A0A087XLK0_POEFO Loading...

Cellular repressor of E1A-stimulated genes 1

AlphaFold DB , UniProt , Accession A0A087XLK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 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
1M38.4Very low45.4Very low239 Ų239154.5 Ų154.5100%1.17784%0.843SS**  0124.10-70.2165.678.400107.7
2S42.3Very low45.7Very low117 Ų117152.9 Ų152.982%0.81883%0.832SS**  trans17.2124.5162.3-53.30000120.2
3S36.8Very low46.2Very low114 Ų114154.2 Ų154.280%0.79784%0.836SS**  178.5131.4103.942.70000110.8
4A47.9Very low46.4Very low98 Ų98153.6 Ų153.681%0.8183%0.831SS**  trans-81.1133.8176.100000110
5L42.8Very low46.6Very low164 Ų164147.9 Ų147.986%0.85982%0.822SS**  trans-120.3112.7156-99.287.6000107.8
6R52.7Low47Very low244 Ų244149.3 Ų149.392%0.92183%0.826SS**  trans-102.1130159.2-80.1-176.1172.1-164.4-1.9107.7
7P44.5Very low47.2Very low112 Ų112147.2 Ų147.273%0.72783%0.825SS**  trans-99.3114.6151.113.35.7000109
8T48.8Very low47.5Very low128 Ų128153.2 Ų153.279%0.78583%0.832SS**  trans3111.1146.837.10000117.4L10T8-L10 PolarHBondContact O-N 3.07Å
9L48.8Very low47.7Very low149 Ų149149.7 Ų149.778%0.7883%0.827SS**  trans-69.4116.5155-98.993000108.7F11L9-F11 PolarHBondContact O-N 2.82Å
10L46.6Very low47.8Very low152 Ų152145.6 Ų145.680%0.79682%0.82SS**  trans-68.9104.9166.4-133.987.3000107.9T8 L12T8-L10 PolarHBondContact O-N 3.07Å; L10-L12 HydrophobicContact CD2-CD1 4.33Å; L10-L12 PolarHBondContact O-N 3.27Å
11F50.2Low47.7Very low182 Ų182147 Ų14780%0.79883%0.825SS**  trans-7799.2167.6-82.1-82.8000108.5L9 L13L9-F11 PolarHBondContact O-N 2.82Å; F11-L13 PolarHBondContact O-N 3.09Å; F11-L13 VanDerWaalsContact O-N 3.16Å
12L48.8Very low48Very low136 Ų136138.7 Ų138.771%0.71280%0.8SS**  trans-67.1105.8163.2-96.9100.9000108.5L10 L14L10-L12 HydrophobicContact CD2-CD1 4.33Å; L10-L12 PolarHBondContact O-N 3.27Å; L12-L14 HydrophobicContact CB-CD1 4.45Å; L12-L14 PolarHBondContact O-N 3.24Å
13L51.5Low48.2Very low170 Ų170138.3 Ų138.389%0.8980%0.797SS**  trans-69.992.8162.5-78.2152.5000108.1F11 G15F11-L13 PolarHBondContact O-N 3.09Å; F11-L13 VanDerWaalsContact O-N 3.16Å; L13-G15 PolarHBondContact O-N 2.96Å; L13-G15 VanDerWaalsContact O-N 3.09Å
14L49.5Very low48.6Very low145 Ų145138.6 Ų138.676%0.75980%0.799SS**  trans-67.3103.6161-97.790000107.6L12 L16L12-L14 HydrophobicContact CB-CD1 4.45Å; L12-L14 PolarHBondContact O-N 3.24Å; L14-L16 PolarHBondContact O-N 2.98Å
15G49.8Very low48.5Very low68 Ų68136.9 Ų136.970%0.70178%0.781SS**  trans-59.3108.4163.800000108.9L13 S17L13-G15 PolarHBondContact O-N 2.96Å; L13-G15 VanDerWaalsContact O-N 3.09Å; G15-S17 PolarHBondContact O-N 2.89Å
16L52.5Low48.8Very low170 Ų170134.6 Ų134.689%0.8978%0.778SS**  trans-68.986.5163-82.4147.4000107.1L14 W18L14-L16 PolarHBondContact O-N 2.98Å; L16-W18 VanDerWaalsContact C-N 3.28Å; L16-W18 PolarHBondContact O-N 3.47Å
17S51.3Low49.1Very low114 Ų114133.7 Ų133.780%0.79777%0.774SS**  trans-61.997.3161.9-55.30000106.7G15 A19G15-S17 PolarHBondContact O-N 2.89Å; S17-A19 PolarHBondContact O-N 2.89Å
18W52.7Low50.4Low255 Ų255130.8 Ų130.897%0.96675%0.754SS**  trans-61.189.3157.3-99.4-26.4000106.4L16 G20L16-W18 VanDerWaalsContact C-N 3.28Å; L16-W18 PolarHBondContact O-N 3.47Å; W18-G20 PolarHBondContact O-N 2.74Å
19A50.3Low52.2Low88 Ų88132.9 Ų132.973%0.72776%0.755SS**  trans-59.5100.2154.400000104.7S17 L21S17-A19 PolarHBondContact O-N 2.89Å; A19-L21 PolarHBondContact O-N 3.49Å; A19-L21 VanDerWaalsContact O-N 3.08Å
20G49.4Very low54.3Low67 Ų67127.6 Ų127.669%0.69173%0.728SS**  trans-47.9122.8169.500000106.9W18 G22W18-G20 PolarHBondContact O-N 2.74Å; G20-G22 PolarHBondContact O-N 3.15Å
21L47.2Very low56.6Low176 Ų176120.7 Ų120.792%0.92169%0.692SS**  trans-5792.1162.4-77.1146.4000105.1A19 S23A19-L21 PolarHBondContact O-N 3.49Å; A19-L21 VanDerWaalsContact O-N 3.08Å; L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 2.73Å
22G43.2Very low58.7Low64 Ų64114.7 Ų114.766%0.6667%0.671SS**  trans-55.5108.9166.500000104.7G20 S24G20-G22 PolarHBondContact O-N 3.15Å; G22-S24 PolarHBondContact O-N 3.39Å
23S47.8Very low60.9Low108 Ų108112.3 Ų112.376%0.75566%0.656SS**  trans-45.8114166.2174.40000105.7L21 S25L21-S23 VanDerWaalsContact C-N 3.34Å; L21-S23 PolarHBondContact O-N 2.73Å; S23-S25 PolarHBondContact O-N 3.3Å
24S44.5Very low62.9Low120 Ų120109.8 Ų109.884%0.83964%0.644SS**  trans-64.279167.9-70.40000106G22 C26G22-S24 PolarHBondContact O-N 3.39Å; S24-C26 VanDerWaalsContact C-N 3.29Å; S24-C26 PolarHBondContact O-N 3.49Å
25S46.8Very low65.1Low62 Ų62106 Ų10643%0.43462%0.622SS.*  trans-56.6104.2165.9172.70000104.2S23 R27S23-S25 PolarHBondContact O-N 3.3Å; S25-R27 PolarHBondContact O-N 2.78Å
26C48.4Very low67.4Low116 Ų116104.1 Ų104.178%0.78460%0.597SS**  trans-55.4101.8166.8-160.40000104.1S24 V28S24-C26 VanDerWaalsContact C-N 3.29Å; S24-C26 PolarHBondContact O-N 3.49Å; C26-V28 PolarHBondContact O-N 3.11Å
27R59.2Low69.6Low225 Ų22596.8 Ų96.885%0.84956%0.561SS**  trans-58.5109.1-177-80.3-171.9-179-165.70.8105.9S25 Q29S25-R27 PolarHBondContact O-N 2.78Å; R27-Q29 VanDerWaalsContact C-N 3.28Å; R27-Q29 PolarHBondContact O-N 3.41Å
28V70.6Confident71.8Confident51 Ų5193.3 Ų93.331%0.30953%0.53SS..  trans-60.795.2177.21740000106.4C26 I30 F42 Q46C26-V28 PolarHBondContact O-N 3.11Å; V28-I30 PolarHBondContact O-N 3.32Å; V28-F42 HydrophobicContact CG1-CE1 3.7Å; V28-F42 HydrophobicContact CG1-CE2 4.47Å; V28-F42 HydrophobicContact CG1-CZ 3.33Å; V28-Q46 HydrophobicContact CG1-CG 4.34Å
29Q86.5Confident74Confident172 Ų17281.1 Ų81.180%0.80448%0.484SS*.  trans-87.398.8-177.4-171.91756.600108.4R27 F42R27-Q29 VanDerWaalsContact C-N 3.28Å; R27-Q29 PolarHBondContact O-N 3.41Å; Q29-F42 WeakPolarHBondContact O-CE2 3.41Å
30I92.8Very high76.3Confident39 Ų3977 Ų7720%0.245%0.45CS..PPolyproline II helixtrans-58.5141.5173.5-165.8177.5000110.3V28 V39 F42 L110 Y115 A129V28-I30 PolarHBondContact O-N 3.32Å; I30-V39 HydrophobicContact CD1-CG1 4.11Å; I30-V39 HydrophobicContact CG1-CG1 4.44Å; I30-F42 HydrophobicContact CB-CE1 4.14Å; I30-F42 HydrophobicContact CG1-CD1 4.13Å; I30-F42 HydrophobicContact CG1-CE1 4.19Å; I30-L110 HydrophobicContact CD1-CD1 3.65Å; I30-L110 HydrophobicContact CG1-CD1 4.23Å; I30-Y115 HydrophobicContact CB-CE2 4.35Å; I30-Y115 HydrophobicContact CG2-CE2 4.19Å; I30-Y115 WeakPolarHBondContact CG2-OH 3.44Å; I30-A129 HydrophobicContact CD1-CB 3.64Å
31P95.2Very high78.6Confident7 Ų774.3 Ų74.35%0.04542%0.419CS..PPolyproline II helixtrans-57155.2170.6-25.735.6000112.3R38 V39 F42P31-R38 HydrophobicContact CB-CB 3.98Å; P31-R38 HydrophobicContact CG-CB 4.12Å; P31-V39 HydrophobicContact CB-CG2 3.97Å; P31-F42 VanDerWaalsContact CD-CG 3.48Å; P31-F42 HydrophobicContact CG-CB 3.82Å; P31-F42 HydrophobicContact CG-CD2 4.23Å; P31-F42 HydrophobicContact CG-CG 4.1Å
32P95Very high81Confident56 Ų5666.1 Ų66.136%0.36438%0.376SS..PPolyproline II helixtrans-53.2139.3170.8-29.639.4000112.4D34 Q35P32-D34 WeakPolarHBondContact CB-OD1 3.43Å; P32-D34 PolarHBondContact O-N 3.08Å; P32-D34 VanDerWaalsContact O-N 3.17Å; P32-Q35 HydrophobicContact CB-CG 4.48Å; P32-Q35 WeakPolarHBondContact O-CA 3.36Å; P32-Q35 WeakPolarHBondContact O-CB 3.39Å; P32-Q35 PolarHBondContact O-N 3.26Å
33H94.3Very high83.6Confident86 Ų8663.1 Ų63.140%0.39835%0.345SS..THydrogen-bonded Turntrans-68.9-12.1-174.475.879.9000114.2Q35 D182 K188H33-Q35 VanDerWaalsContact C-N 3.26Å; H33-D182 WeakPolarHBondContact CA-OD2 3.47Å; H33-K188 PolarHBondContact O-NZ 2.89Å
34D93.8Very high86Confident116 Ų11658.1 Ų58.162%0.6231%0.31SS*.THydrogen-bonded Turntrans-79.1-12170.163.4-19.2000111.8P32 V36P32-D34 WeakPolarHBondContact CB-OD1 3.43Å; P32-D34 PolarHBondContact O-N 3.08Å; P32-D34 VanDerWaalsContact O-N 3.17Å; D34-V36 PolarHBondContact O-N 3.39Å
35Q96.9Very high88.5Confident65 Ų6552.7 Ų52.730%0.30427%0.271SS..  trans-102.658.5176.7-62.3170.837.400110.6P32 H33 A37 R38 V39P32-Q35 HydrophobicContact CB-CG 4.48Å; P32-Q35 WeakPolarHBondContact O-CA 3.36Å; P32-Q35 WeakPolarHBondContact O-CB 3.39Å; P32-Q35 PolarHBondContact O-N 3.26Å; H33-Q35 VanDerWaalsContact C-N 3.26Å; Q35-A37 VanDerWaalsContact C-N 3.35Å; Q35-A37 PolarHBondContact O-N 3.09Å; Q35-R38 HydrophobicContact CB-CB 4.15Å; Q35-R38 HydrophobicContact CB-CG 4.33Å; Q35-R38 WeakPolarHBondContact O-CA 3.35Å; Q35-R38 WeakPolarHBondContact O-CB 3.47Å; Q35-R38 PolarHBondContact O-N 3.21Å; Q35-V39 PolarHBondContact O-N 3.02Å
36V97.7Very high90.9Very high29 Ų2951.9 Ų51.918%0.17626%0.261CS..Hα-helixtrans-50.9-47-169.2-168.50000113.3D34 R38 V39 A40 V180 K188 V190D34-V36 PolarHBondContact O-N 3.39Å; V36-R38 VanDerWaalsContact C-N 3.3Å; V36-R38 PolarHBondContact O-N 3.33Å; V36-V39 WeakPolarHBondContact O-CB 3.25Å; V36-V39 PolarHBondContact O-N 3.33Å; V36-A40 PolarHBondContact O-N 3.04Å; V36-V180 HydrophobicContact CG1-CB 3.69Å; V36-V180 HydrophobicContact CG1-CG1 4.04Å; V36-V180 HydrophobicContact CG1-CG2 3.74Å; V36-K188 HydrophobicContact CB-CD 4.32Å; V36-K188 HydrophobicContact CG1-CB 3.71Å; V36-K188 HydrophobicContact CG1-CD 3.83Å; V36-K188 HydrophobicContact CG1-CG 4.44Å; V36-K188 HydrophobicContact CG2-CD 3.47Å; V36-K188 VanDerWaalsContact CG2-CD 3.47Å; V36-V190 HydrophobicContact CB-CG2 4Å; V36-V190 HydrophobicContact CG1-CG2 3.45Å; V36-V190 VanDerWaalsContact CG1-CG2 3.45Å
37A98.2Very high93.3Very high17 Ų1746.4 Ų46.414%0.1422%0.224CC..Hα-helixtrans-63.2-35.9178.200000112.7Q35 A40 R41 V190 E194 A198Q35-A37 VanDerWaalsContact C-N 3.35Å; Q35-A37 PolarHBondContact O-N 3.09Å; A37-A40 PolarHBondContact O-N 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.47Å; A37-R41 PolarHBondContact O-N 2.8Å; A37-V190 HydrophobicContact CB-CG1 3.76Å; A37-E194 HydrophobicContact CB-CB 4.29Å; A37-A198 HydrophobicContact CB-CB 3.76Å
38R97.6Very high95.1Very high40 Ų4038.9 Ų38.915%0.15120%0.2CC..Hα-helixtrans-69.5-38.8175-66.4-172.461.6-128.8-16.4111.7P31 Q35 V36 A40 R41 F42 A198 A199 P200P31-R38 HydrophobicContact CB-CB 3.98Å; P31-R38 HydrophobicContact CG-CB 4.12Å; Q35-R38 HydrophobicContact CB-CB 4.15Å; Q35-R38 HydrophobicContact CB-CG 4.33Å; Q35-R38 WeakPolarHBondContact O-CA 3.35Å; Q35-R38 WeakPolarHBondContact O-CB 3.47Å; Q35-R38 PolarHBondContact O-N 3.21Å; V36-R38 VanDerWaalsContact C-N 3.3Å; V36-R38 PolarHBondContact O-N 3.33Å; R38-A40 VanDerWaalsContact C-N 3.31Å; R38-R41 PolarHBondContact O-N 3.15Å; R38-F42 VanDerWaalsContact O-CB 3.24Å; R38-F42 WeakPolarHBondContact O-CB 3.48Å; R38-F42 PolarHBondContact O-N 3.05Å; R38-A198 HydrophobicContact CG-CB 3.94Å; R38-A199 WeakPolarHBondContact CG-O 3.45Å; R38-A199 PolarHBondContact NE-O 2.88Å; R38-P200 PolarHBondContact NH2-O 2.82Å; R38-P200 VanDerWaalsContact NH2-O 3.12Å
39V98.1Very high96.5Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-59.4-45.4173.31750000110.1I30 P31 Q35 V36 R41 F42 I43 A129 V180 D182I30-V39 HydrophobicContact CD1-CG1 4.11Å; I30-V39 HydrophobicContact CG1-CG1 4.44Å; P31-V39 HydrophobicContact CB-CG2 3.97Å; Q35-V39 PolarHBondContact O-N 3.02Å; V36-V39 WeakPolarHBondContact O-CB 3.25Å; V36-V39 PolarHBondContact O-N 3.33Å; V39-R41 PolarHBondContact O-N 3.02Å; V39-F42 WeakPolarHBondContact O-CB 3.39Å; V39-F42 PolarHBondContact O-N 3.48Å; V39-I43 HydrophobicContact CG1-CD1 3.69Å; V39-I43 HydrophobicContact CG1-CG1 4.39Å; V39-I43 WeakPolarHBondContact O-CG1 3.36Å; V39-I43 PolarHBondContact O-N 3Å; V39-A129 HydrophobicContact CG1-CB 4.38Å; V39-V180 HydrophobicContact CB-CG1 4.45Å; V39-V180 HydrophobicContact CG1-CG1 4.04Å; V39-D182 HydrophobicContact CG1-CB 3.84Å
40A98.5Very high97.1Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-59.2-49176.800000112.7V36 A37 R38 F42 I43 A44 I131 V178 V180 Y195V36-A40 PolarHBondContact O-N 3.04Å; A37-A40 PolarHBondContact O-N 3.3Å; R38-A40 VanDerWaalsContact C-N 3.31Å; A40-F42 VanDerWaalsContact C-N 3.28Å; A40-F42 PolarHBondContact O-N 3.04Å; A40-I43 PolarHBondContact O-N 3.27Å; A40-A44 PolarHBondContact O-N 2.86Å; A40-I131 HydrophobicContact CB-CG2 3.92Å; A40-V178 HydrophobicContact CB-CG1 3.95Å; A40-V180 HydrophobicContact CB-CG2 3.74Å; A40-Y195 HydrophobicContact CB-CD2 3.77Å; A40-Y195 HydrophobicContact CB-CE2 3.87Å
41R98.1Very high97.4Very high11 Ų1133 Ų334%0.04217%0.168CC..Hα-helixtrans-61-38.1176.7-74.6-65.9-61.7-860.6112.8A37 R38 V39 H45 S80 S81 G82 Y195 F196 A198 P200A37-R41 WeakPolarHBondContact O-CG 3.47Å; A37-R41 PolarHBondContact O-N 2.8Å; R38-R41 PolarHBondContact O-N 3.15Å; V39-R41 PolarHBondContact O-N 3.02Å; R41-H45 WeakPolarHBondContact O-CB 3.29Å; R41-H45 PolarHBondContact O-N 3.13Å; R41-H45 VanDerWaalsContact O-N 3.1Å; R41-S80 PolarHBondContact NH2-O 2.88Å; R41-S80 VanDerWaalsContact NH2-O 3.08Å; R41-S80 PolarHBondContact NH2-OG 3.32Å; R41-S81 VanDerWaalsContact NH2-C 3.33Å; R41-S81 PolarHBondContact NH2-O 2.79Å; R41-G82 VanDerWaalsContact NE-CA 3.28Å; R41-Y195 VanDerWaalsContact CD-CE2 3.42Å; R41-Y195 WeakPolarHBondContact CD-O 3.41Å; R41-Y195 HydrophobicContact CG-CD2 3.92Å; R41-Y195 HydrophobicContact CG-CE2 3.85Å; R41-Y195 HydrophobicContact CG-CG 4.36Å; R41-Y195 WeakPolarHBondContact CG-O 3.49Å; R41-Y195 PolarHBondContact NH1-O 3.08Å; R41-F196 PolarHBondContact NH1-O 3.5Å; R41-F196 VanDerWaalsContact NH1-O 3.14Å; R41-A198 HydrophobicContact CG-CB 4.09Å; R41-A198 PolarHBondContact NH1-O 2.8Å; R41-P200 HydrophobicContact CB-CB 4.03Å
42F97.6Very high97.5Very high5 Ų532.7 Ų32.72%0.02217%0.166CC..Hα-helixtrans-63.9-49.1176.7-179.7-94.2000111.1V28 Q29 I30 P31 R38 V39 A40 A44 H45 Q46 L110 P200 H201V28-F42 HydrophobicContact CG1-CE1 3.7Å; V28-F42 HydrophobicContact CG1-CE2 4.47Å; V28-F42 HydrophobicContact CG1-CZ 3.33Å; Q29-F42 WeakPolarHBondContact O-CE2 3.41Å; I30-F42 HydrophobicContact CB-CE1 4.14Å; I30-F42 HydrophobicContact CG1-CD1 4.13Å; I30-F42 HydrophobicContact CG1-CE1 4.19Å; P31-F42 VanDerWaalsContact CD-CG 3.48Å; P31-F42 HydrophobicContact CG-CB 3.82Å; P31-F42 HydrophobicContact CG-CD2 4.23Å; P31-F42 HydrophobicContact CG-CG 4.1Å; R38-F42 VanDerWaalsContact O-CB 3.24Å; R38-F42 WeakPolarHBondContact O-CB 3.48Å; R38-F42 PolarHBondContact O-N 3.05Å; V39-F42 WeakPolarHBondContact O-CB 3.39Å; V39-F42 PolarHBondContact O-N 3.48Å; A40-F42 VanDerWaalsContact C-N 3.28Å; A40-F42 PolarHBondContact O-N 3.04Å; F42-A44 PolarHBondContact O-N 2.69Å; F42-H45 PolarHBondContact O-N 2.78Å; F42-Q46 HydrophobicContact CD1-CG 3.92Å; F42-Q46 HydrophobicContact CD2-CG 4.47Å; F42-Q46 HydrophobicContact CE1-CG 3.66Å; F42-Q46 HydrophobicContact CE2-CG 4.25Å; F42-Q46 HydrophobicContact CG-CG 4.34Å; F42-Q46 HydrophobicContact CZ-CG 3.87Å; F42-Q46 VanDerWaalsContact O-CG 3.31Å; F42-Q46 WeakPolarHBondContact O-CG 3.49Å; F42-Q46 PolarHBondContact O-N 2.73Å; F42-L110 HydrophobicContact CD1-CD2 4.38Å; F42-L110 HydrophobicContact CE1-CD1 4.38Å; F42-L110 HydrophobicContact CE1-CD2 4.19Å; F42-P200 HydrophobicContact CB-CB 4.5Å; F42-H201 AromaticContact CE2-CE1 3.99Å
43I98.1Very high97.7Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-60.8-47.4179.4-65.8164000110.6V39 A40 H45 Q46 C47 M108 L110 A129 I131V39-I43 HydrophobicContact CG1-CD1 3.69Å; V39-I43 HydrophobicContact CG1-CG1 4.39Å; V39-I43 WeakPolarHBondContact O-CG1 3.36Å; V39-I43 PolarHBondContact O-N 3Å; A40-I43 PolarHBondContact O-N 3.27Å; I43-H45 PolarHBondContact O-N 3.5Å; I43-Q46 PolarHBondContact O-N 3.08Å; I43-Q46 VanDerWaalsContact O-N 3.12Å; I43-C47 PolarHBondContact O-N 3.17Å; I43-C47 PolarHBondContact O-SG 3.28Å; I43-M108 HydrophobicContact CG2-CB 4.01Å; I43-L110 HydrophobicContact CG1-CD1 4.41Å; I43-L110 HydrophobicContact CG1-CD2 3.98Å; I43-L110 HydrophobicContact CG1-CG 3.97Å; I43-A129 HydrophobicContact CD1-CB 3.79Å; I43-I131 HydrophobicContact CB-CD1 4.09Å; I43-I131 HydrophobicContact CB-CG1 4.35Å; I43-I131 HydrophobicContact CB-CG2 4.27Å; I43-I131 HydrophobicContact CD1-CG2 3.79Å; I43-I131 HydrophobicContact CG2-CD1 3.92Å; I43-I131 HydrophobicContact CG2-CG1 3.81Å; I43-I131 HydrophobicContact CG2-CG2 4.43Å
44A98.2Very high97.9Very high3 Ų327.8 Ų27.83%0.02515%0.145CC..Hα-helixtrans-58-35.9177.400000112.9A40 F42 M108 I131 Y195A40-A44 PolarHBondContact O-N 2.86Å; F42-A44 PolarHBondContact O-N 2.69Å; A44-M108 HydrophobicContact CB-CE 4.43Å; A44-I131 HydrophobicContact CB-CD1 3.99Å; A44-Y195 VanDerWaalsContact CB-OH 3.29Å; A44-Y195 WeakPolarHBondContact CB-OH 3.41Å
45H97.8Very high98.2Very high6 Ų625.6 Ų25.63%0.02813%0.132CC..Hα-helixtrans-80.8-26.2176.9-168.759000113.8R41 F42 I43 D74 P76 T79 R155 H201R41-H45 WeakPolarHBondContact O-CB 3.29Å; R41-H45 PolarHBondContact O-N 3.13Å; R41-H45 VanDerWaalsContact O-N 3.1Å; F42-H45 PolarHBondContact O-N 2.78Å; I43-H45 PolarHBondContact O-N 3.5Å; H45-D74 WeakPolarHBondContact CA-OD1 3.32Å; H45-D74 IonicContact CE1-OD1 3.74Å; H45-D74 IonicContact CG-OD1 3.53Å; H45-D74 IonicContact ND1-OD1 2.69Å; H45-D74 PolarHBondContact ND1-OD1 2.93Å; H45-D74 IonicContact ND1-OD2 3.91Å; H45-P76 PolarHBondContact CE1-O 2.81Å; H45-T79 PolarHBondContact CE1-O 2.67Å; H45-R155 PolarHBondContact O-NH1 3.03Å; H45-R155 PolarHBondContact O-NH2 3.29Å; H45-H201 AromaticContact CD2-NE2 3.36Å; H45-H201 PolarHBondContact CD2-NE2 3.4Å; H45-H201 AromaticContact NE2-NE2 3.97Å
46Q96.6Very high98.2Very high46 Ų4622.7 Ų22.722%0.21512%0.119CC..Hα-helixtrans-79.2-30.7178-69.9-52.4-56.100112.5V28 F42 I43 L110 T113 R155V28-Q46 HydrophobicContact CG1-CG 4.34Å; F42-Q46 HydrophobicContact CD1-CG 3.92Å; F42-Q46 HydrophobicContact CD2-CG 4.47Å; F42-Q46 HydrophobicContact CE1-CG 3.66Å; F42-Q46 HydrophobicContact CE2-CG 4.25Å; F42-Q46 HydrophobicContact CG-CG 4.34Å; F42-Q46 HydrophobicContact CZ-CG 3.87Å; F42-Q46 VanDerWaalsContact O-CG 3.31Å; F42-Q46 WeakPolarHBondContact O-CG 3.49Å; F42-Q46 PolarHBondContact O-N 2.73Å; I43-Q46 PolarHBondContact O-N 3.08Å; I43-Q46 VanDerWaalsContact O-N 3.12Å; Q46-L110 HydrophobicContact CB-CD2 4.18Å; Q46-L110 HydrophobicContact CG-CD2 4.4Å; Q46-T113 HydrophobicContact CB-CG2 4.29Å; Q46-R155 PolarHBondContact O-NH2 3.41Å
47C97.9Very high98.3Very high1 Ų123.2 Ų23.21%0.00712%0.124CC..  trans-85.5128.3-174.2-590000112.1I43 M108 Q112I43-C47 PolarHBondContact O-N 3.17Å; I43-C47 PolarHBondContact O-SG 3.28Å; C47-M108 HydrophobicContact CB-CB 4.12Å; C47-M108 HydrophobicContact CB-CG 4.02Å; C47-M108 HydrophobicContact CB-SD 4Å; C47-Q112 PolarHBondContact SG-OE1 3.27Å; C47-Q112 VanDerWaalsContact SG-OE1 3.41Å
48D98.5Very high98.3Very high66 Ų6625.1 Ų25.135%0.35313%0.13SC..SBendtrans-84.9-15.6175.4-71.9-51.4000113.3S71 V72 R155 H156D48-S71 WeakPolarHBondContact O-CA 3.31Å; D48-V72 PolarHBondContact O-N 3.45Å; D48-R155 VanDerWaalsContact CG-NH2 3.33Å; D48-R155 IonicContact OD1-CZ 3.98Å; D48-R155 IonicContact OD1-NE 3.04Å; D48-R155 PolarHBondContact OD1-NE 3.39Å; D48-R155 IonicContact OD1-NH2 2.72Å; D48-R155 PolarHBondContact OD1-NH2 3.39Å; D48-R155 IonicContact OD2-NH2 2.85Å; D48-H156 PolarHBondContact O-CE1 2.77Å; D48-H156 PolarHBondContact O-NE2 3.13Å
49W98.8Very high98.3Very high104 Ų10432.5 Ų32.539%0.39416%0.163SC..EExtended strand (participates in β ladder)trans-141.2164178.764.4-86.7000110.6V69 F70 Q112W49-V69 HydrophobicContact CB-CG1 4.4Å; W49-V69 HydrophobicContact CD2-CG1 4.2Å; W49-V69 HydrophobicContact CE3-CG1 3.76Å; W49-V69 HydrophobicContact CE3-CG2 4.41Å; W49-V69 HydrophobicContact CZ3-CG1 4.41Å; W49-V69 HydrophobicContact CZ3-CG2 4.27Å; W49-F70 CarbonylContact C-O 3.46Å; W49-F70 WeakPolarHBondContact CA-O 3.43Å; W49-F70 WeakPolarHBondContact CB-O 3.44Å; W49-Q112 HydrophobicContact CH2-CG 4.18Å; W49-Q112 HydrophobicContact CZ2-CB 4.41Å; W49-Q112 HydrophobicContact CZ2-CG 3.58Å; W49-Q112 PolarHBondContact O-NE2 3.37Å
50A98.8Very high98.2Very high0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-136.2149.9174.200000110.1F70 V72 L106 M108A50-F70 PolarHBondContact N-O 3.42Å; A50-F70 PolarHBondContact O-N 2.82Å; A50-V72 HydrophobicContact CB-CG1 4.01Å; A50-V72 HydrophobicContact CB-CG2 4.34Å; A50-L106 HydrophobicContact CB-CB 4.25Å; A50-L106 HydrophobicContact CB-CD2 4.09Å; A50-M108 HydrophobicContact CB-CG 3.62Å; A50-M108 HydrophobicContact CB-SD 4.19Å
51S98.8Very high98.2Very high36 Ų3640.7 Ų40.725%0.25222%0.215SC..EExtended strand (participates in β ladder)trans-80.3118.3161.9-1720000108.2S67 N68 L106 S107S51-S67 PolarHBondContact OG-OG 2.82Å; S51-N68 CarbonylContact C-O 3.59Å; S51-N68 WeakPolarHBondContact CA-O 3.46Å; S51-L106 CarbonylContact O-C 3.56Å; S51-L106 WeakPolarHBondContact O-CA 3.19Å; S51-S107 PolarHBondContact N-O 3.37Å; S51-S107 PolarHBondContact O-N 2.95Å
52M98.8Very high98.3Very high0 Ų044.4 Ų44.40%024%0.239CC..EExtended strand (participates in β ladder)trans-101.6125.4175.2-173.2-174.9-63.800109.9T54 S67 N68 F70 M86 L98 A104 S105 L106 V137M52-T54 HydrophobicContact CG-CG2 4.29Å; M52-T54 HydrophobicContact SD-CG2 4.12Å; M52-S67 CarbonylContact O-C 3.55Å; M52-S67 VanDerWaalsContact O-CA 3.31Å; M52-S67 WeakPolarHBondContact O-CA 3.18Å; M52-N68 PolarHBondContact N-O 3.25Å; M52-N68 PolarHBondContact O-N 2.95Å; M52-F70 HydrophobicContact CB-CD2 3.43Å; M52-F70 VanDerWaalsContact CB-CD2 3.43Å; M52-F70 HydrophobicContact CB-CE2 3.7Å; M52-F70 HydrophobicContact CB-CG 4.46Å; M52-F70 HydrophobicContact CE-CB 4.5Å; M52-F70 HydrophobicContact CE-CD1 4.39Å; M52-F70 HydrophobicContact CE-CD2 3.91Å; M52-F70 HydrophobicContact CE-CE2 4.19Å; M52-F70 HydrophobicContact CE-CG 4Å; M52-F70 HydrophobicContact CG-CD2 4.34Å; M52-F70 HydrophobicContact CG-CE2 4.3Å; M52-F70 HydrophobicContact SD-CD2 4.09Å; M52-F70 HydrophobicContact SD-CE2 3.83Å; M52-F70 HydrophobicContact SD-CZ 4.25Å; M52-M86 HydrophobicContact CE-SD 3.41Å; M52-M86 WeakPolarHBondContact CE-SD 3.37Å; M52-L98 HydrophobicContact SD-CD1 3.94Å; M52-A104 HydrophobicContact CG-CB 4.09Å; M52-A104 HydrophobicContact SD-CB 4.35Å; M52-S105 CarbonylContact C-O 3.47Å; M52-S105 WeakPolarHBondContact CA-O 3.26Å; M52-L106 HydrophobicContact CB-CD2 3.6Å; M52-L106 HydrophobicContact CE-CD2 3.77Å; M52-L106 HydrophobicContact CG-CD2 3.71Å; M52-V137 HydrophobicContact CE-CG2 3.78Å; M52-V137 HydrophobicContact SD-CG2 4.06Å
53A98.8Very high98.3Very high35 Ų3546.5 Ų46.529%0.28926%0.262SS..EExtended strand (participates in β ladder)trans-97.1125.7169.200000110.5F66 A104 S105A53-F66 CarbonylContact C-O 3.5Å; A53-F66 VanDerWaalsContact CA-O 3.22Å; A53-F66 WeakPolarHBondContact CA-O 3.22Å; A53-A104 WeakPolarHBondContact O-CA 3.36Å; A53-A104 WeakPolarHBondContact O-CB 3.17Å; A53-S105 PolarHBondContact N-O 3.17Å; A53-S105 PolarHBondContact O-N 3.37Å
54T98.8Very high98.3Very high3 Ų351.5 Ų51.52%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-117.6175.8171.658.30000110.4M52 P65 F66 D97 L98 A104M52-T54 HydrophobicContact CG-CG2 4.29Å; M52-T54 HydrophobicContact SD-CG2 4.12Å; T54-P65 WeakPolarHBondContact O-CA 3.23Å; T54-F66 PolarHBondContact N-O 3.48Å; T54-F66 PolarHBondContact O-N 3.12Å; T54-D97 HydrophobicContact CG2-CB 4.48Å; T54-D97 PolarHBondContact OG1-OD2 3.14Å; T54-L98 HydrophobicContact CG2-CD1 4.4Å; T54-L98 HydrophobicContact CG2-CD2 4.07Å; T54-L98 HydrophobicContact CG2-CG 3.93Å; T54-A104 HydrophobicContact CG2-CB 4.45Å
55I98.8Very high98.3Very high70 Ų7056.6 Ų56.636%0.35932%0.319SS..EExtended strand (participates in β ladder)trans-102.8119.2169.2-57.9-58.3000108.5S57 D97I55-S57 PolarHBondContact O-N 3.5Å; I55-D97 WeakPolarHBondContact O-CB 3.44Å
56S98.6Very high98.4Very high5 Ų559.5 Ų59.54%0.03533%0.331CS..  trans-63.6132.8-174.1-166.20000112.4H58 V62 G63 Q64 D97S56-H58 PolarHBondContact OG-N 3.04Å; S56-V62 CarbonylContact O-C 3.45Å; S56-V62 WeakPolarHBondContact O-CA 3.4Å; S56-G63 PolarHBondContact O-N 2.83Å; S56-Q64 PolarHBondContact N-O 2.84Å; S56-D97 WeakPolarHBondContact CA-OD1 3.21Å; S56-D97 WeakPolarHBondContact CA-OD2 3.44Å
57S98.6Very high98.4Very high39 Ų3960.9 Ų60.927%0.27335%0.346SS..  trans-97.2-2.4170.263.70000112.4I55 D97I55-S57 PolarHBondContact O-N 3.5Å; S57-D97 WeakPolarHBondContact CB-OD1 3.2Å; S57-D97 PolarHBondContact N-OD1 3.44Å; S57-D97 PolarHBondContact OG-OD1 3.03Å
58H98.2Very high98.5Very high58 Ų5863.4 Ų63.427%0.26936%0.36SS..SBendtrans-103.6138.3-169.9-61.8-73.4000112.9S56 V61 V62 V93 Q96 D97S56-H58 PolarHBondContact OG-N 3.04Å; H58-V61 CarbonylContact O-C 3.49Å; H58-V61 PolarHBondContact O-N 3.4Å; H58-V61 VanDerWaalsContact O-N 3.07Å; H58-V62 VanDerWaalsContact C-CG2 3.48Å; H58-V62 WeakPolarHBondContact O-CG2 3.31Å; H58-V62 PolarHBondContact O-N 3.44Å; H58-V62 VanDerWaalsContact O-N 3.09Å; H58-V93 WeakPolarHBondContact CD2-CG2 3.45Å; H58-V93 WeakPolarHBondContact NE2-CG2 3.19Å; H58-V93 PolarHBondContact NE2-O 3.34Å; H58-Q96 PolarHBondContact CE1-OE1 2.91Å; H58-Q96 PolarHBondContact NE2-OE1 3.5Å; H58-D97 IonicContact CD2-OD1 2.68Å; H58-D97 PolarHBondContact CD2-OD1 3.28Å; H58-D97 IonicContact NE2-OD1 2.64Å; H58-D97 PolarHBondContact NE2-OD1 2.74Å
59K97.5Very high98.5Very high194 Ų19464.5 Ų64.584%0.84337%0.368SS*.THydrogen-bonded Turntrans-68.8146.1171.5-70.7-177.7-178.9177.70110.3V62K59-V62 HydrophobicContact CG-CG2 4.06Å
60P97.4Very high98.5Very high124 Ų12460.1 Ų60.181%0.80535%0.352SS*.THydrogen-bonded Turncis-91.17.24.735.9-34.6000114.7
61V98.1Very high98.5Very high48 Ų4862 Ų6229%0.29137%0.365SS..SBendtrans-110.125.1-167.2-64.40000113.7H58 G63 Q64H58-V61 CarbonylContact O-C 3.49Å; H58-V61 PolarHBondContact O-N 3.4Å; H58-V61 VanDerWaalsContact O-N 3.07Å; V61-G63 PolarHBondContact O-N 2.79Å; V61-Q64 HydrophobicContact CB-CB 4.22Å; V61-Q64 HydrophobicContact CB-CG 4.21Å; V61-Q64 VanDerWaalsContact O-CB 3.25Å; V61-Q64 WeakPolarHBondContact O-CB 3.48Å; V61-Q64 WeakPolarHBondContact O-CG 3.48Å; V61-Q64 PolarHBondContact O-N 2.79Å
62V98.6Very high98.5Very high89 Ų8960.3 Ų60.354%0.53935%0.353SS..THydrogen-bonded Turntrans-51129.3179.1-177.10000110.7S56 H58 K59 Q64S56-V62 CarbonylContact O-C 3.45Å; S56-V62 WeakPolarHBondContact O-CA 3.4Å; H58-V62 VanDerWaalsContact C-CG2 3.48Å; H58-V62 WeakPolarHBondContact O-CG2 3.31Å; H58-V62 PolarHBondContact O-N 3.44Å; H58-V62 VanDerWaalsContact O-N 3.09Å; K59-V62 HydrophobicContact CG-CG2 4.06Å; V62-Q64 VanDerWaalsContact C-N 3.33Å
63G98.4Very high98.5Very high50 Ų5060.3 Ų60.352%0.51535%0.353SS..THydrogen-bonded Turntrans84.6-5.9-178.900000115.3S56 V61S56-G63 PolarHBondContact O-N 2.83Å; V61-G63 PolarHBondContact O-N 2.79Å
64Q98.7Very high98.4Very high104 Ų10458.8 Ų58.849%0.48634%0.34SS..SBendtrans-83.5151.8175.9-60.9-17613.600111.6S56 V61 V62 F66S56-Q64 PolarHBondContact N-O 2.84Å; V61-Q64 HydrophobicContact CB-CB 4.22Å; V61-Q64 HydrophobicContact CB-CG 4.21Å; V61-Q64 VanDerWaalsContact O-CB 3.25Å; V61-Q64 WeakPolarHBondContact O-CB 3.48Å; V61-Q64 WeakPolarHBondContact O-CG 3.48Å; V61-Q64 PolarHBondContact O-N 2.79Å; V62-Q64 VanDerWaalsContact C-N 3.33Å; Q64-F66 PolarHBondContact O-N 3Å
65P98.4Very high98.4Very high111 Ų11158.6 Ų58.672%0.72134%0.339SS*.EExtended strand (participates in β ladder)trans-63.8133.5171.427.5-34.2000110.3T54T54-P65 WeakPolarHBondContact O-CA 3.23Å
66F98.5Very high98.2Very high66 Ų6656.2 Ų56.229%0.28933%0.328SS..EExtended strand (participates in β ladder)trans-123.1124.5177.9-174.7-100.4000109.1A53 T54 Q64 N68 V93A53-F66 CarbonylContact C-O 3.5Å; A53-F66 VanDerWaalsContact CA-O 3.22Å; A53-F66 WeakPolarHBondContact CA-O 3.22Å; T54-F66 PolarHBondContact N-O 3.48Å; T54-F66 PolarHBondContact O-N 3.12Å; Q64-F66 PolarHBondContact O-N 3Å; F66-N68 HydrophobicContact CD1-CB 4.43Å; F66-N68 HydrophobicContact CE1-CB 3.89Å; F66-V93 HydrophobicContact CE1-CG1 3.64Å; F66-V93 HydrophobicContact CZ-CG1 3.88Å
67S98.1Very high97.8Very high76 Ų7662.7 Ų62.753%0.53136%0.358SS..EExtended strand (participates in β ladder)trans-111.9127.7-177.7-161.50000109.7S51 M52S51-S67 PolarHBondContact OG-OG 2.82Å; M52-S67 CarbonylContact O-C 3.55Å; M52-S67 VanDerWaalsContact O-CA 3.31Å; M52-S67 WeakPolarHBondContact O-CA 3.18Å
68N98.3Very high97.2Very high54 Ų5463.9 Ų63.929%0.28938%0.376SS..EExtended strand (participates in β ladder)trans-137.9164.4178.2-162.313.3000111.9S51 M52 F66 F70 E92 S94S51-N68 CarbonylContact C-O 3.59Å; S51-N68 WeakPolarHBondContact CA-O 3.46Å; M52-N68 PolarHBondContact N-O 3.25Å; M52-N68 PolarHBondContact O-N 2.95Å; F66-N68 HydrophobicContact CD1-CB 4.43Å; F66-N68 HydrophobicContact CE1-CB 3.89Å; N68-F70 HydrophobicContact CB-CE2 3.92Å; N68-E92 PolarHBondContact ND2-OE1 2.88Å; N68-S94 WeakPolarHBondContact CB-OG 3.37Å; N68-S94 PolarHBondContact ND2-OG 3.41Å
69V98.7Very high96.9Very high88 Ų8865.1 Ų65.153%0.53339%0.388SS..EExtended strand (participates in β ladder)trans-94.9130.6-178.1176.30000110.4W49W49-V69 HydrophobicContact CB-CG1 4.4Å; W49-V69 HydrophobicContact CD2-CG1 4.2Å; W49-V69 HydrophobicContact CE3-CG1 3.76Å; W49-V69 HydrophobicContact CE3-CG2 4.41Å; W49-V69 HydrophobicContact CZ3-CG1 4.41Å; W49-V69 HydrophobicContact CZ3-CG2 4.27Å
70F98.8Very high96.8Very high13 Ų1357.1 Ų57.16%0.05736%0.356CS..EExtended strand (participates in β ladder)trans-129.4131.4175.2-71.6-92.2000111.2W49 A50 M52 N68 L88 E92W49-F70 CarbonylContact C-O 3.46Å; W49-F70 WeakPolarHBondContact CA-O 3.43Å; W49-F70 WeakPolarHBondContact CB-O 3.44Å; A50-F70 PolarHBondContact N-O 3.42Å; A50-F70 PolarHBondContact O-N 2.82Å; M52-F70 HydrophobicContact CB-CD2 3.43Å; M52-F70 VanDerWaalsContact CB-CD2 3.43Å; M52-F70 HydrophobicContact CB-CE2 3.7Å; M52-F70 HydrophobicContact CB-CG 4.46Å; M52-F70 HydrophobicContact CE-CB 4.5Å; M52-F70 HydrophobicContact CE-CD1 4.39Å; M52-F70 HydrophobicContact CE-CD2 3.91Å; M52-F70 HydrophobicContact CE-CE2 4.19Å; M52-F70 HydrophobicContact CE-CG 4Å; M52-F70 HydrophobicContact CG-CD2 4.34Å; M52-F70 HydrophobicContact CG-CE2 4.3Å; M52-F70 HydrophobicContact SD-CD2 4.09Å; M52-F70 HydrophobicContact SD-CE2 3.83Å; M52-F70 HydrophobicContact SD-CZ 4.25Å; N68-F70 HydrophobicContact CB-CE2 3.92Å; F70-L88 HydrophobicContact CD1-CD2 3.53Å; F70-L88 HydrophobicContact CE1-CD2 3.63Å; F70-E92 HydrophobicContact CE1-CG 4.12Å; F70-E92 VanDerWaalsContact CZ-CD 3.43Å; F70-E92 HydrophobicContact CZ-CG 4.27Å; F70-E92 VanDerWaalsContact CZ-OE2 3.31Å; F70-E92 WeakPolarHBondContact CZ-OE2 3.22Å
71S98.8Very high96.8Very high38 Ų3852.9 Ų52.927%0.26633%0.33SS..EExtended strand (participates in β ladder)trans-63133.8164.7-67.80000110D48D48-S71 WeakPolarHBondContact O-CA 3.31Å
72V98.8Very high96.7Very high2 Ų250.6 Ų50.61%0.01232%0.316CS..  trans-132.2158.2179.5-59.60000111.4D48 A50 P84 Y85 M86 M108 H156D48-V72 PolarHBondContact O-N 3.45Å; A50-V72 HydrophobicContact CB-CG1 4.01Å; A50-V72 HydrophobicContact CB-CG2 4.34Å; V72-P84 HydrophobicContact CB-CB 4.48Å; V72-Y85 VanDerWaalsContact CA-O 3.27Å; V72-Y85 WeakPolarHBondContact CA-O 3.5Å; V72-M86 HydrophobicContact CG1-CG 3.92Å; V72-M108 HydrophobicContact CG2-SD 4.26Å; V72-H156 PolarHBondContact O-NE2 3.43Å
73S98.7Very high96.7Very high0 Ų047.5 Ų47.50%030%0.297CS..BIsolated β-bridgetrans-150.1132.3168.3177.50000109.2G75 Y85 A151 R155S73-G75 PolarHBondContact OG-N 3.08Å; S73-G75 PolarHBondContact OG-O 3.18Å; S73-Y85 PolarHBondContact N-O 2.82Å; S73-Y85 VanDerWaalsContact N-O 3.08Å; S73-Y85 WeakPolarHBondContact O-CB 3.12Å; S73-Y85 WeakPolarHBondContact O-CD2 3.48Å; S73-Y85 PolarHBondContact O-N 2.82Å; S73-A151 WeakPolarHBondContact CB-O 3.36Å; S73-A151 PolarHBondContact OG-O 2.9Å; S73-R155 WeakPolarHBondContact OG-CD 3.3Å
74D98.4Very high96.8Very high2 Ų245.2 Ų45.21%0.01127%0.273CS..SBendtrans-96.42.317185.2-30.7000113.7H45 S80 S81 G82 V83H45-D74 WeakPolarHBondContact CA-OD1 3.32Å; H45-D74 IonicContact CE1-OD1 3.74Å; H45-D74 IonicContact CG-OD1 3.53Å; H45-D74 IonicContact ND1-OD1 2.69Å; H45-D74 PolarHBondContact ND1-OD1 2.93Å; H45-D74 IonicContact ND1-OD2 3.91Å; D74-S80 VanDerWaalsContact OD2-CB 3.27Å; D74-S80 WeakPolarHBondContact OD2-CB 3.23Å; D74-S80 PolarHBondContact OD2-OG 2.8Å; D74-S81 WeakPolarHBondContact O-CB 3.48Å; D74-S81 PolarHBondContact O-N 3.14Å; D74-S81 PolarHBondContact O-OG 3.33Å; D74-G82 VanDerWaalsContact OD2-CA 3.31Å; D74-G82 WeakPolarHBondContact OD2-CA 3.27Å; D74-G82 PolarHBondContact OD2-N 3.08Å; D74-V83 WeakPolarHBondContact CA-O 3.23Å; D74-V83 WeakPolarHBondContact CB-O 3.45Å
75G97.8Very high96.8Very high0 Ų040.9 Ų40.90%025%0.253CS..SBendtrans154.3166.5-18000000112.4S73 T79S73-G75 PolarHBondContact OG-N 3.08Å; S73-G75 PolarHBondContact OG-O 3.18Å; G75-T79 CarbonylContact C-O 3.55Å; G75-T79 VanDerWaalsContact C-O 3.3Å; G75-T79 VanDerWaalsContact CA-O 3.25Å; G75-T79 WeakPolarHBondContact CA-O 3.4Å
76P95.8Very high96.8Very high20 Ų2035.6 Ų35.613%0.1322%0.218CC..SBendtrans-61.7163.1174.1-20.733.2000113.1H45 G78 T79 K150 S154H45-P76 PolarHBondContact CE1-O 2.81Å; P76-G78 PolarHBondContact O-N 2.86Å; P76-G78 VanDerWaalsContact O-N 3.17Å; P76-T79 CarbonylContact O-C 3.51Å; P76-T79 PolarHBondContact O-N 2.96Å; P76-K150 HydrophobicContact CG-CD 4.37Å; P76-K150 HydrophobicContact CG-CG 4.11Å; P76-S154 VanDerWaalsContact CA-OG 3.29Å; P76-S154 WeakPolarHBondContact CA-OG 3.39Å
77H88.6Confident96.8Very high140 Ų14034.4 Ų34.465%0.64821%0.212SC*.THydrogen-bonded Turntrans-48.9126.1175.2-69.9-72.5000112.2T79H77-T79 VanDerWaalsContact C-N 3.29Å; H77-T79 PolarHBondContact O-N 2.91Å
78G86.8Confident96.8Very high64 Ų6431.1 Ų31.166%0.6619%0.189SC*.THydrogen-bonded Turntrans82.9-6.8179.500000115.3P76P76-G78 PolarHBondContact O-N 2.86Å; P76-G78 VanDerWaalsContact O-N 3.17Å
79T91.8Very high96.8Very high85 Ų8529.1 Ų29.152%0.52118%0.178SC..  trans-127.9118.6174.9-55.70000110.3H45 G75 P76 H77H45-T79 PolarHBondContact CE1-O 2.67Å; G75-T79 CarbonylContact C-O 3.55Å; G75-T79 VanDerWaalsContact C-O 3.3Å; G75-T79 VanDerWaalsContact CA-O 3.25Å; G75-T79 WeakPolarHBondContact CA-O 3.4Å; P76-T79 CarbonylContact O-C 3.51Å; P76-T79 PolarHBondContact O-N 2.96Å; H77-T79 VanDerWaalsContact C-N 3.29Å; H77-T79 PolarHBondContact O-N 2.91Å
80S95.4Very high96.8Very high25 Ų2529 Ų2918%0.17517%0.171CC..  trans-119.7127.9-179.6158.40000110.6R41 D74 G82R41-S80 PolarHBondContact NH2-O 2.88Å; R41-S80 VanDerWaalsContact NH2-O 3.08Å; R41-S80 PolarHBondContact NH2-OG 3.32Å; D74-S80 VanDerWaalsContact OD2-CB 3.27Å; D74-S80 WeakPolarHBondContact OD2-CB 3.23Å; D74-S80 PolarHBondContact OD2-OG 2.8Å; S80-G82 PolarHBondContact OG-N 2.89Å
81S96.7Very high96.8Very high36 Ų3634.1 Ų34.125%0.25220%0.197SC..  trans-86.5-23.4165.970.40000112.5R41 D74 V83R41-S81 VanDerWaalsContact NH2-C 3.33Å; R41-S81 PolarHBondContact NH2-O 2.79Å; D74-S81 WeakPolarHBondContact O-CB 3.48Å; D74-S81 PolarHBondContact O-N 3.14Å; D74-S81 PolarHBondContact O-OG 3.33Å; S81-V83 PolarHBondContact O-N 2.98Å; S81-V83 PolarHBondContact OG-N 3.33Å; S81-V83 VanDerWaalsContact OG-N 3.13Å
82G97.8Very high96.8Very high0 Ų034 Ų340%019%0.193CC..SBendtrans81.4-10.6-169.400000114.3R41 D74 S80 P84 Y195R41-G82 VanDerWaalsContact NE-CA 3.28Å; D74-G82 VanDerWaalsContact OD2-CA 3.31Å; D74-G82 WeakPolarHBondContact OD2-CA 3.27Å; D74-G82 PolarHBondContact OD2-N 3.08Å; S80-G82 PolarHBondContact OG-N 2.89Å; G82-P84 WeakPolarHBondContact O-CD 3.2Å; G82-Y195 WeakPolarHBondContact O-CE1 3.34Å; G82-Y195 VanDerWaalsContact O-CZ 3.32Å; G82-Y195 PolarHBondContact O-OH 3.01Å
83V98.6Very high96.7Very high23 Ų2336.3 Ų36.314%0.13921%0.207CC..  trans-86.1115.7177.9178.90000109.4D74 S81 Y85 K172 F196D74-V83 WeakPolarHBondContact CA-O 3.23Å; D74-V83 WeakPolarHBondContact CB-O 3.45Å; S81-V83 PolarHBondContact O-N 2.98Å; S81-V83 PolarHBondContact OG-N 3.33Å; S81-V83 VanDerWaalsContact OG-N 3.13Å; V83-Y85 HydrophobicContact CB-CD2 4.5Å; V83-Y85 HydrophobicContact CB-CE2 3.84Å; V83-Y85 HydrophobicContact CG1-CD2 4.44Å; V83-Y85 HydrophobicContact CG1-CE1 4.07Å; V83-Y85 HydrophobicContact CG1-CE2 3.95Å; V83-Y85 WeakPolarHBondContact O-CD2 3.34Å; V83-Y85 WeakPolarHBondContact O-CE2 3.36Å; V83-Y85 PolarHBondContact O-N 3.12Å; V83-Y85 VanDerWaalsContact O-N 3.15Å; V83-K172 HydrophobicContact CG1-CB 3.72Å; V83-K172 HydrophobicContact CG1-CD 4.24Å; V83-K172 HydrophobicContact CG1-CG 4.47Å; V83-F196 HydrophobicContact CG2-CE1 3.59Å; V83-F196 HydrophobicContact CG2-CZ 4.06Å
84P98.8Very high96.7Very high3 Ų336.3 Ų36.32%0.01921%0.207CC..  trans-67.9113.7173.9-15.730.1000109.8V72 G82 M86 L106 L133 K172 F173V72-P84 HydrophobicContact CB-CB 4.48Å; G82-P84 WeakPolarHBondContact O-CD 3.2Å; P84-M86 WeakPolarHBondContact O-CE 3.41Å; P84-L106 HydrophobicContact CB-CD1 3.93Å; P84-L106 HydrophobicContact CG-CD1 4.02Å; P84-L133 HydrophobicContact CG-CD1 3.86Å; P84-K172 CarbonylContact O-C 3.07Å; P84-K172 WeakPolarHBondContact O-CA 3.44Å; P84-F173 HydrophobicContact CB-CB 4.01Å; P84-F173 HydrophobicContact CG-CB 4.06Å; P84-F173 PolarHBondContact O-N 2.92Å
85Y98.9Very high96.7Very high13 Ų1336.5 Ų36.55%0.05121%0.208CC..EExtended strand (participates in β ladder)trans-93.2151.2169.5-64.7-79.4000110.4V72 S73 V83 E144 F147 A148 L152 A171 K172V72-Y85 VanDerWaalsContact CA-O 3.27Å; V72-Y85 WeakPolarHBondContact CA-O 3.5Å; S73-Y85 PolarHBondContact N-O 2.82Å; S73-Y85 VanDerWaalsContact N-O 3.08Å; S73-Y85 WeakPolarHBondContact O-CB 3.12Å; S73-Y85 WeakPolarHBondContact O-CD2 3.48Å; S73-Y85 PolarHBondContact O-N 2.82Å; V83-Y85 HydrophobicContact CB-CD2 4.5Å; V83-Y85 HydrophobicContact CB-CE2 3.84Å; V83-Y85 HydrophobicContact CG1-CD2 4.44Å; V83-Y85 HydrophobicContact CG1-CE1 4.07Å; V83-Y85 HydrophobicContact CG1-CE2 3.95Å; V83-Y85 WeakPolarHBondContact O-CD2 3.34Å; V83-Y85 WeakPolarHBondContact O-CE2 3.36Å; V83-Y85 PolarHBondContact O-N 3.12Å; V83-Y85 VanDerWaalsContact O-N 3.15Å; Y85-E144 HydrophobicContact CE1-CG 4.05Å; Y85-E144 PolarHBondContact OH-OE1 3.09Å; Y85-F147 HydrophobicContact CD2-CD1 4.41Å; Y85-F147 HydrophobicContact CD2-CE1 4.33Å; Y85-F147 AromaticContact CE2-CD1 3.69Å; Y85-F147 HydrophobicContact CE2-CD1 3.69Å; Y85-F147 AromaticContact CE2-CE1 3.64Å; Y85-F147 HydrophobicContact CE2-CE1 3.64Å; Y85-F147 AromaticContact CZ-CD1 3.96Å; Y85-A148 HydrophobicContact CD1-CB 3.38Å; Y85-A148 HydrophobicContact CE1-CB 3.91Å; Y85-A148 HydrophobicContact CG-CB 3.75Å; Y85-L152 WeakPolarHBondContact O-CD2 3.24Å; Y85-A171 CarbonylContact C-O 3.52Å; Y85-A171 VanDerWaalsContact CA-O 3.25Å; Y85-A171 WeakPolarHBondContact CA-O 3.36Å; Y85-K172 HydrophobicContact CD1-CB 3.79Å; Y85-K172 HydrophobicContact CE1-CB 3.77Å
86M98.8Very high96.8Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-136.2153.5178.1-64.7142.2-7600110.3M52 V72 P84 L88 V137 L152 A171 K172 F173M52-M86 HydrophobicContact CE-SD 3.41Å; M52-M86 WeakPolarHBondContact CE-SD 3.37Å; V72-M86 HydrophobicContact CG1-CG 3.92Å; P84-M86 WeakPolarHBondContact O-CE 3.41Å; M86-L88 HydrophobicContact CB-CD1 4.08Å; M86-L88 HydrophobicContact CB-CD2 3.78Å; M86-L88 HydrophobicContact CB-CG 3.76Å; M86-V137 HydrophobicContact CE-CG1 4.35Å; M86-V137 HydrophobicContact CE-CG2 4.47Å; M86-V137 HydrophobicContact SD-CG2 4.42Å; M86-L152 VanDerWaalsContact C-CD1 3.42Å; M86-L152 WeakPolarHBondContact O-CD1 3.34Å; M86-A171 PolarHBondContact N-O 2.88Å; M86-A171 PolarHBondContact O-N 3.49Å; M86-K172 VanDerWaalsContact CE-C 3.46Å; M86-F173 HydrophobicContact CE-CB 3.86Å
87Y98.8Very high96.9Very high41 Ų4138.6 Ų38.616%0.16122%0.216CC..EExtended strand (participates in β ladder)trans-113110.2170.8-165.5-137.9000108.6F153 M159 W162 W168 F170Y87-F153 HydrophobicContact CD1-CE1 4.11Å; Y87-F153 HydrophobicContact CE1-CE1 4.04Å; Y87-F153 HydrophobicContact CE1-CZ 4.16Å; Y87-F153 HydrophobicContact CG-CE1 4.49Å; Y87-M159 HydrophobicContact CD1-CB 4.09Å; Y87-M159 HydrophobicContact CD1-CG 4.26Å; Y87-M159 HydrophobicContact CD1-SD 4.18Å; Y87-M159 HydrophobicContact CE1-CB 4.49Å; Y87-M159 HydrophobicContact CG-SD 4.4Å; Y87-W162 AromaticContact CD1-CE3 3.65Å; Y87-W162 HydrophobicContact CD1-CE3 3.65Å; Y87-W162 AromaticContact CD1-CZ3 3.89Å; Y87-W162 HydrophobicContact CD1-CZ3 3.89Å; Y87-W162 HydrophobicContact CE1-CE3 4.1Å; Y87-W168 HydrophobicContact CD1-CB 4.25Å; Y87-W168 HydrophobicContact CD1-CD2 4.22Å; Y87-W168 HydrophobicContact CD1-CE3 4.13Å; Y87-W168 HydrophobicContact CD1-CG 4.28Å; Y87-W168 HydrophobicContact CD2-CB 4Å; Y87-W168 HydrophobicContact CE1-CB 3.64Å; Y87-W168 HydrophobicContact CE1-CD2 4Å; Y87-W168 HydrophobicContact CE1-CE3 4.38Å; Y87-W168 AromaticContact CE1-CG 3.67Å; Y87-W168 HydrophobicContact CE1-CG 3.67Å; Y87-W168 HydrophobicContact CE2-CB 3.35Å; Y87-W168 HydrophobicContact CE2-CG 4.29Å; Y87-W168 HydrophobicContact CG-CB 4.42Å; Y87-W168 HydrophobicContact CG-CE3 4.48Å; Y87-W168 AromaticContact CZ-CG 3.69Å; Y87-W168 WeakPolarHBondContact OH-CB 3.29Å; Y87-F170 AromaticContact CD2-CD1 3.52Å; Y87-F170 HydrophobicContact CD2-CD1 3.52Å; Y87-F170 AromaticContact CD2-CE1 3.25Å; Y87-F170 HydrophobicContact CD2-CE1 3.25Å; Y87-F170 HydrophobicContact CD2-CE2 4.33Å; Y87-F170 HydrophobicContact CD2-CG 4.17Å; Y87-F170 AromaticContact CD2-CZ 3.69Å; Y87-F170 HydrophobicContact CD2-CZ 3.69Å; Y87-F170 HydrophobicContact CE2-CD1 4.09Å; Y87-F170 HydrophobicContact CE2-CD2 4.42Å; Y87-F170 AromaticContact CE2-CE1 3.54Å; Y87-F170 HydrophobicContact CE2-CE1 3.54Å; Y87-F170 AromaticContact CE2-CE2 3.91Å; Y87-F170 HydrophobicContact CE2-CE2 3.91Å; Y87-F170 HydrophobicContact CE2-CG 4.49Å; Y87-F170 AromaticContact CE2-CZ 3.42Å; Y87-F170 HydrophobicContact CE2-CZ 3.42Å; Y87-F170 VanDerWaalsContact CE2-CZ 3.42Å; Y87-F170 HydrophobicContact CG-CD1 4.36Å; Y87-F170 AromaticContact CG-CE1 3.98Å; Y87-F170 HydrophobicContact CG-CE1 3.98Å
88L98.6Very high97.4Very high7 Ų732.8 Ų32.84%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-124159.7-161.9-60.7-177.6000111.5F70 M86 V95 V137 W168 F169 A171F70-L88 HydrophobicContact CD1-CD2 3.53Å; F70-L88 HydrophobicContact CE1-CD2 3.63Å; M86-L88 HydrophobicContact CB-CD1 4.08Å; M86-L88 HydrophobicContact CB-CD2 3.78Å; M86-L88 HydrophobicContact CB-CG 3.76Å; L88-V95 HydrophobicContact CB-CG2 4.05Å; L88-V95 HydrophobicContact CD1-CG2 4.07Å; L88-V95 HydrophobicContact CD2-CG2 4.36Å; L88-V95 HydrophobicContact CG-CG2 4.39Å; L88-V137 HydrophobicContact CD1-CG1 3.88Å; L88-W168 CarbonylContact O-C 3.41Å; L88-W168 WeakPolarHBondContact O-CA 3.17Å; L88-F169 HydrophobicContact CB-CD2 4.34Å; L88-F169 HydrophobicContact CB-CE1 4Å; L88-F169 HydrophobicContact CB-CE2 3.79Å; L88-F169 HydrophobicContact CB-CZ 3.59Å; L88-F169 HydrophobicContact CD1-CE2 4.19Å; L88-F169 HydrophobicContact CD1-CZ 4.37Å; L88-F169 PolarHBondContact N-O 2.8Å; L88-F169 VanDerWaalsContact O-CD1 3.28Å; L88-F169 WeakPolarHBondContact O-CD1 3.49Å; L88-F169 PolarHBondContact O-N 3.17Å; L88-A171 HydrophobicContact CD1-CB 3.67Å; L88-A171 HydrophobicContact CG-CB 4.32Å
89T98.6Very high97.9Very high12 Ų1235.6 Ų35.67%0.07419%0.186CC..  trans-131147.2172.1172.40000109.5M91 E92 V95 H166 W168T89-M91 HydrophobicContact CG2-CB 4.02Å; T89-M91 PolarHBondContact O-N 2.91Å; T89-M91 VanDerWaalsContact O-N 3.15Å; T89-M91 PolarHBondContact OG1-N 2.03Å; T89-E92 HydrophobicContact CG2-CB 4.22Å; T89-E92 WeakPolarHBondContact O-CB 3.28Å; T89-E92 PolarHBondContact O-N 3.48Å; T89-E92 VanDerWaalsContact O-N 3.09Å; T89-V95 WeakPolarHBondContact O-CB 3.49Å; T89-H166 WeakPolarHBondContact CB-O 3.37Å; T89-H166 PolarHBondContact OG1-O 3.21Å; T89-W168 HydrophobicContact CG2-CE3 4.11Å; T89-W168 HydrophobicContact CG2-CH2 3.95Å; T89-W168 HydrophobicContact CG2-CZ3 3.68Å
90H98.3Very high98.3Very high84 Ų8437 Ų3739%0.38919%0.193SC..THydrogen-bonded Turntrans-66.1-9.5173.7-64.4-58.9000113.6E92 Q96 Q99 F169H90-E92 VanDerWaalsContact C-N 3.28Å; H90-Q96 WeakPolarHBondContact O-CG 3.46Å; H90-Q96 PolarHBondContact O-NE2 3Å; H90-Q99 PolarHBondContact ND1-NE2 3.16Å; H90-Q99 VanDerWaalsContact ND1-NE2 3.13Å; H90-F169 AromaticContact CE1-CE1 3.52Å; H90-F169 AromaticContact CE1-CZ 3.9Å; H90-F169 AromaticContact ND1-CE1 3.75Å; H90-F169 AromaticContact NE2-CD1 3.96Å; H90-F169 AromaticContact NE2-CE1 3.71Å
91M98.3Very high98.4Very high121 Ų12138.4 Ų38.460%0.59620%0.199SC*.THydrogen-bonded Turntrans-73.6-20.9171.8-61.8173.364.900112.8T89 Q96 H166T89-M91 HydrophobicContact CG2-CB 4.02Å; T89-M91 PolarHBondContact O-N 2.91Å; T89-M91 VanDerWaalsContact O-N 3.15Å; T89-M91 PolarHBondContact OG1-N 2.03Å; M91-Q96 PolarHBondContact O-NE2 3.31Å; M91-H166 HydrophobicContact SD-CB 4.12Å
92E98.1Very high98.3Very high36 Ų3639.5 Ų39.517%0.16821%0.205CC..SBendtrans-75134.7-177.8-162.6-72.1139.700110.5N68 F70 T89 H90 S94 V95 Q96N68-E92 PolarHBondContact ND2-OE1 2.88Å; F70-E92 HydrophobicContact CE1-CG 4.12Å; F70-E92 VanDerWaalsContact CZ-CD 3.43Å; F70-E92 HydrophobicContact CZ-CG 4.27Å; F70-E92 VanDerWaalsContact CZ-OE2 3.31Å; F70-E92 WeakPolarHBondContact CZ-OE2 3.22Å; T89-E92 HydrophobicContact CG2-CB 4.22Å; T89-E92 WeakPolarHBondContact O-CB 3.28Å; T89-E92 PolarHBondContact O-N 3.48Å; T89-E92 VanDerWaalsContact O-N 3.09Å; H90-E92 VanDerWaalsContact C-N 3.28Å; E92-S94 PolarHBondContact O-N 2.95Å; E92-S94 PolarHBondContact OE1-N 3.06Å; E92-S94 VanDerWaalsContact OE1-N 3.11Å; E92-S94 PolarHBondContact OE1-OG 2.72Å; E92-S94 VanDerWaalsContact OE2-C 3.27Å; E92-S94 WeakPolarHBondContact OE2-CA 3.41Å; E92-S94 VanDerWaalsContact OE2-CB 3.23Å; E92-S94 WeakPolarHBondContact OE2-CB 3.5Å; E92-S94 PolarHBondContact OE2-N 3.21Å; E92-S94 PolarHBondContact OE2-OG 2.85Å; E92-V95 HydrophobicContact CB-CB 4.24Å; E92-V95 HydrophobicContact CB-CG2 3.97Å; E92-V95 WeakPolarHBondContact O-CB 3.13Å; E92-V95 PolarHBondContact O-N 3.08Å; E92-V95 VanDerWaalsContact O-N 3.17Å; E92-V95 WeakPolarHBondContact OE2-CG2 3.49Å; E92-V95 PolarHBondContact OE2-N 2.9Å; E92-Q96 WeakPolarHBondContact O-CG 3.44Å; E92-Q96 PolarHBondContact O-N 2.9Å; E92-Q96 VanDerWaalsContact O-N 3.08Å
93V98.1Very high98.3Very high51 Ų5144.2 Ų44.231%0.30923%0.227SC..Hα-helixtrans-65-37.4-169.565.40000112.9H58 F66 Q96 D97H58-V93 WeakPolarHBondContact CD2-CG2 3.45Å; H58-V93 WeakPolarHBondContact NE2-CG2 3.19Å; H58-V93 PolarHBondContact NE2-O 3.34Å; F66-V93 HydrophobicContact CE1-CG1 3.64Å; F66-V93 HydrophobicContact CZ-CG1 3.88Å; V93-Q96 WeakPolarHBondContact O-CB 3.34Å; V93-Q96 PolarHBondContact O-N 2.94Å; V93-D97 PolarHBondContact O-N 3.07Å; V93-D97 VanDerWaalsContact O-N 3.08Å
94S98.5Very high98.3Very high0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-75.1-28.1176.6-21.30000111.6N68 E92 Q96 D97 L98N68-S94 WeakPolarHBondContact CB-OG 3.37Å; N68-S94 PolarHBondContact ND2-OG 3.41Å; E92-S94 PolarHBondContact O-N 2.95Å; E92-S94 PolarHBondContact OE1-N 3.06Å; E92-S94 VanDerWaalsContact OE1-N 3.11Å; E92-S94 PolarHBondContact OE1-OG 2.72Å; E92-S94 VanDerWaalsContact OE2-C 3.27Å; E92-S94 WeakPolarHBondContact OE2-CA 3.41Å; E92-S94 VanDerWaalsContact OE2-CB 3.23Å; E92-S94 WeakPolarHBondContact OE2-CB 3.5Å; E92-S94 PolarHBondContact OE2-N 3.21Å; E92-S94 PolarHBondContact OE2-OG 2.85Å; S94-Q96 VanDerWaalsContact C-N 3.3Å; S94-D97 WeakPolarHBondContact O-CB 3.43Å; S94-D97 PolarHBondContact O-N 3.26Å; S94-L98 WeakPolarHBondContact O-CB 3.19Å; S94-L98 WeakPolarHBondContact O-CD1 3.28Å; S94-L98 WeakPolarHBondContact O-CG 3.41Å; S94-L98 PolarHBondContact O-N 2.9Å
95V98.6Very high98.3Very high6 Ų645 Ų454%0.03623%0.234CC..Hα-helixtrans-65.3-37.7169.9174.30000110.3L88 T89 E92 L98 Q99 F169L88-V95 HydrophobicContact CB-CG2 4.05Å; L88-V95 HydrophobicContact CD1-CG2 4.07Å; L88-V95 HydrophobicContact CD2-CG2 4.36Å; L88-V95 HydrophobicContact CG-CG2 4.39Å; T89-V95 WeakPolarHBondContact O-CB 3.49Å; E92-V95 HydrophobicContact CB-CB 4.24Å; E92-V95 HydrophobicContact CB-CG2 3.97Å; E92-V95 WeakPolarHBondContact O-CB 3.13Å; E92-V95 PolarHBondContact O-N 3.08Å; E92-V95 VanDerWaalsContact O-N 3.17Å; E92-V95 WeakPolarHBondContact OE2-CG2 3.49Å; E92-V95 PolarHBondContact OE2-N 2.9Å; V95-L98 PolarHBondContact O-N 3.01Å; V95-Q99 WeakPolarHBondContact O-CG 3.42Å; V95-Q99 PolarHBondContact O-N 2.84Å; V95-F169 HydrophobicContact CG1-CE1 4.3Å; V95-F169 HydrophobicContact CG1-CZ 3.92Å
96Q98.7Very high98.3Very high63 Ų6344.4 Ų44.429%0.29423%0.232SC..Hα-helixtrans-65.6-39.6172.8-65.1163.51400111.3H58 H90 M91 E92 V93 S94 L98 Q99H58-Q96 PolarHBondContact CE1-OE1 2.91Å; H58-Q96 PolarHBondContact NE2-OE1 3.5Å; H90-Q96 WeakPolarHBondContact O-CG 3.46Å; H90-Q96 PolarHBondContact O-NE2 3Å; M91-Q96 PolarHBondContact O-NE2 3.31Å; E92-Q96 WeakPolarHBondContact O-CG 3.44Å; E92-Q96 PolarHBondContact O-N 2.9Å; E92-Q96 VanDerWaalsContact O-N 3.08Å; V93-Q96 WeakPolarHBondContact O-CB 3.34Å; V93-Q96 PolarHBondContact O-N 2.94Å; S94-Q96 VanDerWaalsContact C-N 3.3Å; Q96-L98 VanDerWaalsContact C-N 3.34Å; Q96-L98 PolarHBondContact O-N 3.36Å; Q96-Q99 PolarHBondContact O-N 3.36Å
97D98.8Very high98.3Very high0 Ų046.5 Ų46.50%025%0.247CC..Hα-helixtrans-59.5-45171.2-66.7-19.7000111.7T54 I55 S56 S57 H58 V93 S94 Q99 V100 N101T54-D97 HydrophobicContact CG2-CB 4.48Å; T54-D97 PolarHBondContact OG1-OD2 3.14Å; I55-D97 WeakPolarHBondContact O-CB 3.44Å; S56-D97 WeakPolarHBondContact CA-OD1 3.21Å; S56-D97 WeakPolarHBondContact CA-OD2 3.44Å; S57-D97 WeakPolarHBondContact CB-OD1 3.2Å; S57-D97 PolarHBondContact N-OD1 3.44Å; S57-D97 PolarHBondContact OG-OD1 3.03Å; H58-D97 IonicContact CD2-OD1 2.68Å; H58-D97 PolarHBondContact CD2-OD1 3.28Å; H58-D97 IonicContact NE2-OD1 2.64Å; H58-D97 PolarHBondContact NE2-OD1 2.74Å; V93-D97 PolarHBondContact O-N 3.07Å; V93-D97 VanDerWaalsContact O-N 3.08Å; S94-D97 WeakPolarHBondContact O-CB 3.43Å; S94-D97 PolarHBondContact O-N 3.26Å; D97-Q99 VanDerWaalsContact C-N 3.25Å; D97-Q99 PolarHBondContact O-N 2.93Å; D97-V100 PolarHBondContact O-N 3.05Å; D97-N101 PolarHBondContact O-N 3.25Å
98L98.6Very high98.3Very high18 Ų1844.6 Ų44.69%0.09424%0.239CC..Hα-helixtrans-63.5-27.7179.5-72.4164.6000113.4M52 T54 S94 V95 Q96 V100 N101 P102 A104 V137M52-L98 HydrophobicContact SD-CD1 3.94Å; T54-L98 HydrophobicContact CG2-CD1 4.4Å; T54-L98 HydrophobicContact CG2-CD2 4.07Å; T54-L98 HydrophobicContact CG2-CG 3.93Å; S94-L98 WeakPolarHBondContact O-CB 3.19Å; S94-L98 WeakPolarHBondContact O-CD1 3.28Å; S94-L98 WeakPolarHBondContact O-CG 3.41Å; S94-L98 PolarHBondContact O-N 2.9Å; V95-L98 PolarHBondContact O-N 3.01Å; Q96-L98 VanDerWaalsContact C-N 3.34Å; Q96-L98 PolarHBondContact O-N 3.36Å; L98-V100 VanDerWaalsContact C-N 3.26Å; L98-V100 PolarHBondContact O-N 2.79Å; L98-N101 WeakPolarHBondContact CA-O 3.46Å; L98-N101 CarbonylContact O-C 3.51Å; L98-P102 WeakPolarHBondContact O-CA 3.37Å; L98-A104 HydrophobicContact CD2-CB 3.95Å; L98-V137 HydrophobicContact CD1-CB 3.85Å; L98-V137 HydrophobicContact CD1-CG1 4.24Å; L98-V137 HydrophobicContact CD1-CG2 3.73Å; L98-V137 HydrophobicContact CD2-CB 4.13Å; L98-V137 HydrophobicContact CD2-CG2 4.05Å
99Q98.2Very high98.3Very high124 Ų12445.2 Ų45.258%0.57924%0.244SC*.Hα-helixtrans-69.4-24.8173.3-73.3178.2-48.200112.7H90 V95 Q96 D97H90-Q99 PolarHBondContact ND1-NE2 3.16Å; H90-Q99 VanDerWaalsContact ND1-NE2 3.13Å; V95-Q99 WeakPolarHBondContact O-CG 3.42Å; V95-Q99 PolarHBondContact O-N 2.84Å; Q96-Q99 PolarHBondContact O-N 3.36Å; D97-Q99 VanDerWaalsContact C-N 3.25Å; D97-Q99 PolarHBondContact O-N 2.93Å
100V98.3Very high98.3Very high113 Ų11344.6 Ų44.669%0.68524%0.241SC*.Hα-helixtrans-91.4-43.5175.7-1790000111D97 L98D97-V100 PolarHBondContact O-N 3.05Å; L98-V100 VanDerWaalsContact C-N 3.26Å; L98-V100 PolarHBondContact O-N 2.79Å
101N97.6Very high98.3Very high55 Ų5542.6 Ų42.629%0.29424%0.238SC..  trans-138.5109.3177.5-177.6-6.9000110.1D97 L98 Q103D97-N101 PolarHBondContact O-N 3.25Å; L98-N101 WeakPolarHBondContact CA-O 3.46Å; L98-N101 CarbonylContact O-C 3.51Å; N101-Q103 PolarHBondContact O-N 2.86Å; N101-Q103 VanDerWaalsContact O-N 3.14Å; N101-Q103 VanDerWaalsContact OD1-CB 3.29Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.2Å; N101-Q103 VanDerWaalsContact OD1-CG 3.32Å; N101-Q103 WeakPolarHBondContact OD1-CG 3.31Å; N101-Q103 PolarHBondContact OD1-N 3.23Å
102P95.7Very high98.3Very high59 Ų5939.1 Ų39.138%0.38322%0.221SC..  trans-73.9-6-174.532.1-37.5000113.5L98 S136 V137L98-P102 WeakPolarHBondContact O-CA 3.37Å; P102-S136 WeakPolarHBondContact O-CA 3.04Å; P102-S136 WeakPolarHBondContact O-CB 3.03Å; P102-V137 PolarHBondContact O-N 2.86Å
103Q97.9Very high98.2Very high100 Ų10039 Ų3947%0.46722%0.222SC..EExtended strand (participates in β ladder)trans-70.3130.3179.6-62.8-62.8-45.400110.9N101 G135N101-Q103 PolarHBondContact O-N 2.86Å; N101-Q103 VanDerWaalsContact O-N 3.14Å; N101-Q103 VanDerWaalsContact OD1-CB 3.29Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.2Å; N101-Q103 VanDerWaalsContact OD1-CG 3.32Å; N101-Q103 WeakPolarHBondContact OD1-CG 3.31Å; N101-Q103 PolarHBondContact OD1-N 3.23Å; Q103-G135 WeakPolarHBondContact CA-O 3.35Å; Q103-G135 PolarHBondContact OE1-O 2.96Å
104A98.6Very high98.1Very high7 Ų741.8 Ų41.86%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-148164.2177.800000111.6M52 A53 T54 L98 G135 F173M52-A104 HydrophobicContact CG-CB 4.09Å; M52-A104 HydrophobicContact SD-CB 4.35Å; A53-A104 WeakPolarHBondContact O-CA 3.36Å; A53-A104 WeakPolarHBondContact O-CB 3.17Å; T54-A104 HydrophobicContact CG2-CB 4.45Å; L98-A104 HydrophobicContact CD2-CB 3.95Å; A104-G135 PolarHBondContact N-O 3.33Å; A104-G135 PolarHBondContact O-N 3.15Å; A104-G135 VanDerWaalsContact O-O 3.08Å; A104-F173 HydrophobicContact CB-CE2 3.92Å; A104-F173 WeakPolarHBondContact O-CZ 3.37Å
105S98.9Very high98Very high35 Ų3543.2 Ų43.225%0.24524%0.241CC..EExtended strand (participates in β ladder)trans-126.9131.3172.4-177.90000110M52 A53 I132 L133M52-S105 CarbonylContact C-O 3.47Å; M52-S105 WeakPolarHBondContact CA-O 3.26Å; A53-S105 PolarHBondContact N-O 3.17Å; A53-S105 PolarHBondContact O-N 3.37Å; S105-I132 VanDerWaalsContact OG-CG2 3.27Å; S105-I132 WeakPolarHBondContact OG-CG2 3.27Å; S105-L133 CarbonylContact C-O 3.52Å; S105-L133 VanDerWaalsContact CA-O 3.23Å; S105-L133 WeakPolarHBondContact CA-O 3.23Å; S105-L133 PolarHBondContact OG-O 2.84Å
106L98.9Very high97.9Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-99.5138.3170.1-60.7-178.3000110.2A50 S51 M52 P84 M108 I132 L133 F173A50-L106 HydrophobicContact CB-CB 4.25Å; A50-L106 HydrophobicContact CB-CD2 4.09Å; S51-L106 CarbonylContact O-C 3.56Å; S51-L106 WeakPolarHBondContact O-CA 3.19Å; M52-L106 HydrophobicContact CB-CD2 3.6Å; M52-L106 HydrophobicContact CE-CD2 3.77Å; M52-L106 HydrophobicContact CG-CD2 3.71Å; P84-L106 HydrophobicContact CB-CD1 3.93Å; P84-L106 HydrophobicContact CG-CD1 4.02Å; L106-M108 HydrophobicContact CB-CE 4.44Å; L106-I132 CarbonylContact O-C 3.55Å; L106-I132 VanDerWaalsContact O-CA 3.28Å; L106-I132 WeakPolarHBondContact O-CA 3.21Å; L106-L133 HydrophobicContact CB-CB 4.25Å; L106-L133 PolarHBondContact N-O 3.39Å; L106-L133 PolarHBondContact O-N 3.11Å; L106-F173 HydrophobicContact CD1-CB 3.82Å; L106-F173 HydrophobicContact CD1-CD1 3.89Å; L106-F173 HydrophobicContact CD1-CD2 3.64Å; L106-F173 HydrophobicContact CD1-CE1 4.35Å; L106-F173 HydrophobicContact CD1-CE2 4.13Å; L106-F173 HydrophobicContact CD1-CG 3.49Å; L106-F173 VanDerWaalsContact CD1-CG 3.49Å; L106-F173 HydrophobicContact CD1-CZ 4.45Å; L106-F173 HydrophobicContact CD2-CD2 4.26Å; L106-F173 HydrophobicContact CD2-CE2 4.27Å; L106-F173 HydrophobicContact CG-CD1 4.25Å; L106-F173 HydrophobicContact CG-CD2 3.68Å; L106-F173 HydrophobicContact CG-CE1 4.23Å; L106-F173 HydrophobicContact CG-CE2 3.66Å; L106-F173 HydrophobicContact CG-CG 3.98Å; L106-F173 HydrophobicContact CG-CZ 3.93Å
107S98.8Very high97.8Very high45 Ų4548.5 Ų48.532%0.31526%0.263SS..EExtended strand (participates in β ladder)trans-121134166.8-1730000110.7S51 I131S51-S107 PolarHBondContact N-O 3.37Å; S51-S107 PolarHBondContact O-N 2.95Å; S107-I131 WeakPolarHBondContact CA-O 3.34Å; S107-I131 PolarHBondContact OG-O 3.26Å
108M98.8Very high97.7Very high1 Ų153.5 Ų53.51%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-138141.5179.2-72.3172.5-84.700109.5I43 A44 C47 A50 V72 L106 H130 I131 L133I43-M108 HydrophobicContact CG2-CB 4.01Å; A44-M108 HydrophobicContact CB-CE 4.43Å; C47-M108 HydrophobicContact CB-CB 4.12Å; C47-M108 HydrophobicContact CB-CG 4.02Å; C47-M108 HydrophobicContact CB-SD 4Å; A50-M108 HydrophobicContact CB-CG 3.62Å; A50-M108 HydrophobicContact CB-SD 4.19Å; V72-M108 HydrophobicContact CG2-SD 4.26Å; L106-M108 HydrophobicContact CB-CE 4.44Å; M108-H130 CarbonylContact O-C 3.49Å; M108-H130 WeakPolarHBondContact O-CA 3.14Å; M108-H130 WeakPolarHBondContact O-CB 3.2Å; M108-I131 HydrophobicContact CB-CD1 4.38Å; M108-I131 HydrophobicContact CB-CG1 3.94Å; M108-I131 HydrophobicContact CE-CD1 3.78Å; M108-I131 HydrophobicContact CE-CG1 4.24Å; M108-I131 PolarHBondContact N-O 3.47Å; M108-I131 VanDerWaalsContact N-O 3.12Å; M108-I131 PolarHBondContact O-N 2.84Å; M108-L133 HydrophobicContact CE-CD1 3.44Å; M108-L133 VanDerWaalsContact CE-CD1 3.44Å; M108-L133 HydrophobicContact CE-CG 4.18Å
109S98.6Very high97.6Very high19 Ų1957.5 Ų57.513%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-139.7144.8-175175.50000111.1A111 Q112S109-A111 PolarHBondContact O-N 2.94Å; S109-A111 WeakPolarHBondContact OG-CB 3.5Å; S109-A111 PolarHBondContact OG-N 2.85Å; S109-A111 VanDerWaalsContact OG-N 3.07Å; S109-Q112 VanDerWaalsContact O-CB 3.26Å; S109-Q112 WeakPolarHBondContact O-CB 3.48Å; S109-Q112 VanDerWaalsContact O-CG 3.23Å; S109-Q112 WeakPolarHBondContact O-CG 3.25Å; S109-Q112 PolarHBondContact O-N 3.4Å; S109-Q112 PolarHBondContact O-OE1 2.72Å
110L98.3Very high97.5Very high0 Ų054.8 Ų54.80%031%0.31CS..G310 helixtrans-64-9.4170.4-64.6-176.3000113.3I30 F42 I43 Q46 Q112 T113 Y115 A129I30-L110 HydrophobicContact CD1-CD1 3.65Å; I30-L110 HydrophobicContact CG1-CD1 4.23Å; F42-L110 HydrophobicContact CD1-CD2 4.38Å; F42-L110 HydrophobicContact CE1-CD1 4.38Å; F42-L110 HydrophobicContact CE1-CD2 4.19Å; I43-L110 HydrophobicContact CG1-CD1 4.41Å; I43-L110 HydrophobicContact CG1-CD2 3.98Å; I43-L110 HydrophobicContact CG1-CG 3.97Å; Q46-L110 HydrophobicContact CB-CD2 4.18Å; Q46-L110 HydrophobicContact CG-CD2 4.4Å; L110-Q112 PolarHBondContact O-N 3.48Å; L110-T113 CarbonylContact O-C 3.56Å; L110-T113 PolarHBondContact O-N 3.05Å; L110-T113 PolarHBondContact O-OG1 3.2Å; L110-Y115 HydrophobicContact CB-CD1 3.67Å; L110-Y115 HydrophobicContact CB-CE1 4.49Å; L110-Y115 HydrophobicContact CB-CG 4.19Å; L110-Y115 HydrophobicContact CD1-CD1 3.56Å; L110-Y115 HydrophobicContact CD1-CE1 3.77Å; L110-Y115 HydrophobicContact CD1-CG 3.99Å; L110-Y115 HydrophobicContact CG-CD1 4.27Å; L110-A129 HydrophobicContact CD1-CB 4.11Å; L110-A129 PolarHBondContact N-O 3.1Å
111A98.3Very high97.5Very high41 Ų4152 Ų5234%0.33929%0.289SS..G310 helixtrans-62.6-19.316700000113.2S109 T113 C116 P123 C128S109-A111 PolarHBondContact O-N 2.94Å; S109-A111 WeakPolarHBondContact OG-CB 3.5Å; S109-A111 PolarHBondContact OG-N 2.85Å; S109-A111 VanDerWaalsContact OG-N 3.07Å; A111-T113 PolarHBondContact O-N 3.12Å; A111-C116 PolarHBondContact N-SG 3.19Å; A111-P123 HydrophobicContact CB-CB 3.94Å; A111-P123 HydrophobicContact CB-CG 4.28Å; A111-C128 PolarHBondContact N-SG 2.85Å
112Q98.1Very high97.5Very high49 Ų4954.2 Ų54.223%0.22930%0.3CS..G310 helixtrans-74.5-12.6173.5-58.5173.1-102.900112.3C47 W49 S109 L110C47-Q112 PolarHBondContact SG-OE1 3.27Å; C47-Q112 VanDerWaalsContact SG-OE1 3.41Å; W49-Q112 HydrophobicContact CH2-CG 4.18Å; W49-Q112 HydrophobicContact CZ2-CB 4.41Å; W49-Q112 HydrophobicContact CZ2-CG 3.58Å; W49-Q112 PolarHBondContact O-NE2 3.37Å; S109-Q112 VanDerWaalsContact O-CB 3.26Å; S109-Q112 WeakPolarHBondContact O-CB 3.48Å; S109-Q112 VanDerWaalsContact O-CG 3.23Å; S109-Q112 WeakPolarHBondContact O-CG 3.25Å; S109-Q112 PolarHBondContact O-N 3.4Å; S109-Q112 PolarHBondContact O-OE1 2.72Å; L110-Q112 PolarHBondContact O-N 3.48Å
113T96.1Very high97.7Very high33 Ų3355.1 Ų55.120%0.20231%0.306CS..SBendtrans-109.9177.1173.276.60000109.7Q46 L110 A111 Y115Q46-T113 HydrophobicContact CB-CG2 4.29Å; L110-T113 CarbonylContact O-C 3.56Å; L110-T113 PolarHBondContact O-N 3.05Å; L110-T113 PolarHBondContact O-OG1 3.2Å; A111-T113 PolarHBondContact O-N 3.12Å; T113-Y115 PolarHBondContact O-N 3.15Å; T113-Y115 VanDerWaalsContact OG1-CB 3.23Å; T113-Y115 WeakPolarHBondContact OG1-CB 3.45Å; T113-Y115 PolarHBondContact OG1-N 2.82Å; T113-Y115 VanDerWaalsContact OG1-N 3.1Å
114D95.6Very high97.7Very high109 Ų10958.5 Ų58.558%0.58332%0.322SS*.SBendtrans-72.4-7.7172.8-71.7-36.2000114C116 K117 Q118D114-C116 PolarHBondContact O-N 2.87Å; D114-K117 PolarHBondContact O-N 3.28Å; D114-Q118 HydrophobicContact CB-CG 4.24Å; D114-Q118 WeakPolarHBondContact O-CB 3.34Å; D114-Q118 VanDerWaalsContact O-CG 3.26Å; D114-Q118 WeakPolarHBondContact O-CG 3.46Å; D114-Q118 PolarHBondContact O-N 3.44Å
115Y95.8Very high97.7Very high30 Ų3059.5 Ų59.512%0.11833%0.329CS..Hα-helixtrans-53.1-58.6-172.3174.4-94.5000112.7I30 L110 T113 K117 Q118 Q119 F121I30-Y115 HydrophobicContact CB-CE2 4.35Å; I30-Y115 HydrophobicContact CG2-CE2 4.19Å; I30-Y115 WeakPolarHBondContact CG2-OH 3.44Å; L110-Y115 HydrophobicContact CB-CD1 3.67Å; L110-Y115 HydrophobicContact CB-CE1 4.49Å; L110-Y115 HydrophobicContact CB-CG 4.19Å; L110-Y115 HydrophobicContact CD1-CD1 3.56Å; L110-Y115 HydrophobicContact CD1-CE1 3.77Å; L110-Y115 HydrophobicContact CD1-CG 3.99Å; L110-Y115 HydrophobicContact CG-CD1 4.27Å; T113-Y115 PolarHBondContact O-N 3.15Å; T113-Y115 VanDerWaalsContact OG1-CB 3.23Å; T113-Y115 WeakPolarHBondContact OG1-CB 3.45Å; T113-Y115 PolarHBondContact OG1-N 2.82Å; T113-Y115 VanDerWaalsContact OG1-N 3.1Å; Y115-K117 VanDerWaalsContact C-N 3.32Å; Y115-K117 PolarHBondContact O-N 2.97Å; Y115-Q118 PolarHBondContact O-N 3.33Å; Y115-Q119 HydrophobicContact CD2-CG 4.3Å; Y115-Q119 HydrophobicContact CE1-CG 4.2Å; Y115-Q119 HydrophobicContact CE2-CG 3.95Å; Y115-Q119 WeakPolarHBondContact O-CG 3.37Å; Y115-Q119 PolarHBondContact O-N 3.19Å; Y115-F121 HydrophobicContact CE1-CD2 4.21Å; Y115-F121 HydrophobicContact CE1-CE2 4.28Å
116C97.1Very high97.6Very high2 Ų259 Ų591%0.01433%0.325CS..Hα-helixtrans-64.6-39.3-173.9-58.10000111.8A111 D114 Q118 Q119 G120 F121 C128A111-C116 PolarHBondContact N-SG 3.19Å; D114-C116 PolarHBondContact O-N 2.87Å; C116-Q118 PolarHBondContact O-N 3.08Å; C116-Q119 PolarHBondContact O-N 3.31Å; C116-G120 PolarHBondContact O-N 3.27Å; C116-F121 HydrophobicContact CB-CB 4.32Å; C116-F121 PolarHBondContact O-N 3.34Å; C116-C128 HydrophobicContact CB-CB 3.8Å; C116-C128 WeakPolarHBondContact CB-SG 3.26Å; C116-C128 WeakPolarHBondContact SG-CA 3.43Å; C116-C128 WeakPolarHBondContact SG-CB 3.36Å; C116-C128 CovalentContact SG-SG 2.03Å; C116-C128 PolarHBondContact SG-SG 3.18Å
117K97.3Very high97.5Very high178 Ų17860.9 Ų60.977%0.77433%0.334SS*.Hα-helixtrans-62.4-43.4175.8-172.1179.2179.6-179.40111.8D114 Y115 Q119 G120D114-K117 PolarHBondContact O-N 3.28Å; Y115-K117 VanDerWaalsContact C-N 3.32Å; Y115-K117 PolarHBondContact O-N 2.97Å; K117-Q119 VanDerWaalsContact C-N 3.34Å; K117-G120 PolarHBondContact O-N 3.1Å
118Q96.3Very high97.5Very high106 Ų10658.7 Ų58.750%0.49532%0.319SS..Hα-helixtrans-68-32.6177.9-72.7177.91200112.9D114 Y115 C116 G120D114-Q118 HydrophobicContact CB-CG 4.24Å; D114-Q118 WeakPolarHBondContact O-CB 3.34Å; D114-Q118 VanDerWaalsContact O-CG 3.26Å; D114-Q118 WeakPolarHBondContact O-CG 3.46Å; D114-Q118 PolarHBondContact O-N 3.44Å; Y115-Q118 PolarHBondContact O-N 3.33Å; C116-Q118 PolarHBondContact O-N 3.08Å; Q118-G120 VanDerWaalsContact C-N 3.33Å
119Q95.8Very high97.4Very high101 Ų10158.7 Ų58.747%0.47232%0.319SS..Hα-helixtrans-82.3-10175.6-61.4-51-66.400113.5Y115 C116 K117 F121Y115-Q119 HydrophobicContact CD2-CG 4.3Å; Y115-Q119 HydrophobicContact CE1-CG 4.2Å; Y115-Q119 HydrophobicContact CE2-CG 3.95Å; Y115-Q119 WeakPolarHBondContact O-CG 3.37Å; Y115-Q119 PolarHBondContact O-N 3.19Å; C116-Q119 PolarHBondContact O-N 3.31Å; K117-Q119 VanDerWaalsContact C-N 3.34Å; Q119-F121 VanDerWaalsContact C-N 3.3Å; Q119-F121 HydrophobicContact CB-CD1 4.16Å; Q119-F121 HydrophobicContact CB-CD2 3.46Å; Q119-F121 VanDerWaalsContact CB-CD2 3.46Å; Q119-F121 HydrophobicContact CB-CE1 4.09Å; Q119-F121 HydrophobicContact CB-CE2 3.39Å; Q119-F121 HydrophobicContact CB-CG 3.85Å; Q119-F121 HydrophobicContact CB-CZ 3.72Å; Q119-F121 HydrophobicContact CG-CD2 4.11Å; Q119-F121 HydrophobicContact CG-CE2 3.76Å; Q119-F121 HydrophobicContact CG-CZ 4.3Å
120G97.3Very high97.4Very high67 Ų6759.4 Ų59.469%0.69132%0.32SS*.THydrogen-bonded Turntrans70.426.3-173.800000113.3C116 K117 Q118C116-G120 PolarHBondContact O-N 3.27Å; K117-G120 PolarHBondContact O-N 3.1Å; Q118-G120 VanDerWaalsContact C-N 3.33Å
121F97.8Very high97.4Very high56 Ų5659.4 Ų59.425%0.24632%0.32CS..  trans-89.9129.4176.1-58.2-28.6000110.5Y115 C116 Q119 L127 C128Y115-F121 HydrophobicContact CE1-CD2 4.21Å; Y115-F121 HydrophobicContact CE1-CE2 4.28Å; C116-F121 HydrophobicContact CB-CB 4.32Å; C116-F121 PolarHBondContact O-N 3.34Å; Q119-F121 VanDerWaalsContact C-N 3.3Å; Q119-F121 HydrophobicContact CB-CD1 4.16Å; Q119-F121 HydrophobicContact CB-CD2 3.46Å; Q119-F121 VanDerWaalsContact CB-CD2 3.46Å; Q119-F121 HydrophobicContact CB-CE1 4.09Å; Q119-F121 HydrophobicContact CB-CE2 3.39Å; Q119-F121 HydrophobicContact CB-CG 3.85Å; Q119-F121 HydrophobicContact CB-CZ 3.72Å; Q119-F121 HydrophobicContact CG-CD2 4.11Å; Q119-F121 HydrophobicContact CG-CE2 3.76Å; Q119-F121 HydrophobicContact CG-CZ 4.3Å; F121-L127 HydrophobicContact CD1-CB 3.93Å; F121-L127 HydrophobicContact CD1-CD1 4.08Å; F121-L127 HydrophobicContact CD2-CB 3.66Å; F121-L127 VanDerWaalsContact CD2-O 3.24Å; F121-L127 WeakPolarHBondContact CD2-O 3.29Å; F121-L127 HydrophobicContact CE1-CB 4Å; F121-L127 HydrophobicContact CE1-CD1 3.73Å; F121-L127 HydrophobicContact CE2-CB 3.72Å; F121-L127 HydrophobicContact CG-CB 3.78Å; F121-L127 HydrophobicContact CZ-CB 3.89Å; F121-L127 HydrophobicContact CZ-CD1 4.1Å; F121-C128 HydrophobicContact CB-CB 4.09Å
122D98.6Very high97.5Very high101 Ų10159.9 Ų59.954%0.5432%0.317SS..  trans-59.9139.3165.7179.9-92.8000110.3Q124 S125 C128D122-Q124 PolarHBondContact O-N 2.65Å; D122-Q124 VanDerWaalsContact O-N 3.12Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.29Å; D122-Q124 VanDerWaalsContact OD1-CB 3.24Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.39Å; D122-Q124 PolarHBondContact OD1-N 3.21Å; D122-S125 WeakPolarHBondContact O-CB 3.38Å; D122-S125 PolarHBondContact O-N 2.73Å; D122-C128 VanDerWaalsContact O-CB 3.31Å; D122-C128 WeakPolarHBondContact O-CB 3.49Å
123P98.4Very high97.5Very high77 Ų7757.6 Ų57.650%0.531%0.306SS..THydrogen-bonded Turntrans-57.1-25.1-179.1-28.837.1000115.8A111A111-P123 HydrophobicContact CB-CB 3.94Å; A111-P123 HydrophobicContact CB-CG 4.28Å
124Q98.2Very high97.6Very high172 Ų17257.5 Ų57.580%0.80431%0.307SS*.THydrogen-bonded Turntrans-87-16.9177.9-165.2176.28.400112.6D122D122-Q124 PolarHBondContact O-N 2.65Å; D122-Q124 VanDerWaalsContact O-N 3.12Å; D122-Q124 WeakPolarHBondContact OD1-CA 3.29Å; D122-Q124 VanDerWaalsContact OD1-CB 3.24Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.39Å; D122-Q124 PolarHBondContact OD1-N 3.21Å
125S98.2Very high97.8Very high28 Ų2852.3 Ų52.320%0.19628%0.279CS..SBendtrans-61.3138174.51790000110.2D122 L127 C128D122-S125 WeakPolarHBondContact O-CB 3.38Å; D122-S125 PolarHBondContact O-N 2.73Å; S125-L127 PolarHBondContact O-N 2.68Å; S125-L127 VanDerWaalsContact O-N 3.08Å; S125-L127 PolarHBondContact OG-N 2.84Å; S125-C128 WeakPolarHBondContact O-CA 3.37Å; S125-C128 WeakPolarHBondContact O-CB 3.3Å; S125-C128 PolarHBondContact O-N 3.49Å
126P97.4Very high97.9Very high25 Ų2551.5 Ų51.516%0.16228%0.278CS..THydrogen-bonded Turntrans-64-16.2175.328.7-36.4000112.8C128 L181 D182 Y183 F184P126-C128 VanDerWaalsContact C-N 3.28Å; P126-L181 HydrophobicContact CB-CD2 4.42Å; P126-D182 CarbonylContact O-C 3.3Å; P126-D182 WeakPolarHBondContact O-CA 3.45Å; P126-Y183 WeakPolarHBondContact CB-O 3.31Å; P126-F184 HydrophobicContact CG-CD1 3.77Å; P126-F184 HydrophobicContact CG-CE1 3.96Å; P126-F184 HydrophobicContact CG-CG 4.49Å
127L96.9Very high98Very high38 Ų3852.3 Ų52.320%0.19928%0.282CS..THydrogen-bonded Turntrans-71.1-26172-57.6179.9000112.1F121 S125 A129 Y183 F184F121-L127 HydrophobicContact CD1-CB 3.93Å; F121-L127 HydrophobicContact CD1-CD1 4.08Å; F121-L127 HydrophobicContact CD2-CB 3.66Å; F121-L127 VanDerWaalsContact CD2-O 3.24Å; F121-L127 WeakPolarHBondContact CD2-O 3.29Å; F121-L127 HydrophobicContact CE1-CB 4Å; F121-L127 HydrophobicContact CE1-CD1 3.73Å; F121-L127 HydrophobicContact CE2-CB 3.72Å; F121-L127 HydrophobicContact CG-CB 3.78Å; F121-L127 HydrophobicContact CZ-CB 3.89Å; F121-L127 HydrophobicContact CZ-CD1 4.1Å; S125-L127 PolarHBondContact O-N 2.68Å; S125-L127 VanDerWaalsContact O-N 3.08Å; S125-L127 PolarHBondContact OG-N 2.84Å; L127-A129 VanDerWaalsContact C-N 3.25Å; L127-A129 PolarHBondContact O-N 2.79Å; L127-A129 VanDerWaalsContact O-N 3.1Å; L127-Y183 HydrophobicContact CD2-CD2 3.53Å; L127-Y183 HydrophobicContact CD2-CE2 3.61Å; L127-F184 HydrophobicContact CD1-CE2 4.17Å; L127-F184 HydrophobicContact CD1-CZ 3.98Å; L127-F184 HydrophobicContact CD2-CE2 4.15Å; L127-F184 HydrophobicContact CD2-CZ 4.47Å; L127-F184 HydrophobicContact CG-CE2 4.28Å; L127-F184 HydrophobicContact CG-CZ 4.12Å
128C97.9Very high98Very high0 Ų047.2 Ų47.20%026%0.263CS..SBendtrans-81.281.3162.9-173.50000108.6A111 C116 F121 D122 S125 P126 H130A111-C128 PolarHBondContact N-SG 2.85Å; C116-C128 HydrophobicContact CB-CB 3.8Å; C116-C128 WeakPolarHBondContact CB-SG 3.26Å; C116-C128 WeakPolarHBondContact SG-CA 3.43Å; C116-C128 WeakPolarHBondContact SG-CB 3.36Å; C116-C128 CovalentContact SG-SG 2.03Å; C116-C128 PolarHBondContact SG-SG 3.18Å; F121-C128 HydrophobicContact CB-CB 4.09Å; D122-C128 VanDerWaalsContact O-CB 3.31Å; D122-C128 WeakPolarHBondContact O-CB 3.49Å; S125-C128 WeakPolarHBondContact O-CA 3.37Å; S125-C128 WeakPolarHBondContact O-CB 3.3Å; S125-C128 PolarHBondContact O-N 3.49Å; P126-C128 VanDerWaalsContact C-N 3.28Å; C128-H130 PolarHBondContact O-N 3.28Å; C128-H130 PolarHBondContact O-ND1 3.25Å
129A98.1Very high98.1Very high1 Ų147.1 Ų47.11%0.00826%0.263CS..  trans-60.1136.1-165.900000112.1I30 V39 I43 L110 L127 L181 D182I30-A129 HydrophobicContact CD1-CB 3.64Å; V39-A129 HydrophobicContact CG1-CB 4.38Å; I43-A129 HydrophobicContact CD1-CB 3.79Å; L110-A129 HydrophobicContact CD1-CB 4.11Å; L110-A129 PolarHBondContact N-O 3.1Å; L127-A129 VanDerWaalsContact C-N 3.25Å; L127-A129 PolarHBondContact O-N 2.79Å; L127-A129 VanDerWaalsContact O-N 3.1Å; A129-L181 CarbonylContact C-O 3.46Å; A129-L181 WeakPolarHBondContact CA-O 3.21Å; A129-D182 HydrophobicContact CB-CB 3.97Å
130H98.6Very high98.2Very high33 Ų3342.6 Ų42.615%0.15324%0.242CC..EExtended strand (participates in β ladder)trans-143.1157.2178.861.9-85.7000111.4M108 C128 L181M108-H130 CarbonylContact O-C 3.49Å; M108-H130 WeakPolarHBondContact O-CA 3.14Å; M108-H130 WeakPolarHBondContact O-CB 3.2Å; C128-H130 PolarHBondContact O-N 3.28Å; C128-H130 PolarHBondContact O-ND1 3.25Å; H130-L181 VanDerWaalsContact CE1-CB 3.41Å; H130-L181 WeakPolarHBondContact CE1-CB 3.31Å; H130-L181 PolarHBondContact N-O 3.23Å; H130-L181 WeakPolarHBondContact NE2-CD1 3.47Å; H130-L181 PolarHBondContact O-N 3.16Å
131I98.8Very high98.2Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-122.2154.4177.560.1-177.9000111.5A40 I43 A44 S107 M108 L133 W179 V180A40-I131 HydrophobicContact CB-CG2 3.92Å; I43-I131 HydrophobicContact CB-CD1 4.09Å; I43-I131 HydrophobicContact CB-CG1 4.35Å; I43-I131 HydrophobicContact CB-CG2 4.27Å; I43-I131 HydrophobicContact CD1-CG2 3.79Å; I43-I131 HydrophobicContact CG2-CD1 3.92Å; I43-I131 HydrophobicContact CG2-CG1 3.81Å; I43-I131 HydrophobicContact CG2-CG2 4.43Å; A44-I131 HydrophobicContact CB-CD1 3.99Å; S107-I131 WeakPolarHBondContact CA-O 3.34Å; S107-I131 PolarHBondContact OG-O 3.26Å; M108-I131 HydrophobicContact CB-CD1 4.38Å; M108-I131 HydrophobicContact CB-CG1 3.94Å; M108-I131 HydrophobicContact CE-CD1 3.78Å; M108-I131 HydrophobicContact CE-CG1 4.24Å; M108-I131 PolarHBondContact N-O 3.47Å; M108-I131 VanDerWaalsContact N-O 3.12Å; M108-I131 PolarHBondContact O-N 2.84Å; I131-L133 HydrophobicContact CD1-CD1 4.42Å; I131-L133 HydrophobicContact CD1-CD2 4.21Å; I131-L133 HydrophobicContact CD1-CG 4.32Å; I131-W179 VanDerWaalsContact CA-O 3.26Å; I131-W179 WeakPolarHBondContact CA-O 3.18Å; I131-V180 HydrophobicContact CG2-CG1 4.36Å; I131-V180 HydrophobicContact CG2-CG2 4.07Å
132I98.9Very high98.2Very high52 Ų5244.8 Ų44.827%0.26725%0.253SS..EExtended strand (participates in β ladder)trans-125.4125.6168-54.9161.9000106.5S105 L106 W179S105-I132 VanDerWaalsContact OG-CG2 3.27Å; S105-I132 WeakPolarHBondContact OG-CG2 3.27Å; L106-I132 CarbonylContact O-C 3.55Å; L106-I132 VanDerWaalsContact O-CA 3.28Å; L106-I132 WeakPolarHBondContact O-CA 3.21Å; I132-W179 HydrophobicContact CB-CB 4.22Å; I132-W179 HydrophobicContact CB-CE3 4.14Å; I132-W179 HydrophobicContact CG2-CE3 4.01Å; I132-W179 HydrophobicContact CG2-CZ3 4.4Å; I132-W179 PolarHBondContact N-O 3.46Å; I132-W179 PolarHBondContact O-N 3.16Å
133L98.9Very high98.1Very high0 Ų045.9 Ų45.90%026%0.264CS..EExtended strand (participates in β ladder)trans-112.6120.2176.9-51.3178.5000108.1P84 S105 L106 M108 I131 F173 I175 Q177 V178P84-L133 HydrophobicContact CG-CD1 3.86Å; S105-L133 CarbonylContact C-O 3.52Å; S105-L133 VanDerWaalsContact CA-O 3.23Å; S105-L133 WeakPolarHBondContact CA-O 3.23Å; S105-L133 PolarHBondContact OG-O 2.84Å; L106-L133 HydrophobicContact CB-CB 4.25Å; L106-L133 PolarHBondContact N-O 3.39Å; L106-L133 PolarHBondContact O-N 3.11Å; M108-L133 HydrophobicContact CE-CD1 3.44Å; M108-L133 VanDerWaalsContact CE-CD1 3.44Å; M108-L133 HydrophobicContact CE-CG 4.18Å; I131-L133 HydrophobicContact CD1-CD1 4.42Å; I131-L133 HydrophobicContact CD1-CD2 4.21Å; I131-L133 HydrophobicContact CD1-CG 4.32Å; L133-F173 HydrophobicContact CB-CD1 4.28Å; L133-F173 HydrophobicContact CB-CE1 3.75Å; L133-F173 WeakPolarHBondContact O-CE1 3.24Å; L133-F173 WeakPolarHBondContact O-CZ 3.41Å; L133-I175 HydrophobicContact CD1-CD1 3.97Å; L133-I175 HydrophobicContact CD1-CG1 4.33Å; L133-I175 HydrophobicContact CD2-CD1 4.34Å; L133-Q177 WeakPolarHBondContact CA-O 3.24Å; L133-V178 HydrophobicContact CD2-CB 4.19Å; L133-V178 HydrophobicContact CD2-CG1 3.81Å; L133-V178 HydrophobicContact CD2-CG2 3.75Å
134S98.8Very high98.1Very high32 Ų3245.2 Ų45.222%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-101.4143.2170.8176.40000110.4T176 Q177 W179S134-T176 PolarHBondContact O-N 2.91Å; S134-T176 PolarHBondContact O-OG1 2.79Å; S134-Q177 PolarHBondContact N-O 2.85Å; S134-Q177 PolarHBondContact O-N 2.91Å; S134-W179 VanDerWaalsContact CB-CZ3 3.45Å
135G98.6Very high98.1Very high0 Ų037.7 Ų37.70%022%0.221CC..EExtended strand (participates in β ladder)trans169.2-147.4-174.600000112.8Q103 A104 N174Q103-G135 WeakPolarHBondContact CA-O 3.35Å; Q103-G135 PolarHBondContact OE1-O 2.96Å; A104-G135 PolarHBondContact N-O 3.33Å; A104-G135 PolarHBondContact O-N 3.15Å; A104-G135 VanDerWaalsContact O-O 3.08Å; G135-N174 WeakPolarHBondContact CA-O 3.13Å
136S98.6Very high98.1Very high13 Ų1341.8 Ų41.89%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-141.1148.7-179.461.40000112.6P102 N174P102-S136 WeakPolarHBondContact O-CA 3.04Å; P102-S136 WeakPolarHBondContact O-CB 3.03Å; S136-N174 PolarHBondContact N-O 2.73Å; S136-N174 VanDerWaalsContact N-O 3.14Å; S136-N174 WeakPolarHBondContact O-CB 3.45Å; S136-N174 PolarHBondContact O-N 2.91Å
137V98.4Very high98.2Very high18 Ų1843.9 Ų43.911%0.10925%0.248CC..EExtended strand (participates in β ladder)trans-86.2127.1172.6-1800000109.5M52 M86 L88 L98 P102 A171 K172 F173M52-V137 HydrophobicContact CE-CG2 3.78Å; M52-V137 HydrophobicContact SD-CG2 4.06Å; M86-V137 HydrophobicContact CE-CG1 4.35Å; M86-V137 HydrophobicContact CE-CG2 4.47Å; M86-V137 HydrophobicContact SD-CG2 4.42Å; L88-V137 HydrophobicContact CD1-CG1 3.88Å; L98-V137 HydrophobicContact CD1-CB 3.85Å; L98-V137 HydrophobicContact CD1-CG1 4.24Å; L98-V137 HydrophobicContact CD1-CG2 3.73Å; L98-V137 HydrophobicContact CD2-CB 4.13Å; L98-V137 HydrophobicContact CD2-CG2 4.05Å; P102-V137 PolarHBondContact O-N 2.86Å; V137-A171 HydrophobicContact CG1-CB 3.74Å; V137-K172 WeakPolarHBondContact CA-O 3.2Å; V137-F173 HydrophobicContact CG2-CD2 3.95Å; V137-F173 HydrophobicContact CG2-CE2 4.43Å
138L97.8Very high98.2Very high71 Ų7142.1 Ų42.137%0.37224%0.238SC..EExtended strand (participates in β ladder)trans-125.2132.4179.2-57.4178.6000109.8A171 K172 N174L138-A171 CarbonylContact O-C 3.56Å; L138-A171 WeakPolarHBondContact O-CA 3.48Å; L138-A171 WeakPolarHBondContact O-CB 3.07Å; L138-K172 HydrophobicContact CB-CG 4.3Å; L138-K172 PolarHBondContact N-O 2.84Å; L138-K172 PolarHBondContact O-N 3.36Å; L138-N174 HydrophobicContact CD1-CB 3.75Å; L138-N174 HydrophobicContact CG-CB 4.18Å
139Q98.1Very high98.3Very high105 Ų10546.8 Ų46.849%0.49126%0.259SS..EExtended strand (participates in β ladder)trans-63.9138.9169.4-178173.5-6.800110.1F169Q139-F169 HydrophobicContact CB-CD2 4.21Å; Q139-F169 HydrophobicContact CB-CE2 4.47Å; Q139-F169 HydrophobicContact CG-CB 4.47Å; Q139-F169 HydrophobicContact CG-CD2 3.87Å; Q139-F169 HydrophobicContact CG-CG 4.48Å
140V98.1Very high98.3Very high6 Ų653.4 Ų53.44%0.03629%0.287CS..  trans-113.4147.2176.8-63.50000110.7E144 A145 A148 F170 K172V140-E144 HydrophobicContact CB-CB 4.34Å; V140-E144 HydrophobicContact CB-CG 4.03Å; V140-E144 HydrophobicContact CG1-CG 3.98Å; V140-A145 HydrophobicContact CG2-CB 4.29Å; V140-A148 HydrophobicContact CG2-CB 4.12Å; V140-F170 HydrophobicContact CG2-CB 3.68Å; V140-F170 WeakPolarHBondContact CG2-O 3.46Å; V140-F170 PolarHBondContact N-O 3.48Å; V140-K172 HydrophobicContact CG1-CB 3.83Å; V140-K172 HydrophobicContact CG1-CD 3.6Å; V140-K172 HydrophobicContact CG1-CG 3.59Å
141N97.3Very high98.3Very high116 Ų11651.9 Ų51.962%0.6228%0.28SS*.  trans-135.7169.3-176.5-65.4-44.1000110.5
142G97.3Very high98.3Very high53 Ų5351.9 Ų51.955%0.54628%0.28SS..Hα-helixtrans60.9-138.4175.900000113E144 A145 D146G142-E144 VanDerWaalsContact C-N 3.27Å; G142-E144 PolarHBondContact O-N 2.9Å; G142-A145 WeakPolarHBondContact O-CB 3.39Å; G142-A145 PolarHBondContact O-N 2.93Å; G142-A145 VanDerWaalsContact O-N 3.08Å; G142-D146 PolarHBondContact O-N 3Å
143T97.2Very high98.2Very high124 Ų12451 Ų5176%0.76128%0.275SS*.Hα-helixtrans-63.9-28.5-175.353.90000113.8D146 F147T143-D146 PolarHBondContact O-N 3.19Å; T143-F147 PolarHBondContact O-N 3.18Å
144E98.3Very high98.2Very high62 Ų6253.4 Ų53.429%0.2929%0.291SS..Hα-helixtrans-70.7-36.6175.1-171.7171.3-153.500111.1Y85 V140 G142 F147 A148 K172Y85-E144 HydrophobicContact CE1-CG 4.05Å; Y85-E144 PolarHBondContact OH-OE1 3.09Å; V140-E144 HydrophobicContact CB-CB 4.34Å; V140-E144 HydrophobicContact CB-CG 4.03Å; V140-E144 HydrophobicContact CG1-CG 3.98Å; G142-E144 VanDerWaalsContact C-N 3.27Å; G142-E144 PolarHBondContact O-N 2.9Å; E144-F147 PolarHBondContact O-N 2.91Å; E144-A148 WeakPolarHBondContact O-CB 3.2Å; E144-A148 PolarHBondContact O-N 3.22Å; E144-K172 WeakPolarHBondContact OE1-CD 3.33Å; E144-K172 IonicContact OE1-NZ 3.15Å; E144-K172 PolarHBondContact OE1-NZ 2.68Å; E144-K172 IonicContact OE2-NZ 3.49Å; E144-K172 PolarHBondContact OE2-NZ 2.87Å
145A98.4Very high98.2Very high14 Ų1453 Ų5312%0.11629%0.285CS..Hα-helixtrans-66.3-36.617400000112.2V140 G142 F147 A148 K149 F170V140-A145 HydrophobicContact CG2-CB 4.29Å; G142-A145 WeakPolarHBondContact O-CB 3.39Å; G142-A145 PolarHBondContact O-N 2.93Å; G142-A145 VanDerWaalsContact O-N 3.08Å; A145-F147 VanDerWaalsContact C-N 3.33Å; A145-F147 PolarHBondContact O-N 2.74Å; A145-A148 PolarHBondContact O-N 2.89Å; A145-K149 WeakPolarHBondContact O-CB 3.46Å; A145-K149 PolarHBondContact O-N 3.24Å; A145-F170 HydrophobicContact CB-CB 4.44Å; A145-F170 HydrophobicContact CB-CD2 4.24Å
146D98.3Very high98.2Very high114 Ų11453.5 Ų53.561%0.6129%0.287SS*.Hα-helixtrans-62.6-40.9174.3-67-32.6000111.7G142 T143 K150G142-D146 PolarHBondContact O-N 3Å; T143-D146 PolarHBondContact O-N 3.19Å; D146-K150 PolarHBondContact O-N 3.01Å; D146-K150 VanDerWaalsContact O-N 3.11Å
147F98.2Very high98.2Very high70 Ų7056.4 Ų56.431%0.30731%0.306SS..Hα-helixtrans-66.3-47173.7-178.2-92000111.7Y85 T143 E144 A145 K149 K150 A151Y85-F147 HydrophobicContact CD2-CD1 4.41Å; Y85-F147 HydrophobicContact CD2-CE1 4.33Å; Y85-F147 AromaticContact CE2-CD1 3.69Å; Y85-F147 HydrophobicContact CE2-CD1 3.69Å; Y85-F147 AromaticContact CE2-CE1 3.64Å; Y85-F147 HydrophobicContact CE2-CE1 3.64Å; Y85-F147 AromaticContact CZ-CD1 3.96Å; T143-F147 PolarHBondContact O-N 3.18Å; E144-F147 PolarHBondContact O-N 2.91Å; A145-F147 VanDerWaalsContact C-N 3.33Å; A145-F147 PolarHBondContact O-N 2.74Å; F147-K149 VanDerWaalsContact C-N 3.31Å; F147-K149 PolarHBondContact O-N 3.26Å; F147-K150 PolarHBondContact O-N 2.64Å; F147-K150 VanDerWaalsContact O-N 3.16Å; F147-A151 HydrophobicContact CE1-CB 4.26Å; F147-A151 WeakPolarHBondContact O-CB 3.42Å; F147-A151 PolarHBondContact O-N 3.38Å
148A98.6Very high98.2Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-56.3-46.1177.700000111.2Y85 V140 E144 A145 K150 A151 L152 F170Y85-A148 HydrophobicContact CD1-CB 3.38Å; Y85-A148 HydrophobicContact CE1-CB 3.91Å; Y85-A148 HydrophobicContact CG-CB 3.75Å; V140-A148 HydrophobicContact CG2-CB 4.12Å; E144-A148 WeakPolarHBondContact O-CB 3.2Å; E144-A148 PolarHBondContact O-N 3.22Å; A145-A148 PolarHBondContact O-N 2.89Å; A148-K150 PolarHBondContact O-N 2.78Å; A148-A151 PolarHBondContact O-N 2.99Å; A148-L152 WeakPolarHBondContact O-CB 3.23Å; A148-L152 WeakPolarHBondContact O-CD1 3.44Å; A148-L152 WeakPolarHBondContact O-CG 3.06Å; A148-L152 PolarHBondContact O-N 3.41Å; A148-F170 HydrophobicContact CB-CB 4Å; A148-F170 HydrophobicContact CB-CD1 4.19Å; A148-F170 HydrophobicContact CB-CG 4.22Å
149K98.6Very high98.2Very high99 Ų9956.8 Ų56.843%0.4330%0.304SS..Hα-helixtrans-55.6-50.7174.4-177.8174.6-177.6177.10111.9A145 F147 A151 L152 F153 F170A145-K149 WeakPolarHBondContact O-CB 3.46Å; A145-K149 PolarHBondContact O-N 3.24Å; F147-K149 VanDerWaalsContact C-N 3.31Å; F147-K149 PolarHBondContact O-N 3.26Å; K149-A151 VanDerWaalsContact C-N 3.35Å; K149-A151 PolarHBondContact O-N 3.2Å; K149-L152 PolarHBondContact O-N 2.93Å; K149-F153 HydrophobicContact CD-CE2 4.25Å; K149-F153 VanDerWaalsContact CE-CE2 3.47Å; K149-F153 HydrophobicContact CG-CD2 3.83Å; K149-F153 HydrophobicContact CG-CE2 3.83Å; K149-F153 HydrophobicContact CG-CG 4.29Å; K149-F153 HydrophobicContact CG-CZ 4.22Å; K149-F153 VanDerWaalsContact O-CB 3.3Å; K149-F153 WeakPolarHBondContact O-CB 3.39Å; K149-F153 WeakPolarHBondContact O-CG 3.26Å; K149-F153 PolarHBondContact O-N 3.22Å; K149-F170 VanDerWaalsContact CA-CE1 3.5Å; K149-F170 HydrophobicContact CB-CD1 4.46Å; K149-F170 HydrophobicContact CB-CD2 4.5Å; K149-F170 HydrophobicContact CB-CE1 3.79Å; K149-F170 HydrophobicContact CB-CE2 3.83Å; K149-F170 HydrophobicContact CB-CZ 3.44Å; K149-F170 VanDerWaalsContact CB-CZ 3.44Å; K149-F170 HydrophobicContact CD-CE2 4.23Å; K149-F170 HydrophobicContact CD-CZ 4.01Å; K149-F170 HydrophobicContact CG-CE1 4.19Å; K149-F170 HydrophobicContact CG-CE2 4.18Å; K149-F170 HydrophobicContact CG-CZ 3.57Å
150K98.3Very high98.2Very high140 Ų14056.7 Ų56.761%0.60931%0.306SS*.Hα-helixtrans-60.1-45.5177.9-176.4-176.8177.6-1780111.4P76 D146 F147 A148 S154P76-K150 HydrophobicContact CG-CD 4.37Å; P76-K150 HydrophobicContact CG-CG 4.11Å; D146-K150 PolarHBondContact O-N 3.01Å; D146-K150 VanDerWaalsContact O-N 3.11Å; F147-K150 PolarHBondContact O-N 2.64Å; F147-K150 VanDerWaalsContact O-N 3.16Å; A148-K150 PolarHBondContact O-N 2.78Å; K150-S154 WeakPolarHBondContact O-CB 3.42Å; K150-S154 PolarHBondContact O-N 3.47Å; K150-S154 PolarHBondContact O-OG 3.32Å; K150-S154 VanDerWaalsContact O-OG 3.09Å
151A98.4Very high98.2Very high0 Ų063.1 Ų63.10%034%0.34CS..Hα-helixtrans-61.1-51.2179.800000111.4S73 F147 A148 K149 S154S73-A151 WeakPolarHBondContact CB-O 3.36Å; S73-A151 PolarHBondContact OG-O 2.9Å; F147-A151 HydrophobicContact CE1-CB 4.26Å; F147-A151 WeakPolarHBondContact O-CB 3.42Å; F147-A151 PolarHBondContact O-N 3.38Å; A148-A151 PolarHBondContact O-N 2.99Å; K149-A151 VanDerWaalsContact C-N 3.35Å; K149-A151 PolarHBondContact O-N 3.2Å; A151-S154 PolarHBondContact O-OG 3.29Å
152L98.8Very high98.3Very high0 Ų061 Ų610%032%0.323CS..Hα-helixtrans-66.2-53.4-178.1-77.5155.8000111.8Y85 M86 A148 K149 S154 R155 H156 M159 F170Y85-L152 WeakPolarHBondContact O-CD2 3.24Å; M86-L152 VanDerWaalsContact C-CD1 3.42Å; M86-L152 WeakPolarHBondContact O-CD1 3.34Å; A148-L152 WeakPolarHBondContact O-CB 3.23Å; A148-L152 WeakPolarHBondContact O-CD1 3.44Å; A148-L152 WeakPolarHBondContact O-CG 3.06Å; A148-L152 PolarHBondContact O-N 3.41Å; K149-L152 PolarHBondContact O-N 2.93Å; L152-S154 PolarHBondContact O-N 3.02Å; L152-R155 PolarHBondContact O-N 2.84Å; L152-H156 WeakPolarHBondContact O-CB 3.2Å; L152-H156 PolarHBondContact O-N 3Å; L152-M159 HydrophobicContact CB-SD 4.07Å; L152-M159 HydrophobicContact CD2-CE 4.2Å; L152-M159 HydrophobicContact CD2-SD 4.13Å; L152-F170 HydrophobicContact CD1-CD1 3.71Å; L152-F170 HydrophobicContact CD1-CE1 4.1Å
153F98.4Very high98.3Very high35 Ų3561.4 Ų61.415%0.15432%0.317CS..Hα-helixtrans-69.5-20.8-174.2-68.46.4000112.8Y87 K149 R155 P157 M159 I160 F170Y87-F153 HydrophobicContact CD1-CE1 4.11Å; Y87-F153 HydrophobicContact CE1-CE1 4.04Å; Y87-F153 HydrophobicContact CE1-CZ 4.16Å; Y87-F153 HydrophobicContact CG-CE1 4.49Å; K149-F153 HydrophobicContact CD-CE2 4.25Å; K149-F153 VanDerWaalsContact CE-CE2 3.47Å; K149-F153 HydrophobicContact CG-CD2 3.83Å; K149-F153 HydrophobicContact CG-CE2 3.83Å; K149-F153 HydrophobicContact CG-CG 4.29Å; K149-F153 HydrophobicContact CG-CZ 4.22Å; K149-F153 VanDerWaalsContact O-CB 3.3Å; K149-F153 WeakPolarHBondContact O-CB 3.39Å; K149-F153 WeakPolarHBondContact O-CG 3.26Å; K149-F153 PolarHBondContact O-N 3.22Å; F153-R155 VanDerWaalsContact C-N 3.34Å; F153-P157 WeakPolarHBondContact O-CA 3.34Å; F153-M159 HydrophobicContact CD1-CB 3.66Å; F153-M159 HydrophobicContact CD1-SD 4.42Å; F153-M159 HydrophobicContact CE1-CB 3.53Å; F153-M159 HydrophobicContact CZ-CB 4.44Å; F153-I160 HydrophobicContact CB-CD1 4.35Å; F153-I160 HydrophobicContact CB-CG1 4.06Å; F153-I160 HydrophobicContact CD2-CD1 4.34Å; F153-I160 HydrophobicContact CD2-CG1 3.45Å; F153-I160 VanDerWaalsContact CD2-CG1 3.45Å; F153-I160 HydrophobicContact CE2-CG1 3.91Å; F153-I160 HydrophobicContact CG-CG1 3.83Å; F153-F170 HydrophobicContact CE1-CE1 4.1Å; F153-F170 HydrophobicContact CE1-CZ 4.21Å; F153-F170 HydrophobicContact CZ-CE1 4.47Å; F153-F170 HydrophobicContact CZ-CZ 4.11Å
154S98Very high98.2Very high49 Ų4961.7 Ų61.734%0.34332%0.318SS..Hα-helixtrans-73.3-25.2172.6710000113.8P76 K150 A151 L152P76-S154 VanDerWaalsContact CA-OG 3.29Å; P76-S154 WeakPolarHBondContact CA-OG 3.39Å; K150-S154 WeakPolarHBondContact O-CB 3.42Å; K150-S154 PolarHBondContact O-N 3.47Å; K150-S154 PolarHBondContact O-OG 3.32Å; K150-S154 VanDerWaalsContact O-OG 3.09Å; A151-S154 PolarHBondContact O-OG 3.29Å; L152-S154 PolarHBondContact O-N 3.02Å
155R98.1Very high98.2Very high25 Ų2564.3 Ų64.39%0.09433%0.334CS..Hα-helixtrans-102.3-29.5179.7-64.4-173.472.3112.3-3.3112.8H45 Q46 D48 S73 L152 F153 P157H45-R155 PolarHBondContact O-NH1 3.03Å; H45-R155 PolarHBondContact O-NH2 3.29Å; Q46-R155 PolarHBondContact O-NH2 3.41Å; D48-R155 VanDerWaalsContact CG-NH2 3.33Å; D48-R155 IonicContact OD1-CZ 3.98Å; D48-R155 IonicContact OD1-NE 3.04Å; D48-R155 PolarHBondContact OD1-NE 3.39Å; D48-R155 IonicContact OD1-NH2 2.72Å; D48-R155 PolarHBondContact OD1-NH2 3.39Å; D48-R155 IonicContact OD2-NH2 2.85Å; S73-R155 WeakPolarHBondContact OG-CD 3.3Å; L152-R155 PolarHBondContact O-N 2.84Å; F153-R155 VanDerWaalsContact C-N 3.34Å; R155-P157 WeakPolarHBondContact O-CD 3.4Å
156H98.6Very high98.1Very high9 Ų966.2 Ų66.24%0.04234%0.341CS..  trans-125.169.6-178.2-56.2-80.8000109.1D48 V72 L152 E158 M159D48-H156 PolarHBondContact O-CE1 2.77Å; D48-H156 PolarHBondContact O-NE2 3.13Å; V72-H156 PolarHBondContact O-NE2 3.43Å; L152-H156 WeakPolarHBondContact O-CB 3.2Å; L152-H156 PolarHBondContact O-N 3Å; H156-E158 VanDerWaalsContact CA-OE2 3.29Å; H156-E158 WeakPolarHBondContact CA-OE2 3.21Å; H156-E158 IonicContact ND1-OE1 3.32Å; H156-E158 PolarHBondContact O-N 2.64Å; H156-E158 VanDerWaalsContact O-N 3.16Å; H156-M159 HydrophobicContact CB-CE 3.75Å; H156-M159 HydrophobicContact CB-CG 3.76Å; H156-M159 HydrophobicContact CB-SD 3.66Å; H156-M159 WeakPolarHBondContact O-CB 3.44Å; H156-M159 PolarHBondContact O-N 3.48Å
157P98.4Very high98.1Very high75 Ų7566.6 Ų66.649%0.48734%0.342SS..G310 helixtrans-59.2-25.8-175.624.9-34.8000113.2F153 R155 M159 I160F153-P157 WeakPolarHBondContact O-CA 3.34Å; R155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-M159 PolarHBondContact O-N 3.19Å; P157-I160 WeakPolarHBondContact O-CB 3.43Å; P157-I160 WeakPolarHBondContact O-CG1 3.44Å; P157-I160 PolarHBondContact O-N 2.9Å
158E98.4Very high98.1Very high93 Ų9366 Ų6644%0.43534%0.338SS..G310 helixtrans-62-24.6175.570.3-84.8-15700113.5H156 I160 D161 W162H156-E158 VanDerWaalsContact CA-OE2 3.29Å; H156-E158 WeakPolarHBondContact CA-OE2 3.21Å; H156-E158 IonicContact ND1-OE1 3.32Å; H156-E158 PolarHBondContact O-N 2.64Å; H156-E158 VanDerWaalsContact O-N 3.16Å; E158-I160 PolarHBondContact O-N 3.48Å; E158-D161 PolarHBondContact O-N 3.29Å; E158-D161 VanDerWaalsContact O-N 3.08Å; E158-W162 PolarHBondContact O-NE1 3.05Å
159M98.6Very high98.1Very high3 Ų367.1 Ų67.12%0.01534%0.343CS..G310 helixtrans-64.1-19.9178.2-70.2-178.2176.100113.1Y87 L152 F153 H156 P157 D161 W162Y87-M159 HydrophobicContact CD1-CB 4.09Å; Y87-M159 HydrophobicContact CD1-CG 4.26Å; Y87-M159 HydrophobicContact CD1-SD 4.18Å; Y87-M159 HydrophobicContact CE1-CB 4.49Å; Y87-M159 HydrophobicContact CG-SD 4.4Å; L152-M159 HydrophobicContact CB-SD 4.07Å; L152-M159 HydrophobicContact CD2-CE 4.2Å; L152-M159 HydrophobicContact CD2-SD 4.13Å; F153-M159 HydrophobicContact CD1-CB 3.66Å; F153-M159 HydrophobicContact CD1-SD 4.42Å; F153-M159 HydrophobicContact CE1-CB 3.53Å; F153-M159 HydrophobicContact CZ-CB 4.44Å; H156-M159 HydrophobicContact CB-CE 3.75Å; H156-M159 HydrophobicContact CB-CG 3.76Å; H156-M159 HydrophobicContact CB-SD 3.66Å; H156-M159 WeakPolarHBondContact O-CB 3.44Å; H156-M159 PolarHBondContact O-N 3.48Å; P157-M159 PolarHBondContact O-N 3.19Å; M159-D161 PolarHBondContact O-N 3.1Å; M159-W162 HydrophobicContact CB-CD2 4.27Å; M159-W162 HydrophobicContact CB-CE3 4.45Å; M159-W162 HydrophobicContact CE-CH2 3.6Å; M159-W162 HydrophobicContact CE-CZ2 4.15Å; M159-W162 HydrophobicContact CE-CZ3 4.13Å; M159-W162 HydrophobicContact CG-CD2 4.03Å; M159-W162 HydrophobicContact CG-CE3 4.07Å; M159-W162 HydrophobicContact CG-CH2 3.73Å; M159-W162 HydrophobicContact CG-CZ2 3.63Å; M159-W162 HydrophobicContact CG-CZ3 3.92Å; M159-W162 HydrophobicContact SD-CH2 4.34Å; M159-W162 HydrophobicContact SD-CZ3 4.46Å
160I98.3Very high98.1Very high103 Ų10363.8 Ų63.853%0.52833%0.329SS..G310 helixtrans-62.9-36.1175.1-64168.8000110.6F153 P157 E158F153-I160 HydrophobicContact CB-CD1 4.35Å; F153-I160 HydrophobicContact CB-CG1 4.06Å; F153-I160 HydrophobicContact CD2-CD1 4.34Å; F153-I160 HydrophobicContact CD2-CG1 3.45Å; F153-I160 VanDerWaalsContact CD2-CG1 3.45Å; F153-I160 HydrophobicContact CE2-CG1 3.91Å; F153-I160 HydrophobicContact CG-CG1 3.83Å; P157-I160 WeakPolarHBondContact O-CB 3.43Å; P157-I160 WeakPolarHBondContact O-CG1 3.44Å; P157-I160 PolarHBondContact O-N 2.9Å; E158-I160 PolarHBondContact O-N 3.48Å
161D98.1Very high98.1Very high141 Ų14157.1 Ų57.175%0.75430%0.3SS*.G310 helixtrans-100.66.5-172.6-61.3-39.9000112.8E158 M159E158-D161 PolarHBondContact O-N 3.29Å; E158-D161 VanDerWaalsContact O-N 3.08Å; M159-D161 PolarHBondContact O-N 3.1Å
162W98.3Very high98.1Very high72 Ų7259.3 Ų59.327%0.27331%0.309SS..SBendtrans-64146.6177.8-75.56.7000111.8Y87 E158 M159 T164 W168Y87-W162 AromaticContact CD1-CE3 3.65Å; Y87-W162 HydrophobicContact CD1-CE3 3.65Å; Y87-W162 AromaticContact CD1-CZ3 3.89Å; Y87-W162 HydrophobicContact CD1-CZ3 3.89Å; Y87-W162 HydrophobicContact CE1-CE3 4.1Å; E158-W162 PolarHBondContact O-NE1 3.05Å; M159-W162 HydrophobicContact CB-CD2 4.27Å; M159-W162 HydrophobicContact CB-CE3 4.45Å; M159-W162 HydrophobicContact CE-CH2 3.6Å; M159-W162 HydrophobicContact CE-CZ2 4.15Å; M159-W162 HydrophobicContact CE-CZ3 4.13Å; M159-W162 HydrophobicContact CG-CD2 4.03Å; M159-W162 HydrophobicContact CG-CE3 4.07Å; M159-W162 HydrophobicContact CG-CH2 3.73Å; M159-W162 HydrophobicContact CG-CZ2 3.63Å; M159-W162 HydrophobicContact CG-CZ3 3.92Å; M159-W162 HydrophobicContact SD-CH2 4.34Å; M159-W162 HydrophobicContact SD-CZ3 4.46Å; W162-T164 PolarHBondContact O-N 2.69Å; W162-W168 HydrophobicContact CB-CZ2 4.05Å; W162-W168 HydrophobicContact CD2-CH2 4.11Å; W162-W168 HydrophobicContact CD2-CZ2 4.02Å; W162-W168 AromaticContact CE3-CD2 3.91Å; W162-W168 HydrophobicContact CE3-CD2 3.91Å; W162-W168 AromaticContact CE3-CE2 3.75Å; W162-W168 AromaticContact CE3-CE3 3.72Å; W162-W168 HydrophobicContact CE3-CE3 3.72Å; W162-W168 AromaticContact CE3-CH2 3.29Å; W162-W168 HydrophobicContact CE3-CH2 3.29Å; W162-W168 AromaticContact CE3-CZ2 3.47Å; W162-W168 HydrophobicContact CE3-CZ2 3.47Å; W162-W168 VanDerWaalsContact CE3-CZ2 3.47Å; W162-W168 AromaticContact CE3-CZ3 3.42Å; W162-W168 HydrophobicContact CE3-CZ3 3.42Å; W162-W168 VanDerWaalsContact CE3-CZ3 3.42Å; W162-W168 HydrophobicContact CG-CZ2 4.3Å; W162-W168 HydrophobicContact CH2-CZ3 4.49Å; W162-W168 AromaticContact CZ3-CE3 3.89Å; W162-W168 HydrophobicContact CZ3-CE3 3.89Å; W162-W168 AromaticContact CZ3-CH2 3.55Å; W162-W168 HydrophobicContact CZ3-CH2 3.55Å; W162-W168 HydrophobicContact CZ3-CZ2 4.21Å; W162-W168 AromaticContact CZ3-CZ3 3.35Å; W162-W168 HydrophobicContact CZ3-CZ3 3.35Å
163P98Very high98.1Very high62 Ų6259.4 Ų59.440%0.40331%0.31SS..  trans-56.9124.8-173.8-24.933.8000112.7D165 H166 W168P163-D165 VanDerWaalsContact C-N 3.28Å; P163-D165 VanDerWaalsContact CB-OD1 3.23Å; P163-D165 WeakPolarHBondContact CB-OD1 3.48Å; P163-D165 PolarHBondContact O-N 2.5Å; P163-H166 PolarHBondContact O-N 2.67Å; P163-W168 VanDerWaalsContact O-CD1 3.27Å; P163-W168 PolarHBondContact O-NE1 2.93Å
164T95.7Very high98.1Very high130 Ų13061.1 Ų61.180%0.79832%0.32SS*.G310 helixtrans-72.6-21.4-173.252.20000113.4W162 H166W162-T164 PolarHBondContact O-N 2.69Å; T164-H166 PolarHBondContact O-N 2.86Å
165D96.9Very high98.2Very high116 Ų11659.2 Ų59.262%0.6231%0.306SS*.G310 helixtrans-75.2-8178.263.1-32.4000113.7P163 N167P163-D165 VanDerWaalsContact C-N 3.28Å; P163-D165 VanDerWaalsContact CB-OD1 3.23Å; P163-D165 WeakPolarHBondContact CB-OD1 3.48Å; P163-D165 PolarHBondContact O-N 2.5Å; D165-N167 PolarHBondContact O-N 3.3Å; D165-N167 PolarHBondContact O-ND2 3.44Å
166H97.6Very high98.2Very high55 Ų5561.4 Ų61.426%0.25532%0.323SS..G310 helixtrans-80.60.8174.5-68.4-166000113.8T89 M91 P163 T164 W168T89-H166 WeakPolarHBondContact CB-O 3.37Å; T89-H166 PolarHBondContact OG1-O 3.21Å; M91-H166 HydrophobicContact SD-CB 4.12Å; P163-H166 PolarHBondContact O-N 2.67Å; T164-H166 PolarHBondContact O-N 2.86Å; H166-W168 HydrophobicContact CB-CD2 4.45Å; H166-W168 HydrophobicContact CB-CZ2 4.04Å; H166-W168 AromaticContact ND1-CZ2 3.68Å; H166-W168 PolarHBondContact O-N 3.46Å
167N97.2Very high98.2Very high121 Ų12163.6 Ų63.665%0.64733%0.333SS*.  trans52.252.9175.7-58.7-64.1000113.6D165D165-N167 PolarHBondContact O-N 3.3Å; D165-N167 PolarHBondContact O-ND2 3.44Å
168W98.5Very high98.2Very high57 Ų5760 Ų6022%0.21631%0.31CS..  trans-64.1146.6-178.9-57.395.9000113Y87 L88 T89 W162 P163 H166Y87-W168 HydrophobicContact CD1-CB 4.25Å; Y87-W168 HydrophobicContact CD1-CD2 4.22Å; Y87-W168 HydrophobicContact CD1-CE3 4.13Å; Y87-W168 HydrophobicContact CD1-CG 4.28Å; Y87-W168 HydrophobicContact CD2-CB 4Å; Y87-W168 HydrophobicContact CE1-CB 3.64Å; Y87-W168 HydrophobicContact CE1-CD2 4Å; Y87-W168 HydrophobicContact CE1-CE3 4.38Å; Y87-W168 AromaticContact CE1-CG 3.67Å; Y87-W168 HydrophobicContact CE1-CG 3.67Å; Y87-W168 HydrophobicContact CE2-CB 3.35Å; Y87-W168 HydrophobicContact CE2-CG 4.29Å; Y87-W168 HydrophobicContact CG-CB 4.42Å; Y87-W168 HydrophobicContact CG-CE3 4.48Å; Y87-W168 AromaticContact CZ-CG 3.69Å; Y87-W168 WeakPolarHBondContact OH-CB 3.29Å; L88-W168 CarbonylContact O-C 3.41Å; L88-W168 WeakPolarHBondContact O-CA 3.17Å; T89-W168 HydrophobicContact CG2-CE3 4.11Å; T89-W168 HydrophobicContact CG2-CH2 3.95Å; T89-W168 HydrophobicContact CG2-CZ3 3.68Å; W162-W168 HydrophobicContact CB-CZ2 4.05Å; W162-W168 HydrophobicContact CD2-CH2 4.11Å; W162-W168 HydrophobicContact CD2-CZ2 4.02Å; W162-W168 AromaticContact CE3-CD2 3.91Å; W162-W168 HydrophobicContact CE3-CD2 3.91Å; W162-W168 AromaticContact CE3-CE2 3.75Å; W162-W168 AromaticContact CE3-CE3 3.72Å; W162-W168 HydrophobicContact CE3-CE3 3.72Å; W162-W168 AromaticContact CE3-CH2 3.29Å; W162-W168 HydrophobicContact CE3-CH2 3.29Å; W162-W168 AromaticContact CE3-CZ2 3.47Å; W162-W168 HydrophobicContact CE3-CZ2 3.47Å; W162-W168 VanDerWaalsContact CE3-CZ2 3.47Å; W162-W168 AromaticContact CE3-CZ3 3.42Å; W162-W168 HydrophobicContact CE3-CZ3 3.42Å; W162-W168 VanDerWaalsContact CE3-CZ3 3.42Å; W162-W168 HydrophobicContact CG-CZ2 4.3Å; W162-W168 HydrophobicContact CH2-CZ3 4.49Å; W162-W168 AromaticContact CZ3-CE3 3.89Å; W162-W168 HydrophobicContact CZ3-CE3 3.89Å; W162-W168 AromaticContact CZ3-CH2 3.55Å; W162-W168 HydrophobicContact CZ3-CH2 3.55Å; W162-W168 HydrophobicContact CZ3-CZ2 4.21Å; W162-W168 AromaticContact CZ3-CZ3 3.35Å; W162-W168 HydrophobicContact CZ3-CZ3 3.35Å; P163-W168 VanDerWaalsContact O-CD1 3.27Å; P163-W168 PolarHBondContact O-NE1 2.93Å; H166-W168 HydrophobicContact CB-CD2 4.45Å; H166-W168 HydrophobicContact CB-CZ2 4.04Å; H166-W168 AromaticContact ND1-CZ2 3.68Å; H166-W168 PolarHBondContact O-N 3.46Å
169F98.8Very high98.2Very high24 Ų2459.4 Ų59.411%0.10530%0.303CS..EExtended strand (participates in β ladder)trans-136.1153.5174.963.8-89.5000111.2L88 H90 V95 Q139 A171L88-F169 HydrophobicContact CB-CD2 4.34Å; L88-F169 HydrophobicContact CB-CE1 4Å; L88-F169 HydrophobicContact CB-CE2 3.79Å; L88-F169 HydrophobicContact CB-CZ 3.59Å; L88-F169 HydrophobicContact CD1-CE2 4.19Å; L88-F169 HydrophobicContact CD1-CZ 4.37Å; L88-F169 PolarHBondContact N-O 2.8Å; L88-F169 VanDerWaalsContact O-CD1 3.28Å; L88-F169 WeakPolarHBondContact O-CD1 3.49Å; L88-F169 PolarHBondContact O-N 3.17Å; H90-F169 AromaticContact CE1-CE1 3.52Å; H90-F169 AromaticContact CE1-CZ 3.9Å; H90-F169 AromaticContact ND1-CE1 3.75Å; H90-F169 AromaticContact NE2-CD1 3.96Å; H90-F169 AromaticContact NE2-CE1 3.71Å; V95-F169 HydrophobicContact CG1-CE1 4.3Å; V95-F169 HydrophobicContact CG1-CZ 3.92Å; Q139-F169 HydrophobicContact CB-CD2 4.21Å; Q139-F169 HydrophobicContact CB-CE2 4.47Å; Q139-F169 HydrophobicContact CG-CB 4.47Å; Q139-F169 HydrophobicContact CG-CD2 3.87Å; Q139-F169 HydrophobicContact CG-CG 4.48Å; F169-A171 HydrophobicContact CD2-CB 4.35Å; F169-A171 HydrophobicContact CE2-CB 4.1Å
170F98.8Very high98.2Very high30 Ų3059.2 Ų59.213%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-86.5136.6174.5-62.8-72.1000110.2Y87 V140 A145 A148 K149 L152 F153Y87-F170 AromaticContact CD2-CD1 3.52Å; Y87-F170 HydrophobicContact CD2-CD1 3.52Å; Y87-F170 AromaticContact CD2-CE1 3.25Å; Y87-F170 HydrophobicContact CD2-CE1 3.25Å; Y87-F170 HydrophobicContact CD2-CE2 4.33Å; Y87-F170 HydrophobicContact CD2-CG 4.17Å; Y87-F170 AromaticContact CD2-CZ 3.69Å; Y87-F170 HydrophobicContact CD2-CZ 3.69Å; Y87-F170 HydrophobicContact CE2-CD1 4.09Å; Y87-F170 HydrophobicContact CE2-CD2 4.42Å; Y87-F170 AromaticContact CE2-CE1 3.54Å; Y87-F170 HydrophobicContact CE2-CE1 3.54Å; Y87-F170 AromaticContact CE2-CE2 3.91Å; Y87-F170 HydrophobicContact CE2-CE2 3.91Å; Y87-F170 HydrophobicContact CE2-CG 4.49Å; Y87-F170 AromaticContact CE2-CZ 3.42Å; Y87-F170 HydrophobicContact CE2-CZ 3.42Å; Y87-F170 VanDerWaalsContact CE2-CZ 3.42Å; Y87-F170 HydrophobicContact CG-CD1 4.36Å; Y87-F170 AromaticContact CG-CE1 3.98Å; Y87-F170 HydrophobicContact CG-CE1 3.98Å; V140-F170 HydrophobicContact CG2-CB 3.68Å; V140-F170 WeakPolarHBondContact CG2-O 3.46Å; V140-F170 PolarHBondContact N-O 3.48Å; A145-F170 HydrophobicContact CB-CB 4.44Å; A145-F170 HydrophobicContact CB-CD2 4.24Å; A148-F170 HydrophobicContact CB-CB 4Å; A148-F170 HydrophobicContact CB-CD1 4.19Å; A148-F170 HydrophobicContact CB-CG 4.22Å; K149-F170 VanDerWaalsContact CA-CE1 3.5Å; K149-F170 HydrophobicContact CB-CD1 4.46Å; K149-F170 HydrophobicContact CB-CD2 4.5Å; K149-F170 HydrophobicContact CB-CE1 3.79Å; K149-F170 HydrophobicContact CB-CE2 3.83Å; K149-F170 HydrophobicContact CB-CZ 3.44Å; K149-F170 VanDerWaalsContact CB-CZ 3.44Å; K149-F170 HydrophobicContact CD-CE2 4.23Å; K149-F170 HydrophobicContact CD-CZ 4.01Å; K149-F170 HydrophobicContact CG-CE1 4.19Å; K149-F170 HydrophobicContact CG-CE2 4.18Å; K149-F170 HydrophobicContact CG-CZ 3.57Å; L152-F170 HydrophobicContact CD1-CD1 3.71Å; L152-F170 HydrophobicContact CD1-CE1 4.1Å; F153-F170 HydrophobicContact CE1-CE1 4.1Å; F153-F170 HydrophobicContact CE1-CZ 4.21Å; F153-F170 HydrophobicContact CZ-CE1 4.47Å; F153-F170 HydrophobicContact CZ-CZ 4.11Å
171A98.7Very high98.2Very high0 Ų056.2 Ų56.20%029%0.288CS..EExtended strand (participates in β ladder)trans-131.6159.3176.600000110.9Y85 M86 L88 V137 L138 F169Y85-A171 CarbonylContact C-O 3.52Å; Y85-A171 VanDerWaalsContact CA-O 3.25Å; Y85-A171 WeakPolarHBondContact CA-O 3.36Å; M86-A171 PolarHBondContact N-O 2.88Å; M86-A171 PolarHBondContact O-N 3.49Å; L88-A171 HydrophobicContact CD1-CB 3.67Å; L88-A171 HydrophobicContact CG-CB 4.32Å; V137-A171 HydrophobicContact CG1-CB 3.74Å; L138-A171 CarbonylContact O-C 3.56Å; L138-A171 WeakPolarHBondContact O-CA 3.48Å; L138-A171 WeakPolarHBondContact O-CB 3.07Å; F169-A171 HydrophobicContact CD2-CB 4.35Å; F169-A171 HydrophobicContact CE2-CB 4.1Å
172K98.6Very high98.2Very high46 Ų4650 Ų5020%0.225%0.254CS..EExtended strand (participates in β ladder)trans-122.6153.3170.672.9-179.4172-163.90111.2V83 P84 Y85 M86 V137 L138 V140 E144V83-K172 HydrophobicContact CG1-CB 3.72Å; V83-K172 HydrophobicContact CG1-CD 4.24Å; V83-K172 HydrophobicContact CG1-CG 4.47Å; P84-K172 CarbonylContact O-C 3.07Å; P84-K172 WeakPolarHBondContact O-CA 3.44Å; Y85-K172 HydrophobicContact CD1-CB 3.79Å; Y85-K172 HydrophobicContact CE1-CB 3.77Å; M86-K172 VanDerWaalsContact CE-C 3.46Å; V137-K172 WeakPolarHBondContact CA-O 3.2Å; L138-K172 HydrophobicContact CB-CG 4.3Å; L138-K172 PolarHBondContact N-O 2.84Å; L138-K172 PolarHBondContact O-N 3.36Å; V140-K172 HydrophobicContact CG1-CB 3.83Å; V140-K172 HydrophobicContact CG1-CD 3.6Å; V140-K172 HydrophobicContact CG1-CG 3.59Å; E144-K172 WeakPolarHBondContact OE1-CD 3.33Å; E144-K172 IonicContact OE1-NZ 3.15Å; E144-K172 PolarHBondContact OE1-NZ 2.68Å; E144-K172 IonicContact OE2-NZ 3.49Å; E144-K172 PolarHBondContact OE2-NZ 2.87Å
173F98.8Very high98.2Very high1 Ų151.4 Ų51.40%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-91.9110.4168.4-164.2-95.3000109.7P84 M86 A104 L106 L133 V137 I175P84-F173 HydrophobicContact CB-CB 4.01Å; P84-F173 HydrophobicContact CG-CB 4.06Å; P84-F173 PolarHBondContact O-N 2.92Å; M86-F173 HydrophobicContact CE-CB 3.86Å; A104-F173 HydrophobicContact CB-CE2 3.92Å; A104-F173 WeakPolarHBondContact O-CZ 3.37Å; L106-F173 HydrophobicContact CD1-CB 3.82Å; L106-F173 HydrophobicContact CD1-CD1 3.89Å; L106-F173 HydrophobicContact CD1-CD2 3.64Å; L106-F173 HydrophobicContact CD1-CE1 4.35Å; L106-F173 HydrophobicContact CD1-CE2 4.13Å; L106-F173 HydrophobicContact CD1-CG 3.49Å; L106-F173 VanDerWaalsContact CD1-CG 3.49Å; L106-F173 HydrophobicContact CD1-CZ 4.45Å; L106-F173 HydrophobicContact CD2-CD2 4.26Å; L106-F173 HydrophobicContact CD2-CE2 4.27Å; L106-F173 HydrophobicContact CG-CD1 4.25Å; L106-F173 HydrophobicContact CG-CD2 3.68Å; L106-F173 HydrophobicContact CG-CE1 4.23Å; L106-F173 HydrophobicContact CG-CE2 3.66Å; L106-F173 HydrophobicContact CG-CG 3.98Å; L106-F173 HydrophobicContact CG-CZ 3.93Å; L133-F173 HydrophobicContact CB-CD1 4.28Å; L133-F173 HydrophobicContact CB-CE1 3.75Å; L133-F173 WeakPolarHBondContact O-CE1 3.24Å; L133-F173 WeakPolarHBondContact O-CZ 3.41Å; V137-F173 HydrophobicContact CG2-CD2 3.95Å; V137-F173 HydrophobicContact CG2-CE2 4.43Å; F173-I175 HydrophobicContact CD1-CG1 3.82Å; F173-I175 HydrophobicContact CE1-CG1 4.33Å; F173-I175 PolarHBondContact O-N 3.08Å
174N98.6Very high98.1Very high71 Ų7154.5 Ų54.538%0.3827%0.268SS..EExtended strand (participates in β ladder)trans-80.398.3176.9-179.246.6000109.9G135 S136 L138G135-N174 WeakPolarHBondContact CA-O 3.13Å; S136-N174 PolarHBondContact N-O 2.73Å; S136-N174 VanDerWaalsContact N-O 3.14Å; S136-N174 WeakPolarHBondContact O-CB 3.45Å; S136-N174 PolarHBondContact O-N 2.91Å; L138-N174 HydrophobicContact CD1-CB 3.75Å; L138-N174 HydrophobicContact CG-CB 4.18Å
175I98.8Very high98.1Very high9 Ų952.5 Ų52.55%0.04627%0.273CS..EExtended strand (participates in β ladder)trans-72.9127.7-175.1-58.8169.5000110.3L133 F173 V178 Y195 F196L133-I175 HydrophobicContact CD1-CD1 3.97Å; L133-I175 HydrophobicContact CD1-CG1 4.33Å; L133-I175 HydrophobicContact CD2-CD1 4.34Å; F173-I175 HydrophobicContact CD1-CG1 3.82Å; F173-I175 HydrophobicContact CE1-CG1 4.33Å; F173-I175 PolarHBondContact O-N 3.08Å; I175-V178 HydrophobicContact CG2-CG2 3.53Å; I175-Y195 HydrophobicContact CD1-CD1 4.05Å; I175-Y195 HydrophobicContact CD1-CE1 3.47Å; I175-Y195 VanDerWaalsContact CD1-CE1 3.47Å; I175-F196 HydrophobicContact CB-CZ 4.45Å; I175-F196 HydrophobicContact CD1-CZ 3.97Å
176T98.5Very high98Very high72 Ų7248.9 Ų48.944%0.44226%0.262SS..EExtended strand (participates in β ladder)trans-112.5-25.1173.358.30000112.4S134 P192S134-T176 PolarHBondContact O-N 2.91Å; S134-T176 PolarHBondContact O-OG1 2.79Å; T176-P192 VanDerWaalsContact O-CG 3.29Å; T176-P192 WeakPolarHBondContact O-CG 3.29Å
177Q98.5Very high98Very high55 Ų5549.7 Ų49.726%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-150139.9178.5-172.957.170.400110.8L133 S134 W179 V190L133-Q177 WeakPolarHBondContact CA-O 3.24Å; S134-Q177 PolarHBondContact N-O 2.85Å; S134-Q177 PolarHBondContact O-N 2.91Å; Q177-W179 HydrophobicContact CB-CH2 3.76Å; Q177-W179 HydrophobicContact CB-CZ2 4.28Å; Q177-W179 HydrophobicContact CB-CZ3 3.9Å; Q177-W179 HydrophobicContact CG-CD2 4.04Å; Q177-W179 HydrophobicContact CG-CE3 3.99Å; Q177-W179 HydrophobicContact CG-CH2 3.29Å; Q177-W179 HydrophobicContact CG-CZ2 3.32Å; Q177-W179 HydrophobicContact CG-CZ3 3.63Å; Q177-V190 PolarHBondContact NE2-O 3.09Å; Q177-V190 VanDerWaalsContact NE2-O 3.15Å
178V98.8Very high98.1Very high0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-120.2133.3175-177.40000109.6A40 L133 I175 V180 V190 Y195A40-V178 HydrophobicContact CB-CG1 3.95Å; L133-V178 HydrophobicContact CD2-CB 4.19Å; L133-V178 HydrophobicContact CD2-CG1 3.81Å; L133-V178 HydrophobicContact CD2-CG2 3.75Å; I175-V178 HydrophobicContact CG2-CG2 3.53Å; V178-V180 HydrophobicContact CG1-CG2 4.05Å; V178-V190 HydrophobicContact CB-CB 4.03Å; V178-V190 WeakPolarHBondContact CB-O 3.46Å; V178-V190 HydrophobicContact CG1-CB 4.17Å; V178-V190 PolarHBondContact N-O 3.06Å; V178-V190 PolarHBondContact O-N 3.07Å; V178-Y195 HydrophobicContact CG1-CD2 4.34Å; V178-Y195 HydrophobicContact CG2-CD2 4.1Å; V178-Y195 HydrophobicContact CG2-CG 4.12Å
179W98.8Very high98.1Very high79 Ų7948 Ų4830%0.29927%0.267SS..EExtended strand (participates in β ladder)trans-119142.4167.5-66.8-87.8000110.2I131 I132 S134 Q177 V187 K188I131-W179 VanDerWaalsContact CA-O 3.26Å; I131-W179 WeakPolarHBondContact CA-O 3.18Å; I132-W179 HydrophobicContact CB-CB 4.22Å; I132-W179 HydrophobicContact CB-CE3 4.14Å; I132-W179 HydrophobicContact CG2-CE3 4.01Å; I132-W179 HydrophobicContact CG2-CZ3 4.4Å; I132-W179 PolarHBondContact N-O 3.46Å; I132-W179 PolarHBondContact O-N 3.16Å; S134-W179 VanDerWaalsContact CB-CZ3 3.45Å; Q177-W179 HydrophobicContact CB-CH2 3.76Å; Q177-W179 HydrophobicContact CB-CZ2 4.28Å; Q177-W179 HydrophobicContact CB-CZ3 3.9Å; Q177-W179 HydrophobicContact CG-CD2 4.04Å; Q177-W179 HydrophobicContact CG-CE3 3.99Å; Q177-W179 HydrophobicContact CG-CH2 3.29Å; Q177-W179 HydrophobicContact CG-CZ2 3.32Å; Q177-W179 HydrophobicContact CG-CZ3 3.63Å; W179-V187 HydrophobicContact CB-CG2 3.53Å; W179-V187 HydrophobicContact CG-CG2 3.94Å; W179-K188 CarbonylContact C-O 3.53Å; W179-K188 VanDerWaalsContact CA-O 3.3Å; W179-K188 WeakPolarHBondContact CA-O 3.27Å
180V98.8Very high98Very high0 Ų047.1 Ų47.10%026%0.263CS..EExtended strand (participates in β ladder)trans-131128.8-177.8-172.40000109.5V36 V39 A40 I131 V178 D182 K188 V190V36-V180 HydrophobicContact CG1-CB 3.69Å; V36-V180 HydrophobicContact CG1-CG1 4.04Å; V36-V180 HydrophobicContact CG1-CG2 3.74Å; V39-V180 HydrophobicContact CB-CG1 4.45Å; V39-V180 HydrophobicContact CG1-CG1 4.04Å; A40-V180 HydrophobicContact CB-CG2 3.74Å; I131-V180 HydrophobicContact CG2-CG1 4.36Å; I131-V180 HydrophobicContact CG2-CG2 4.07Å; V178-V180 HydrophobicContact CG1-CG2 4.05Å; V180-D182 HydrophobicContact CG1-CB 3.96Å; V180-K188 PolarHBondContact N-O 3.39Å; V180-K188 PolarHBondContact O-N 3.2Å; V180-V190 HydrophobicContact CG2-CG2 4.07Å
181L98.3Very high98Very high40 Ų4047.7 Ų47.721%0.20927%0.271CS..EExtended strand (participates in β ladder)trans-117.1102.2168.9-84.7142.4000107.1P126 A129 H130 V187P126-L181 HydrophobicContact CB-CD2 4.42Å; A129-L181 CarbonylContact C-O 3.46Å; A129-L181 WeakPolarHBondContact CA-O 3.21Å; H130-L181 VanDerWaalsContact CE1-CB 3.41Å; H130-L181 WeakPolarHBondContact CE1-CB 3.31Å; H130-L181 PolarHBondContact N-O 3.23Å; H130-L181 WeakPolarHBondContact NE2-CD1 3.47Å; H130-L181 PolarHBondContact O-N 3.16Å; L181-V187 HydrophobicContact CD1-CB 4.29Å; L181-V187 HydrophobicContact CD1-CG2 4.12Å; L181-V187 HydrophobicContact CD2-CB 4.43Å; L181-V187 HydrophobicContact CG-CB 4.15Å; L181-V187 HydrophobicContact CG-CG2 4.11Å
182D97.2Very high98Very high9 Ų949.2 Ų49.25%0.04828%0.281CS..  trans-134-4.8-175.267.2-18.5000113.4H33 V39 P126 A129 V180 K188H33-D182 WeakPolarHBondContact CA-OD2 3.47Å; V39-D182 HydrophobicContact CG1-CB 3.84Å; P126-D182 CarbonylContact O-C 3.3Å; P126-D182 WeakPolarHBondContact O-CA 3.45Å; A129-D182 HydrophobicContact CB-CB 3.97Å; V180-D182 HydrophobicContact CG1-CB 3.96Å; D182-K188 VanDerWaalsContact OD1-CE 3.29Å; D182-K188 WeakPolarHBondContact OD1-CE 3.38Å; D182-K188 IonicContact OD1-NZ 2.65Å; D182-K188 PolarHBondContact OD1-NZ 3.46Å; D182-K188 IonicContact OD2-NZ 3.68Å; D182-K188 PolarHBondContact OD2-NZ 3.17Å
183Y97.7Very high98Very high102 Ų10252.5 Ų52.540%0.430%0.301SS..SBendtrans-161.9171.8175.7-147.9-111.7000111.9P126 L127P126-Y183 WeakPolarHBondContact CB-O 3.31Å; L127-Y183 HydrophobicContact CD2-CD2 3.53Å; L127-Y183 HydrophobicContact CD2-CE2 3.61Å
184F96.8Very high98Very high128 Ų12857.4 Ų57.456%0.56132%0.324SS*.SBendtrans-63.7154.1174.3-55.2-68.4000112P126 L127P126-F184 HydrophobicContact CG-CD1 3.77Å; P126-F184 HydrophobicContact CG-CE1 3.96Å; P126-F184 HydrophobicContact CG-CG 4.49Å; L127-F184 HydrophobicContact CD1-CE2 4.17Å; L127-F184 HydrophobicContact CD1-CZ 3.98Å; L127-F184 HydrophobicContact CD2-CE2 4.15Å; L127-F184 HydrophobicContact CD2-CZ 4.47Å; L127-F184 HydrophobicContact CG-CE2 4.28Å; L127-F184 HydrophobicContact CG-CZ 4.12Å
185G95.8Very high98Very high88 Ų8854 Ų5491%0.90731%0.306SS*.SBendtrans110.60.9179.700000115
186G95.4Very high97.9Very high39 Ų3957.5 Ų57.540%0.40232%0.321SS..SBendtrans99-176.617700000113.3
187V97.1Very high97.8Very high73 Ų7361.8 Ų61.844%0.44234%0.336SS..  trans-72.4138-176.370.30000111.4W179 L181W179-V187 HydrophobicContact CB-CG2 3.53Å; W179-V187 HydrophobicContact CG-CG2 3.94Å; L181-V187 HydrophobicContact CD1-CB 4.29Å; L181-V187 HydrophobicContact CD1-CG2 4.12Å; L181-V187 HydrophobicContact CD2-CB 4.43Å; L181-V187 HydrophobicContact CG-CB 4.15Å; L181-V187 HydrophobicContact CG-CG2 4.11Å
188K98.4Very high97.7Very high52 Ų5260 Ų6023%0.22633%0.33CS..EExtended strand (participates in β ladder)trans-101.1143.7173.4-57.1176.7-169.7157.70109.6H33 V36 W179 V180 D182H33-K188 PolarHBondContact O-NZ 2.89Å; V36-K188 HydrophobicContact CB-CD 4.32Å; V36-K188 HydrophobicContact CG1-CB 3.71Å; V36-K188 HydrophobicContact CG1-CD 3.83Å; V36-K188 HydrophobicContact CG1-CG 4.44Å; V36-K188 HydrophobicContact CG2-CD 3.47Å; V36-K188 VanDerWaalsContact CG2-CD 3.47Å; W179-K188 CarbonylContact C-O 3.53Å; W179-K188 VanDerWaalsContact CA-O 3.3Å; W179-K188 WeakPolarHBondContact CA-O 3.27Å; V180-K188 PolarHBondContact N-O 3.39Å; V180-K188 PolarHBondContact O-N 3.2Å; D182-K188 VanDerWaalsContact OD1-CE 3.29Å; D182-K188 WeakPolarHBondContact OD1-CE 3.38Å; D182-K188 IonicContact OD1-NZ 2.65Å; D182-K188 PolarHBondContact OD1-NZ 3.46Å; D182-K188 IonicContact OD2-NZ 3.68Å; D182-K188 PolarHBondContact OD2-NZ 3.17Å
189V98.2Very high97.3Very high91 Ų9161.9 Ų61.955%0.55235%0.346SS*.EExtended strand (participates in β ladder)trans-105.8132.2-178.2-1770000108.3
190V98.3Very high96.5Very high4 Ų458.7 Ų58.72%0.02434%0.335CS..EExtended strand (participates in β ladder)trans-124.7132.3176.8177.70000108.3V36 A37 Q177 V178 V180 E194V36-V190 HydrophobicContact CB-CG2 4Å; V36-V190 HydrophobicContact CG1-CG2 3.45Å; V36-V190 VanDerWaalsContact CG1-CG2 3.45Å; A37-V190 HydrophobicContact CB-CG1 3.76Å; Q177-V190 PolarHBondContact NE2-O 3.09Å; Q177-V190 VanDerWaalsContact NE2-O 3.15Å; V178-V190 HydrophobicContact CB-CB 4.03Å; V178-V190 WeakPolarHBondContact CB-O 3.46Å; V178-V190 HydrophobicContact CG1-CB 4.17Å; V178-V190 PolarHBondContact N-O 3.06Å; V178-V190 PolarHBondContact O-N 3.07Å; V180-V190 HydrophobicContact CG2-CG2 4.07Å; V190-E194 HydrophobicContact CG1-CB 3.77Å
191S98.3Very high95.6Very high42 Ų4262.3 Ų62.329%0.29435%0.352SS..  trans-71.6153.317464.30000111.2D193 E194 Y195S191-D193 PolarHBondContact O-N 3.42Å; S191-E194 WeakPolarHBondContact CB-OE2 3.25Å; S191-E194 PolarHBondContact N-OE2 3.22Å; S191-E194 PolarHBondContact O-N 3.15Å; S191-E194 WeakPolarHBondContact OG-CB 3.48Å; S191-E194 VanDerWaalsContact OG-CD 3.25Å; S191-E194 WeakPolarHBondContact OG-CG 3.42Å; S191-E194 PolarHBondContact OG-N 3.38Å; S191-E194 PolarHBondContact OG-OE2 3.41Å; S191-Y195 WeakPolarHBondContact O-CB 3.29Å; S191-Y195 PolarHBondContact O-N 2.98Å
192P98.3Very high94.2Very high32 Ų3269 Ų6921%0.20837%0.374CS..Hα-helixtrans-53-39.1172.4-28.636.4000112.9T176 Y195 F196T176-P192 VanDerWaalsContact O-CG 3.29Å; T176-P192 WeakPolarHBondContact O-CG 3.29Å; P192-Y195 WeakPolarHBondContact O-CB 3.45Å; P192-Y195 PolarHBondContact O-N 2.89Å; P192-F196 HydrophobicContact CB-CD2 4.37Å; P192-F196 HydrophobicContact CB-CE2 4.32Å; P192-F196 WeakPolarHBondContact O-CD2 3.2Å; P192-F196 PolarHBondContact O-N 2.81Å
193D98.3Very high92.2Very high116 Ų11676.3 Ų76.362%0.6241%0.406SS*.Hα-helixtrans-62.3-49.1179.2-69.8-16.7000112S191 Y195 F196 Q197S191-D193 PolarHBondContact O-N 3.42Å; D193-Y195 VanDerWaalsContact C-N 3.3Å; D193-Y195 PolarHBondContact O-N 3.06Å; D193-F196 PolarHBondContact O-N 3.12Å; D193-Q197 WeakPolarHBondContact O-CB 3.35Å; D193-Q197 WeakPolarHBondContact O-CG 3.01Å; D193-Q197 PolarHBondContact O-N 2.8Å
194E98.2Very high89.8Confident104 Ų10480.4 Ų80.449%0.48643%0.428SS..Hα-helixtrans-61.2-40.4176.1-71.8164.3138.100111.7A37 V190 S191 A198A37-E194 HydrophobicContact CB-CB 4.29Å; V190-E194 HydrophobicContact CG1-CB 3.77Å; S191-E194 WeakPolarHBondContact CB-OE2 3.25Å; S191-E194 PolarHBondContact N-OE2 3.22Å; S191-E194 PolarHBondContact O-N 3.15Å; S191-E194 WeakPolarHBondContact OG-CB 3.48Å; S191-E194 VanDerWaalsContact OG-CD 3.25Å; S191-E194 WeakPolarHBondContact OG-CG 3.42Å; S191-E194 PolarHBondContact OG-N 3.38Å; S191-E194 PolarHBondContact OG-OE2 3.41Å; E194-A198 WeakPolarHBondContact O-CB 3.4Å; E194-A198 PolarHBondContact O-N 3.14Å; E194-A198 VanDerWaalsContact O-N 3.15Å
195Y98.6Very high86.9Confident0 Ų085.9 Ų85.90%046%0.455CS..Hα-helixtrans-61.7-48.8177.6174.4-94.1000112A40 R41 A44 G82 I175 V178 S191 P192 D193 A198A40-Y195 HydrophobicContact CB-CD2 3.77Å; A40-Y195 HydrophobicContact CB-CE2 3.87Å; R41-Y195 VanDerWaalsContact CD-CE2 3.42Å; R41-Y195 WeakPolarHBondContact CD-O 3.41Å; R41-Y195 HydrophobicContact CG-CD2 3.92Å; R41-Y195 HydrophobicContact CG-CE2 3.85Å; R41-Y195 HydrophobicContact CG-CG 4.36Å; R41-Y195 WeakPolarHBondContact CG-O 3.49Å; R41-Y195 PolarHBondContact NH1-O 3.08Å; A44-Y195 VanDerWaalsContact CB-OH 3.29Å; A44-Y195 WeakPolarHBondContact CB-OH 3.41Å; G82-Y195 WeakPolarHBondContact O-CE1 3.34Å; G82-Y195 VanDerWaalsContact O-CZ 3.32Å; G82-Y195 PolarHBondContact O-OH 3.01Å; I175-Y195 HydrophobicContact CD1-CD1 4.05Å; I175-Y195 HydrophobicContact CD1-CE1 3.47Å; I175-Y195 VanDerWaalsContact CD1-CE1 3.47Å; V178-Y195 HydrophobicContact CG1-CD2 4.34Å; V178-Y195 HydrophobicContact CG2-CD2 4.1Å; V178-Y195 HydrophobicContact CG2-CG 4.12Å; S191-Y195 WeakPolarHBondContact O-CB 3.29Å; S191-Y195 PolarHBondContact O-N 2.98Å; P192-Y195 WeakPolarHBondContact O-CB 3.45Å; P192-Y195 PolarHBondContact O-N 2.89Å; D193-Y195 VanDerWaalsContact C-N 3.3Å; D193-Y195 PolarHBondContact O-N 3.06Å; Y195-A198 PolarHBondContact O-N 3.41Å
196F97.9Very high86.4Confident81 Ų8185.8 Ų85.836%0.35543%0.432SS..Hα-helixtrans-74.4-28.2-177.8-72.4-62000113R41 V83 I175 P192 D193R41-F196 PolarHBondContact NH1-O 3.5Å; R41-F196 VanDerWaalsContact NH1-O 3.14Å; V83-F196 HydrophobicContact CG2-CE1 3.59Å; V83-F196 HydrophobicContact CG2-CZ 4.06Å; I175-F196 HydrophobicContact CB-CZ 4.45Å; I175-F196 HydrophobicContact CD1-CZ 3.97Å; P192-F196 HydrophobicContact CB-CD2 4.37Å; P192-F196 HydrophobicContact CB-CE2 4.32Å; P192-F196 WeakPolarHBondContact O-CD2 3.2Å; P192-F196 PolarHBondContact O-N 2.81Å; D193-F196 PolarHBondContact O-N 3.12Å
197Q96.9Very high85.9Confident163 Ų16388.2 Ų88.276%0.76243%0.434SS*.Hα-helixtrans-73.8-24.6174-71.1175.522.200113.5D193D193-Q197 WeakPolarHBondContact O-CB 3.35Å; D193-Q197 WeakPolarHBondContact O-CG 3.01Å; D193-Q197 PolarHBondContact O-N 2.8Å
198A95.6Very high85.3Confident16 Ų1689.1 Ų89.113%0.13243%0.433CS..SBendtrans-72.3142.7179.600000113.1A37 R38 R41 E194 Y195A37-A198 HydrophobicContact CB-CB 3.76Å; R38-A198 HydrophobicContact CG-CB 3.94Å; R41-A198 HydrophobicContact CG-CB 4.09Å; R41-A198 PolarHBondContact NH1-O 2.8Å; E194-A198 WeakPolarHBondContact O-CB 3.4Å; E194-A198 PolarHBondContact O-N 3.14Å; E194-A198 VanDerWaalsContact O-N 3.15Å; Y195-A198 PolarHBondContact O-N 3.41Å
199A90.7Very high84.5Confident40 Ų4091.2 Ų91.233%0.33145%0.446SS..  trans-97.9130.6170.400000111R38 H201R38-A199 WeakPolarHBondContact CG-O 3.45Å; R38-A199 PolarHBondContact NE-O 2.88Å; A199-H201 PolarHBondContact O-N 2.89Å
200P82.5Confident83.7Confident12 Ų1291.3 Ų91.38%0.07844%0.439CS..SBendtrans-65.4-42-178.322.9-31000112.1R38 R41 F42R38-P200 PolarHBondContact NH2-O 2.82Å; R38-P200 VanDerWaalsContact NH2-O 3.12Å; R41-P200 HydrophobicContact CB-CB 4.03Å; F42-P200 HydrophobicContact CB-CB 4.5Å
201H80.3Confident82.7Confident76 Ų7697.1 Ų97.135%0.35247%0.467SS..SBendtrans-103.7151.2177.7-55.9-63.4000111.1F42 H45 A199 K203F42-H201 AromaticContact CE2-CE1 3.99Å; H45-H201 AromaticContact CD2-NE2 3.36Å; H45-H201 PolarHBondContact CD2-NE2 3.4Å; H45-H201 AromaticContact NE2-NE2 3.97Å; A199-H201 PolarHBondContact O-N 2.89Å; H201-K203 PolarHBondContact O-N 3.24Å
202R67.7Low81.6Confident181 Ų181101 Ų10168%0.68348%0.479SS*.  trans-64.6131.7169.7-85.6-173.6169.5177.4-2.2108.3H204R202-H204 PolarHBondContact O-N 3.42Å
203K56Low80.3Confident163 Ų163106.3 Ų106.371%0.70950%0.5SS*.  trans-67.8115.2163-65.5-176.1-178.7179.80106.5H201 H205H201-K203 PolarHBondContact O-N 3.24Å; K203-H205 PolarHBondContact O-N 3.2Å
204H46.8Very low78.8Confident188 Ų188105.5 Ų105.587%0.8749%0.49SS*.  trans-68.3111.9164.2-70.3-77.3000106.2R202R202-H204 PolarHBondContact O-N 3.42Å
205H34.7Very low77.1Confident242 Ų242105.6 Ų105.6100%1.1249%0.49SS*.  trans-88.10168.7-77.3-73.9000109.2K203K203-H205 PolarHBondContact O-N 3.2Å

Retrieved 205 of 205 residues in 387.5 ms (Link to these results)

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