-N 3.15Å; S19-L22 PolarHBondContact O-N 3.32Å; S19-L22 VanDerWaalsContact O-N 3.16Å; L22-N24 PolarHBondContact O-N 2.92Å; L22-W25 PolarHBondContact O-N 3.31Å; L22-S26 PolarHBondContact O-N 2.89Å; L22-S26 PolarHBondContact O-OG 2.9Å
23D43.2Very low41.9Very low97 Ų97110 Ų11052%0.51961%0.61SS.*Hα-helixtrans-64.2-40.5178.8-68.4-24000111.9S19 W25 S26 V27S19-D23 WeakPolarHBondContact O-CB 3.44Å; S19-D23 VanDerWaalsContact O-CG 3.28Å; S19-D23 PolarHBondContact O-N 3.23Å; D23-W25 PolarHBondContact O-N 3.41Å; D23-S26 WeakPolarHBondContact CA-OG 3.16Å; D23-S26 PolarHBondContact O-N 3.36Å; D23-S26 PolarHBondContact O-OG 2.92Å; D23-V27 WeakPolarHBondContact O-CG2 3.13Å
24N44.4Very low41.4Very low106 Ų106109.7 Ų109.757%0.56762%0.615SS**Hα-helixtrans-71.1-27.1177.5-74.4-26.3000113.6R20 I21 L22 S28R20-N24 VanDerWaalsContact O-CB 3.26Å; R20-N24 WeakPolarHBondContact O-CB 2.85Å; R20-N24 PolarHBondContact O-N 3.22Å; R20-N24 PolarHBondContact O-ND2 3.18Å; R20-N24 VanDerWaalsContact O-ND2 3.16Å; I21-N24 PolarHBondContact O-N 2.96Å; L22-N24 PolarHBondContact O-N 2.92Å; N24-S28 PolarHBondContact O-OG 3.18Å
25W38.8Very low40.6Very low207 Ų207111.7 Ų111.778%0.78464%0.635SS**Hα-helixtrans-73.5-28.3174.3-83.822.7000112.5I21 L22 D23 V27I21-W25 PolarHBondContact O-N 3.1Å; L22-W25 PolarHBondContact O-N 3.31Å; D23-W25 PolarHBondContact O-N 3.41Å; W25-V27 VanDerWaalsContact C-N 3.31Å; W25-V27 PolarHBondContact O-N 2.91Å
26S38.1Very low40Very low89 Ų89116.1 Ų116.162%0.62265%0.645SS**Hα-helixtrans-72.7-17.5173.516.30000114.7L22 D23L22-S26 PolarHBondContact O-N 2.89Å; L22-S26 PolarHBondContact O-OG 2.9Å; D23-S26 WeakPolarHBondContact CA-OG 3.16Å; D23-S26 PolarHBondContact O-N 3.36Å; D23-S26 PolarHBondContact O-OG 2.92Å
27V37.4Very low39.3Very low119 Ų119118.2 Ų118.272%0.72166%0.656SS**Hα-helixtrans-100-10.3-172.5176.80000113.4D23 W25D23-V27 WeakPolarHBondContact O-CG2 3.13Å; W25-V27 VanDerWaalsContact C-N 3.31Å; W25-V27 PolarHBondContact O-N 2.91Å
28S37.9Very low38.5Very low107 Ų107122.3 Ų122.375%0.74868%0.684SS**SBendtrans-101.523.9-168.2-63.90000116.8N24N24-S28 PolarHBondContact O-OG 3.18Å
29S37.6Very low37.9Very low109 Ų109122.3 Ų122.376%0.76270%0.703SS**  trans-129.372.5172.332.70000112.3
30G30.4Very low37.6Very low62 Ų62124.5 Ų124.564%0.63972%0.718SS**  trans-88140.9164.500000112
31N34.4Very low36.6Very low157 Ų157123.4 Ų123.484%0.8473%0.725SS**  -176.2125.6127.7-91.4-24.6000113.1
32L30.5Very low35.8Very low156 Ų156126.3 Ų126.382%0.81775%0.746SS**  trans82.595.9146.4-61.2159000120.6
33C28.9Very low34.9Very low125 Ų125130.1 Ų130.185%0.84577%0.766SS**  -158.1135.4111.9-112.90000111.5
34P31.8Very low34.2Very low119 Ų119134.4 Ų134.477%0.77378%0.775SS**PPolyproline II helixtrans-81.6124.5-173.731.5-29.5000111.5
35S32.8Very low33.5Very low112 Ų112138 Ų13878%0.78379%0.788SS**PPolyproline II helixtrans-65.8126.1169.3171.70000110.5
36K37.6Very low33.1Very low203 Ų203134.2 Ų134.288%0.88378%0.782SS**PPolyproline II helixtrans-82.9124164.8-84.7-175.8176.2178.90108.9
37N33.6Very low32.5Very low151 Ų151135.3 Ų135.381%0.80779%0.788SS**  trans-39.1126.2173.6-63.6-28000113.9
38D36.9Very low32Very low171 Ų171138.4 Ų138.491%0.91479%0.789SS**  trans-143.6128.6133.1-116.9-20.3000110.2
39G30.9Very low31.8Very low76 Ų76138.8 Ų138.878%0.78479%0.788SS**  trans-83.2121.4-165.800000112.7
40S38.3Very low31.6Very low105 Ų105137.3 Ų137.373%0.73478%0.775SS**  trans-173.2110.4142.555.80000110.2
41N29Very low31.8Very low156 Ų156138 Ų13883%0.83477%0.767SS**  trans24.3104.6143.8-60-19000117.2
42T33.6Very low31.8Very low119 Ų119136.7 Ų136.773%0.7376%0.759SS**  179.2134.9124.826.30000108.7R44T42-R44 PolarHBondContact O-N 2.99Å
43L27Very low31.9Very low187 Ų187130.9 Ų130.998%0.97974%0.737SS**  trans-60.685.7168.7-73.3157.4000108.7
44R27.7Very low32.4Very low187 Ų187128.3 Ų128.371%0.70672%0.715SS**  trans-102.1102.4164.1-80.8-171-177.1-125.71.7106.9T42 I46T42-R44 PolarHBondContact O-N 2.99Å; R44-I46 PolarHBondContact O-N 3.45Å
45E30.4Very low32.7Very low180 Ų180126.9 Ų126.984%0.84170%0.699SS**  trans-47.9121.1165.1-73.2175.3153.100109.1C47E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 2.85Å
46I29.3Very low33Very low129 Ų129125.1 Ų125.166%0.66268%0.683SS**  trans-77.188.5-179.5-56172.9000106.9R44 Y48R44-I46 PolarHBondContact O-N 3.45Å; I46-Y48 HydrophobicContact CB-CE2 4.34Å; I46-Y48 HydrophobicContact CG2-CD1 4.44Å; I46-Y48 HydrophobicContact CG2-CD2 3.78Å; I46-Y48 HydrophobicContact CG2-CE1 3.93Å; I46-Y48 HydrophobicContact CG2-CE2 3.2Å; I46-Y48 HydrophobicContact CG2-CG 4.37Å
47C27.5Very low33.2Very low112 Ų112120.5 Ų120.576%0.75767%0.668SS**  trans-88103.9168.6-77.60000109.3E45E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 2.85Å
48Y26.7Very low33.6Very low184 Ų184119.7 Ų119.772%0.72266%0.66SS**  trans-77.5128.4170.9-65.8-78000110.2I46 V50I46-Y48 HydrophobicContact CB-CE2 4.34Å; I46-Y48 HydrophobicContact CG2-CD1 4.44Å; I46-Y48 HydrophobicContact CG2-CD2 3.78Å; I46-Y48 HydrophobicContact CG2-CE1 3.93Å; I46-Y48 HydrophobicContact CG2-CE2 3.2Å; I46-Y48 HydrophobicContact CG2-CG 4.37Å; Y48-V50 PolarHBondContact O-N 3.05Å
49P33.9Very low33.7Very low114 Ų114116.8 Ų116.874%0.7464%0.639SS**  trans-74.694.9171.130.4-31.4000108.9T51P49-T51 PolarHBondContact O-N 3.11Å
50V33Very low34.1Very low79 Ų79116.6 Ų116.648%0.47963%0.625SS.*  trans-78108.9165.6-174.20000106.9Y48 D54 M55Y48-V50 PolarHBondContact O-N 3.05Å; V50-D54 HydrophobicContact CG1-CB 3.94Å; V50-M55 HydrophobicContact CB-CE 4.03Å; V50-M55 HydrophobicContact CG1-CE 3.76Å; V50-M55 HydrophobicContact CG1-CG 3.47Å; V50-M55 VanDerWaalsContact CG1-CG 3.47Å
51T34.7Very low34.3Very low77 Ų77117.5 Ų117.547%0.47262%0.62SS.*  trans-72.4150.8173.668.60000109.2P49 G53 D54 M55P49-T51 PolarHBondContact O-N 3.11Å; T51-G53 PolarHBondContact O-N 3.37Å; T51-D54 WeakPolarHBondContact CB-OD2 3.26Å; T51-D54 PolarHBondContact N-OD2 2.92Å; T51-D54 VanDerWaalsContact N-OD2 3.08Å; T51-D54 WeakPolarHBondContact O-CA 3.28Å; T51-D54 WeakPolarHBondContact O-CB 3.31Å; T51-D54 PolarHBondContact O-N 3.45Å; T51-D54 PolarHBondContact OG1-N 3.49Å; T51-D54 PolarHBondContact OG1-OD2 2.89Å; T51-M55 PolarHBondContact O-N 2.87Å; T51-M55 VanDerWaalsContact O-N 3.13Å
52L34.4Very low34.9Very low129 Ų129114.3 Ų114.368%0.67561%0.606SS**Hα-helixtrans-55.1-26.7175.3-160.480.9000111.5M55 T56L52-M55 PolarHBondContact O-N 3.13Å; L52-T56 WeakPolarHBondContact O-CG2 3.3Å; L52-T56 PolarHBondContact O-N 3.47Å; L52-T56 PolarHBondContact O-OG1 3.13Å; L52-T56 VanDerWaalsContact O-OG1 3.05Å
53G32.8Very low35.3Very low34 Ų34110.3 Ų110.335%0.35158%0.578SS.*Hα-helixtrans-63.3-38.5171.500000113.7T51 T56 N57T51-G53 PolarHBondContact O-N 3.37Å; G53-T56 VanDerWaalsContact CA-OG1 3.31Å; G53-T56 WeakPolarHBondContact CA-OG1 3.48Å; G53-T56 PolarHBondContact O-N 3.02Å; G53-T56 PolarHBondContact O-OG1 3.32Å; G53-N57 PolarHBondContact O-N 3.36Å; G53-N57 VanDerWaalsContact O-N 3.11Å; G53-N57 PolarHBondContact O-ND2 3.08Å
54D38.7Very low36.2Very low71 Ų71108 Ų10838%0.3857%0.567SS.*Hα-helixtrans-73-36.8176.6-56.8-44.6000111.4V50 T51 N57 Q58V50-D54 HydrophobicContact CG1-CB 3.94Å; T51-D54 WeakPolarHBondContact CB-OD2 3.26Å; T51-D54 PolarHBondContact N-OD2 2.92Å; T51-D54 VanDerWaalsContact N-OD2 3.08Å; T51-D54 WeakPolarHBondContact O-CA 3.28Å; T51-D54 WeakPolarHBondContact O-CB 3.31Å; T51-D54 PolarHBondContact O-N 3.45Å; T51-D54 PolarHBondContact OG1-N 3.49Å; T51-D54 PolarHBondContact OG1-OD2 2.89Å; D54-N57 PolarHBondContact O-N 3.17Å; D54-Q58 PolarHBondContact O-N 3.47Å
55M36.9Very low37.3Very low89 Ų89109 Ų10944%0.43857%0.572SS.*Hα-helixtrans-65.3-43.9172-66.1-159.6-177.600111.2V50 T51 L52 N57 Q58 F59V50-M55 HydrophobicContact CB-CE 4.03Å; V50-M55 HydrophobicContact CG1-CE 3.76Å; V50-M55 HydrophobicContact CG1-CG 3.47Å; V50-M55 VanDerWaalsContact CG1-CG 3.47Å; T51-M55 PolarHBondContact O-N 2.87Å; T51-M55 VanDerWaalsContact O-N 3.13Å; L52-M55 PolarHBondContact O-N 3.13Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.3Å; M55-Q58 PolarHBondContact O-N 3.02Å; M55-F59 HydrophobicContact CB-CD2 4.48Å; M55-F59 VanDerWaalsContact O-CB 3.28Å; M55-F59 WeakPolarHBondContact O-CB 3.28Å; M55-F59 VanDerWaalsContact O-CD2 3.26Å; M55-F59 WeakPolarHBondContact O-CD2 3.26Å; M55-F59 PolarHBondContact O-N 3.34Å
56T40.4Very low38Very low75 Ų75104.2 Ų104.246%0.4655%0.552SS.*Hα-helixtrans-63-36.617845.40000112.5L52 G53 C60L52-T56 WeakPolarHBondContact O-CG2 3.3Å; L52-T56 PolarHBondContact O-N 3.47Å; L52-T56 PolarHBondContact O-OG1 3.13Å; L52-T56 VanDerWaalsContact O-OG1 3.05Å; G53-T56 VanDerWaalsContact CA-OG1 3.31Å; G53-T56 WeakPolarHBondContact CA-OG1 3.48Å; G53-T56 PolarHBondContact O-N 3.02Å; G53-T56 PolarHBondContact O-OG1 3.32Å; T56-C60 WeakPolarHBondContact O-CB 3.38Å; T56-C60 PolarHBondContact O-N 3.31Å; T56-C60 PolarHBondContact O-SG 3.31Å
57N40.7Very low38.8Very low105 Ų105104.3 Ų104.356%0.56155%0.554SS**Hα-helixtrans-74-36.9178.3-76.3-22.3000113.1G53 D54 M55 C60 I61G53-N57 PolarHBondContact O-N 3.36Å; G53-N57 VanDerWaalsContact O-N 3.11Å; G53-N57 PolarHBondContact O-ND2 3.08Å; D54-N57 PolarHBondContact O-N 3.17Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.3Å; N57-C60 PolarHBondContact O-N 3.47Å; N57-I61 WeakPolarHBondContact O-CG1 3.48Å; N57-I61 PolarHBondContact O-N 2.95Å
58Q42.7Very low39.9Very low135 Ų135107.3 Ų107.363%0.63156%0.557SS**Hα-helixtrans-71.4-37.5174.3-76.7-176.32.400112.3D54 M55 C60 I61 V62D54-Q58 PolarHBondContact O-N 3.47Å; M55-Q58 PolarHBondContact O-N 3.02Å; Q58-C60 VanDerWaalsContact C-N 3.35Å; Q58-I61 PolarHBondContact O-N 3.4Å; Q58-V62 PolarHBondContact O-N 2.8Å
59F38.6Very low40.8Very low109 Ų109104.8 Ų104.848%0.47856%0.556SS.*Hα-helixtrans-64.1-40.3172.5-92.6-83.1000110.9M55 I61 V62 F63M55-F59 HydrophobicContact CB-CD2 4.48Å; M55-F59 VanDerWaalsContact O-CB 3.28Å; M55-F59 WeakPolarHBondContact O-CB 3.28Å; M55-F59 VanDerWaalsContact O-CD2 3.26Å; M55-F59 WeakPolarHBondContact O-CD2 3.26Å; M55-F59 PolarHBondContact O-N 3.34Å; F59-I61 PolarHBondContact O-N 2.95Å; F59-V62 PolarHBondContact O-N 3.06Å; F59-V62 VanDerWaalsContact O-N 3.12Å; F59-F63 HydrophobicContact CB-CD2 4.11Å; F59-F63 HydrophobicContact CB-CE2 3.52Å; F59-F63 HydrophobicContact CB-CZ 4.14Å; F59-F63 HydrophobicContact CD1-CE2 4.15Å; F59-F63 AromaticContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CG-CE2 4.3Å; F59-F63 HydrophobicContact CG-CZ 4.46Å; F59-F63 WeakPolarHBondContact O-CB 3.36Å; F59-F63 WeakPolarHBondContact O-CD2 3.12Å; F59-F63 WeakPolarHBondContact O-CG 3.24Å; F59-F63 PolarHBondContact O-N 3.24Å
60C39.4Very low41.5Very low72 Ų72102.2 Ų102.249%0.48654%0.538SS..Hα-helixtrans-57.1-29.4172-77.80000114.8T56 N57 Q58T56-C60 WeakPolarHBondContact O-CB 3.38Å; T56-C60 PolarHBondContact O-N 3.31Å; T56-C60 PolarHBondContact O-SG 3.31Å; N57-C60 PolarHBondContact O-N 3.47Å; Q58-C60 VanDerWaalsContact C-N 3.35Å
61I41.9Very low42Very low124 Ų124101.4 Ų101.464%0.63653%0.53SS*.Hα-helixtrans-78.3-34.5177.5-65165.7000111.2N57 Q58 F59N57-I61 WeakPolarHBondContact O-CG1 3.48Å; N57-I61 PolarHBondContact O-N 2.95Å; Q58-I61 PolarHBondContact O-N 3.4Å; F59-I61 PolarHBondContact O-N 2.95Å
62V42.9Very low42.6Very low89 Ų89103.1 Ų103.154%0.53954%0.536SS..Hα-helixtrans-76.5-27.5175.6-177.80000111.6Q58 F59 N64 Y65Q58-V62 PolarHBondContact O-N 2.8Å; F59-V62 PolarHBondContact O-N 3.06Å; F59-V62 VanDerWaalsContact O-N 3.12Å; V62-N64 PolarHBondContact O-N 3.26Å; V62-Y65 PolarHBondContact O-N 3.08Å
63F42.3Very low43.1Very low35 Ų35100.8 Ų100.815%0.15453%0.527CS..G310 helixtrans-65.1-15.5-179.3-77.5-50.2000115.1F59 Y65 M71 V74 I78F59-F63 HydrophobicContact CB-CD2 4.11Å; F59-F63 HydrophobicContact CB-CE2 3.52Å; F59-F63 HydrophobicContact CB-CZ 4.14Å; F59-F63 HydrophobicContact CD1-CE2 4.15Å; F59-F63 AromaticContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CG-CE2 4.3Å; F59-F63 HydrophobicContact CG-CZ 4.46Å; F59-F63 WeakPolarHBondContact O-CB 3.36Å; F59-F63 WeakPolarHBondContact O-CD2 3.12Å; F59-F63 WeakPolarHBondContact O-CG 3.24Å; F59-F63 PolarHBondContact O-N 3.24Å; F63-Y65 VanDerWaalsContact C-N 3.28Å; F63-Y65 PolarHBondContact O-N 2.65Å; F63-M71 HydrophobicContact CB-CE 4.03Å; F63-M71 HydrophobicContact CB-SD 4.43Å; F63-M71 HydrophobicContact CD1-CE 4.37Å; F63-M71 HydrophobicContact CD1-SD 3.66Å; F63-M71 HydrophobicContact CE1-SD 4.33Å; F63-M71 HydrophobicContact CG-CE 4.5Å; F63-M71 HydrophobicContact CG-SD 4.32Å; F63-M71 VanDerWaalsContact O-CE 3.31Å; F63-M71 WeakPolarHBondContact O-CE 3.43Å; F63-V74 HydrophobicContact CE1-CB 4.31Å; F63-V74 HydrophobicContact CE1-CG1 3.67Å; F63-V74 HydrophobicContact CZ-CG1 3.82Å; F63-I78 HydrophobicContact CZ-CD1 4.09Å
64N45.3Very low43.6Very low138 Ų138101 Ų10174%0.73852%0.522SS*.G310 helixtrans-77.8-7.1177.2-75.4-31.8000114.5V62V62-N64 PolarHBondContact O-N 3.26Å
65Y51.4Low44.1Very low208 Ų208101.4 Ų101.482%0.81652%0.524SS*.G310 helixtrans-114.79.1-175.5-79.5-81.4000114.8V62 F63V62-Y65 PolarHBondContact O-N 3.08Å; F63-Y65 VanDerWaalsContact C-N 3.28Å; F63-Y65 PolarHBondContact O-N 2.65Å
66L44.3Very low44.4Very low81 Ų81101 Ų10142%0.42452%0.522SS..SBendtrans-117131.1-174.9-72.9169.3000111.4
67N47.2Very low44.5Very low131 Ų131101.9 Ų101.970%0.70152%0.523SS*.  trans-54154.7177.8-70.8-16.6000112.7D69 T70 M71N67-D69 PolarHBondContact O-N 3.41Å; N67-T70 PolarHBondContact N-OG1 2.84Å; N67-T70 PolarHBondContact O-N 3.04Å; N67-T70 PolarHBondContact O-OG1 3.35Å; N67-M71 PolarHBondContact O-N 3.47Å
68E50.1Low44.7Very low174 Ų174101.3 Ų101.381%0.81352%0.519SS*.Hα-helixtrans-53.4-30.4-179.9-76-179.3147.400114M71 N72E68-M71 WeakPolarHBondContact O-CB 3.4Å; E68-M71 PolarHBondContact O-N 3.08Å; E68-N72 PolarHBondContact O-N 2.8Å
69D45.2Very low44.8Very low132 Ų13299.6 Ų99.671%0.70652%0.522SS*.Hα-helixtrans-72-35.3179.3-69.2-31.1000113.3N67N67-D69 PolarHBondContact O-N 3.41Å
70T48.6Very low45Very low60 Ų60101.4 Ų101.437%0.36853%0.53SS..Hα-helixtrans-75.6-28175.7400000111.6N67 N72 V73 V74N67-T70 PolarHBondContact N-OG1 2.84Å; N67-T70 PolarHBondContact O-N 3.04Å; N67-T70 PolarHBondContact O-OG1 3.35Å; T70-N72 VanDerWaalsContact C-N 3.31Å; T70-N72 PolarHBondContact O-N 3.4Å; T70-V73 PolarHBondContact O-N 3.44Å; T70-V74 WeakPolarHBondContact O-CG2 3.43Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.1Å
71M43.9Very low44.8Very low61 Ų61104.6 Ų104.630%0.353%0.532SS..Hα-helixtrans-59.5-39.3173.2-74.4-71.6-135.900112.3F63 N67 E68 N75F63-M71 HydrophobicContact CB-CE 4.03Å; F63-M71 HydrophobicContact CB-SD 4.43Å; F63-M71 HydrophobicContact CD1-CE 4.37Å; F63-M71 HydrophobicContact CD1-SD 3.66Å; F63-M71 HydrophobicContact CE1-SD 4.33Å; F63-M71 HydrophobicContact CG-CE 4.5Å; F63-M71 HydrophobicContact CG-SD 4.32Å; F63-M71 VanDerWaalsContact O-CE 3.31Å; F63-M71 WeakPolarHBondContact O-CE 3.43Å; N67-M71 PolarHBondContact O-N 3.47Å; E68-M71 WeakPolarHBondContact O-CB 3.4Å; E68-M71 PolarHBondContact O-N 3.08Å; M71-N75 WeakPolarHBondContact O-CB 3.46Å; M71-N75 PolarHBondContact O-N 3.1Å; M71-N75 PolarHBondContact O-ND2 3.3Å
72N47.6Very low44.3Very low114 Ų114105.4 Ų105.461%0.6153%0.531SS*.Hα-helixtrans-68.6-38.5178.6-85.1-30.5000112.8E68 T70 M76E68-N72 PolarHBondContact O-N 2.8Å; T70-N72 VanDerWaalsContact C-N 3.31Å; T70-N72 PolarHBondContact O-N 3.4Å; N72-M76 WeakPolarHBondContact O-CB 3.45Å; N72-M76 PolarHBondContact O-N 2.82Å
73V43.2Very low43.8Very low79 Ų79107.3 Ų107.348%0.47953%0.529SS..Hα-helixtrans-69.5-42179.5-179.30000111T70 M76 L77T70-V73 PolarHBondContact O-N 3.44Å; V73-M76 PolarHBondContact O-N 3.12Å; V73-L77 HydrophobicContact CG1-CD1 4.09Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.05Å
74V44.4Very low43.2Very low39 Ų39109.6 Ų109.624%0.23655%0.546CS..Hα-helixtrans-71.8-42.5179179.60000111.2F63 T70 M76 L77 I78F63-V74 HydrophobicContact CE1-CB 4.31Å; F63-V74 HydrophobicContact CE1-CG1 3.67Å; F63-V74 HydrophobicContact CZ-CG1 3.82Å; T70-V74 WeakPolarHBondContact O-CG2 3.43Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.1Å; V74-M76 VanDerWaalsContact C-N 3.25Å; V74-M76 PolarHBondContact O-N 2.74Å; V74-L77 PolarHBondContact O-N 3.05Å; V74-L77 VanDerWaalsContact O-N 3.13Å; V74-I78 HydrophobicContact CG1-CD1 3.65Å; V74-I78 HydrophobicContact CG1-CG1 4.27Å; V74-I78 WeakPolarHBondContact O-CB 3.36Å; V74-I78 VanDerWaalsContact O-CG1 3.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.38Å; V74-I78 PolarHBondContact O-N 2.95Å
75N48.8Very low42.3Very low80 Ų80110.2 Ų110.243%0.42854%0.543SS..Hα-helixtrans-62-33.5172.2-79.3-31.6000112.3M71 S79M71-N75 WeakPolarHBondContact O-CB 3.46Å; M71-N75 PolarHBondContact O-N 3.1Å; M71-N75 PolarHBondContact O-ND2 3.3Å; N75-S79 WeakPolarHBondContact O-CB 2.98Å; N75-S79 PolarHBondContact O-N 3.19Å; N75-S79 PolarHBondContact O-OG 3.39Å
76M44.4Very low41.2Very low80 Ų80103.6 Ų103.639%0.39453%0.526SS..Hα-helixtrans-69.1-38.9173.6-169.3-175.873.500112N72 V73 V74 K80N72-M76 WeakPolarHBondContact O-CB 3.45Å; N72-M76 PolarHBondContact O-N 2.82Å; V73-M76 PolarHBondContact O-N 3.12Å; V74-M76 VanDerWaalsContact C-N 3.25Å; V74-M76 PolarHBondContact O-N 2.74Å; M76-K80 HydrophobicContact CG-CD 3.89Å; M76-K80 HydrophobicContact CG-CG 4.48Å; M76-K80 VanDerWaalsContact O-CB 3.24Å; M76-K80 WeakPolarHBondContact O-CB 3.34Å; M76-K80 WeakPolarHBondContact O-CG 3.3Å; M76-K80 PolarHBondContact O-N 3.38Å; M76-K80 VanDerWaalsContact O-N 3.13Å
77L41.1Very low40.6Very low93 Ų93102.7 Ų102.749%0.48753%0.525SS..Hα-helixtrans-70.2-37.1176.7-74.7164.8000112.3V73 V74 R81V73-L77 HydrophobicContact CG1-CD1 4.09Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.05Å; V74-L77 PolarHBondContact O-N 3.05Å; V74-L77 VanDerWaalsContact O-N 3.13Å; L77-R81 PolarHBondContact O-N 3.15Å
78I46Very low40Very low94 Ų94101.9 Ų101.948%0.48253%0.528SS..Hα-helixtrans-73.1-42.6176.8-65.3168.6000110.9F63 V74 K80F63-I78 HydrophobicContact CZ-CD1 4.09Å; V74-I78 HydrophobicContact CG1-CD1 3.65Å; V74-I78 HydrophobicContact CG1-CG1 4.27Å; V74-I78 WeakPolarHBondContact O-CB 3.36Å; V74-I78 VanDerWaalsContact O-CG1 3.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.38Å; V74-I78 PolarHBondContact O-N 2.95Å; I78-K80 PolarHBondContact O-N 2.97Å
79S44.6Very low39.2Very low99 Ų9997.1 Ų97.169%0.69252%0.518SS*.Hα-helixtrans-75-21.5-178.6-63.90000114N75N75-S79 WeakPolarHBondContact O-CB 2.98Å; N75-S79 PolarHBondContact O-N 3.19Å; N75-S79 PolarHBondContact O-OG 3.39Å
80K42.6Very low38.6Very low146 Ų14699.9 Ų99.964%0.63552%0.524SS*.Hα-helixtrans-104.2-8.4-177.2-67.2-174.2178.3176.20114.9M76 I78 F82M76-K80 HydrophobicContact CG-CD 3.89Å; M76-K80 HydrophobicContact CG-CG 4.48Å; M76-K80 VanDerWaalsContact O-CB 3.24Å; M76-K80 WeakPolarHBondContact O-CB 3.34Å; M76-K80 WeakPolarHBondContact O-CG 3.3Å; M76-K80 PolarHBondContact O-N 3.38Å; M76-K80 VanDerWaalsContact O-N 3.13Å; I78-K80 PolarHBondContact O-N 2.97Å; K80-F82 PolarHBondContact O-N 3.02Å
81R34.6Very low37.8Very low140 Ų14099.7 Ų99.753%0.52853%0.534SS..  trans-86.797.5170-79.6-167.3168.9156-10.8110.1L77 Y83L77-R81 PolarHBondContact O-N 3.15Å; R81-Y83 HydrophobicContact CB-CD2 3.47Å; R81-Y83 VanDerWaalsContact CB-CD2 3.47Å; R81-Y83 HydrophobicContact CB-CE2 3.26Å; R81-Y83 HydrophobicContact CB-CG 4.25Å; R81-Y83 WeakPolarHBondContact CD-OH 3.39Å; R81-Y83 HydrophobicContact CG-CE2 3.95Å; R81-Y83 PolarHBondContact NH1-OH 3.46Å; R81-Y83 WeakPolarHBondContact O-CD2 3.32Å; R81-Y83 PolarHBondContact O-N 3.38Å
82F31.2Very low37.3Very low140 Ų140104.3 Ų104.361%0.61456%0.558SS**  trans-62.781.7156.7-72.9-88.8000108.7K80 T84K80-F82 PolarHBondContact O-N 3.02Å; F82-T84 PolarHBondContact O-N 3.2Å
83Y33.5Very low36.8Very low130 Ų130104.5 Ų104.551%0.5156%0.563SS.*  trans-77.7103.2167.5-70-78.5000108.6R81 F85R81-Y83 HydrophobicContact CB-CD2 3.47Å; R81-Y83 VanDerWaalsContact CB-CD2 3.47Å; R81-Y83 HydrophobicContact CB-CE2 3.26Å; R81-Y83 HydrophobicContact CB-CG 4.25Å; R81-Y83 WeakPolarHBondContact CD-OH 3.39Å; R81-Y83 HydrophobicContact CG-CE2 3.95Å; R81-Y83 PolarHBondContact NH1-OH 3.46Å; R81-Y83 WeakPolarHBondContact O-CD2 3.32Å; R81-Y83 PolarHBondContact O-N 3.38Å; Y83-F85 VanDerWaalsContact C-N 3.29Å; Y83-F85 HydrophobicContact CD1-CD2 4.47Å; Y83-F85 AromaticContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CZ 4.14Å; Y83-F85 HydrophobicContact CD2-CE2 4.5Å; Y83-F85 HydrophobicContact CE1-CE2 4.4Å; Y83-F85 HydrophobicContact CG-CD2 4.24Å; Y83-F85 AromaticContact CG-CE2 3.69Å; Y83-F85 HydrophobicContact CG-CE2 3.69Å; Y83-F85 PolarHBondContact O-N 2.9Å; Y83-F85 VanDerWaalsContact O-N 3.12Å
84T28.5Very low36.5Very low83 Ų83109.5 Ų109.551%0.50958%0.578SS.*  trans-75.387.8160.349.10000107.7F82 T117F82-T84 PolarHBondContact O-N 3.2Å; T84-T117 HydrophobicContact CG2-CG2 3.98Å
85F26.9Very low36.1Very low151 Ų151116.2 Ų116.266%0.66260%0.6SS**  trans-86.2108164.7-80.1-78.2000108.3Y83 P87Y83-F85 VanDerWaalsContact C-N 3.29Å; Y83-F85 HydrophobicContact CD1-CD2 4.47Å; Y83-F85 AromaticContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CZ 4.14Å; Y83-F85 HydrophobicContact CD2-CE2 4.5Å; Y83-F85 HydrophobicContact CE1-CE2 4.4Å; Y83-F85 HydrophobicContact CG-CD2 4.24Å; Y83-F85 AromaticContact CG-CE2 3.69Å; Y83-F85 HydrophobicContact CG-CE2 3.69Å; Y83-F85 PolarHBondContact O-N 2.9Å; Y83-F85 VanDerWaalsContact O-N 3.12Å; F85-P87 WeakPolarHBondContact O-CD 3.36Å
86S27.9Very low35.5Very low68 Ų68118.2 Ų118.248%0.47662%0.617SS.*PPolyproline II helixtrans-64.9121.9153250000107.1
87P31.5Very low35.5Very low62 Ų62116.7 Ų116.740%0.40362%0.621SS.*PPolyproline II helixtrans-53137.6168.1-20.229.1000109.1F85 A89F85-P87 WeakPolarHBondContact O-CD 3.36Å; P87-A89 PolarHBondContact O-N 3.44Å
88P34.8Very low35.5Very low115 Ų115115.7 Ų115.775%0.74762%0.617SS**PPolyproline II helixtrans-57.1118.3175.19.9-11.2000108.4F90P88-F90 PolarHBondContact O-N 3.3Å; P88-F90 VanDerWaalsContact O-N 3.11Å
89A34.7Very low35.2Very low74 Ų74118.4 Ų118.461%0.61263%0.632SS**SBendtrans-69.66.6170.200000112.2P87P87-A89 PolarHBondContact O-N 3.44Å
90F31.1Very low34.8Very low190 Ų190119.1 Ų119.183%0.83362%0.623SS**  trans-135.772.1-173.8-56.5-71.8000109.2P88P88-F90 PolarHBondContact O-N 3.3Å; P88-F90 VanDerWaalsContact O-N 3.11Å
91G33.5Very low34.5Very low56 Ų56119.5 Ų119.558%0.57762%0.621SS**  trans-105.1157.1162.300000109.8V93G91-V93 PolarHBondContact O-N 3.49Å; G91-V93 VanDerWaalsContact O-N 3.12Å
92I33.7Very low34.2Very low157 Ų157117.7 Ų117.781%0.80563%0.628SS**SBendtrans-64.1-17.9179.6-50.5167.7000111.5K94I92-K94 PolarHBondContact O-N 2.9Å
93V36Very low34.2Very low119 Ų119119.1 Ų119.172%0.72163%0.629SS**SBendtrans-88.1103-179.7-173.60000109.3G91 R95G91-V93 PolarHBondContact O-N 3.49Å; G91-V93 VanDerWaalsContact O-N 3.12Å; V93-R95 PolarHBondContact O-N 3.14Å
94K37.2Very low34.2Very low183 Ų183117 Ų11780%0.79662%0.624SS**PPolyproline II helixtrans-59.9121.5168.3-73.2-172175-170.40109.5I92 D98I92-K94 PolarHBondContact O-N 2.9Å; K94-D98 VanDerWaalsContact CA-OD2 3.26Å; K94-D98 WeakPolarHBondContact CA-OD2 3.36Å
95R36.7Very low34.3Very low181 Ų181116.2 Ų116.268%0.68362%0.621SS**PPolyproline II helixtrans-88.6143.1169.3-63.2-172.8-173.2-156.21.3109.1V93 G97 D98V93-R95 PolarHBondContact O-N 3.14Å; R95-G97 PolarHBondContact O-N 2.89Å; R95-G97 VanDerWaalsContact O-N 3.11Å; R95-D98 PolarHBondContact N-OD2 2.92Å; R95-D98 WeakPolarHBondContact O-CB 3.42Å; R95-D98 PolarHBondContact O-N 3.32Å
96P35.8Very low34.4Very low122 Ų122112.6 Ų112.679%0.79261%0.612SS**THydrogen-bonded Turntrans-54.7120.2166.2-1930.3000108.7
97G42.8Very low34.5Very low47 Ų47114 Ų11449%0.48561%0.613SS.*THydrogen-bonded Turntrans110.9-4.1-170.900000115.4R95 D99 F100R95-G97 PolarHBondContact O-N 2.89Å; R95-G97 VanDerWaalsContact O-N 3.11Å; G97-D99 PolarHBondContact O-N 2.95Å; G97-D99 VanDerWaalsContact O-N 3.12Å; G97-F100 WeakPolarHBondContact O-CD2 3.37Å; G97-F100 WeakPolarHBondContact O-CE2 3.17Å; G97-F100 VanDerWaalsContact O-CZ 3.29Å; G97-F100 WeakPolarHBondContact O-CZ 3.45Å
98D41.2Very low34.6Very low73 Ų73113.2 Ų113.239%0.3961%0.612SS.*  trans-71.97.1174.4-76.8-12.5000114.4K94 R95 F100K94-D98 VanDerWaalsContact CA-OD2 3.26Å; K94-D98 WeakPolarHBondContact CA-OD2 3.36Å; R95-D98 PolarHBondContact N-OD2 2.92Å; R95-D98 WeakPolarHBondContact O-CB 3.42Å; R95-D98 PolarHBondContact O-N 3.32Å; D98-F100 PolarHBondContact O-N 3.49Å
99D40.6Very low34.5Very low151 Ų151116 Ų11681%0.80762%0.615SS**  trans-80.449.4170.8-64.9-31.2000111.2G97 Y101G97-D99 PolarHBondContact O-N 2.95Å; G97-D99 VanDerWaalsContact O-N 3.12Å; D99-Y101 PolarHBondContact O-N 3.45Å
100F37Very low34.3Very low114 Ų114120.8 Ų120.850%0.563%0.625SS.*  trans-74.9124.6173.8-65.4-73000109.6G97 D98 Q104G97-F100 WeakPolarHBondContact O-CD2 3.37Å; G97-F100 WeakPolarHBondContact O-CE2 3.17Å; G97-F100 VanDerWaalsContact O-CZ 3.29Å; G97-F100 WeakPolarHBondContact O-CZ 3.45Å; D98-F100 PolarHBondContact O-N 3.49Å; F100-Q104 HydrophobicContact CD1-CB 4.4Å
101Y34.8Very low34.4Very low153 Ų153112.5 Ų112.560%0.659%0.591SS**  trans-65.2142.9167.7-72.7-82.5000109.2D99 W103 Q104D99-Y101 PolarHBondContact O-N 3.45Å; Y101-W103 VanDerWaalsContact CB-CD1 3.44Å; Y101-W103 AromaticContact CG-NE1 3.72Å; Y101-W103 PolarHBondContact O-N 3.3Å; Y101-Q104 WeakPolarHBondContact O-CB 3.04Å; Y101-Q104 PolarHBondContact O-N 2.93Å
102P29.7Very low34.5Very low103 Ų103114 Ų11467%0.66959%0.591SS**Hα-helixtrans-48.8-35.5-177.5-30.634.6000114.4Q104 C105 V106P102-Q104 VanDerWaalsContact C-N 3.28Å; P102-Q104 PolarHBondContact O-N 3.28Å; P102-C105 PolarHBondContact O-N 3.13Å; P102-C105 VanDerWaalsContact O-N 3.15Å; P102-V106 WeakPolarHBondContact O-CG2 3.39Å; P102-V106 PolarHBondContact O-N 3.27Å; P102-V106 VanDerWaalsContact O-N 3.16Å
103W31.3Very low34.8Very low169 Ų169112.4 Ų112.464%0.6459%0.588SS**Hα-helixtrans-67.6-22.3178.166.4-95.4000114.3Y101 C105Y101-W103 VanDerWaalsContact CB-CD1 3.44Å; Y101-W103 AromaticContact CG-NE1 3.72Å; Y101-W103 PolarHBondContact O-N 3.3Å; W103-C105 VanDerWaalsContact C-N 3.33Å
104Q33.2Very low34.8Very low85 Ų85110.4 Ų110.440%0.39757%0.572SS.*Hα-helixtrans-76.4-22.5174.9-62.9175.8-56.700111.9F100 Y101 P102F100-Q104 HydrophobicContact CD1-CB 4.4Å; Y101-Q104 WeakPolarHBondContact O-CB 3.04Å; Y101-Q104 PolarHBondContact O-N 2.93Å; P102-Q104 VanDerWaalsContact C-N 3.28Å; P102-Q104 PolarHBondContact O-N 3.28Å
105C30.5Very low34.6Very low67 Ų67102.6 Ų102.645%0.45354%0.542SS..Hα-helixtrans-90.1-24.5174.2-61.60000112.8P102 W103 L107 A108P102-C105 PolarHBondContact O-N 3.13Å; P102-C105 VanDerWaalsContact O-N 3.15Å; W103-C105 VanDerWaalsContact C-N 3.33Å; C105-L107 VanDerWaalsContact C-N 3.28Å; C105-L107 PolarHBondContact O-N 3.32Å; C105-A108 WeakPolarHBondContact O-CB 3.37Å; C105-A108 PolarHBondContact O-N 3.33Å
106V29Very low34.5Very low76 Ų7696.1 Ų96.146%0.46152%0.522SS..Hα-helixtrans-65-27.6-177168.80000113.1P102 A108P102-V106 WeakPolarHBondContact O-CG2 3.39Å; P102-V106 PolarHBondContact O-N 3.27Å; P102-V106 VanDerWaalsContact O-N 3.16Å; V106-A108 PolarHBondContact O-N 2.78Å
107L30.4Very low34.6Very low96 Ų9692.9 Ų92.950%0.50350%0.5SS..Hα-helixtrans-70.1-10.6173.9-68.2173000113.6C105 A111 Y119C105-L107 VanDerWaalsContact C-N 3.28Å; C105-L107 PolarHBondContact O-N 3.32Å; L107-A111 WeakPolarHBondContact O-CB 3.26Å; L107-Y119 HydrophobicContact CB-CD1 4.15Å; L107-Y119 HydrophobicContact CB-CE1 4.21Å
108A32.5Very low34.2Very low46 Ų4692.7 Ų92.738%0.3849%0.489SS..Hα-helixtrans-93.5-24.2179.700000113.8C105 V106 T116C105-A108 WeakPolarHBondContact O-CB 3.37Å; C105-A108 PolarHBondContact O-N 3.33Å; V106-A108 PolarHBondContact O-N 2.78Å; A108-T116 WeakPolarHBondContact O-CG2 3.28Å
109E32Very low33.8Very low174 Ų17495.6 Ų95.681%0.81350%0.496SS*.Hα-helixtrans-88.7-29.7-176.7-72.7-173.8160.700113.6A111E109-A111 VanDerWaalsContact C-N 3.33Å
110E32.3Very low33.7Very low175 Ų17594.9 Ų94.982%0.81848%0.482SS*.SBendtrans-88.8-2.6175.7-63.9-169.1164.500113.4
111A31.8Very low34Very low15 Ų1593.2 Ų93.212%0.12448%0.476CS..SBendtrans-78.3137-178.700000110.5L107 E109 A115 Y119L107-A111 WeakPolarHBondContact O-CB 3.26Å; E109-A111 VanDerWaalsContact C-N 3.33Å; A111-A115 HydrophobicContact CB-CB 3.73Å; A111-Y119 HydrophobicContact CB-CD2 3.99Å; A111-Y119 HydrophobicContact CB-CE2 3.72Å
112P35.5Very low34.1Very low89 Ų8990.3 Ų90.358%0.57848%0.483SS*.  trans-46.5146.8168.3-26.331.2000110.7M114 A115P112-M114 CarbonylContact O-C 3.56Å; P112-M114 PolarHBondContact O-N 2.97Å; P112-A115 HydrophobicContact CB-CB 4.33Å; P112-A115 HydrophobicContact CG-CB 4.35Å; P112-A115 WeakPolarHBondContact O-CA 3.5Å; P112-A115 WeakPolarHBondContact O-CB 3.4Å; P112-A115 PolarHBondContact O-N 3.49Å
113V39.9Very low34.8Very low122 Ų12288.4 Ų88.474%0.73947%0.47SS*.THydrogen-bonded Turntrans-50.4-17.4-173.2-1780000114.8T116V113-T116 PolarHBondContact O-OG1 3.27Å
114M36.1Very low35.1Very low78 Ų7885.8 Ų85.838%0.38447%0.468SS..THydrogen-bonded Turntrans-101.7-15.4173.3-56.4-155.2-48.100115.5P112 T116 T117 E207P112-M114 CarbonylContact O-C 3.56Å; P112-M114 PolarHBondContact O-N 2.97Å; M114-T116 VanDerWaalsContact C-N 3.31Å; M114-T117 PolarHBondContact O-N 3.06Å; M114-T117 PolarHBondContact O-OG1 3.47Å; M114-E207 WeakPolarHBondContact CE-OE2 3.41Å
115A33.3Very low35.4Very low19 Ų1987.1 Ų87.116%0.15747%0.473CS..G310 helixtrans-75.7-17.2175.700000113A111 P112 T117 V118 Y119A111-A115 HydrophobicContact CB-CB 3.73Å; P112-A115 HydrophobicContact CB-CB 4.33Å; P112-A115 HydrophobicContact CG-CB 4.35Å; P112-A115 WeakPolarHBondContact O-CA 3.5Å; P112-A115 WeakPolarHBondContact O-CB 3.4Å; P112-A115 PolarHBondContact O-N 3.49Å; A115-T117 PolarHBondContact O-N 3.48Å; A115-T117 VanDerWaalsContact O-N 3.12Å; A115-V118 WeakPolarHBondContact O-CB 3.39Å; A115-V118 PolarHBondContact O-N 2.98Å; A115-Y119 HydrophobicContact CB-CD2 4.45Å; A115-Y119 HydrophobicContact CB-CE2 4.18Å; A115-Y119 WeakPolarHBondContact O-CD2 3.13Å; A115-Y119 PolarHBondContact O-N 2.86Å; A115-Y119 VanDerWaalsContact O-N 3.14Å
116T36Very low35.9Very low44 Ų4487.3 Ų87.327%0.2748%0.479SS..G310 helixtrans-56.4-23.8167.751.90000113.4A108 V113 M114A108-T116 WeakPolarHBondContact O-CG2 3.28Å; V113-T116 PolarHBondContact O-OG1 3.27Å; M114-T116 VanDerWaalsContact C-N 3.31Å
117T36.5Very low36.5Very low55 Ų5588.7 Ų88.734%0.33748%0.484SS..G310 helixtrans-88.1-17.9173.163.20000113.9T84 M114 A115T84-T117 HydrophobicContact CG2-CG2 3.98Å; M114-T117 PolarHBondContact O-N 3.06Å; M114-T117 PolarHBondContact O-OG1 3.47Å; A115-T117 PolarHBondContact O-N 3.48Å; A115-T117 VanDerWaalsContact O-N 3.12Å
118V35.3Very low37Very low42 Ų4291.4 Ų91.426%0.25549%0.492SS..THydrogen-bonded Turntrans-89.9-31.7-174.9-179.20000111.1A115 R120 Q121A115-V118 WeakPolarHBondContact O-CB 3.39Å; A115-V118 PolarHBondContact O-N 2.98Å; V118-R120 PolarHBondContact O-N 3.16Å; V118-Q121 WeakPolarHBondContact O-CB 3.42Å; V118-Q121 WeakPolarHBondContact O-CG 3.36Å; V118-Q121 PolarHBondContact O-N 3.12Å; V118-Q121 VanDerWaalsContact O-N 3.07Å
119Y33.3Very low37.6Very low135 Ų13592.6 Ų92.653%0.52949%0.489SS..THydrogen-bonded Turntrans-70.7-7176.5-76.1-77.8000114.9L107 A111 A115 Q121L107-Y119 HydrophobicContact CB-CD1 4.15Å; L107-Y119 HydrophobicContact CB-CE1 4.21Å; A111-Y119 HydrophobicContact CB-CD2 3.99Å; A111-Y119 HydrophobicContact CB-CE2 3.72Å; A115-Y119 HydrophobicContact CB-CD2 4.45Å; A115-Y119 HydrophobicContact CB-CE2 4.18Å; A115-Y119 WeakPolarHBondContact O-CD2 3.13Å; A115-Y119 PolarHBondContact O-N 2.86Å; A115-Y119 VanDerWaalsContact O-N 3.14Å; Y119-Q121 VanDerWaalsContact C-N 3.33Å
120R37.9Very low37.9Very low136 Ų13687 Ų8751%0.51347%0.469SS..THydrogen-bonded Turntrans-83-4.8169-73.1-175.4174.4-164.9-0.4113.9V118 A122 V123V118-R120 PolarHBondContact O-N 3.16Å; R120-A122 VanDerWaalsContact C-N 3.28Å; R120-A122 PolarHBondContact O-N 3.15Å; R120-V123 PolarHBondContact O-N 3.16Å
121Q42.7Very low38.5Very low79 Ų7982.6 Ų82.637%0.36945%0.453SS..THydrogen-bonded Turntrans-75.6-5.5-169.4-72.2177-13.200115.6V118 Y119V118-Q121 WeakPolarHBondContact O-CB 3.42Å; V118-Q121 WeakPolarHBondContact O-CG 3.36Å; V118-Q121 PolarHBondContact O-N 3.12Å; V118-Q121 VanDerWaalsContact O-N 3.07Å; Y119-Q121 VanDerWaalsContact C-N 3.33Å
122A38.2Very low38.9Very low92 Ų9287.2 Ų87.276%0.7648%0.475SS*.THydrogen-bonded Turntrans-112.411.7177.300000113.6R120 D124R120-A122 VanDerWaalsContact C-N 3.28Å; R120-A122 PolarHBondContact O-N 3.15Å; A122-D124 PolarHBondContact O-N 3.45Å
123V42.7Very low39.6Very low63 Ų6385 Ų8538%0.38246%0.458SS..  trans-84.9112172.6-1670000108.3R120 D127 F128R120-V123 PolarHBondContact O-N 3.16Å; V123-D127 HydrophobicContact CG1-CB 3.61Å; V123-F128 HydrophobicContact CB-CD2 4.27Å; V123-F128 HydrophobicContact CB-CE2 3.61Å; V123-F128 HydrophobicContact CB-CZ 4.42Å; V123-F128 HydrophobicContact CG1-CD2 3.56Å; V123-F128 HydrophobicContact CG1-CE2 3.05Å; V123-F128 HydrophobicContact CG1-CZ 3.71Å; V123-F128 HydrophobicContact CG2-CE2 4.19Å
124D38.7Very low39.9Very low113 Ų11389.2 Ų89.260%0.60447%0.47SS*.  trans-64151.2-172.5-94.8-38.4000110.8A122 A126 D127A122-D124 PolarHBondContact O-N 3.45Å; D124-A126 HydrophobicContact CB-CB 4.3Å; D124-A126 PolarHBondContact O-N 3.35Å; D124-D127 PolarHBondContact N-OD2 3.29Å; D124-D127 WeakPolarHBondContact O-CB 3.32Å; D124-D127 PolarHBondContact O-N 3.02Å
125K38.9Very low41Very low114 Ų11489.3 Ų89.350%0.49648%0.478SS..Hα-helixtrans-52-26.2169.2-167.6-160.4-170164.90111.9D127 E129K125-D127 VanDerWaalsContact C-N 3.3Å; K125-E129 WeakPolarHBondContact CE-OE2 3.47Å
126A40.1Very low41.6Very low70 Ų7091.3 Ų91.358%0.57950%0.5SS*.Hα-helixtrans-68.4-27.2175.900000113.3D124D124-A126 HydrophobicContact CB-CB 4.3Å; D124-A126 PolarHBondContact O-N 3.35Å
127D42.3Very low42.3Very low106 Ų10695.8 Ų95.857%0.56752%0.516SS*.Hα-helixtrans-87-13-169.1-65.2-25.1000113.8V123 D124 K125V123-D127 HydrophobicContact CG1-CB 3.61Å; D124-D127 PolarHBondContact N-OD2 3.29Å; D124-D127 WeakPolarHBondContact O-CB 3.32Å; D124-D127 PolarHBondContact O-N 3.02Å; K125-D127 VanDerWaalsContact C-N 3.3Å
128F42Very low42.7Very low153 Ų15397.8 Ų97.867%0.67152%0.524SS*.Hα-helixtrans-123.4-9-178.5-71.9-60.8000115.8V123V123-F128 HydrophobicContact CB-CD2 4.27Å; V123-F128 HydrophobicContact CB-CE2 3.61Å; V123-F128 HydrophobicContact CB-CZ 4.42Å; V123-F128 HydrophobicContact CG1-CD2 3.56Å; V123-F128 HydrophobicContact CG1-CE2 3.05Å; V123-F128 HydrophobicContact CG1-CZ 3.71Å; V123-F128 HydrophobicContact CG2-CE2 4.19Å
129E43.2Very low43.4Very low71 Ų71102.3 Ų102.333%0.33254%0.538SS..SBendtrans-104.2-0.4-175.2-69.2-177.7-179.700113.9K125 P141K125-E129 WeakPolarHBondContact CE-OE2 3.47Å; E129-P141 WeakPolarHBondContact O-CD 3.37Å
130C39.2Very low44.2Very low57 Ų57103.1 Ų103.139%0.38555%0.546SS..  trans-118.5106.2176.8-66.60000110.7L138C130-L138 HydrophobicContact CB-CD1 3.64Å; C130-L138 HydrophobicContact CB-CG 4.11Å
131V44.9Very low44.8Very low81 Ų8199.9 Ų99.949%0.49154%0.543SS..EExtended strand (participates in β ladder)trans-90.2114.2165.9-175.60000106.7Y139V131-Y139 PolarHBondContact N-O 3.42Å; V131-Y139 PolarHBondContact O-N 3.37Å
132I40.5Very low45Very low112 Ų112108 Ų10857%0.57457%0.57SS**EExtended strand (participates in β ladder)trans-82.3120.3165.6-57.2175.9000105.5L138I132-L138 HydrophobicContact CG1-CD1 4.36Å
133D48.9Very low45.3Very low43 Ų43109.8 Ų109.823%0.2357%0.572CS.*  trans-72171.7173.270.5-7000111.1S135 G136 K137 Y139D133-S135 PolarHBondContact O-N 3.39Å; D133-S135 VanDerWaalsContact OD1-C 3.3Å; D133-S135 WeakPolarHBondContact OD1-CA 3.43Å; D133-S135 WeakPolarHBondContact OD1-CB 3.31Å; D133-S135 PolarHBondContact OD1-N 3.2Å; D133-S135 PolarHBondContact OD1-OG 3.06Å; D133-S135 WeakPolarHBondContact OD2-CB 3.36Å; D133-S135 PolarHBondContact OD2-OG 3.26Å; D133-G136 PolarHBondContact O-N 3.24Å; D133-G136 PolarHBondContact OD1-N 3.05Å; D133-K137 PolarHBondContact N-O 3.34Å; D133-K137 VanDerWaalsContact N-O 3.12Å; D133-K137 WeakPolarHBondContact OD1-CA 3.26Å; D133-K137 PolarHBondContact OD1-N 3.27Å; D133-Y139 HydrophobicContact CB-CD2 4.05Å; D133-Y139 HydrophobicContact CB-CE2 3.79Å; D133-Y139 VanDerWaalsContact OD2-CE2 3.3Å; D133-Y139 WeakPolarHBondContact OD2-CE2 3.38Å
134E47.6Very low44.9Very low211 Ų211111.9 Ų111.999%0.98659%0.585SS**THydrogen-bonded Turntrans-59.4-13.1173.9-62.7179.4173.600113
135S59.6Low44.6Very low80 Ų80112.6 Ų112.656%0.55959%0.594SS**THydrogen-bonded Turntrans-89.5-0.7176.490.20000114.2D133 K137D133-S135 PolarHBondContact O-N 3.39Å; D133-S135 VanDerWaalsContact OD1-C 3.3Å; D133-S135 WeakPolarHBondContact OD1-CA 3.43Å; D133-S135 WeakPolarHBondContact OD1-CB 3.31Å; D133-S135 PolarHBondContact OD1-N 3.2Å; D133-S135 PolarHBondContact OD1-OG 3.06Å; D133-S135 WeakPolarHBondContact OD2-CB 3.36Å; D133-S135 PolarHBondContact OD2-OG 3.26Å; S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact O-N 3.12Å
136G44.7Very low44.4Very low60 Ų60110.4 Ų110.462%0.61959%0.593SS**SBendtrans779.8-177.800000114.1D133D133-G136 PolarHBondContact O-N 3.24Å; D133-G136 PolarHBondContact OD1-N 3.05Å
137K50.3Low44.2Very low139 Ų139114.5 Ų114.560%0.60460%0.603SS**  trans-91.1132.5177-75.5-174.5177.5177.40111.3D133 S135 Y139D133-K137 PolarHBondContact N-O 3.34Å; D133-K137 VanDerWaalsContact N-O 3.12Å; D133-K137 WeakPolarHBondContact OD1-CA 3.26Å; D133-K137 PolarHBondContact OD1-N 3.27Å; S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact O-N 3.12Å; K137-Y139 HydrophobicContact CB-CE2 4.47Å; K137-Y139 PolarHBondContact O-N 3Å
138L46.4Very low43.9Very low97 Ų97114.3 Ų114.351%0.50860%0.595SS.*EExtended strand (participates in β ladder)trans-76.9114.7176.9-164105.1000110.3C130 I132 Q140C130-L138 HydrophobicContact CB-CD1 3.64Å; C130-L138 HydrophobicContact CB-CG 4.11Å; I132-L138 HydrophobicContact CG1-CD1 4.36Å; L138-Q140 HydrophobicContact CD2-CG 4.47Å
139Y48.6Very low43.9Very low137 Ų137117.1 Ų117.154%0.53760%0.601SS.*EExtended strand (participates in β ladder)trans-95.3118.9170-76.7-87.4000110.9V131 D133 K137V131-Y139 PolarHBondContact N-O 3.42Å; V131-Y139 PolarHBondContact O-N 3.37Å; D133-Y139 HydrophobicContact CB-CD2 4.05Å; D133-Y139 HydrophobicContact CB-CE2 3.79Å; D133-Y139 VanDerWaalsContact OD2-CE2 3.3Å; D133-Y139 WeakPolarHBondContact OD2-CE2 3.38Å; K137-Y139 HydrophobicContact CB-CE2 4.47Å; K137-Y139 PolarHBondContact O-N 3Å
140Q51.7Low43.9Very low151 Ų151118.5 Ų118.571%0.70660%0.604SS**PPolyproline II helixtrans-83.4120.6163.9-72.6178.8-2.100109L138 R142L138-Q140 HydrophobicContact CD2-CG 4.47Å; Q140-R142 PolarHBondContact O-N 2.93Å
141P49.1Very low43.9Very low69 Ų69120.8 Ų120.845%0.44861%0.609SS.*PPolyproline II helixtrans-66.2120.9177.524.7-30.8000110.3E129 T143E129-P141 WeakPolarHBondContact O-CD 3.37Å; P141-T143 VanDerWaalsContact C-N 3.33Å; P141-T143 PolarHBondContact O-N 3.49Å
142R48Very low43.8Very low249 Ų249120.9 Ų120.994%0.9461%0.611SS**SBendtrans-79.9-1.9-175.1-74.5-175.1175.6-176.9-1115.1Q140Q140-R142 PolarHBondContact O-N 2.93Å
143T43.2Very low44Very low130 Ų130124.2 Ų124.280%0.79862%0.621SS**SBendtrans-134.7-1.3-164.3520000116.3P141P141-T143 VanDerWaalsContact C-N 3.33Å; P141-T143 PolarHBondContact O-N 3.49Å
144T35Very low44.1Very low106 Ų106126.7 Ų126.765%0.6563%0.634SS**  trans-99.593.8177.535.60000111.4S146T144-S146 PolarHBondContact O-N 3.02Å; T144-S146 VanDerWaalsContact O-N 3.08Å
145T31.9Very low44.3Very low128 Ų128123.7 Ų123.779%0.78563%0.625SS**  trans-7296162.248.10000108.6I147T145-I147 PolarHBondContact O-N 3.1Å; T145-I147 VanDerWaalsContact O-N 3.1Å
146S35.9Very low44Very low69 Ų69124.2 Ų124.248%0.48363%0.627SS.*  trans-64.6111.5164.465.20000107.7T144 R148T144-S146 PolarHBondContact O-N 3.02Å; T144-S146 VanDerWaalsContact O-N 3.08Å; S146-R148 PolarHBondContact O-N 3.37Å
147I35.3Very low44.5Very low156 Ų156122.7 Ų122.780%0.861%0.606SS**  trans-68.987.8168.6-60.1170000105.4T145 R149T145-I147 PolarHBondContact O-N 3.1Å; T145-I147 VanDerWaalsContact O-N 3.1Å; I147-R149 PolarHBondContact O-N 3.42Å
148R35.4Very low45.1Very low102 Ų102120 Ų12039%0.38560%0.601SS.*  trans-60.8114.4171.3-69.7-176171.9-118.5-23.3107.1S146 Y150 P152S146-R148 PolarHBondContact O-N 3.37Å; R148-Y150 VanDerWaalsContact CB-O 3.3Å; R148-Y150 WeakPolarHBondContact CB-O 3.29Å; R148-Y150 PolarHBondContact O-N 2.84Å; R148-P152 VanDerWaalsContact NH1-CB 3.28Å
149R42.3Very low45.6Very low211 Ų211116.8 Ų116.880%0.79659%0.587SS**SBendtrans-65.1-12.8170.6-67.8-175.4178.1-166.1-0.9112.1I147I147-R149 PolarHBondContact O-N 3.42Å
150Y44.1Very low46.4Very low101 Ų101110.9 Ų110.940%0.39656%0.564SS.*SBendtrans-137.5141.3-176.8-58.1-81000111.1R148 P157 Y162R148-Y150 VanDerWaalsContact CB-O 3.3Å; R148-Y150 WeakPolarHBondContact CB-O 3.29Å; R148-Y150 PolarHBondContact O-N 2.84Å; Y150-P157 HydrophobicContact CD1-CG 4.26Å; Y150-P157 HydrophobicContact CD2-CG 3.89Å; Y150-P157 HydrophobicContact CE1-CB 4.24Å; Y150-P157 HydrophobicContact CE1-CG 3.97Å; Y150-P157 HydrophobicContact CE2-CG 3.6Å; Y150-P157 HydrophobicContact CG-CG 4.22Å; Y150-Y162 HydrophobicContact CE2-CE1 4.32Å; Y150-Y162 VanDerWaalsContact CE2-OH 3.28Å; Y150-Y162 WeakPolarHBondContact CE2-OH 3.43Å; Y150-Y162 VanDerWaalsContact OH-CE1 3.3Å; Y150-Y162 WeakPolarHBondContact OH-CE1 3.34Å
151H38.4Very low46.9Very low105 Ų105105.4 Ų105.449%0.48655%0.548SS..  trans-66141178.5-175.1-95.4000109.9K153 D154H151-K153 PolarHBondContact ND1-N 2.89Å; H151-K153 PolarHBondContact O-N 3.39Å; H151-D154 WeakPolarHBondContact CB-OD2 3.42Å; H151-D154 WeakPolarHBondContact O-CB 3.48Å; H151-D154 PolarHBondContact O-N 3.45Å
152P43.5Very low47.4Very low82 Ų82106.2 Ų106.253%0.53254%0.543SS..THydrogen-bonded Turntrans-58.6-23.1-175.3-20.828.2000115.4R148R148-P152 VanDerWaalsContact NH1-CB 3.28Å
153K45.1Very low47.8Very low183 Ų18395 Ų9580%0.79650%0.501SS*.THydrogen-bonded Turntrans-89.2-10.5179.3-58.5-173.3-177.1177.70113H151H151-K153 PolarHBondContact ND1-N 2.89Å; H151-K153 PolarHBondContact O-N 3.39Å
154D50.9Low48.9Very low94 Ų9493.5 Ų93.550%0.50348%0.484SS..SBendtrans-81.2140.9178.4-60.8-11.8000108.1H151H151-D154 WeakPolarHBondContact CB-OD2 3.42Å; H151-D154 WeakPolarHBondContact O-CB 3.48Å; H151-D154 PolarHBondContact O-N 3.45Å
155N51.1Low50.3Low149 Ų14991.2 Ų91.280%0.79748%0.476SS*.PPolyproline II helixtrans-55.2133.9172.1-69.7-36.4000108.5
156P53.3Low51.5Low91 Ų9187.4 Ų87.459%0.59145%0.454SS*.PPolyproline II helixtrans-56.3138.3178.524.3-33.1000108.6T158P156-T158 PolarHBondContact O-N 2.83Å; P156-T158 VanDerWaalsContact O-N 3.08Å
157P55.7Low52.7Low27 Ų2785.1 Ų85.118%0.17544%0.438CS..PPolyproline II helixtrans-58.9118.5177.624.3-36000110Y150 Y162Y150-P157 HydrophobicContact CD1-CG 4.26Å; Y150-P157 HydrophobicContact CD2-CG 3.89Å; Y150-P157 HydrophobicContact CE1-CB 4.24Å; Y150-P157 HydrophobicContact CE1-CG 3.97Å; Y150-P157 HydrophobicContact CE2-CG 3.6Å; Y150-P157 HydrophobicContact CG-CG 4.22Å; P157-Y162 HydrophobicContact CB-CD2 3.95Å; P157-Y162 HydrophobicContact CB-CE1 4.46Å; P157-Y162 HydrophobicContact CB-CE2 3.5Å; P157-Y162 VanDerWaalsContact CB-CE2 3.5Å; P157-Y162 HydrophobicContact CG-CD2 4.24Å; P157-Y162 HydrophobicContact CG-CE1 4.26Å; P157-Y162 HydrophobicContact CG-CE2 3.29Å; P157-Y162 WeakPolarHBondContact CG-OH 3.47Å; P157-Y162 WeakPolarHBondContact O-CE2 3.3Å
158T62.7Low54.4Low83 Ų8384 Ų8451%0.50943%0.427SS..PPolyproline II helixtrans-61.5153.2173.1-32.80000109.8P156 L160 G161 Y162P156-T158 PolarHBondContact O-N 2.83Å; P156-T158 VanDerWaalsContact O-N 3.08Å; T158-L160 PolarHBondContact O-N 3.37Å; T158-L160 VanDerWaalsContact O-N 3.16Å; T158-G161 WeakPolarHBondContact O-CA 3.37Å; T158-G161 PolarHBondContact O-N 3.49Å; T158-Y162 PolarHBondContact O-N 3.32Å; T158-Y162 VanDerWaalsContact O-N 3.12Å
159S56.9Low55.8Low30 Ų3083.4 Ų83.421%0.2143%0.428CS..Hα-helixtrans-47.3-42.3170.754.10000112.7G161 Y162 L163S159-G161 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 2.95Å; S159-Y162 PolarHBondContact O-N 3.36Å; S159-L163 WeakPolarHBondContact O-CB 3.39Å; S159-L163 PolarHBondContact O-N 2.89Å
160L64.1Low56.7Low13 Ų1373.9 Ų73.97%0.06839%0.393CS..Hα-helixtrans-62-36.3174.1-174.466.3000112.8T158 L163 K164 E208 L211 M212 E215T158-L160 PolarHBondContact O-N 3.37Å; T158-L160 VanDerWaalsContact O-N 3.16Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-K164 HydrophobicContact CG-CD 4.2Å; L160-K164 WeakPolarHBondContact O-CB 3.19Å; L160-K164 VanDerWaalsContact O-CG 3.26Å; L160-K164 WeakPolarHBondContact O-CG 3.47Å; L160-K164 PolarHBondContact O-N 3.49Å; L160-E208 HydrophobicContact CD1-CG 4.02Å; L160-L211 HydrophobicContact CD1-CB 4.18Å; L160-M212 HydrophobicContact CD1-CG 4.18Å; L160-M212 HydrophobicContact CD1-SD 4.09Å; L160-M212 HydrophobicContact CD2-SD 3.5Å; L160-M212 VanDerWaalsContact CD2-SD 3.5Å; L160-M212 HydrophobicContact CG-SD 4.44Å; L160-E215 WeakPolarHBondContact CD2-OE2 3.29Å
161G63.5Low57.8Low35 Ų3573.7 Ų73.736%0.36140%0.399SS..Hα-helixtrans-64.8-45.6176.500000112.4T158 S159 L163 K164 A165T158-G161 WeakPolarHBondContact O-CA 3.37Å; T158-G161 PolarHBondContact O-N 3.49Å; S159-G161 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 2.95Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.3Å; G161-K164 PolarHBondContact O-N 2.86Å; G161-A165 PolarHBondContact O-N 2.91Å
162Y59.6Low59.1Low87 Ų8774.2 Ų74.234%0.34140%0.401SS..Hα-helixtrans-62.4-41.8173.8-78.1-72.2000112.4Y150 P157 T158 S159 A165 S166Y150-Y162 HydrophobicContact CE2-CE1 4.32Å; Y150-Y162 VanDerWaalsContact CE2-OH 3.28Å; Y150-Y162 WeakPolarHBondContact CE2-OH 3.43Å; Y150-Y162 VanDerWaalsContact OH-CE1 3.3Å; Y150-Y162 WeakPolarHBondContact OH-CE1 3.34Å; P157-Y162 HydrophobicContact CB-CD2 3.95Å; P157-Y162 HydrophobicContact CB-CE1 4.46Å; P157-Y162 HydrophobicContact CB-CE2 3.5Å; P157-Y162 VanDerWaalsContact CB-CE2 3.5Å; P157-Y162 HydrophobicContact CG-CD2 4.24Å; P157-Y162 HydrophobicContact CG-CE1 4.26Å; P157-Y162 HydrophobicContact CG-CE2 3.29Å; P157-Y162 WeakPolarHBondContact CG-OH 3.47Å; P157-Y162 WeakPolarHBondContact O-CE2 3.3Å; T158-Y162 PolarHBondContact O-N 3.32Å; T158-Y162 VanDerWaalsContact O-N 3.12Å; S159-Y162 PolarHBondContact O-N 3.36Å; Y162-A165 PolarHBondContact O-N 2.9Å; Y162-S166 WeakPolarHBondContact O-CB 3.47Å; Y162-S166 PolarHBondContact O-N 3.02Å; Y162-S166 PolarHBondContact O-OG 3.47Å
163L56.6Low60Low12 Ų1275.1 Ų75.16%0.06340%0.401CS..Hα-helixtrans-63.2-47.3178.2-169.677.3000111S159 L160 G161 A165 S166 V167 L204 E207 E208 L211S159-L163 WeakPolarHBondContact O-CB 3.39Å; S159-L163 PolarHBondContact O-N 2.89Å; L160-L163 PolarHBondContact O-N 3.48Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.3Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.88Å; L163-S166 WeakPolarHBondContact O-CB 3.49Å; L163-S166 PolarHBondContact O-N 2.99Å; L163-S166 VanDerWaalsContact O-N 3.1Å; L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 2.64Å; L163-L204 HydrophobicContact CD1-CB 4.41Å; L163-L204 HydrophobicContact CD1-CD2 3.44Å; L163-L204 VanDerWaalsContact CD1-CD2 3.44Å; L163-E207 HydrophobicContact CD1-CB 4.22Å; L163-E207 HydrophobicContact CD2-CB 4.15Å; L163-E208 HydrophobicContact CD2-CB 3.49Å; L163-E208 VanDerWaalsContact CD2-CB 3.49Å; L163-E208 HydrophobicContact CD2-CG 4.2Å; L163-L211 HydrophobicContact CB-CD1 4.5Å; L163-L211 HydrophobicContact CD2-CD1 4.05Å
164K66.6Low60.8Low99 Ų9969.2 Ų69.243%0.4338%0.378SS..Hα-helixtrans-58.8-42.1176.3-77.3175.2178176.40112L160 G161 S166 V167 K168L160-K164 HydrophobicContact CG-CD 4.2Å; L160-K164 WeakPolarHBondContact O-CB 3.19Å; L160-K164 VanDerWaalsContact O-CG 3.26Å; L160-K164 WeakPolarHBondContact O-CG 3.47Å; L160-K164 PolarHBondContact O-N 3.49Å; G161-K164 PolarHBondContact O-N 2.86Å; K164-S166 VanDerWaalsContact C-N 3.35Å; K164-V167 PolarHBondContact O-N 3.44Å; K164-K168 VanDerWaalsContact O-CB 3.32Å; K164-K168 WeakPolarHBondContact O-CB 3.39Å; K164-K168 PolarHBondContact O-N 3.49Å
165A63.9Low61.4Low59 Ų5969.1 Ų69.149%0.48838%0.378SS..Hα-helixtrans-62.2-42.5174.700000111.9G161 Y162 L163 K168 Q169G161-A165 PolarHBondContact O-N 2.91Å; Y162-A165 PolarHBondContact O-N 2.9Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.88Å; A165-K168 PolarHBondContact O-N 3.04Å; A165-Q169 PolarHBondContact O-N 3.02Å
166S57.5Low61.5Low47 Ų4765.8 Ų65.833%0.32937%0.365SS..Hα-helixtrans-65.9-42.1177.9-56.70000112.3Y162 L163 K164 Q169 L170Y162-S166 WeakPolarHBondContact O-CB 3.47Å; Y162-S166 PolarHBondContact O-N 3.02Å; Y162-S166 PolarHBondContact O-OG 3.47Å; L163-S166 WeakPolarHBondContact O-CB 3.49Å; L163-S166 PolarHBondContact O-N 2.99Å; L163-S166 VanDerWaalsContact O-N 3.1Å; K164-S166 VanDerWaalsContact C-N 3.35Å; S166-Q169 PolarHBondContact O-N 2.77Å; S166-L170 PolarHBondContact O-N 3.18Å
167V61.3Low61.5Low22 Ų2268.7 Ų68.713%0.13338%0.375CS..Hα-helixtrans-63.4-44.8175171.10000110.4L163 K164 Q169 L170 L171 L201 L204L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 2.64Å; K164-V167 PolarHBondContact O-N 3.44Å; V167-Q169 PolarHBondContact O-N 3.08Å; V167-L170 PolarHBondContact O-N 3.43Å; V167-L171 WeakPolarHBondContact O-CB 3.49Å; V167-L171 PolarHBondContact O-N 3.14Å; V167-L201 HydrophobicContact CG1-CD1 4.21Å; V167-L204 HydrophobicContact CG2-CB 3.72Å; V167-L204 HydrophobicContact CG2-CD1 4.17Å
168K69.3Low61.2Low133 Ų13371.1 Ų71.158%0.57839%0.392SS*.Hα-helixtrans-58.3-48.4176.7-177.5-179.3174-173.10111.5K164 A165 L170 L171 E172K164-K168 VanDerWaalsContact O-CB 3.32Å; K164-K168 WeakPolarHBondContact O-CB 3.39Å; K164-K168 PolarHBondContact O-N 3.49Å; A165-K168 PolarHBondContact O-N 3.04Å; K168-L170 VanDerWaalsContact C-N 3.35Å; K168-L170 PolarHBondContact O-N 3.16Å; K168-L171 PolarHBondContact O-N 2.8Å; K168-E172 WeakPolarHBondContact CE-OE1 3.37Å; K168-E172 WeakPolarHBondContact O-CG 3.44Å; K168-E172 PolarHBondContact O-N 3.35Å
169Q64.6Low60.7Low88 Ų8876.1 Ų76.141%0.41141%0.407SS..Hα-helixtrans-62.7-39.9178.7-170.6179.914.700112.4A165 S166 V167 E172 N173A165-Q169 PolarHBondContact O-N 3.02Å; S166-Q169 PolarHBondContact O-N 2.77Å; V167-Q169 PolarHBondContact O-N 3.08Å; Q169-E172 PolarHBondContact O-N 3.44Å; Q169-N173 VanDerWaalsContact O-CG 3.24Å; Q169-N173 PolarHBondContact O-N 2.79Å; Q169-N173 VanDerWaalsContact O-N 3.08Å; Q169-N173 PolarHBondContact O-ND2 3.44Å; Q169-N173 VanDerWaalsContact O-ND2 3.17Å
170L61.7Low59.8Low12 Ų1280.1 Ų80.16%0.06344%0.435CS..Hα-helixtrans-67.9-36.4175.5-79.1166.4000112.6S166 V167 K168 N173 L174 M197 R200 L204S166-L170 PolarHBondContact O-N 3.18Å; V167-L170 PolarHBondContact O-N 3.43Å; K168-L170 VanDerWaalsContact C-N 3.35Å; K168-L170 PolarHBondContact O-N 3.16Å; L170-N173 PolarHBondContact O-N 3.07Å; L170-L174 WeakPolarHBondContact O-CG 3.37Å; L170-L174 PolarHBondContact O-N 3.4Å; L170-M197 HydrophobicContact CD2-SD 3.71Å; L170-R200 HydrophobicContact CD1-CG 4.02Å; L170-L204 HydrophobicContact CD1-CD1 3.12Å
171L67.7Low58.7Low97 Ų9786.4 Ų86.451%0.50847%0.468SS..Hα-helixtrans-67.9-37.8177-156.974.6000111.6V167 K168 N173 L174 N175 L201V167-L171 WeakPolarHBondContact O-CB 3.49Å; V167-L171 PolarHBondContact O-N 3.14Å; K168-L171 PolarHBondContact O-N 2.8Å; L171-N173 VanDerWaalsContact C-N 3.34Å; L171-L174 PolarHBondContact O-N 3.34Å; L171-N175 PolarHBondContact O-N 2.86Å; L171-L201 HydrophobicContact CD1-CD2 4.5Å
172E66.3Low57.3Low115 Ų11590.3 Ų90.354%0.53749%0.49SS..Hα-helixtrans-62-40.9171.9-73.3169.6-176.200111.3K168 Q169 L174 N175K168-E172 WeakPolarHBondContact CE-OE1 3.37Å; K168-E172 WeakPolarHBondContact O-CG 3.44Å; K168-E172 PolarHBondContact O-N 3.35Å; Q169-E172 PolarHBondContact O-N 3.44Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.94Å; E172-N175 PolarHBondContact O-N 3.11Å
173N60.8Low56.4Low101 Ų10191.1 Ų91.154%0.5450%0.5SS..Hα-helixtrans-68.7-29.9176.3-68.2-30.9000113.7Q169 L170 L171Q169-N173 VanDerWaalsContact O-CG 3.24Å; Q169-N173 PolarHBondContact O-N 2.79Å; Q169-N173 VanDerWaalsContact O-N 3.08Å; Q169-N173 PolarHBondContact O-ND2 3.44Å; Q169-N173 VanDerWaalsContact O-ND2 3.17Å; L170-N173 PolarHBondContact O-N 3.07Å; L171-N173 VanDerWaalsContact C-N 3.34Å
174L63.7Low55.6Low59 Ų5999 Ų9931%0.30954%0.536SS..Hα-helixtrans-80.3-16.3179.2-77.2165.6000113.1L170 L171 E172 P176 M197 L201L170-L174 WeakPolarHBondContact O-CG 3.37Å; L170-L174 PolarHBondContact O-N 3.4Å; L171-L174 PolarHBondContact O-N 3.34Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.94Å; L174-P176 VanDerWaalsContact C-CD 3.45Å; L174-P176 VanDerWaalsContact O-CD 3.28Å; L174-P176 WeakPolarHBondContact O-CD 3.44Å; L174-M197 HydrophobicContact CD2-CB 3.95Å; L174-L201 HydrophobicContact CD1-CD2 3.94Å
175N62.2Low54.5Low93 Ų93101.5 Ų101.550%0.49755%0.549SS..  trans-121.573.9-175.2-143.6-2.4000111L171 E172 N177L171-N175 PolarHBondContact O-N 2.86Å; E172-N175 PolarHBondContact O-N 3.11Å; N175-N177 PolarHBondContact O-N 2.94Å
176P53.6Low53.6Low79 Ų79102.3 Ų102.351%0.51355%0.551SS.*THydrogen-bonded Turntrans-65.9-5.4-175.925.6-33.7000114.3L174L174-P176 VanDerWaalsContact C-CD 3.45Å; L174-P176 VanDerWaalsContact O-CD 3.28Å; L174-P176 WeakPolarHBondContact O-CD 3.44Å
177N54.3Low53.2Low152 Ų152105.4 Ų105.481%0.81356%0.564SS**THydrogen-bonded Turntrans-90.71.2-173.1-72.5-14.6000114.9N175N175-N177 PolarHBondContact O-N 2.94Å
178S49.5Very low52.5Low77 Ų77114.2 Ų114.254%0.53860%0.6SS.*SBendtrans-122.3104.8177.965.60000112.2
179K50.8Low52.1Low188 Ų188111.8 Ų111.882%0.81759%0.593SS**SBendtrans83.494.7160.3-53.8178.2-178.7179.60116.6L181K179-L181 PolarHBondContact O-N 2.9Å
180S39.3Very low52.4Low115 Ų115110.6 Ų110.680%0.80459%0.594SS**  trans49.26714268.90000117.5
181L39.3Very low52.9Low144 Ų144114.4 Ų114.475%0.75462%0.62SS**  trans-126.4101.8141-10298.4000107.7K179 N183K179-L181 PolarHBondContact O-N 2.9Å; L181-N183 PolarHBondContact O-N 3.3Å
182S35.5Very low53.1Low117 Ų117114.4 Ų114.482%0.81862%0.623SS**  trans-54.688.8153.951.50000108.2
183N39.1Very low53.3Low105 Ų105113.1 Ų113.156%0.56162%0.617SS**  trans-160.8122.6161.9-89.2-28.8000106.1L181 H185L181-N183 PolarHBondContact O-N 3.3Å; N183-H185 PolarHBondContact O-N 3.22Å
184H39.9Very low53.8Low177 Ų177112.7 Ų112.782%0.81961%0.612SS**SBendtrans-6027.2-178.1-77.1-92000115.3
185H44.8Very low54.3Low152 Ų152114.7 Ų114.770%0.70462%0.623SS**THydrogen-bonded Turntrans-83.8-3.9-176.2-87.5-57000114.9N183 L187N183-H185 PolarHBondContact O-N 3.22Å; H185-L187 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.48Å
186S43.9Very low54.8Low75 Ų75115.3 Ų115.352%0.52463%0.626SS.*THydrogen-bonded Turntrans-83.43.9-177.968.10000114.9
187L48.8Very low55.5Low113 Ų113112.7 Ų112.759%0.59261%0.607SS**SBendtrans-104-9.5-161.9-82.6159.6000117.6H185H185-L187 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.48Å
188F48.3Very low56.6Low206 Ų206109 Ų10990%0.90459%0.585SS**  trans-149.465.4173.3-69.7-77.1000112.4S190F188-S190 PolarHBondContact O-N 2.75Å
189I60.5Low57.9Low83 Ų83107.8 Ų107.843%0.42658%0.58SS.*  trans-68.6113.6161.9-68.7173.2000106.9H193 Q194I189-H193 HydrophobicContact CG2-CB 4.01Å; I189-Q194 HydrophobicContact CG2-CB 3.85Å
190S70.2Confident59Low62 Ų62104.4 Ų104.443%0.43456%0.562SS.*  trans-53.4138.2172.6167.60000109.7F188 V192 H193 Q194F188-S190 PolarHBondContact O-N 2.75Å; S190-V192 PolarHBondContact O-N 3.01Å; S190-V192 PolarHBondContact OG-N 3.04Å; S190-H193 WeakPolarHBondContact O-CA 3.33Å; S190-H193 WeakPolarHBondContact O-CB 3.26Å; S190-H193 PolarHBondContact O-N 2.99Å; S190-Q194 PolarHBondContact O-N 2.81Å
191P72.6Confident60.7Low93 Ų9399.9 Ų99.960%0.60453%0.529SS*.Hα-helixtrans-50.9-33.5174.2-28.234.9000112.8Q194 N195P191-Q194 PolarHBondContact O-N 2.75Å; P191-N195 WeakPolarHBondContact O-CB 3.45Å; P191-N195 PolarHBondContact O-N 3.12Å; P191-N195 PolarHBondContact O-ND2 2.98Å
192V71.2Confident62.7Low96 Ų96100 Ų10058%0.58252%0.523SS*.Hα-helixtrans-63.7-42.9173.9-179.20000111.4S190 N195 L196S190-V192 PolarHBondContact O-N 3.01Å; S190-V192 PolarHBondContact OG-N 3.04Å; V192-N195 PolarHBondContact O-N 3.01Å; V192-L196 WeakPolarHBondContact O-CB 3.46Å; V192-L196 PolarHBondContact O-N 3.12Å
193H70.8Confident64.7Low88 Ų88100.8 Ų100.841%0.40751%0.508SS..Hα-helixtrans-68.6-40.5178-17280.1000111.9I189 S190 L196 M197I189-H193 HydrophobicContact CG2-CB 4.01Å; S190-H193 WeakPolarHBondContact O-CA 3.33Å; S190-H193 WeakPolarHBondContact O-CB 3.26Å; S190-H193 PolarHBondContact O-N 2.99Å; H193-L196 PolarHBondContact O-N 3.2Å; H193-M197 WeakPolarHBondContact O-CG 3.22Å; H193-M197 PolarHBondContact O-N 3.01Å
194Q70.6Confident66.4Low93 Ų9396.2 Ų96.244%0.43548%0.484SS..Hα-helixtrans-60-50.1173.9-176.9173.8-9.700110.9I189 S190 P191 L196 M197 E198I189-Q194 HydrophobicContact CG2-CB 3.85Å; S190-Q194 PolarHBondContact O-N 2.81Å; P191-Q194 PolarHBondContact O-N 2.75Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.3Å; Q194-M197 PolarHBondContact O-N 3.11Å; Q194-M197 VanDerWaalsContact O-N 3.14Å; Q194-E198 PolarHBondContact NE2-OE1 2.86Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.13Å; Q194-E198 WeakPolarHBondContact O-CG 3.39Å; Q194-E198 PolarHBondContact O-N 3.42Å
195N74.2Confident68.2Low101 Ų10192.7 Ų92.754%0.5447%0.466SS..Hα-helixtrans-58.2-40.1176.7-72.6-20.3000112.1P191 V192 E198 A199P191-N195 WeakPolarHBondContact O-CB 3.45Å; P191-N195 PolarHBondContact O-N 3.12Å; P191-N195 PolarHBondContact O-ND2 2.98Å; V192-N195 PolarHBondContact O-N 3.01Å; N195-E198 PolarHBondContact O-N 3.11Å; N195-A199 VanDerWaalsContact O-CB 3.29Å; N195-A199 WeakPolarHBondContact O-CB 3.44Å; N195-A199 PolarHBondContact O-N 3.05Å
196L74.7Confident69.9Low105 Ų10590.5 Ų90.555%0.5546%0.459SS..Hα-helixtrans-64.6-43176.2-175.468.9000112.1V192 H193 Q194 A199 R200V192-L196 WeakPolarHBondContact O-CB 3.46Å; V192-L196 PolarHBondContact O-N 3.12Å; H193-L196 PolarHBondContact O-N 3.2Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.3Å; L196-A199 PolarHBondContact O-N 3.35Å; L196-R200 VanDerWaalsContact O-CB 3.31Å; L196-R200 WeakPolarHBondContact O-CB 3.41Å; L196-R200 PolarHBondContact O-N 3.41Å
197M67.7Low71.4Confident25 Ų2588.8 Ų88.812%0.12344%0.443CS..Hα-helixtrans-66.6-41.1177.4-69.8-56.798.600111.7L170 L174 H193 Q194 R200 L201L170-M197 HydrophobicContact CD2-SD 3.71Å; L174-M197 HydrophobicContact CD2-CB 3.95Å; H193-M197 WeakPolarHBondContact O-CG 3.22Å; H193-M197 PolarHBondContact O-N 3.01Å; Q194-M197 PolarHBondContact O-N 3.11Å; Q194-M197 VanDerWaalsContact O-N 3.14Å; M197-R200 PolarHBondContact O-N 3.43Å; M197-L201 WeakPolarHBondContact O-CB 3.48Å; M197-L201 PolarHBondContact O-N 3.17Å
198E76.3Confident72.8Confident73 Ų7386 Ų8634%0.34143%0.427SS..Hα-helixtrans-63.7-43.9174.6-72.1-179.1-164.200112.1Q194 N195 R200 L201 K202Q194-E198 PolarHBondContact NE2-OE1 2.86Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.13Å; Q194-E198 WeakPolarHBondContact O-CG 3.39Å; Q194-E198 PolarHBondContact O-N 3.42Å; N195-E198 PolarHBondContact O-N 3.11Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-L201 PolarHBondContact O-N 3.14Å; E198-K202 WeakPolarHBondContact O-CG 3.49Å; E198-K202 PolarHBondContact O-N 3.15Å
199A76.6Confident74.4Confident53 Ų5383.4 Ų83.444%0.43842%0.415SS..Hα-helixtrans-62.4-42.1175.200000111.6N195 L196 K202 R203N195-A199 VanDerWaalsContact O-CB 3.29Å; N195-A199 WeakPolarHBondContact O-CB 3.44Å; N195-A199 PolarHBondContact O-N 3.05Å; L196-A199 PolarHBondContact O-N 3.35Å; A199-K202 PolarHBondContact O-N 2.7Å; A199-R203 PolarHBondContact O-N 2.73Å
200R73.9Confident75.4Confident116 Ų11685.1 Ų85.144%0.43842%0.423SS..Hα-helixtrans-62.5-43.3175-171.6174.7-176.7171.91.2111.5L170 L196 M197 E198 R203 L204L170-R200 HydrophobicContact CD1-CG 4.02Å; L196-R200 VanDerWaalsContact O-CB 3.31Å; L196-R200 WeakPolarHBondContact O-CB 3.41Å; L196-R200 PolarHBondContact O-N 3.41Å; M197-R200 PolarHBondContact O-N 3.43Å; E198-R200 VanDerWaalsContact C-N 3.34Å; R200-R203 PolarHBondContact O-N 3.26Å; R200-L204 HydrophobicContact CG-CD1 4.19Å; R200-L204 VanDerWaalsContact O-CG 3.29Å; R200-L204 WeakPolarHBondContact O-CG 3.39Å; R200-L204 PolarHBondContact O-N 3.07Å
201L76.8Confident75.7Confident21 Ų2184.7 Ų84.711%0.1142%0.415CS..Hα-helixtrans-62.5-43.1175.7-178.164.6000111.6V167 L171 L174 M197 E198 R203 L204 K205V167-L201 HydrophobicContact CG1-CD1 4.21Å; L171-L201 HydrophobicContact CD1-CD2 4.5Å; L174-L201 HydrophobicContact CD1-CD2 3.94Å; M197-L201 WeakPolarHBondContact O-CB 3.48Å; M197-L201 PolarHBondContact O-N 3.17Å; E198-L201 PolarHBondContact O-N 3.14Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-R203 PolarHBondContact O-N 2.88Å; L201-L204 PolarHBondContact O-N 3.12Å; L201-K205 HydrophobicContact CG-CD 4.38Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.41Å
202K79.6Confident76Confident147 Ų14784.4 Ų84.464%0.63941%0.407SS*.Hα-helixtrans-59.5-45175.3-74.3174-175.4172.80111.4E198 A199 K205 L206E198-K202 WeakPolarHBondContact O-CG 3.49Å; E198-K202 PolarHBondContact O-N 3.15Å; A199-K202 PolarHBondContact O-N 2.7Å; K202-K205 PolarHBondContact O-N 3.41Å; K202-L206 PolarHBondContact O-N 3.33Å; K202-L206 VanDerWaalsContact O-N 3.11Å
203R78.9Confident76.7Confident132 Ų13285.8 Ų85.850%0.49841%0.407SS..Hα-helixtrans-60.9-48.8175.7178.4-179.9163.1-179.2-3.2111.9A199 R200 L201 K205 L206 E207A199-R203 PolarHBondContact O-N 2.73Å; R200-R203 PolarHBondContact O-N 3.26Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-R203 PolarHBondContact O-N 2.88Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 2.89Å; R203-L206 WeakPolarHBondContact O-CB 3.2Å; R203-L206 PolarHBondContact O-N 2.94Å; R203-L206 VanDerWaalsContact O-N 3.07Å; R203-E207 IonicContact CZ-OE1 3.62Å; R203-E207 IonicContact NE-OE1 3.5Å; R203-E207 PolarHBondContact NE-OE1 3.03Å; R203-E207 IonicContact NH2-OE1 3.42Å; R203-E207 PolarHBondContact NH2-OE1 3.18Å; R203-E207 VanDerWaalsContact NH2-OE1 3.14Å; R203-E207 PolarHBondContact O-N 2.85Å
204L73.7Confident77Confident9 Ų984.2 Ų84.25%0.04741%0.409CS..Hα-helixtrans-63.6-37.4-179.9-68.8169.7000112.4L163 V167 L170 R200 L201 L206 E207 E208L163-L204 HydrophobicContact CD1-CB 4.41Å; L163-L204 HydrophobicContact CD1-CD2 3.44Å; L163-L204 VanDerWaalsContact CD1-CD2 3.44Å; V167-L204 HydrophobicContact CG2-CB 3.72Å; V167-L204 HydrophobicContact CG2-CD1 4.17Å; L170-L204 HydrophobicContact CD1-CD1 3.12Å; R200-L204 HydrophobicContact CG-CD1 4.19Å; R200-L204 VanDerWaalsContact O-CG 3.29Å; R200-L204 WeakPolarHBondContact O-CG 3.39Å; R200-L204 PolarHBondContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 3.12Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 3.41Å; L204-E207 PolarHBondContact O-N 3.25Å; L204-E208 WeakPolarHBondContact O-CB 3.29Å; L204-E208 PolarHBondContact O-N 3Å
205K78.2Confident77.6Confident103 Ų10383.6 Ų83.645%0.44841%0.406SS..Hα-helixtrans-63.7-34.3173.2-75.4178.9177.4-178.90112.5L201 K202 R203 K209L201-K205 HydrophobicContact CG-CD 4.38Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.41Å; K202-K205 PolarHBondContact O-N 3.41Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 2.89Å; K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 3.5Å
206L81.4Confident78.3Confident106 Ų10685.1 Ų85.156%0.55541%0.408SS*.Hα-helixtrans-69.3-47.1174.4-17669.1000110.8K202 R203 L204 E208 K209 M210K202-L206 PolarHBondContact O-N 3.33Å; K202-L206 VanDerWaalsContact O-N 3.11Å; R203-L206 WeakPolarHBondContact O-CB 3.2Å; R203-L206 PolarHBondContact O-N 2.94Å; R203-L206 VanDerWaalsContact O-N 3.07Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 3.41Å; L206-E208 VanDerWaalsContact C-N 3.25Å; L206-E208 PolarHBondContact O-N 2.98Å; L206-K209 PolarHBondContact O-N 3.28Å; L206-M210 WeakPolarHBondContact O-CG 3.34Å; L206-M210 PolarHBondContact O-N 3.12Å
207E75Confident78.8Confident40 Ų4085.1 Ų85.119%0.18741%0.408CS..Hα-helixtrans-57.9-39.3175.4-70.8176.6-174.900111.2M114 L163 R203 L204 M210 L211M114-E207 WeakPolarHBondContact CE-OE2 3.41Å; L163-E207 HydrophobicContact CD1-CB 4.22Å; L163-E207 HydrophobicContact CD2-CB 4.15Å; R203-E207 IonicContact CZ-OE1 3.62Å; R203-E207 IonicContact NE-OE1 3.5Å; R203-E207 PolarHBondContact NE-OE1 3.03Å; R203-E207 IonicContact NH2-OE1 3.42Å; R203-E207 PolarHBondContact NH2-OE1 3.18Å; R203-E207 VanDerWaalsContact NH2-OE1 3.14Å; R203-E207 PolarHBondContact O-N 2.85Å; L204-E207 PolarHBondContact O-N 3.25Å; E207-M210 PolarHBondContact O-N 3Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 2.65Å
208E78.6Confident79.5Confident54 Ų5487 Ų8725%0.25242%0.419SS..Hα-helixtrans-61.6-47176.6-173.5176.4-158.400111.2L160 L163 L204 L206 M210 L211 M212L160-E208 HydrophobicContact CD1-CG 4.02Å; L163-E208 HydrophobicContact CD2-CB 3.49Å; L163-E208 VanDerWaalsContact CD2-CB 3.49Å; L163-E208 HydrophobicContact CD2-CG 4.2Å; L204-E208 WeakPolarHBondContact O-CB 3.29Å; L204-E208 PolarHBondContact O-N 3Å; L206-E208 VanDerWaalsContact C-N 3.25Å; L206-E208 PolarHBondContact O-N 2.98Å; E208-M210 VanDerWaalsContact C-N 3.31Å; E208-M210 PolarHBondContact O-N 3.22Å; E208-L211 PolarHBondContact O-N 3.12Å; E208-M212 HydrophobicContact CG-CG 4.38Å; E208-M212 WeakPolarHBondContact O-CB 3.04Å; E208-M212 WeakPolarHBondContact O-CG 3.43Å; E208-M212 PolarHBondContact O-N 3.46Å
209K81Confident80Confident152 Ų15288.1 Ų88.166%0.66143%0.425SS*.Hα-helixtrans-60.6-41.4177.2-72.4175.5-179.1-174.90111.8K205 L206 M212 Q213K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 3.5Å; L206-K209 PolarHBondContact O-N 3.28Å; K209-M212 PolarHBondContact O-N 3.43Å; K209-Q213 WeakPolarHBondContact O-CB 3.33Å; K209-Q213 PolarHBondContact O-N 2.78Å
210M80.5Confident80.7Confident119 Ų11990.2 Ų90.259%0.58643%0.428SS*.Hα-helixtrans-65-45.1177.9-69.4-178.769.500111.8L206 E207 E208 Q213 A214L206-M210 WeakPolarHBondContact O-CG 3.34Å; L206-M210 PolarHBondContact O-N 3.12Å; E207-M210 PolarHBondContact O-N 3Å; E208-M210 VanDerWaalsContact C-N 3.31Å; E208-M210 PolarHBondContact O-N 3.22Å; M210-Q213 PolarHBondContact O-N 2.94Å; M210-A214 WeakPolarHBondContact O-CB 3.32Å; M210-A214 PolarHBondContact O-N 3.19Å
211L77.3Confident81.3Confident52 Ų5287.2 Ų87.227%0.27242%0.419SS..Hα-helixtrans-64.6-42.2176.8-73.7177.5000112.1L160 L163 E207 E208 Q213 A214 E215L160-L211 HydrophobicContact CD1-CB 4.18Å; L163-L211 HydrophobicContact CB-CD1 4.5Å; L163-L211 HydrophobicContact CD2-CD1 4.05Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 2.65Å; E208-L211 PolarHBondContact O-N 3.12Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.29Å; L211-A214 PolarHBondContact O-N 3.44Å; L211-E215 WeakPolarHBondContact O-CB 3.4Å; L211-E215 PolarHBondContact O-N 2.89Å
212M80.1Confident81.5Confident88 Ų8894.5 Ų94.543%0.43345%0.445SS..Hα-helixtrans-60.9-39.1174.9-73.2-67-55.700111.8L160 E208 K209 K216L160-M212 HydrophobicContact CD1-CG 4.18Å; L160-M212 HydrophobicContact CD1-SD 4.09Å; L160-M212 HydrophobicContact CD2-SD 3.5Å; L160-M212 VanDerWaalsContact CD2-SD 3.5Å; L160-M212 HydrophobicContact CG-SD 4.44Å; E208-M212 HydrophobicContact CG-CG 4.38Å; E208-M212 WeakPolarHBondContact O-CB 3.04Å; E208-M212 WeakPolarHBondContact O-CG 3.43Å; E208-M212 PolarHBondContact O-N 3.46Å; K209-M212 PolarHBondContact O-N 3.43Å; M212-K216 WeakPolarHBondContact O-CB 3.29Å; M212-K216 PolarHBondContact O-N 2.85Å
213Q83.8Confident81.8Confident125 Ų12594.2 Ų94.258%0.58445%0.449SS*.Hα-helixtrans-68.6-41.9176-175.7175.5-1.400111.7K209 M210 L211 K216 L217K209-Q213 WeakPolarHBondContact O-CB 3.33Å; K209-Q213 PolarHBondContact O-N 2.78Å; M210-Q213 PolarHBondContact O-N 2.94Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.29Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.28Å; Q213-L217 HydrophobicContact CG-CD1 4.39Å; Q213-L217 WeakPolarHBondContact O-CG 3.35Å; Q213-L217 PolarHBondContact O-N 2.93Å
214A79.2Confident82.3Confident54 Ų5491.5 Ų91.545%0.44644%0.439SS..Hα-helixtrans-63.1-45.6175.900000111.7M210 L211 K216 L217 D218M210-A214 WeakPolarHBondContact O-CB 3.32Å; M210-A214 PolarHBondContact O-N 3.19Å; L211-A214 PolarHBondContact O-N 3.44Å; A214-K216 VanDerWaalsContact C-N 3.31Å; A214-K216 PolarHBondContact O-N 3.42Å; A214-L217 PolarHBondContact O-N 2.9Å; A214-D218 WeakPolarHBondContact O-CB 3.49Å; A214-D218 PolarHBondContact O-N 2.8Å
215E81.7Confident83Confident81 Ų8196.8 Ų96.838%0.37946%0.461SS..Hα-helixtrans-60.8-40.8175.1-175.2175.8-155.400111.3L160 L211 D218 M219L160-E215 WeakPolarHBondContact CD2-OE2 3.29Å; L211-E215 WeakPolarHBondContact O-CB 3.4Å; L211-E215 PolarHBondContact O-N 2.89Å; E215-D218 PolarHBondContact O-N 2.97Å; E215-M219 HydrophobicContact CG-CE 4.48Å; E215-M219 WeakPolarHBondContact O-CB 3.44Å; E215-M219 WeakPolarHBondContact O-CG 3.33Å; E215-M219 PolarHBondContact O-N 3.32Å
216K88.5Confident83.6Confident133 Ų13392.9 Ų92.958%0.57845%0.447SS*.Hα-helixtrans-61.2-45.9173.8-178.3-179.4177.8-178.80112.1M212 Q213 A214 M219 L220M212-K216 WeakPolarHBondContact O-CB 3.29Å; M212-K216 PolarHBondContact O-N 2.85Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.28Å; A214-K216 VanDerWaalsContact C-N 3.31Å; A214-K216 PolarHBondContact O-N 3.42Å; K216-M219 PolarHBondContact O-N 3.16Å; K216-L220 HydrophobicContact CG-CD1 4.29Å; K216-L220 WeakPolarHBondContact O-CB 3.29Å; K216-L220 VanDerWaalsContact O-CG 3.29Å; K216-L220 WeakPolarHBondContact O-CG 3.49Å; K216-L220 PolarHBondContact O-N 2.96Å
217L86.5Confident84Confident104 Ų10491 Ų9155%0.54544%0.437SS..Hα-helixtrans-65.6-41178.6-72.4173000111.6Q213 A214 L220 E221Q213-L217 HydrophobicContact CG-CD1 4.39Å; Q213-L217 WeakPolarHBondContact O-CG 3.35Å; Q213-L217 PolarHBondContact O-N 2.93Å; A214-L217 PolarHBondContact O-N 2.9Å; L217-L220 PolarHBondContact O-N 3.34Å; L217-E221 WeakPolarHBondContact O-CB 3.47Å; L217-E221 PolarHBondContact O-N 2.94Å
218D82.9Confident84.7Confident66 Ų6694.8 Ų94.835%0.35347%0.465SS..Hα-helixtrans-63.2-44.2175.6-176.352.8000111.4A214 E215 L220 E221 R222A214-D218 WeakPolarHBondContact O-CB 3.49Å; A214-D218 PolarHBondContact O-N 2.8Å; E215-D218 PolarHBondContact O-N 2.97Å; D218-L220 PolarHBondContact O-N 3.43Å; D218-E221 PolarHBondContact O-N 3.14Å; D218-R222 VanDerWaalsContact O-CG 3.29Å; D218-R222 WeakPolarHBondContact O-CG 3.41Å; D218-R222 PolarHBondContact O-N 3.5Å; D218-R222 IonicContact OD1-NE 2.8Å; D218-R222 IonicContact OD2-CZ 3.43Å; D218-R222 IonicContact OD2-NE 3.14Å; D218-R222 PolarHBondContact OD2-NE 2.77Å; D218-R222 IonicContact OD2-NH2 3.07Å; D218-R222 PolarHBondContact OD2-NH2 3.44Å
219M86.2Confident85.2Confident95 Ų9598.8 Ų98.847%0.46848%0.482SS..Hα-helixtrans-60.9-45173.4-75.3-167.2-63.300112.6E215 K216 E221 R222 I223E215-M219 HydrophobicContact CG-CE 4.48Å; E215-M219 WeakPolarHBondContact O-CB 3.44Å; E215-M219 WeakPolarHBondContact O-CG 3.33Å; E215-M219 PolarHBondContact O-N 3.32Å; K216-M219 PolarHBondContact O-N 3.16Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.29Å; M219-R222 PolarHBondContact O-N 3.01Å; M219-I223 WeakPolarHBondContact O-CG1 3.36Å; M219-I223 PolarHBondContact O-N 3.15Å; M219-I223 VanDerWaalsContact O-N 3.12Å
220L90.6Very high85.7Confident98 Ų9893.6 Ų93.651%0.51346%0.458SS..Hα-helixtrans-60.6-41.7176-74.3172.2000110.9K216 L217 D218 I223 R224K216-L220 HydrophobicContact CG-CD1 4.29Å; K216-L220 WeakPolarHBondContact O-CB 3.29Å; K216-L220 VanDerWaalsContact O-CG 3.29Å; K216-L220 WeakPolarHBondContact O-CG 3.49Å; K216-L220 PolarHBondContact O-N 2.96Å; L217-L220 PolarHBondContact O-N 3.34Å; D218-L220 PolarHBondContact O-N 3.43Å; L220-I223 PolarHBondContact O-N 3.36Å; L220-R224 WeakPolarHBondContact O-CB 3.21Å; L220-R224 PolarHBondContact O-N 3.48Å
221E85.8Confident86.2Confident52 Ų5295.1 Ų95.124%0.24346%0.458CS..Hα-helixtrans-67.3-37.9178.4-175.249-135.700111.6L217 D218 M219 I223 R224 Y240 K244L217-E221 WeakPolarHBondContact O-CB 3.47Å; L217-E221 PolarHBondContact O-N 2.94Å; D218-E221 PolarHBondContact O-N 3.14Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.29Å; E221-I223 VanDerWaalsContact C-N 3.35Å; E221-I223 PolarHBondContact O-N 2.86Å; E221-R224 PolarHBondContact O-N 3.47Å; E221-R224 IonicContact OE1-CZ 2.65Å; E221-R224 IonicContact OE1-NE 2.94Å; E221-R224 PolarHBondContact OE1-NE 3.23Å; E221-R224 IonicContact OE1-NH2 3.75Å; E221-R224 PolarHBondContact OE1-NH2 3.48Å; E221-R224 IonicContact OE2-CZ 3.72Å; E221-R224 IonicContact OE2-NE 2.94Å; E221-R224 PolarHBondContact OE2-NE 2.85Å; E221-R224 IonicContact OE2-NH2 3.79Å; E221-Y240 HydrophobicContact CG-CE1 4.37Å; E221-Y240 WeakPolarHBondContact CG-OH 3.4Å; E221-Y240 VanDerWaalsContact OE1-CE1 3.31Å; E221-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E221-Y240 PolarHBondContact OE1-OH 3.27Å; E221-K244 WeakPolarHBondContact O-CE 3.45Å; E221-K244 PolarHBondContact O-NZ 3.31Å; E221-K244 IonicContact OE1-NZ 2.94Å; E221-K244 PolarHBondContact OE1-NZ 3.42Å
222R82.7Confident87Confident174 Ų17496.9 Ų96.966%0.65747%0.471SS*.Hα-helixtrans-62.6-39.2174.2-71173.4-167-164.93.4112.9D218 M219D218-R222 VanDerWaalsContact O-CG 3.29Å; D218-R222 WeakPolarHBondContact O-CG 3.41Å; D218-R222 PolarHBondContact O-N 3.5Å; D218-R222 IonicContact OD1-NE 2.8Å; D218-R222 IonicContact OD2-CZ 3.43Å; D218-R222 IonicContact OD2-NE 3.14Å; D218-R222 PolarHBondContact OD2-NE 2.77Å; D218-R222 IonicContact OD2-NH2 3.07Å; D218-R222 PolarHBondContact OD2-NH2 3.44Å; M219-R222 PolarHBondContact O-N 3.01Å
223I85.9Confident87.6Confident142 Ų14294.6 Ų94.673%0.72846%0.46SS*.Hα-helixtrans-82.5-26.8-177.2-61.2164.6000111.9M219 L220 E221 K225M219-I223 WeakPolarHBondContact O-CG1 3.36Å; M219-I223 PolarHBondContact O-N 3.15Å; M219-I223 VanDerWaalsContact O-N 3.12Å; L220-I223 PolarHBondContact O-N 3.36Å; E221-I223 VanDerWaalsContact C-N 3.35Å; E221-I223 PolarHBondContact O-N 2.86Å; I223-K225 PolarHBondContact O-N 2.65Å
224R89.2Confident88Confident74 Ų7498.7 Ų98.728%0.27948%0.476SS..SBendtrans-57.2140-179.5-170-173.662.882.8-8.2110.3L220 E221 L227 E241 K244L220-R224 WeakPolarHBondContact O-CB 3.21Å; L220-R224 PolarHBondContact O-N 3.48Å; E221-R224 PolarHBondContact O-N 3.47Å; E221-R224 IonicContact OE1-CZ 2.65Å; E221-R224 IonicContact OE1-NE 2.94Å; E221-R224 PolarHBondContact OE1-NE 3.23Å; E221-R224 IonicContact OE1-NH2 3.75Å; E221-R224 PolarHBondContact OE1-NH2 3.48Å; E221-R224 IonicContact OE2-CZ 3.72Å; E221-R224 IonicContact OE2-NE 2.94Å; E221-R224 PolarHBondContact OE2-NE 2.85Å; E221-R224 IonicContact OE2-NH2 3.79Å; R224-L227 VanDerWaalsContact NH1-CG 3.3Å; R224-E241 IonicContact CZ-OE1 3.83Å; R224-E241 IonicContact NH1-OE2 3.86Å; R224-E241 IonicContact NH2-OE1 2.71Å; R224-E241 PolarHBondContact NH2-OE1 3.05Å; R224-E241 IonicContact NH2-OE2 3.45Å; R224-E241 PolarHBondContact NH2-OE2 3.18Å; R224-K244 WeakPolarHBondContact O-CE 3.33Å; R224-K244 PolarHBondContact O-NZ 2.93Å
225K88.7Confident88.5Confident120 Ų120100 Ų10052%0.52248%0.479SS..PPolyproline II helixtrans-66159.5170.3-66.1179.1-171.4172.30111I223 Y257I223-K225 PolarHBondContact O-N 2.65Å; K225-Y257 HydrophobicContact CD-CE1 4.36Å; K225-Y257 WeakPolarHBondContact CE-OH 3.39Å; K225-Y257 PolarHBondContact NZ-OH 3.43Å
226P89.5Confident88.8Confident22 Ų22101.5 Ų101.514%0.14350%0.495CS..PPolyproline II helixtrans-51.4147.2169.4-23.732.7000111.6E241 K244 H245 L248P226-E241 VanDerWaalsContact CA-OE2 3.29Å; P226-E241 WeakPolarHBondContact CA-OE2 3.41Å; P226-K244 HydrophobicContact CG-CB 4.29Å; P226-K244 HydrophobicContact CG-CD 4.35Å; P226-K244 HydrophobicContact CG-CG 4.18Å; P226-H245 HydrophobicContact CB-CB 4.31Å; P226-H245 HydrophobicContact CG-CB 4.03Å; P226-L248 HydrophobicContact CG-CD2 4.45Å
227L90Very high88.7Confident65 Ų6598.9 Ų98.934%0.3449%0.485SS..PPolyproline II helixtrans-59141.8177.5-73.3172.4000110.8R224 K229 W230 I233 E241R224-L227 VanDerWaalsContact NH1-CG 3.3Å; L227-K229 PolarHBondContact O-N 3.32Å; L227-W230 HydrophobicContact CB-CB 4.28Å; L227-W230 WeakPolarHBondContact O-CB 3.39Å; L227-W230 VanDerWaalsContact O-CD1 3.27Å; L227-W230 PolarHBondContact O-N 3.48Å; L227-I233 HydrophobicContact CD1-CD1 3.83Å; L227-E241 HydrophobicContact CD1-CG 4.24Å; L227-E241 HydrophobicContact CG-CG 4.48Å; L227-E241 PolarHBondContact N-OE2 2.65Å
228P89.5Confident88.7Confident120 Ų12097.2 Ų97.278%0.77947%0.474SS*.THydrogen-bonded Turntrans-62.4137.3170.827.5-33000109.2W230P228-W230 PolarHBondContact O-N 3.37Å
229K90.1Very high89.1Confident139 Ų139101.2 Ų101.260%0.60449%0.488SS*.THydrogen-bonded Turntrans56.431.6-175.9-52.6-179.8-179.6178.30113.6L227 Y231 T232L227-K229 PolarHBondContact O-N 3.32Å; K229-Y231 HydrophobicContact CB-CE1 4.24Å; K229-Y231 HydrophobicContact CG-CE1 4.43Å; K229-Y231 PolarHBondContact O-N 3.47Å; K229-T232 HydrophobicContact CB-CG2 4.33Å; K229-T232 PolarHBondContact O-N 2.91Å; K229-T232 PolarHBondContact O-OG1 3.49Å
230W91Very high89.1Confident43 Ų43101.2 Ų101.216%0.16348%0.484CS..G310 helixtrans-51.7-27.8175.763-95.5000113.4L227 P228 T232 I233 F238 E241 A242 H245L227-W230 HydrophobicContact CB-CB 4.28Å; L227-W230 WeakPolarHBondContact O-CB 3.39Å; L227-W230 VanDerWaalsContact O-CD1 3.27Å; L227-W230 PolarHBondContact O-N 3.48Å; P228-W230 PolarHBondContact O-N 3.37Å; W230-T232 PolarHBondContact O-N 2.97Å; W230-I233 HydrophobicContact CB-CD1 4.24Å; W230-I233 WeakPolarHBondContact O-CB 3.47Å; W230-I233 WeakPolarHBondContact O-CG1 3.37Å; W230-I233 PolarHBondContact O-N 3.16Å; W230-I233 VanDerWaalsContact O-N 3.13Å; W230-F238 HydrophobicContact CE3-CD2 4.12Å; W230-F238 AromaticContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CZ3-CD2 4.16Å; W230-F238 AromaticContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CZ 4.02Å; W230-E241 HydrophobicContact CB-CB 3.56Å; W230-E241 HydrophobicContact CB-CG 4.04Å; W230-E241 HydrophobicContact CD2-CB 4.35Å; W230-E241 HydrophobicContact CE3-CB 4.39Å; W230-E241 HydrophobicContact CG-CB 4.04Å; W230-A242 HydrophobicContact CE3-CB 4.04Å; W230-A242 HydrophobicContact CH2-CB 3.9Å; W230-A242 HydrophobicContact CZ3-CB 3.41Å; W230-A242 VanDerWaalsContact CZ3-CB 3.41Å; W230-H245 AromaticContact CE2-CD2 3.92Å; W230-H245 AromaticContact CE2-CG 3.84Å; W230-H245 HydrophobicContact CZ2-CB 3.92Å; W230-H245 AromaticContact CZ2-CG 3.68Å; W230-H245 AromaticContact CZ2-ND1 3.82Å; W230-H245 AromaticContact NE1-CD2 3.28Å; W230-H245 PolarHBondContact NE1-CD2 3.32Å; W230-H245 VanDerWaalsContact NE1-CD2 3.28Å; W230-H245 AromaticContact NE1-CG 3.65Å; W230-H245 AromaticContact NE1-NE2 3.96Å
231Y91.3Very high89Confident150 Ų15096.6 Ų96.659%0.58846%0.459SS*.G310 helixtrans-65.8-11.4176.660-97.7000114.6K229K229-Y231 HydrophobicContact CB-CE1 4.24Å; K229-Y231 HydrophobicContact CG-CE1 4.43Å; K229-Y231 PolarHBondContact O-N 3.47Å
232T94.6Very high89.2Confident89 Ų8994.8 Ų94.855%0.54645%0.453SS..G310 helixtrans-93.1-6.3174.364.20000113.5K229 W230K229-T232 HydrophobicContact CB-CG2 4.33Å; K229-T232 PolarHBondContact O-N 2.91Å; K229-T232 PolarHBondContact O-OG1 3.49Å; W230-T232 PolarHBondContact O-N 2.97Å
233I91.7Very high89.4Confident40 Ų4094.5 Ų94.521%0.20545%0.452CS..  trans-71.5128.9-177.9-62.6173.2000109.5L227 W230 T235 Q237 F238 E241L227-I233 HydrophobicContact CD1-CD1 3.83Å; W230-I233 HydrophobicContact CB-CD1 4.24Å; W230-I233 WeakPolarHBondContact O-CB 3.47Å; W230-I233 WeakPolarHBondContact O-CG1 3.37Å; W230-I233 PolarHBondContact O-N 3.16Å; W230-I233 VanDerWaalsContact O-N 3.13Å; I233-T235 WeakPolarHBondContact CG2-OG1 3.35Å; I233-Q237 HydrophobicContact CG2-CB 4.19Å; I233-F238 HydrophobicContact CB-CB 4.44Å; I233-F238 HydrophobicContact CG2-CB 4.37Å; I233-E241 HydrophobicContact CD1-CG 4.22Å
234K91.6Very high89.5Confident211 Ų21188.9 Ų88.992%0.91742%0.423SS*.  trans-101.2-1.9177.8-64.7-175.7178.6-178.40114
235T91Very high89.5Confident82 Ų8287.3 Ų87.350%0.50342%0.418SS..SBendtrans-88165.7177.763.90000110.6I233 Q237 F238I233-T235 WeakPolarHBondContact CG2-OG1 3.35Å; T235-Q237 PolarHBondContact O-N 3.11Å; T235-Q237 WeakPolarHBondContact OG1-CB 3.34Å; T235-F238 WeakPolarHBondContact O-CB 3.42Å; T235-F238 PolarHBondContact O-N 2.87Å
236P87.8Confident89.4Confident112 Ų11285.6 Ų85.673%0.72742%0.415SS*.THydrogen-bonded Turntrans-54.7-18.1174.7-27.936.5000114.8F238 F239P236-F238 PolarHBondContact O-N 3.25Å; P236-F238 VanDerWaalsContact O-N 3.16Å; P236-F239 PolarHBondContact O-N 2.85Å
237Q86Confident89.2Confident79 Ų7989.1 Ų89.137%0.36943%0.429SS..Hα-helixtrans-57.3-24.8172.6-168.164.319.200112.9I233 T235 F239 Y240 E241I233-Q237 HydrophobicContact CG2-CB 4.19Å; T235-Q237 PolarHBondContact O-N 3.11Å; T235-Q237 WeakPolarHBondContact OG1-CB 3.34Å; Q237-F239 VanDerWaalsContact C-N 3.3Å; Q237-F239 PolarHBondContact O-N 3.17Å; Q237-Y240 WeakPolarHBondContact O-CB 3.31Å; Q237-Y240 PolarHBondContact O-N 3.46Å; Q237-E241 HydrophobicContact CG-CG 4.21Å; Q237-E241 PolarHBondContact NE2-OE1 3.35Å; Q237-E241 WeakPolarHBondContact O-CG 3.35Å; Q237-E241 PolarHBondContact O-N 3.45Å
238F87.3Confident88.9Confident68 Ų6888 Ų8830%0.29842%0.424SS..Hα-helixtrans-51.4-47.8175.1170-96.6000112.4W230 I233 T235 P236 Y240 E241 A242W230-F238 HydrophobicContact CE3-CD2 4.12Å; W230-F238 AromaticContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CZ3-CD2 4.16Å; W230-F238 AromaticContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CZ 4.02Å; I233-F238 HydrophobicContact CB-CB 4.44Å; I233-F238 HydrophobicContact CG2-CB 4.37Å; T235-F238 WeakPolarHBondContact O-CB 3.42Å; T235-F238 PolarHBondContact O-N 2.87Å; P236-F238 PolarHBondContact O-N 3.25Å; P236-F238 VanDerWaalsContact O-N 3.16Å; F238-Y240 VanDerWaalsContact C-N 3.3Å; F238-Y240 PolarHBondContact O-N 2.86Å; F238-E241 PolarHBondContact O-N 2.94Å; F238-A242 WeakPolarHBondContact O-CB 3.49Å; F238-A242 PolarHBondContact O-N 3.41Å
239F89.5Confident88.5Confident151 Ų15186.4 Ų86.466%0.66241%0.408SS*.Hα-helixtrans-65.7-36.7-177.5-64.7-74.9000112.1P236 Q237 R243P236-F239 PolarHBondContact O-N 2.85Å; Q237-F239 VanDerWaalsContact C-N 3.3Å; Q237-F239 PolarHBondContact O-N 3.17Å; F239-R243 VanDerWaalsContact O-CB 3.31Å; F239-R243 WeakPolarHBondContact O-CB 3.31Å; F239-R243 PolarHBondContact O-N 2.76Å
240Y86.5Confident88.1Confident95 Ų9587.9 Ų87.937%0.37341%0.414SS..Hα-helixtrans-64.6-49.9177.1179.4-93.7000111.3E221 Q237 F238 R243 K244E221-Y240 HydrophobicContact CG-CE1 4.37Å; E221-Y240 WeakPolarHBondContact CG-OH 3.4Å; E221-Y240 VanDerWaalsContact OE1-CE1 3.31Å; E221-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E221-Y240 PolarHBondContact OE1-OH 3.27Å; Q237-Y240 WeakPolarHBondContact O-CB 3.31Å; Q237-Y240 PolarHBondContact O-N 3.46Å; F238-Y240 VanDerWaalsContact C-N 3.3Å; F238-Y240 PolarHBondContact O-N 2.86Å; Y240-R243 PolarHBondContact O-N 2.83Å; Y240-K244 HydrophobicContact CE1-CD 4.49Å; Y240-K244 PolarHBondContact O-N 2.7Å
241E89.3Confident87.3Confident0 Ų088 Ų880%042%0.422CS..Hα-helixtrans-66.2-39.5177.9-61.3-63.9152.400112.5R224 P226 L227 W230 I233 Q237 F238 R243 K244 H245R224-E241 IonicContact CZ-OE1 3.83Å; R224-E241 IonicContact NH1-OE2 3.86Å; R224-E241 IonicContact NH2-OE1 2.71Å; R224-E241 PolarHBondContact NH2-OE1 3.05Å; R224-E241 IonicContact NH2-OE2 3.45Å; R224-E241 PolarHBondContact NH2-OE2 3.18Å; P226-E241 VanDerWaalsContact CA-OE2 3.29Å; P226-E241 WeakPolarHBondContact CA-OE2 3.41Å; L227-E241 HydrophobicContact CD1-CG 4.24Å; L227-E241 HydrophobicContact CG-CG 4.48Å; L227-E241 PolarHBondContact N-OE2 2.65Å; W230-E241 HydrophobicContact CB-CB 3.56Å; W230-E241 HydrophobicContact CB-CG 4.04Å; W230-E241 HydrophobicContact CD2-CB 4.35Å; W230-E241 HydrophobicContact CE3-CB 4.39Å; W230-E241 HydrophobicContact CG-CB 4.04Å; I233-E241 HydrophobicContact CD1-CG 4.22Å; Q237-E241 HydrophobicContact CG-CG 4.21Å; Q237-E241 PolarHBondContact NE2-OE1 3.35Å; Q237-E241 WeakPolarHBondContact O-CG 3.35Å; Q237-E241 PolarHBondContact O-N 3.45Å; F238-E241 PolarHBondContact O-N 2.94Å; E241-R243 VanDerWaalsContact C-N 3.34Å; E241-R243 PolarHBondContact O-N 3.28Å; E241-K244 WeakPolarHBondContact O-CB 3.34Å; E241-K244 PolarHBondContact O-N 3.28Å; E241-H245 WeakPolarHBondContact O-CB 3.21Å; E241-H245 PolarHBondContact O-N 3.4Å
242A89.2Confident85.8Confident14 Ų1493 Ų9312%0.11644%0.44CS..Hα-helixtrans-60.4-44.6176.200000111.2W230 F238 H245 N246W230-A242 HydrophobicContact CE3-CB 4.04Å; W230-A242 HydrophobicContact CH2-CB 3.9Å; W230-A242 HydrophobicContact CZ3-CB 3.41Å; W230-A242 VanDerWaalsContact CZ3-CB 3.41Å; F238-A242 WeakPolarHBondContact O-CB 3.49Å; F238-A242 PolarHBondContact O-N 3.41Å; A242-H245 PolarHBondContact O-N 2.72Å; A242-N246 WeakPolarHBondContact O-CB 3.39Å; A242-N246 PolarHBondContact O-N 2.94Å; A242-N246 PolarHBondContact O-ND2 3.16Å
243R88.5Confident84.2Confident169 Ų16995.5 Ų95.564%0.63845%0.446SS*.Hα-helixtrans-60.6-47.2175.5180178.4176.4161.71.6111.1F239 Y240 E241 H245 N246 E247F239-R243 VanDerWaalsContact O-CB 3.31Å; F239-R243 WeakPolarHBondContact O-CB 3.31Å; F239-R243 PolarHBondContact O-N 2.76Å; Y240-R243 PolarHBondContact O-N 2.83Å; E241-R243 VanDerWaalsContact C-N 3.34Å; E241-R243 PolarHBondContact O-N 3.28Å; R243-H245 VanDerWaalsContact C-N 3.35Å; R243-H245 PolarHBondContact O-N 3.17Å; R243-N246 PolarHBondContact O-N 3.38Å; R243-E247 WeakPolarHBondContact CG-OE1 3.38Å; R243-E247 IonicContact CZ-OE1 2.76Å; R243-E247 IonicContact NE-OE1 3.28Å; R243-E247 PolarHBondContact NE-OE1 2.95Å; R243-E247 IonicContact NH2-OE1 2.83Å; R243-E247 WeakPolarHBondContact O-CG 3.29Å; R243-E247 PolarHBondContact O-N 2.97Å
244K87.8Confident82.4Confident23 Ų2395.8 Ų95.810%0.144%0.444CS..Hα-helixtrans-61-42.8179-160.6-178.8-156-179.10112.3E221 R224 P226 Y240 E241 E247 L248E221-K244 WeakPolarHBondContact O-CE 3.45Å; E221-K244 PolarHBondContact O-NZ 3.31Å; E221-K244 IonicContact OE1-NZ 2.94Å; E221-K244 PolarHBondContact OE1-NZ 3.42Å; R224-K244 WeakPolarHBondContact O-CE 3.33Å; R224-K244 PolarHBondContact O-NZ 2.93Å; P226-K244 HydrophobicContact CG-CB 4.29Å; P226-K244 HydrophobicContact CG-CD 4.35Å; P226-K244 HydrophobicContact CG-CG 4.18Å; Y240-K244 HydrophobicContact CE1-CD 4.49Å; Y240-K244 PolarHBondContact O-N 2.7Å; E241-K244 WeakPolarHBondContact O-CB 3.34Å; E241-K244 PolarHBondContact O-N 3.28Å; K244-E247 PolarHBondContact O-N 3.03Å; K244-L248 WeakPolarHBondContact O-CB 2.87Å; K244-L248 PolarHBondContact O-N 2.86Å
245H87.7Confident80.6Confident41 Ų4190.6 Ų90.619%0.1943%0.434CS..Hα-helixtrans-61.7-44.3173.8-175.9-86.4000111.6P226 W230 E241 A242 R243 L248 L249 Y254P226-H245 HydrophobicContact CB-CB 4.31Å; P226-H245 HydrophobicContact CG-CB 4.03Å; W230-H245 AromaticContact CE2-CD2 3.92Å; W230-H245 AromaticContact CE2-CG 3.84Å; W230-H245 HydrophobicContact CZ2-CB 3.92Å; W230-H245 AromaticContact CZ2-CG 3.68Å; W230-H245 AromaticContact CZ2-ND1 3.82Å; W230-H245 AromaticContact NE1-CD2 3.28Å; W230-H245 PolarHBondContact NE1-CD2 3.32Å; W230-H245 VanDerWaalsContact NE1-CD2 3.28Å; W230-H245 AromaticContact NE1-CG 3.65Å; W230-H245 AromaticContact NE1-NE2 3.96Å; E241-H245 WeakPolarHBondContact O-CB 3.21Å; E241-H245 PolarHBondContact O-N 3.4Å; A242-H245 PolarHBondContact O-N 2.72Å; R243-H245 VanDerWaalsContact C-N 3.35Å; R243-H245 PolarHBondContact O-N 3.17Å; H245-L248 PolarHBondContact O-N 3.28Å; H245-L249 WeakPolarHBondContact O-CG 3.49Å; H245-L249 PolarHBondContact O-N 2.89Å; H245-Y254 PolarHBondContact CD2-OH 3.26Å; H245-Y254 AromaticContact NE2-CZ 3.78Å; H245-Y254 PolarHBondContact NE2-OH 2.86Å
246N87.2Confident79.1Confident85 Ų8592.7 Ų92.746%0.45544%0.442SS..Hα-helixtrans-66-37.8177.5-70-19.5000112.8A242 R243 L248 L249 K250A242-N246 WeakPolarHBondContact O-CB 3.39Å; A242-N246 PolarHBondContact O-N 2.94Å; A242-N246 PolarHBondContact O-ND2 3.16Å; R243-N246 PolarHBondContact O-N 3.38Å; N246-L248 VanDerWaalsContact C-N 3.35Å; N246-L249 PolarHBondContact O-N 2.81Å; N246-K250 WeakPolarHBondContact O-CG 3.36Å; N246-K250 PolarHBondContact O-N 2.71Å; N246-K250 VanDerWaalsContact O-N 3.11Å
247E85.1Confident77.6Confident95 Ų9592.9 Ų92.944%0.44443%0.43SS..Hα-helixtrans-63.3-43.1172.5-74.5172.4-173.600110.9R243 K244 L249 K250 S251R243-E247 WeakPolarHBondContact CG-OE1 3.38Å; R243-E247 IonicContact CZ-OE1 2.76Å; R243-E247 IonicContact NE-OE1 3.28Å; R243-E247 PolarHBondContact NE-OE1 2.95Å; R243-E247 IonicContact NH2-OE1 2.83Å; R243-E247 WeakPolarHBondContact O-CG 3.29Å; R243-E247 PolarHBondContact O-N 2.97Å; K244-E247 PolarHBondContact O-N 3.03Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 3.45Å; E247-K250 WeakPolarHBondContact O-CB 3.39Å; E247-K250 PolarHBondContact O-N 3.3Å; E247-K250 VanDerWaalsContact O-N 3.16Å; E247-S251 PolarHBondContact O-N 3.18Å; E247-S251 VanDerWaalsContact O-N 3.14Å
248L83.8Confident75.9Confident43 Ų4396.1 Ų96.123%0.22545%0.449CS..Hα-helixtrans-63.7-37175-17073.7000111.7P226 K244 H245 N246 K250 S251 Y254P226-L248 HydrophobicContact CG-CD2 4.45Å; K244-L248 WeakPolarHBondContact O-CB 2.87Å; K244-L248 PolarHBondContact O-N 2.86Å; H245-L248 PolarHBondContact O-N 3.28Å; N246-L248 VanDerWaalsContact C-N 3.35Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 3.13Å; L248-S251 WeakPolarHBondContact CA-OG 3.32Å; L248-S251 PolarHBondContact O-N 2.88Å; L248-S251 PolarHBondContact O-OG 2.91Å; L248-Y254 VanDerWaalsContact C-CE2 3.46Å; L248-Y254 HydrophobicContact CB-CD2 4.45Å; L248-Y254 HydrophobicContact CB-CE2 3.66Å; L248-Y254 HydrophobicContact CD2-CD2 4.26Å; L248-Y254 HydrophobicContact CD2-CE2 3.41Å; L248-Y254 VanDerWaalsContact CD2-CE2 3.41Å; L248-Y254 HydrophobicContact CG-CD2 3.9Å; L248-Y254 HydrophobicContact CG-CE2 3.32Å; L248-Y254 WeakPolarHBondContact O-CD2 3.16Å
249L81.7Confident73.6Confident86 Ų86107.2 Ų107.245%0.4549%0.491SS..Hα-helixtrans-65.7-31.8174.3-73.8172.6000112.8H245 N246 E247 Y254H245-L249 WeakPolarHBondContact O-CG 3.49Å; H245-L249 PolarHBondContact O-N 2.89Å; N246-L249 PolarHBondContact O-N 2.81Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 3.45Å; L249-Y254 HydrophobicContact CB-CD2 4.44Å; L249-Y254 HydrophobicContact CB-CE2 4.34Å; L249-Y254 HydrophobicContact CD2-CD1 3.83Å; L249-Y254 HydrophobicContact CD2-CD2 3.64Å; L249-Y254 HydrophobicContact CD2-CE1 3.84Å; L249-Y254 HydrophobicContact CD2-CE2 3.6Å; L249-Y254 HydrophobicContact CD2-CG 3.72Å; L249-Y254 HydrophobicContact CG-CD2 4.15Å; L249-Y254 HydrophobicContact CG-CE2 3.78Å
250K81.3Confident72.8Confident169 Ų169105 Ų10574%0.73548%0.482SS*.Hα-helixtrans-72-39.9177.6-72.2172.6-176.7-179.30111.9N246 E247 L248 R252N246-K250 WeakPolarHBondContact O-CG 3.36Å; N246-K250 PolarHBondContact O-N 2.71Å; N246-K250 VanDerWaalsContact O-N 3.11Å; E247-K250 WeakPolarHBondContact O-CB 3.39Å; E247-K250 PolarHBondContact O-N 3.3Å; E247-K250 VanDerWaalsContact O-N 3.16Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 3.13Å; K250-R252 PolarHBondContact O-N 2.98Å
251S73.5Confident72.1Confident47 Ų47105.5 Ų105.533%0.32949%0.488SS..THydrogen-bonded Turntrans-69116.1166.757.90000107.5E247 L248 Q253E247-S251 PolarHBondContact O-N 3.18Å; E247-S251 VanDerWaalsContact O-N 3.14Å; L248-S251 WeakPolarHBondContact CA-OG 3.32Å; L248-S251 PolarHBondContact O-N 2.88Å; L248-S251 PolarHBondContact O-OG 2.91Å; S251-Q253 PolarHBondContact O-N 3.26Å
252R61Low71.1Confident255 Ų255111.4 Ų111.496%0.96252%0.515SS*.THydrogen-bonded Turntrans-63.230.2-172.2-64.4176.1173.5-176.4-1.6116.2K250K250-R252 PolarHBondContact O-N 2.98Å
253Q60.2Low70Confident141 Ų141117.1 Ų117.166%0.65954%0.538SS*.  trans-9520.2-174.7-65.7-177.5-1800113.7S251S251-Q253 PolarHBondContact O-N 3.26Å
254Y54Low68.9Low46 Ų46113.9 Ų113.918%0.1853%0.532CS..G310 helixtrans-9416.3-170.8-116.4-86.8000116.1H245 L248 L249 D256H245-Y254 PolarHBondContact CD2-OH 3.26Å; H245-Y254 AromaticContact NE2-CZ 3.78Å; H245-Y254 PolarHBondContact NE2-OH 2.86Å; L248-Y254 VanDerWaalsContact C-CE2 3.46Å; L248-Y254 HydrophobicContact CB-CD2 4.45Å; L248-Y254 HydrophobicContact CB-CE2 3.66Å; L248-Y254 HydrophobicContact CD2-CD2 4.26Å; L248-Y254 HydrophobicContact CD2-CE2 3.41Å; L248-Y254 VanDerWaalsContact CD2-CE2 3.41Å; L248-Y254 HydrophobicContact CG-CD2 3.9Å; L248-Y254 HydrophobicContact CG-CE2 3.32Å; L248-Y254 WeakPolarHBondContact O-CD2 3.16Å; L249-Y254 HydrophobicContact CB-CD2 4.44Å; L249-Y254 HydrophobicContact CB-CE2 4.34Å; L249-Y254 HydrophobicContact CD2-CD1 3.83Å; L249-Y254 HydrophobicContact CD2-CD2 3.64Å; L249-Y254 HydrophobicContact CD2-CE1 3.84Å; L249-Y254 HydrophobicContact CD2-CE2 3.6Å; L249-Y254 HydrophobicContact CD2-CG 3.72Å; L249-Y254 HydrophobicContact CG-CD2 4.15Å; L249-Y254 HydrophobicContact CG-CE2 3.78Å; Y254-D256 PolarHBondContact O-N 3.2Å
255S54.7Low67.6Low101 Ų101119.9 Ų119.971%0.70656%0.561SS**G310 helixtrans-68-19.4179.4540000114
256D59.3Low66.2Low126 Ų126125.6 Ų125.667%0.67459%0.587SS**G310 helixtrans-1117.5-162.1-63.33.1000114.7Y254Y254-D256 PolarHBondContact O-N 3.2Å
257Y56.3Low64.6Low117 Ų117128.7 Ų128.746%0.45960%0.598SS.*SBendtrans-121.913.7-172.5-60.2-74.6000115.5K225K225-Y257 HydrophobicContact CD-CE1 4.36Å; K225-Y257 WeakPolarHBondContact CE-OH 3.39Å; K225-Y257 PolarHBondContact NZ-OH 3.43Å
258L49Very low62.8Low147 Ų147131.5 Ų131.577%0.7761%0.61SS**  trans-104.414.6179.8-81.8169.4000114.6
259Y39.5Very low60.9Low300 Ų300139.5 Ų139.5100%1.17665%0.645SS**  trans-129.80171-77.2-80.8000111.7

Retrieved 259 of 259 residues in 252.5 ms (Link to these results)