A0A077ZJT7_TRITR Loading...

Rep fac-A C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJT7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M36.5Very low35.2Very low240 Ų240138.3 Ų138.3100%1.18276%0.764SS**  068.80-70.9-157.9-72.800108.8
2E32.5Very low35.3Very low193 Ų193134.3 Ų134.390%0.90276%0.763SS**  trans-98.722.4-167-67.9176.4142.100113.7
3G34.2Very low35Very low64 Ų64128.8 Ų128.866%0.6675%0.754SS**SBendtrans-96.8-7.4-163.900000117.9
4I41.1Very low34.8Very low159 Ų159130.9 Ų130.982%0.81576%0.76SS**SBendtrans-113.8-12.4-165.8-61.2178.7000113.5
5Q38Very low34.7Very low174 Ų174131.4 Ų131.481%0.81377%0.767SS**THydrogen-bonded Turntrans-86.1-5-176.9-73.2-173.9-17.500115.9
6N35.7Very low34.5Very low112 Ų112127.4 Ų127.460%0.59976%0.762SS**THydrogen-bonded Turntrans-103.3-3.5-173.8-79.4-27.6000116.1
7L33.4Very low34.3Very low136 Ų136129.9 Ų129.971%0.71277%0.769SS**THydrogen-bonded Turntrans-83.7-17.8-179.2-89.6151.1000114.4
8S33.1Very low34.3Very low108 Ų108132.5 Ų132.576%0.75578%0.778SS**THydrogen-bonded Turntrans-85.2-15.5176.856.70000113.9
9A34.8Very low34.1Very low70 Ų70129.3 Ų129.358%0.57978%0.776SS**THydrogen-bonded Turntrans-101-23.4-177.500000114.2
10Q32.9Very low33.9Very low154 Ų154127.4 Ų127.472%0.7278%0.784SS**G310 helixtrans-84.2-12.4-177.5-96.5170.8-39.100115.2A12Q10-A12 VanDerWaalsContact C-N 3.33Å
11V35.4Very low33.8Very low111 Ų111130.3 Ų130.367%0.67379%0.786SS**G310 helixtrans-82.5-12.7176-176.20000112.2G13V11-G13 PolarHBondContact O-N 3.37Å
12A35.7Very low33.6Very low91 Ų91129 Ų12975%0.75277%0.768SS**G310 helixtrans-84.7-1.5179.800000114.8Q10Q10-A12 VanDerWaalsContact C-N 3.33Å
13G31.5Very low33.5Very low62 Ų62126 Ų12664%0.63976%0.762SS**SBendtrans-109.5-3.4-16800000117.6V11V11-G13 PolarHBondContact O-N 3.37Å
14N32.1Very low33.3Very low158 Ų158131.1 Ų131.185%0.84577%0.767SS**  trans-136.165.2-171.8-98.2-9.4000112.5
15T33.5Very low32.8Very low139 Ų139129.7 Ų129.785%0.85376%0.76SS**  trans-108.470.6161.453.80000109.1
16G31Very low32.2Very low67 Ų67126 Ų12669%0.69175%0.752SS**  trans-75.9136.6160.600000109.4L18G16-L18 PolarHBondContact O-N 3.18Å
17L31.1Very low31.8Very low170 Ų170125.4 Ų125.489%0.8976%0.755SS**SBendtrans-28.8119.8175.1-70.890.5000113.6
18L35.3Very low32Very low177 Ų177122.4 Ų122.493%0.92774%0.737SS**  trans170116.1143.6-89.7153000109.4G16G16-L18 PolarHBondContact O-N 3.18Å
19G30.7Very low32.1Very low72 Ų72123.5 Ų123.574%0.74273%0.733SS**  trans69.777.9150.400000119.4K21G19-K21 PolarHBondContact O-N 3.44Å
20G30Very low32.5Very low90 Ų90123 Ų12393%0.92872%0.724SS**  52.225.5122.900000122
21K32.3Very low33Very low190 Ų190118 Ų11883%0.82671%0.707SS**  trans-120.397.6166.6-72.3-175.2179.4-178.30109.8G19 T23G19-K21 PolarHBondContact O-N 3.44Å; K21-T23 PolarHBondContact O-N 3.27Å
22R32.2Very low33.6Very low213 Ų213119.2 Ų119.280%0.80470%0.702SS**  trans-7696.4170.8-79-178167.6175.1-3.9108.6F24R22-F24 HydrophobicContact CB-CD2 4.45Å; R22-F24 HydrophobicContact CB-CE2 4.37Å; R22-F24 PolarHBondContact O-N 3.42Å; R22-F24 VanDerWaalsContact O-N 3.1Å
23T28.9Very low34.4Very low128 Ų128115.6 Ų115.679%0.78567%0.67SS**  trans-68.699.6166.8-23.20000107.6K21 I25K21-T23 PolarHBondContact O-N 3.27Å; T23-I25 PolarHBondContact O-N 3.45Å; T23-I25 VanDerWaalsContact O-N 3.08Å
24F30.6Very low35.5Very low172 Ų172117.1 Ų117.175%0.75467%0.667SS**  trans-71.199.7168.3-87.6-93.4000107.5R22 C26R22-F24 HydrophobicContact CB-CD2 4.45Å; R22-F24 HydrophobicContact CB-CE2 4.37Å; R22-F24 PolarHBondContact O-N 3.42Å; R22-F24 VanDerWaalsContact O-N 3.1Å; F24-C26 VanDerWaalsContact C-N 3.26Å; F24-C26 PolarHBondContact O-N 3.36Å
25I30.9Very low36.5Very low130 Ų130110.1 Ų110.167%0.66763%0.629SS**  trans-6896.2162-66.8169.6000105.1T23 C27T23-I25 PolarHBondContact O-N 3.45Å; T23-I25 VanDerWaalsContact O-N 3.08Å; I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 3.33Å
26C25.8Very low37.4Very low95 Ų95106.5 Ų106.564%0.64261%0.614SS**  trans-66.596.7168.9-165.60000106.6F24 F28F24-C26 VanDerWaalsContact C-N 3.26Å; F24-C26 PolarHBondContact O-N 3.36Å; C26-F28 PolarHBondContact O-N 2.86Å
27C27.3Very low38.4Very low100 Ų100112.1 Ų112.168%0.67663%0.628SS**  trans-63.887165.3-71.40000107.1I25 L29I25-C27 VanDerWaalsContact C-N 3.3Å; I25-C27 PolarHBondContact O-N 3.33Å; C27-L29 PolarHBondContact O-N 3.39Å
28F37.9Very low39.9Very low73 Ų73105 Ų10532%0.3260%0.595SS.*  trans-66.875.4167.7-128.4-96.8000106.9C26 P30 L243C26-F28 PolarHBondContact O-N 2.86Å; F28-P30 WeakPolarHBondContact O-CD 3.33Å; F28-P30 VanDerWaalsContact O-N 3.09Å; F28-L243 HydrophobicContact CE1-CD2 4.44Å; F28-L243 HydrophobicContact CZ-CD2 4.07Å
29L34.8Very low41.6Very low132 Ų132103.1 Ų103.169%0.69158%0.579SS**  trans-64.1110.7173.6-110.7159.6000105.2C27 S31C27-L29 PolarHBondContact O-N 3.39Å; L29-S31 PolarHBondContact O-N 3.13Å; L29-S31 PolarHBondContact O-OG 3.33Å
30P42.5Very low43.9Very low58 Ų58100.3 Ų100.338%0.37755%0.548SS..  trans-89.382-161.841.7-37.2000104.5F28 K32 L45F28-P30 WeakPolarHBondContact O-CD 3.33Å; F28-P30 VanDerWaalsContact O-N 3.09Å; P30-K32 PolarHBondContact O-N 3.3Å; P30-L45 HydrophobicContact CB-CD1 3.26Å; P30-L45 HydrophobicContact CB-CD2 3.27Å; P30-L45 HydrophobicContact CB-CG 3.74Å; P30-L45 HydrophobicContact CG-CD1 3.63Å; P30-L45 HydrophobicContact CG-CD2 3.12Å; P30-L45 HydrophobicContact CG-CG 3.84Å
31S42.9Very low46.4Very low51 Ų5196.5 Ų96.536%0.35751%0.508SS..  trans-80.4125.9-161.610.90000107.9L29 L33 R207L29-S31 PolarHBondContact O-N 3.13Å; L29-S31 PolarHBondContact O-OG 3.33Å; S31-L33 PolarHBondContact O-N 3.1Å; S31-L33 VanDerWaalsContact O-N 3.08Å; S31-R207 PolarHBondContact O-NH2 2.8Å
32K48.6Very low48.8Very low135 Ų13588 Ų8859%0.58747%0.472SS*.  trans-50.7113.1-180-65.6176.1-178179.80109.5P30 K39 V40P30-K32 PolarHBondContact O-N 3.3Å; K32-K39 HydrophobicContact CB-CB 4.08Å; K32-K39 HydrophobicContact CB-CD 4.4Å; K32-K39 HydrophobicContact CB-CG 4.35Å; K32-K39 HydrophobicContact CD-CB 4.23Å; K32-K39 HydrophobicContact CD-CD 3.78Å; K32-K39 HydrophobicContact CD-CG 4.48Å; K32-V40 CarbonylContact C-O 3.47Å; K32-V40 WeakPolarHBondContact CA-O 3.35Å
33L52.4Low51.3Low15 Ų1578 Ų788%0.07944%0.435CS..EExtended strand (participates in β ladder)trans-72131.4173.2179.688.8000107.1S31 K39 V40 Y200 C203 R207S31-L33 PolarHBondContact O-N 3.1Å; S31-L33 VanDerWaalsContact O-N 3.08Å; L33-K39 CarbonylContact O-C 3.49Å; L33-V40 HydrophobicContact CB-CB 4.1Å; L33-V40 HydrophobicContact CD2-CB 4.32Å; L33-V40 HydrophobicContact CD2-CG1 4.48Å; L33-V40 PolarHBondContact N-O 3.17Å; L33-V40 VanDerWaalsContact O-CA 3.28Å; L33-V40 WeakPolarHBondContact O-CA 3.48Å; L33-V40 VanDerWaalsContact O-CB 3.27Å; L33-V40 WeakPolarHBondContact O-CB 3.41Å; L33-V40 PolarHBondContact O-N 3.41Å; L33-Y200 HydrophobicContact CD2-CE2 4.19Å; L33-C203 HydrophobicContact CD1-CB 4.32Å; L33-R207 HydrophobicContact CD1-CB 4.01Å; L33-R207 HydrophobicContact CD1-CG 4.38Å
34T55.5Low53.8Low94 Ų9474.1 Ų74.158%0.57742%0.42SS*.EExtended strand (participates in β ladder)trans-91.6123.3171.350.10000109.6G38 K39 C203T34-G38 CarbonylContact C-O 3.53Å; T34-G38 VanDerWaalsContact CA-O 3.27Å; T34-G38 WeakPolarHBondContact CA-O 3.46Å; T34-K39 HydrophobicContact CG2-CG 4.15Å; T34-C203 PolarHBondContact O-SG 3.15Å; T34-C203 VanDerWaalsContact O-SG 3.33Å
35Y53.5Low56.1Low12 Ų1268.9 Ų68.95%0.04740%0.4CS..EExtended strand (participates in β ladder)trans-139.6135.1175.6-175-90000109D37 G38 L169 S196 E199 Y200 C203Y35-D37 PolarHBondContact O-N 2.93Å; Y35-G38 PolarHBondContact N-O 3.2Å; Y35-G38 PolarHBondContact O-N 3.48Å; Y35-G38 VanDerWaalsContact O-O 3.11Å; Y35-L169 HydrophobicContact CD1-CD1 3.14Å; Y35-L169 HydrophobicContact CE1-CD1 3.37Å; Y35-L169 HydrophobicContact CG-CD1 4.17Å; Y35-S196 PolarHBondContact OH-N 2.92Å; Y35-S196 VanDerWaalsContact OH-N 3.11Å; Y35-S196 PolarHBondContact OH-O 2.86Å; Y35-S196 VanDerWaalsContact OH-O 3.06Å; Y35-S196 PolarHBondContact OH-OG 2.82Å; Y35-E199 HydrophobicContact CE2-CB 3.59Å; Y35-E199 PolarHBondContact OH-OE2 3.44Å; Y35-Y200 HydrophobicContact CD2-CD2 4.41Å; Y35-Y200 VanDerWaalsContact CE2-CA 3.48Å; Y35-Y200 HydrophobicContact CE2-CD2 4.39Å; Y35-C203 HydrophobicContact CD2-CB 4.16Å
36A50.5Low58.4Low63 Ų6363.2 Ų63.252%0.52137%0.371SS..THydrogen-bonded Turntrans4653.7179.100000114G38A36-G38 PolarHBondContact O-N 3.31Å; A36-G38 VanDerWaalsContact O-N 3.11Å
37D53.7Low60.2Low185 Ų18564.4 Ų64.499%0.98937%0.371SS*.THydrogen-bonded Turntrans66.63.6-179.9-53.5-38000116.4Y35Y35-D37 PolarHBondContact O-N 2.93Å
38G62.4Low61.8Low19 Ų1964 Ų6420%0.19637%0.365CS..EExtended strand (participates in β ladder)trans-116.5149.1178.900000113.8T34 Y35 A36 V40T34-G38 CarbonylContact C-O 3.53Å; T34-G38 VanDerWaalsContact CA-O 3.27Å; T34-G38 WeakPolarHBondContact CA-O 3.46Å; Y35-G38 PolarHBondContact N-O 3.2Å; Y35-G38 PolarHBondContact O-N 3.48Å; Y35-G38 VanDerWaalsContact O-O 3.11Å; A36-G38 PolarHBondContact O-N 3.31Å; A36-G38 VanDerWaalsContact O-N 3.11Å; G38-V40 PolarHBondContact O-N 3.04Å
39K70.2Confident62.5Low139 Ų13968.1 Ų68.160%0.60439%0.386SS*.EExtended strand (participates in β ladder)trans-78104.8167-70-179.3-171.1177.20108.8K32 L33 T34K32-K39 HydrophobicContact CB-CB 4.08Å; K32-K39 HydrophobicContact CB-CD 4.4Å; K32-K39 HydrophobicContact CB-CG 4.35Å; K32-K39 HydrophobicContact CD-CB 4.23Å; K32-K39 HydrophobicContact CD-CD 3.78Å; K32-K39 HydrophobicContact CD-CG 4.48Å; L33-K39 CarbonylContact O-C 3.49Å; T34-K39 HydrophobicContact CG2-CG 4.15Å
40V79.8Confident63.5Low12 Ų1262.4 Ų62.47%0.07336%0.357CS..EExtended strand (participates in β ladder)trans-72.8123.7167.2-176.20000110.1K32 L33 G38 T61K32-V40 CarbonylContact C-O 3.47Å; K32-V40 WeakPolarHBondContact CA-O 3.35Å; L33-V40 HydrophobicContact CB-CB 4.1Å; L33-V40 HydrophobicContact CD2-CB 4.32Å; L33-V40 HydrophobicContact CD2-CG1 4.48Å; L33-V40 PolarHBondContact N-O 3.17Å; L33-V40 VanDerWaalsContact O-CA 3.28Å; L33-V40 WeakPolarHBondContact O-CA 3.48Å; L33-V40 VanDerWaalsContact O-CB 3.27Å; L33-V40 WeakPolarHBondContact O-CB 3.41Å; L33-V40 PolarHBondContact O-N 3.41Å; G38-V40 PolarHBondContact O-N 3.04Å; V40-T61 CarbonylContact C-O 3.56Å; V40-T61 WeakPolarHBondContact CA-O 3.33Å; V40-T61 HydrophobicContact CG2-CG2 4.11Å
41A82.4Confident63.9Low11 Ų1163.2 Ų63.29%0.09136%0.363CS..  trans-107.9155173.300000109.7T61A41-T61 PolarHBondContact N-O 2.77Å
42A82.7Confident64.2Low10 Ų1066.3 Ų66.38%0.08339%0.385CS..  trans-81.3144.3166.400000109.3G44 L45 D120 F121A42-G44 VanDerWaalsContact C-N 3.28Å; A42-G44 PolarHBondContact O-N 3.4Å; A42-L45 HydrophobicContact CB-CD1 3.7Å; A42-L45 HydrophobicContact CB-CG 3.99Å; A42-L45 WeakPolarHBondContact O-CB 3.21Å; A42-L45 PolarHBondContact O-N 3.37Å; A42-L45 VanDerWaalsContact O-N 3.09Å; A42-D120 VanDerWaalsContact CA-OD2 3.26Å; A42-D120 WeakPolarHBondContact CA-OD2 3.29Å; A42-F121 HydrophobicContact CB-CE1 4.07Å; A42-F121 HydrophobicContact CB-CE2 4.11Å; A42-F121 HydrophobicContact CB-CZ 3.52Å
43L84.7Confident64.5Low5 Ų564.3 Ų64.33%0.02639%0.388CS..G310 helixtrans-55.8-41.8-176.3-74.8169.1000112.1L45 I46 V62 D120 S122 S123 L172L43-L45 PolarHBondContact O-N 3.25Å; L43-L45 VanDerWaalsContact O-N 3.14Å; L43-I46 HydrophobicContact CD2-CD1 4.27Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-I46 VanDerWaalsContact O-N 3.17Å; L43-V62 HydrophobicContact CD1-CG1 4.19Å; L43-V62 HydrophobicContact CD2-CB 4.36Å; L43-V62 HydrophobicContact CD2-CG1 3.71Å; L43-V62 HydrophobicContact CD2-CG2 3.98Å; L43-V62 HydrophobicContact CG-CG1 3.57Å; L43-V62 HydrophobicContact CG-CG2 4.49Å; L43-D120 HydrophobicContact CD1-CB 4.09Å; L43-D120 HydrophobicContact CG-CB 4.48Å; L43-D120 PolarHBondContact N-OD2 3.04Å; L43-S122 PolarHBondContact N-OG 3.44Å; L43-S123 WeakPolarHBondContact CB-OG 3.31Å; L43-L172 HydrophobicContact CD2-CD1 4.04Å
44G81.3Confident64.9Low46 Ų4667.8 Ų67.847%0.47441%0.407SS..G310 helixtrans-67.7-10.1-178.600000114.5A42 S122 S123A42-G44 VanDerWaalsContact C-N 3.28Å; A42-G44 PolarHBondContact O-N 3.4Å; G44-S122 PolarHBondContact N-OG 3.02Å; G44-S123 WeakPolarHBondContact CA-OG 3.39Å; G44-S123 PolarHBondContact N-OG 3.47Å; G44-S123 VanDerWaalsContact N-OG 3.12Å
45L78.2Confident65.5Low62 Ų6271.7 Ų71.733%0.32542%0.419SS..G310 helixtrans-100.9-7.8178.7-50.6169.9000113.3P30 A42 L43 D47P30-L45 HydrophobicContact CB-CD1 3.26Å; P30-L45 HydrophobicContact CB-CD2 3.27Å; P30-L45 HydrophobicContact CB-CG 3.74Å; P30-L45 HydrophobicContact CG-CD1 3.63Å; P30-L45 HydrophobicContact CG-CD2 3.12Å; P30-L45 HydrophobicContact CG-CG 3.84Å; A42-L45 HydrophobicContact CB-CD1 3.7Å; A42-L45 HydrophobicContact CB-CG 3.99Å; A42-L45 WeakPolarHBondContact O-CB 3.21Å; A42-L45 PolarHBondContact O-N 3.37Å; A42-L45 VanDerWaalsContact O-N 3.09Å; L43-L45 PolarHBondContact O-N 3.25Å; L43-L45 VanDerWaalsContact O-N 3.14Å; L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.08Å
46I79.5Confident66.6Low10 Ų1077.9 Ų77.95%0.05145%0.448CS..SBendtrans-76.495.7177.6-58.6174.7000105L43 T48 F60 V62 V174 F187L43-I46 HydrophobicContact CD2-CD1 4.27Å; L43-I46 PolarHBondContact O-N 3.36Å; L43-I46 VanDerWaalsContact O-N 3.17Å; I46-T48 PolarHBondContact O-N 3.27Å; I46-F60 HydrophobicContact CD1-CB 3.97Å; I46-F60 HydrophobicContact CD1-CD2 4.39Å; I46-F60 HydrophobicContact CD1-CG 4.13Å; I46-F60 HydrophobicContact CG1-CD1 4.39Å; I46-F60 HydrophobicContact CG1-CD2 4.48Å; I46-F60 HydrophobicContact CG1-CG 4.21Å; I46-F60 HydrophobicContact CG2-CD2 3.8Å; I46-F60 HydrophobicContact CG2-CE2 3.68Å; I46-F60 HydrophobicContact CG2-CG 4.34Å; I46-F60 HydrophobicContact CG2-CZ 4.15Å; I46-V62 HydrophobicContact CD1-CG2 3.76Å; I46-V174 HydrophobicContact CG2-CG2 4.07Å; I46-F187 HydrophobicContact CB-CE1 4.41Å; I46-F187 HydrophobicContact CD1-CE1 4.38Å; I46-F187 HydrophobicContact CG2-CE1 3.94Å; I46-F187 HydrophobicContact CG2-CZ 4.46Å
47D64.3Low68.1Low120 Ų12075.3 Ų75.364%0.64243%0.428SS*.  trans-52125.8179.3-65.1-35.9000109.1L45 E49 C50L45-D47 VanDerWaalsContact C-N 3.28Å; L45-D47 PolarHBondContact O-N 3.08Å; D47-E49 PolarHBondContact O-N 3.49Å; D47-E49 VanDerWaalsContact O-N 3.16Å; D47-C50 PolarHBondContact O-N 3.18Å; D47-C50 PolarHBondContact O-SG 3.19Å
48T60Low69.7Low91 Ų9168.4 Ų68.456%0.55839%0.391SS*.SBendtrans-60.3-21.4171.740.80000111.6I46 C50 Q176 V185I46-T48 PolarHBondContact O-N 3.27Å; T48-C50 PolarHBondContact O-N 3.43Å; T48-C50 VanDerWaalsContact O-N 3.12Å; T48-Q176 PolarHBondContact O-NE2 3.16Å; T48-V185 HydrophobicContact CG2-CG2 4.11Å; T48-V185 WeakPolarHBondContact O-CG2 3.36Å
49E53Low71Confident161 Ų16172.1 Ų72.175%0.75240%0.4SS*.  trans-84.753.7171.5-58.6-175.1-172.800110.8D47 S51D47-E49 PolarHBondContact O-N 3.49Å; D47-E49 VanDerWaalsContact O-N 3.16Å; E49-S51 PolarHBondContact O-N 2.86Å
50C55.4Low71.9Confident12 Ų1267.9 Ų67.98%0.08138%0.381CS..  trans-51.9137.8163.9-54.60000108.2D47 T48 S52 V174D47-C50 PolarHBondContact O-N 3.18Å; D47-C50 PolarHBondContact O-SG 3.19Å; T48-C50 PolarHBondContact O-N 3.43Å; T48-C50 VanDerWaalsContact O-N 3.12Å; C50-S52 PolarHBondContact O-N 3.29Å; C50-V174 WeakPolarHBondContact SG-CG1 3.17Å
51S50.4Low72.4Confident74 Ų7468.3 Ų68.352%0.51738%0.384SS..  trans-54.1110.7-170.4-73.30000110.1E49 S53 N54 D58E49-S51 PolarHBondContact O-N 2.86Å; S51-S53 PolarHBondContact O-N 3.08Å; S51-N54 PolarHBondContact O-N 2.92Å; S51-N54 VanDerWaalsContact O-N 3.17Å; S51-D58 PolarHBondContact N-OD2 2.94Å
52S50.3Low72.8Confident117 Ų11767.8 Ų67.882%0.81838%0.38SS*.THydrogen-bonded Turntrans-58.1-5.8-177.251.10000114C50C50-S52 PolarHBondContact O-N 3.29Å
53S55.1Low73.1Confident92 Ų9268.5 Ų68.564%0.64338%0.381SS*.THydrogen-bonded Turntrans-85.5-17.5179.361.10000115.1S51S51-S53 PolarHBondContact O-N 3.08Å
54N60.9Low73.4Confident88 Ų8868.3 Ų68.347%0.47138%0.381SS..  trans-107.5100.3-173.2-69.7-18000111.4S51 Q56 G57S51-N54 PolarHBondContact O-N 2.92Å; S51-N54 VanDerWaalsContact O-N 3.17Å; N54-Q56 PolarHBondContact O-N 2.97Å; N54-G57 PolarHBondContact O-N 3.49Å
55E67.1Low74Confident177 Ų17768.1 Ų68.183%0.82737%0.37SS*.THydrogen-bonded Turntrans-53.4-23.1170.9-66.8-172.6161.800112.9G57E55-G57 VanDerWaalsContact C-N 3.35Å
56Q76.5Confident74.8Confident141 Ų14165.1 Ų65.166%0.65935%0.354SS*.THydrogen-bonded Turntrans-75.2-18.5-179.9-157.2166.519.800113.6N54 R173N54-Q56 PolarHBondContact O-N 2.97Å; Q56-R173 PolarHBondContact O-NE 3.21Å; Q56-R173 PolarHBondContact O-NH2 2.69Å
57G82.9Confident75.5Confident10 Ų1067.6 Ų67.610%0.10337%0.367CS..  trans69.3162.9-176.500000113.7N54 E55 V174N54-G57 PolarHBondContact O-N 3.49Å; E55-G57 VanDerWaalsContact C-N 3.35Å; G57-V174 CarbonylContact C-O 3.52Å; G57-V174 VanDerWaalsContact CA-O 3.28Å; G57-V174 WeakPolarHBondContact CA-O 3.41Å
58D87.6Confident76.9Confident40 Ų4065.8 Ų65.821%0.21436%0.358CS..EExtended strand (participates in β ladder)trans-97.3145.3-175-67.7-37.8000111.3S51 F60 R173 V174S51-D58 PolarHBondContact N-OD2 2.94Å; D58-F60 HydrophobicContact CB-CD2 4.41Å; D58-F60 HydrophobicContact CB-CE2 3.51Å; D58-F60 HydrophobicContact CB-CZ 3.85Å; D58-R173 CarbonylContact O-C 3.59Å; D58-R173 WeakPolarHBondContact O-CA 3.15Å; D58-V174 PolarHBondContact N-O 2.92Å; D58-V174 PolarHBondContact O-N 3.41Å
59Y89.2Confident78.5Confident97 Ų9761.5 Ų61.538%0.3833%0.332SS..EExtended strand (participates in β ladder)trans-109.9127.1-178.3-65.2-100.2000110.9L172 R173 V190Y59-L172 CarbonylContact C-O 3.48Å; Y59-L172 WeakPolarHBondContact CA-O 3.11Å; Y59-R173 HydrophobicContact CD1-CB 4.06Å; Y59-R173 HydrophobicContact CD1-CG 4.46Å; Y59-R173 HydrophobicContact CE1-CB 3.91Å; Y59-R173 HydrophobicContact CE1-CG 4.05Å; Y59-R173 HydrophobicContact CE2-CG 4.48Å; Y59-V190 HydrophobicContact CD1-CG2 4.25Å; Y59-V190 HydrophobicContact CE1-CG2 3.92Å
60F89Confident80.5Confident49 Ų4956.7 Ų56.722%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-126.6152.8177.9-58.7-81.9000110.4I46 D58 R171 L172 V174I46-F60 HydrophobicContact CD1-CB 3.97Å; I46-F60 HydrophobicContact CD1-CD2 4.39Å; I46-F60 HydrophobicContact CD1-CG 4.13Å; I46-F60 HydrophobicContact CG1-CD1 4.39Å; I46-F60 HydrophobicContact CG1-CD2 4.48Å; I46-F60 HydrophobicContact CG1-CG 4.21Å; I46-F60 HydrophobicContact CG2-CD2 3.8Å; I46-F60 HydrophobicContact CG2-CE2 3.68Å; I46-F60 HydrophobicContact CG2-CG 4.34Å; I46-F60 HydrophobicContact CG2-CZ 4.15Å; D58-F60 HydrophobicContact CB-CD2 4.41Å; D58-F60 HydrophobicContact CB-CE2 3.51Å; D58-F60 HydrophobicContact CB-CZ 3.85Å; F60-R171 CarbonylContact O-C 3.48Å; F60-R171 WeakPolarHBondContact O-CA 3.43Å; F60-L172 PolarHBondContact N-O 2.97Å; F60-L172 PolarHBondContact O-N 3.04Å; F60-V174 HydrophobicContact CD2-CB 4.42Å; F60-V174 HydrophobicContact CD2-CG2 3.74Å; F60-V174 HydrophobicContact CE2-CB 4.32Å; F60-V174 HydrophobicContact CE2-CG2 4.09Å
61T89.9Confident82.2Confident21 Ų2159.4 Ų59.413%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-113134.4171.2-55.40000107.6V40 A41 L169 F170V40-T61 CarbonylContact C-O 3.56Å; V40-T61 WeakPolarHBondContact CA-O 3.33Å; V40-T61 HydrophobicContact CG2-CG2 4.11Å; A41-T61 PolarHBondContact N-O 2.77Å; T61-L169 HydrophobicContact CG2-CD1 4.46Å; T61-L169 HydrophobicContact CG2-CD2 3.25Å; T61-L169 HydrophobicContact CG2-CG 3.92Å; T61-F170 CarbonylContact C-O 3.51Å; T61-F170 WeakPolarHBondContact CA-O 3.09Å
62V90Very high84.1Confident1 Ų163.8 Ų63.81%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-138.1130.8-173.5175.20000108.2L43 I46 F170 L172L43-V62 HydrophobicContact CD1-CG1 4.19Å; L43-V62 HydrophobicContact CD2-CB 4.36Å; L43-V62 HydrophobicContact CD2-CG1 3.71Å; L43-V62 HydrophobicContact CD2-CG2 3.98Å; L43-V62 HydrophobicContact CG-CG1 3.57Å; L43-V62 HydrophobicContact CG-CG2 4.49Å; I46-V62 HydrophobicContact CD1-CG2 3.76Å; V62-F170 PolarHBondContact N-O 3.17Å; V62-F170 PolarHBondContact O-N 2.84Å; V62-L172 HydrophobicContact CB-CD1 4.4Å; V62-L172 HydrophobicContact CG2-CD1 4.03Å
63K90.2Very high86.1Confident24 Ų2461.4 Ų61.410%0.10431%0.312CS..EExtended strand (participates in β ladder)trans-85.1124.1161.1-179.4-175.8172.3-174.90107.4V195 Y200 E236K63-V195 HydrophobicContact CD-CG1 4.27Å; K63-V195 HydrophobicContact CD-CG2 4.31Å; K63-V195 HydrophobicContact CG-CG2 4.07Å; K63-Y200 HydrophobicContact CD-CD1 4.35Å; K63-Y200 HydrophobicContact CD-CD2 3.73Å; K63-Y200 HydrophobicContact CD-CE1 3.9Å; K63-Y200 HydrophobicContact CD-CE2 3.22Å; K63-Y200 HydrophobicContact CD-CG 4.26Å; K63-Y200 HydrophobicContact CG-CE2 4.43Å; K63-E236 IonicContact NZ-OE1 3.74Å; K63-E236 PolarHBondContact NZ-OE1 3.22Å; K63-E236 IonicContact NZ-OE2 2.82Å; K63-E236 PolarHBondContact NZ-OE2 2.88Å
64G91.2Very high87.9Confident2 Ų257 Ų572%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-145.2159.2177.700000112.5C119 N167 F168G64-C119 CarbonylContact C-O 3.51Å; G64-C119 VanDerWaalsContact CA-O 3.26Å; G64-C119 WeakPolarHBondContact CA-O 3.06Å; G64-N167 WeakPolarHBondContact O-CA 3.4Å; G64-F168 PolarHBondContact N-O 3.09Å; G64-F168 PolarHBondContact O-N 2.88Å
65T93.5Very high89.5Confident41 Ų4153.6 Ų53.625%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-98.4134.8173.3-48.10000109.1L67 I118 C119 R166 N167T65-L67 PolarHBondContact O-N 3.41Å; T65-I118 CarbonylContact O-C 3.56Å; T65-I118 WeakPolarHBondContact O-CA 3.26Å; T65-C119 PolarHBondContact N-O 3.34Å; T65-C119 PolarHBondContact O-N 3.13Å; T65-R166 WeakPolarHBondContact CA-O 3.46Å; T65-N167 WeakPolarHBondContact CB-OD1 3.36Å; T65-N167 WeakPolarHBondContact CG2-OD1 3.4Å; T65-N167 PolarHBondContact OG1-OD1 2.79Å
66I95Very high90.8Very high0 Ų047.1 Ų47.10%023%0.231CC..EExtended strand (participates in β ladder)trans-75.6119.9173.5-65174.6000108.9V69 V116 L137 V163 F165 R166 F168 F170I66-V69 HydrophobicContact CG2-CG2 3.88Å; I66-V116 HydrophobicContact CB-CG1 4.37Å; I66-V116 HydrophobicContact CD1-CG1 4.24Å; I66-V116 HydrophobicContact CG1-CG1 3.97Å; I66-V116 HydrophobicContact CG2-CG1 3.67Å; I66-L137 HydrophobicContact CD1-CD1 3.52Å; I66-L137 HydrophobicContact CD1-CD2 3.95Å; I66-L137 HydrophobicContact CD1-CG 4.24Å; I66-V163 HydrophobicContact CD1-CG1 3.65Å; I66-F165 VanDerWaalsContact O-CA 3.29Å; I66-F165 WeakPolarHBondContact O-CA 3.28Å; I66-F165 PolarHBondContact O-N 2.61Å; I66-R166 PolarHBondContact N-O 3.08Å; I66-F168 HydrophobicContact CD1-CD2 3.67Å; I66-F168 HydrophobicContact CD1-CE2 3.71Å; I66-F168 HydrophobicContact CG1-CD2 4.24Å; I66-F170 HydrophobicContact CD1-CZ 4Å; I66-F170 HydrophobicContact CG1-CZ 3.8Å
67L94.1Very high91.7Very high62 Ų6241.9 Ų41.933%0.32521%0.209SC..EExtended strand (participates in β ladder)trans-88-41.2175.6-66.5-174.7000112.3T65 R117 C119 V124 T164 F165T65-L67 PolarHBondContact O-N 3.41Å; L67-R117 HydrophobicContact CB-CB 4.45Å; L67-R117 PolarHBondContact N-O 3.19Å; L67-C119 HydrophobicContact CD1-CB 3.54Å; L67-C119 HydrophobicContact CD2-CB 3.83Å; L67-C119 HydrophobicContact CG-CB 3.52Å; L67-V124 HydrophobicContact CD1-CG1 3.76Å; L67-V124 HydrophobicContact CD1-CG2 3.96Å; L67-T164 VanDerWaalsContact O-CG2 3.25Å; L67-T164 WeakPolarHBondContact O-CG2 3.27Å; L67-F165 HydrophobicContact CD2-CE1 4.2Å
68N93.3Very high92.3Very high82 Ų8241.4 Ų41.444%0.43921%0.205SC..EExtended strand (participates in β ladder)trans-160147.5-176-168.9-1.2000110.3R117N68-R117 PolarHBondContact O-N 3.1Å
69V94.8Very high92.7Very high1 Ų139.5 Ų39.51%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-118.4127.4172.9-176.60000108.6I66 R71 L114 V116 F160I66-V69 HydrophobicContact CG2-CG2 3.88Å; V69-R71 WeakPolarHBondContact O-CG 3.22Å; V69-R71 PolarHBondContact O-N 3.1Å; V69-L114 HydrophobicContact CG1-CD2 4.36Å; V69-V116 HydrophobicContact CG1-CG2 4.18Å; V69-V116 HydrophobicContact CG2-CG1 4.14Å; V69-V116 HydrophobicContact CG2-CG2 4.19Å; V69-F160 HydrophobicContact CB-CD1 3.93Å; V69-F160 HydrophobicContact CG1-CD1 3.58Å; V69-F160 HydrophobicContact CG1-CE1 3.81Å
70N93.3Very high92.9Very high59 Ų5936.5 Ų36.532%0.31619%0.187SC..  trans-71.1113175.3-173.1-14.3000110.4E72 T73 N115N70-E72 PolarHBondContact OD1-N 3.41Å; N70-E72 VanDerWaalsContact OD1-N 3.07Å; N70-T73 PolarHBondContact ND2-OG1 2.9Å; N70-N115 HydrophobicContact CB-CB 4.19Å; N70-N115 WeakPolarHBondContact CB-O 3.39Å; N70-N115 PolarHBondContact N-O 2.96Å
71R91.7Very high93.1Very high70 Ų7038.7 Ų38.726%0.26420%0.196SC..SBendtrans-85.1-27.3-176-49.2-177.8-163.5-176.3-3.5112.8V69 C74 F156 D157 F160 D161V69-R71 WeakPolarHBondContact O-CG 3.22Å; V69-R71 PolarHBondContact O-N 3.1Å; R71-C74 PolarHBondContact O-SG 3.41Å; R71-F156 HydrophobicContact CB-CE1 4.33Å; R71-D157 WeakPolarHBondContact CD-OD1 3.49Å; R71-D157 IonicContact CZ-OD1 2.91Å; R71-D157 IonicContact NE-OD1 3.17Å; R71-D157 VanDerWaalsContact NH1-CB 3.34Å; R71-D157 IonicContact NH1-OD1 2.61Å; R71-D157 PolarHBondContact NH1-OD1 3.02Å; R71-D157 IonicContact NH1-OD2 3.33Å; R71-F160 HydrophobicContact CG-CB 4.47Å; R71-F160 HydrophobicContact CG-CD2 4.18Å; R71-F160 HydrophobicContact CG-CG 4.15Å; R71-D161 IonicContact CZ-OD1 3.93Å; R71-D161 IonicContact NH1-OD2 3.86Å; R71-D161 IonicContact NH2-OD1 2.69Å; R71-D161 PolarHBondContact NH2-OD1 3.01Å; R71-D161 IonicContact NH2-OD2 2.7Å
72E90.5Very high93Very high166 Ų16642.3 Ų42.378%0.77622%0.22SC*.THydrogen-bonded Turntrans-70.7-43.3-174.6-62179.5179.200112N70N70-E72 PolarHBondContact OD1-N 3.41Å; N70-E72 VanDerWaalsContact OD1-N 3.07Å
73T91.6Very high92.9Very high66 Ų6648.4 Ų48.441%0.40525%0.253SS..THydrogen-bonded Turntrans-101.818.9-175.469.80000113.2N70 M75 L113N70-T73 PolarHBondContact ND2-OG1 2.9Å; T73-M75 VanDerWaalsContact C-N 3.29Å; T73-M75 PolarHBondContact O-N 3.01Å; T73-L113 VanDerWaalsContact O-O 3.05Å
74C94.2Very high93.1Very high0 Ų047.4 Ų47.40%025%0.248CC..SBendtrans-68.5-23.8-17164.60000114.3R71 L112 L113 L114 F160R71-C74 PolarHBondContact O-SG 3.41Å; C74-L112 WeakPolarHBondContact O-CA 2.99Å; C74-L113 CarbonylContact O-C 3.54Å; C74-L113 PolarHBondContact O-N 2.82Å; C74-L114 HydrophobicContact CB-CD2 3.46Å; C74-L114 VanDerWaalsContact CB-CD2 3.46Å; C74-F160 HydrophobicContact CB-CZ 4.38Å
75M94Very high93.1Very high16 Ų1650.3 Ų50.38%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-137.1147.7-173.8-72.2-176.8-74.100111.3T73 W110 R111 L112 V142 L145 R149 F156T73-M75 VanDerWaalsContact C-N 3.29Å; T73-M75 PolarHBondContact O-N 3.01Å; M75-W110 HydrophobicContact CB-CE3 4Å; M75-W110 HydrophobicContact CB-CZ3 4.34Å; M75-R111 WeakPolarHBondContact CA-O 3.25Å; M75-L112 HydrophobicContact CG-CD2 3.4Å; M75-L112 VanDerWaalsContact CG-CD2 3.4Å; M75-L112 HydrophobicContact CG-CG 4.48Å; M75-L112 HydrophobicContact SD-CD2 4.09Å; M75-V142 HydrophobicContact SD-CG1 4.37Å; M75-L145 HydrophobicContact CE-CD2 4.26Å; M75-L145 HydrophobicContact CE-CG 4.38Å; M75-L145 HydrophobicContact SD-CD2 3.99Å; M75-L145 HydrophobicContact SD-CG 4.36Å; M75-R149 HydrophobicContact CE-CB 4.33Å; M75-R149 VanDerWaalsContact CE-CD 3.44Å; M75-R149 HydrophobicContact CE-CG 4.49Å; M75-F156 HydrophobicContact CE-CE2 3.79Å; M75-F156 HydrophobicContact CE-CZ 4.21Å
76Y94.7Very high93.1Very high42 Ų4252.3 Ų52.317%0.16527%0.274CS..EExtended strand (participates in β ladder)trans-140150174.668.8-84.3000111.9A78 S85 K87 R111 L113Y76-A78 HydrophobicContact CD2-CB 4.25Å; Y76-A78 HydrophobicContact CE2-CB 3.76Å; Y76-A78 PolarHBondContact O-N 3.04Å; Y76-S85 WeakPolarHBondContact CE2-O 3.33Å; Y76-S85 PolarHBondContact OH-O 3.49Å; Y76-K87 HydrophobicContact CD2-CB 3.9Å; Y76-K87 HydrophobicContact CD2-CG 4.14Å; Y76-K87 HydrophobicContact CE2-CB 4.26Å; Y76-R111 WeakPolarHBondContact CD1-O 3.21Å; Y76-R111 HydrophobicContact CE1-CB 3.92Å; Y76-R111 HydrophobicContact CE2-CB 4.39Å; Y76-R111 PolarHBondContact N-O 2.82Å; Y76-R111 PolarHBondContact O-N 3.41Å; Y76-R111 VanDerWaalsContact O-N 3.09Å; Y76-L113 HydrophobicContact CD1-CB 3.89Å; Y76-L113 HydrophobicContact CE1-CB 3.92Å
77P94.4Very high93.1Very high31 Ų3158.6 Ų58.620%0.20130%0.301CS..EExtended strand (participates in β ladder)trans-73.5122.3174.830.6-34.4000109.6K87 V88 F108P77-K87 WeakPolarHBondContact O-CA 3.12Å; P77-V88 HydrophobicContact CB-CG2 3.8Å; P77-V88 HydrophobicContact CG-CG2 4.28Å; P77-V88 WeakPolarHBondContact O-CG2 3.42Å; P77-V88 PolarHBondContact O-N 2.81Å; P77-F108 HydrophobicContact CB-CB 4.31Å; P77-F108 HydrophobicContact CB-CD2 3.51Å; P77-F108 HydrophobicContact CB-CE2 3.93Å; P77-F108 HydrophobicContact CB-CG 3.9Å
78A95.9Very high93.2Very high0 Ų056 Ų560%029%0.287CS..EExtended strand (participates in β ladder)trans-115.7165.4-178.500000112.1Y76 T109 R111Y76-A78 HydrophobicContact CD2-CB 4.25Å; Y76-A78 HydrophobicContact CE2-CB 3.76Å; Y76-A78 PolarHBondContact O-N 3.04Å; A78-T109 WeakPolarHBondContact CA-O 3.48Å; A78-T109 WeakPolarHBondContact CB-O 3.36Å; A78-T109 PolarHBondContact N-O 2.88Å; A78-T109 PolarHBondContact O-N 3.14Å; A78-T109 VanDerWaalsContact O-N 3.08Å; A78-R111 HydrophobicContact CB-CB 4.17Å; A78-R111 HydrophobicContact CB-CG 3.66Å
79C95.5Very high93.3Very high0 Ų056.1 Ų56.10%029%0.287CS..  trans-58.4134.6175.5-172.40000110.5F81 C84 K86 V88 C98C79-F81 PolarHBondContact O-N 3.32Å; C79-C84 HydrophobicContact CB-CB 3.79Å; C79-C84 VanDerWaalsContact CB-SG 3.58Å; C79-K86 PolarHBondContact N-O 3.11Å; C79-K86 VanDerWaalsContact N-O 3.12Å; C79-V88 HydrophobicContact CB-CG1 4.26Å; C79-C98 HydrophobicContact CB-CB 4.15Å; C79-C98 VanDerWaalsContact SG-SG 3.64Å
80P94.1Very high93.3Very high34 Ų3459.7 Ų59.722%0.22131%0.307CS..SBendtrans-71.8-10.3179.629.4-35.9000113.5Y105P80-Y105 HydrophobicContact CG-CD1 3.65Å; P80-Y105 HydrophobicContact CG-CD2 3.83Å; P80-Y105 HydrophobicContact CG-CE1 4.11Å; P80-Y105 HydrophobicContact CG-CE2 4.26Å; P80-Y105 HydrophobicContact CG-CG 3.49Å; P80-Y105 VanDerWaalsContact CG-CG 3.49Å
81F92.3Very high93.2Very high95 Ų9559.9 Ų59.942%0.41731%0.305SS..SBendtrans-72.8131.5176.7-163.4-98.8000110.7C79 D83 C84C79-F81 PolarHBondContact O-N 3.32Å; F81-D83 VanDerWaalsContact C-N 3.32Å; F81-D83 HydrophobicContact CD1-CB 4.16Å; F81-D83 HydrophobicContact CE1-CB 4.05Å; F81-D83 PolarHBondContact O-N 2.87Å; F81-C84 HydrophobicContact CB-CB 4.23Å; F81-C84 PolarHBondContact O-N 2.83Å
82P87.8Confident93.2Very high96 Ų9663.8 Ų63.862%0.62333%0.331SS*.THydrogen-bonded Turntrans-56.1-42.1-170.318.8-31.6000113.3C84 R111P82-C84 VanDerWaalsContact C-N 3.27Å; P82-C84 PolarHBondContact O-N 2.94Å; P82-R111 PolarHBondContact O-NH2 3.18Å
83D89.5Confident93.2Very high130 Ų13060.4 Ų60.470%0.69532%0.323SS*.THydrogen-bonded Turntrans-83.77.6-176.8-55.2-38.4000114.6F81F81-D83 VanDerWaalsContact C-N 3.32Å; F81-D83 HydrophobicContact CD1-CB 4.16Å; F81-D83 HydrophobicContact CE1-CB 4.05Å; F81-D83 PolarHBondContact O-N 2.87Å
84C93Very high93.2Very high2 Ų259.6 Ų59.61%0.01433%0.327CS..  trans-122.9107.6-176.7-169.50000112.3C79 F81 P82 R111C79-C84 HydrophobicContact CB-CB 3.79Å; C79-C84 VanDerWaalsContact CB-SG 3.58Å; F81-C84 HydrophobicContact CB-CB 4.23Å; F81-C84 PolarHBondContact O-N 2.83Å; P82-C84 VanDerWaalsContact C-N 3.27Å; P82-C84 PolarHBondContact O-N 2.94Å; C84-R111 PolarHBondContact O-NH2 3.32Å
85S91.9Very high93.2Very high63 Ų6362.4 Ų62.444%0.44134%0.342SS..  trans-94.16.4176.2570000114.5Y76 R111Y76-S85 WeakPolarHBondContact CE2-O 3.33Å; Y76-S85 PolarHBondContact OH-O 3.49Å; S85-R111 VanDerWaalsContact CB-NH1 3.25Å
86K94.1Very high93.2Very high83 Ų8364 Ų6436%0.36135%0.347SS..PPolyproline II helixtrans-69.9136.2-176.6-164.9171-173.8-174.80109.9C79 V88 E99 K100C79-K86 PolarHBondContact N-O 3.11Å; C79-K86 VanDerWaalsContact N-O 3.12Å; K86-V88 PolarHBondContact O-N 3.3Å; K86-E99 HydrophobicContact CD-CB 4.18Å; K86-E99 WeakPolarHBondContact CE-OE2 3.26Å; K86-E99 VanDerWaalsContact NZ-CB 3.27Å; K86-E99 IonicContact NZ-OE2 2.68Å; K86-E99 PolarHBondContact NZ-OE2 3.38Å; K86-K100 HydrophobicContact CB-CB 4.1Å; K86-K100 HydrophobicContact CD-CB 3.7Å; K86-K100 HydrophobicContact CG-CB 4.5Å
87K95.3Very high93.2Very high133 Ų13367.2 Ų67.258%0.57836%0.359SS*.BIsolated β-bridgetrans-57132.7172.4-177.1176.6178.3179.50109.7Y76 P77Y76-K87 HydrophobicContact CD2-CB 3.9Å; Y76-K87 HydrophobicContact CD2-CG 4.14Å; Y76-K87 HydrophobicContact CE2-CB 4.26Å; P77-K87 WeakPolarHBondContact O-CA 3.12Å
88V95.8Very high93.3Very high6 Ų665.8 Ų65.84%0.03635%0.35CS..PPolyproline II helixtrans-84.7151.5175.1-68.60000110.8P77 C79 K86 Y96 C98 F108P77-V88 HydrophobicContact CB-CG2 3.8Å; P77-V88 HydrophobicContact CG-CG2 4.28Å; P77-V88 WeakPolarHBondContact O-CG2 3.42Å; P77-V88 PolarHBondContact O-N 2.81Å; C79-V88 HydrophobicContact CB-CG1 4.26Å; K86-V88 PolarHBondContact O-N 3.3Å; V88-Y96 HydrophobicContact CG2-CD1 3.93Å; V88-Y96 HydrophobicContact CG2-CG 4.25Å; V88-C98 HydrophobicContact CG1-CB 4.2Å; V88-F108 HydrophobicContact CG2-CB 3.98Å
89I95Very high93.2Very high85 Ų8570.4 Ų70.444%0.43637%0.371SS..EExtended strand (participates in β ladder)trans-102.6125.9174.4-57.3172.9000107.2R97 E99I89-R97 PolarHBondContact N-O 3.07Å; I89-R97 PolarHBondContact O-N 3.24Å; I89-E99 HydrophobicContact CD1-CG 3.82Å; I89-E99 VanDerWaalsContact CD1-OE1 3.28Å; I89-E99 WeakPolarHBondContact CD1-OE1 3.46Å
90D94.3Very high93.1Very high77 Ų7776.8 Ų76.841%0.41240%0.399SS..EExtended strand (participates in β ladder)trans-72.6126.4171-169.8-12.5000109N92 Y96D90-N92 VanDerWaalsContact C-N 3.33Å; D90-N92 PolarHBondContact OD1-N 2.88Å; D90-Y96 HydrophobicContact CB-CD1 4.16Å; D90-Y96 HydrophobicContact CB-CE1 3.93Å
91Q92.1Very high93Very high62 Ų6277 Ų7729%0.2940%0.401SS..  trans-88.51.4177.5-67.1-167.3-7.200113.5T93 L95 R97 E104Q91-T93 HydrophobicContact CB-CG2 4.43Å; Q91-T93 WeakPolarHBondContact CB-OG1 3.45Å; Q91-T93 PolarHBondContact O-N 3.31Å; Q91-L95 PolarHBondContact N-O 2.05Å; Q91-L95 VanDerWaalsContact N-O 3.14Å; Q91-R97 HydrophobicContact CG-CB 4.11Å; Q91-E104 PolarHBondContact NE2-OE1 3.11Å
92N90.6Very high93.1Very high152 Ų15278.2 Ų78.281%0.81341%0.412SS*.SBendtrans61.89.5-173.2-5868.1000113.9D90D90-N92 VanDerWaalsContact C-N 3.33Å; D90-N92 PolarHBondContact OD1-N 2.88Å
93T92.2Very high93.3Very high96 Ų9679.4 Ų79.459%0.58941%0.407SS*.SBendtrans-97.5-1.2175.254.50000112.4Q91 L95Q91-T93 HydrophobicContact CB-CG2 4.43Å; Q91-T93 WeakPolarHBondContact CB-OG1 3.45Å; Q91-T93 PolarHBondContact O-N 3.31Å; T93-L95 VanDerWaalsContact C-N 3.3Å; T93-L95 PolarHBondContact OG1-N 3.36Å
94G90.2Very high93.5Very high49 Ų4977.8 Ų77.851%0.50540%0.396SS..SBendtrans83.44.6-166.500000113.6
95L94.1Very high93.5Very high59 Ų5979.6 Ų79.631%0.30940%0.403SS..  trans-111.3142.6175-60.1176.9000111.2Q91 T93 P106Q91-L95 PolarHBondContact N-O 2.05Å; Q91-L95 VanDerWaalsContact N-O 3.14Å; T93-L95 VanDerWaalsContact C-N 3.3Å; T93-L95 PolarHBondContact OG1-N 3.36Å; L95-P106 HydrophobicContact CD2-CB 4.17Å
96Y95Very high93.7Very high48 Ų4881.3 Ų81.319%0.18841%0.412CS..EExtended strand (participates in β ladder)trans-106.2122178.1-64.4-80.8000110.4V88 D90 E104 Y105 F108V88-Y96 HydrophobicContact CG2-CD1 3.93Å; V88-Y96 HydrophobicContact CG2-CG 4.25Å; D90-Y96 HydrophobicContact CB-CD1 4.16Å; D90-Y96 HydrophobicContact CB-CE1 3.93Å; Y96-E104 CarbonylContact O-C 3.56Å; Y96-E104 WeakPolarHBondContact O-CA 3.37Å; Y96-Y105 PolarHBondContact N-O 3.35Å; Y96-Y105 PolarHBondContact O-N 3.48Å; Y96-F108 HydrophobicContact CD1-CD1 4.21Å; Y96-F108 AromaticContact CD2-CD1 3.82Å; Y96-F108 HydrophobicContact CD2-CD1 3.82Å; Y96-F108 AromaticContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CE1 4.16Å; Y96-F108 AromaticContact CE2-CD1 3.42Å; Y96-F108 HydrophobicContact CE2-CD1 3.42Å; Y96-F108 VanDerWaalsContact CE2-CD1 3.42Å; Y96-F108 AromaticContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CG-CB 4.44Å; Y96-F108 HydrophobicContact CG-CD1 4.19Å; Y96-F108 AromaticContact CZ-CD1 3.43Å; Y96-F108 VanDerWaalsContact CZ-CD1 3.43Å; Y96-F108 AromaticContact CZ-CE1 3.56Å; Y96-F108 WeakPolarHBondContact OH-CE1 3.45Å
97R95.2Very high93.6Very high111 Ų11181.7 Ų81.742%0.41942%0.418SS..EExtended strand (participates in β ladder)trans-96.4127.7178.9-176.8167.8170.2176.90111.5I89 Q91 E104I89-R97 PolarHBondContact N-O 3.07Å; I89-R97 PolarHBondContact O-N 3.24Å; Q91-R97 HydrophobicContact CG-CB 4.11Å; R97-E104 HydrophobicContact CB-CG 4.09Å; R97-E104 HydrophobicContact CG-CG 4.21Å
98C96.1Very high93.5Very high0 Ų078.3 Ų78.30%040%0.403CS..EExtended strand (participates in β ladder)trans-97.1116.9169.3179.80000110.3C79 V88 K100 C101 N102 K103 Y105C79-C98 HydrophobicContact CB-CB 4.15Å; C79-C98 VanDerWaalsContact SG-SG 3.64Å; V88-C98 HydrophobicContact CG1-CB 4.2Å; C98-K100 VanDerWaalsContact C-N 3.34Å; C98-K100 PolarHBondContact O-N 3.06Å; C98-C101 HydrophobicContact CB-CB 4.26Å; C98-N102 VanDerWaalsContact O-CA 3.3Å; C98-N102 WeakPolarHBondContact O-CA 3.26Å; C98-N102 PolarHBondContact O-N 2.95Å; C98-K103 PolarHBondContact N-O 3.2Å; C98-K103 PolarHBondContact O-N 2.81Å; C98-Y105 HydrophobicContact CB-CE2 4.3Å
99E93.4Very high93.4Very high97 Ų9780.4 Ų80.445%0.45342%0.417SS..THydrogen-bonded Turntrans-69.7-26.4178.1-68.9-172.4159.700114.1K86 I89 N102K86-E99 HydrophobicContact CD-CB 4.18Å; K86-E99 WeakPolarHBondContact CE-OE2 3.26Å; K86-E99 VanDerWaalsContact NZ-CB 3.27Å; K86-E99 IonicContact NZ-OE2 2.68Å; K86-E99 PolarHBondContact NZ-OE2 3.38Å; I89-E99 HydrophobicContact CD1-CG 3.82Å; I89-E99 VanDerWaalsContact CD1-OE1 3.28Å; I89-E99 WeakPolarHBondContact CD1-OE1 3.46Å; E99-N102 PolarHBondContact O-OD1 3.36Å
100K93.5Very high93.4Very high134 Ų13479.5 Ų79.558%0.58341%0.408SS*.THydrogen-bonded Turntrans-73.7-40.9178.5-175.9179.4175.7-166.20111K86 C98K86-K100 HydrophobicContact CB-CB 4.1Å; K86-K100 HydrophobicContact CD-CB 3.7Å; K86-K100 HydrophobicContact CG-CB 4.5Å; C98-K100 VanDerWaalsContact C-N 3.34Å; C98-K100 PolarHBondContact O-N 3.06Å
101C92.6Very high93.4Very high40 Ų4077.8 Ų77.827%0.2740%0.395SS..THydrogen-bonded Turntrans-90-13.5-178.7-60.90000112.8C98 K103C98-C101 HydrophobicContact CB-CB 4.26Å; C101-K103 HydrophobicContact CB-CB 4.31Å; C101-K103 HydrophobicContact CB-CG 4.5Å; C101-K103 PolarHBondContact O-N 3.08Å
102N92.9Very high93.6Very high119 Ų11974.9 Ų74.964%0.63638%0.382SS*.THydrogen-bonded Turntrans47.742.2-169.1-75.3-33.2000112.7C98 E99C98-N102 VanDerWaalsContact O-CA 3.3Å; C98-N102 WeakPolarHBondContact O-CA 3.26Å; C98-N102 PolarHBondContact O-N 2.95Å; E99-N102 PolarHBondContact O-OD1 3.36Å
103K92.5Very high93.8Very high121 Ų12169.8 Ų69.853%0.52635%0.354SS..EExtended strand (participates in β ladder)trans-128.3150.7180-72.8178.4-176.7-175.70110.2C98 C101 Y105C98-K103 PolarHBondContact N-O 3.2Å; C98-K103 PolarHBondContact O-N 2.81Å; C101-K103 HydrophobicContact CB-CB 4.31Å; C101-K103 HydrophobicContact CB-CG 4.5Å; C101-K103 PolarHBondContact O-N 3.08Å; K103-Y105 HydrophobicContact CB-CE2 3.8Å
104E93.9Very high94Very high97 Ų9765.2 Ų65.245%0.45333%0.326SS..EExtended strand (participates in β ladder)trans-107138.9175.9-67.5172.1-173.900109.1Q91 Y96 R97Q91-E104 PolarHBondContact NE2-OE1 3.11Å; Y96-E104 CarbonylContact O-C 3.56Å; Y96-E104 WeakPolarHBondContact O-CA 3.37Å; R97-E104 HydrophobicContact CB-CG 4.09Å; R97-E104 HydrophobicContact CG-CG 4.21Å
105Y94.1Very high94.2Very high40 Ų4064.2 Ų64.216%0.15731%0.31CS..EExtended strand (participates in β ladder)trans-130.1142.1-178.3-60.9-81.2000109.6P80 Y96 C98 K103 N107P80-Y105 HydrophobicContact CG-CD1 3.65Å; P80-Y105 HydrophobicContact CG-CD2 3.83Å; P80-Y105 HydrophobicContact CG-CE1 4.11Å; P80-Y105 HydrophobicContact CG-CE2 4.26Å; P80-Y105 HydrophobicContact CG-CG 3.49Å; P80-Y105 VanDerWaalsContact CG-CG 3.49Å; Y96-Y105 PolarHBondContact N-O 3.35Å; Y96-Y105 PolarHBondContact O-N 3.48Å; C98-Y105 HydrophobicContact CB-CE2 4.3Å; K103-Y105 HydrophobicContact CB-CE2 3.8Å; Y105-N107 WeakPolarHBondContact CB-O 3.49Å; Y105-N107 PolarHBondContact O-N 3.41Å
106P94.3Very high94.3Very high99 Ų9961.4 Ų61.464%0.64330%0.295SS*.SBendtrans-73.6-13.3173.131.6-35.3000112.7L95L95-P106 HydrophobicContact CD2-CB 4.17Å
107N92.7Very high94.4Very high91 Ų9165.7 Ų65.749%0.48731%0.311SS..  trans-129.7166.5-178.564.3-15.7000111.8Y105Y105-N107 WeakPolarHBondContact CB-O 3.49Å; Y105-N107 PolarHBondContact O-N 3.41Å
108F93.4Very high94.4Very high61 Ų6160.5 Ų60.527%0.26829%0.291SS..  trans-137.2166.9173.263.4-90.9000110P77 V88 Y96 W110P77-F108 HydrophobicContact CB-CB 4.31Å; P77-F108 HydrophobicContact CB-CD2 3.51Å; P77-F108 HydrophobicContact CB-CE2 3.93Å; P77-F108 HydrophobicContact CB-CG 3.9Å; V88-F108 HydrophobicContact CG2-CB 3.98Å; Y96-F108 HydrophobicContact CD1-CD1 4.21Å; Y96-F108 AromaticContact CD2-CD1 3.82Å; Y96-F108 HydrophobicContact CD2-CD1 3.82Å; Y96-F108 AromaticContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CD1 3.85Å; Y96-F108 HydrophobicContact CE1-CE1 4.16Å; Y96-F108 AromaticContact CE2-CD1 3.42Å; Y96-F108 HydrophobicContact CE2-CD1 3.42Å; Y96-F108 VanDerWaalsContact CE2-CD1 3.42Å; Y96-F108 AromaticContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CE2-CE1 3.86Å; Y96-F108 HydrophobicContact CG-CB 4.44Å; Y96-F108 HydrophobicContact CG-CD1 4.19Å; Y96-F108 AromaticContact CZ-CD1 3.43Å; Y96-F108 VanDerWaalsContact CZ-CD1 3.43Å; Y96-F108 AromaticContact CZ-CE1 3.56Å; Y96-F108 WeakPolarHBondContact OH-CE1 3.45Å; F108-W110 AromaticContact CE2-CD2 3.92Å; F108-W110 HydrophobicContact CE2-CD2 3.92Å; F108-W110 AromaticContact CE2-CE2 3.53Å; F108-W110 HydrophobicContact CE2-CE3 4.44Å; F108-W110 HydrophobicContact CE2-CG 4.38Å; F108-W110 HydrophobicContact CE2-CH2 4.25Å; F108-W110 AromaticContact CE2-CZ2 3.71Å; F108-W110 HydrophobicContact CE2-CZ2 3.71Å; F108-W110 AromaticContact CE2-NE1 3.76Å; F108-W110 HydrophobicContact CZ-CZ2 4.01Å
109T93.9Very high94.2Very high51 Ų5162 Ų6231%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-117.8133.3175.3-56.50000109.2A78A78-T109 WeakPolarHBondContact CA-O 3.48Å; A78-T109 WeakPolarHBondContact CB-O 3.36Å; A78-T109 PolarHBondContact N-O 2.88Å; A78-T109 PolarHBondContact O-N 3.14Å; A78-T109 VanDerWaalsContact O-N 3.08Å
110W94.8Very high94Very high65 Ų6558.2 Ų58.225%0.24628%0.284CS..EExtended strand (participates in β ladder)trans-68.9136.6173.5-71.9114.5000110.4M75 F108 V142 S146M75-W110 HydrophobicContact CB-CE3 4Å; M75-W110 HydrophobicContact CB-CZ3 4.34Å; F108-W110 AromaticContact CE2-CD2 3.92Å; F108-W110 HydrophobicContact CE2-CD2 3.92Å; F108-W110 AromaticContact CE2-CE2 3.53Å; F108-W110 HydrophobicContact CE2-CE3 4.44Å; F108-W110 HydrophobicContact CE2-CG 4.38Å; F108-W110 HydrophobicContact CE2-CH2 4.25Å; F108-W110 AromaticContact CE2-CZ2 3.71Å; F108-W110 HydrophobicContact CE2-CZ2 3.71Å; F108-W110 AromaticContact CE2-NE1 3.76Å; F108-W110 HydrophobicContact CZ-CZ2 4.01Å; W110-V142 HydrophobicContact CB-CG1 3.7Å; W110-V142 WeakPolarHBondContact O-CG1 3.26Å; W110-S146 VanDerWaalsContact CD1-CB 3.44Å
111R95Very high93.5Very high41 Ų4156.9 Ų56.916%0.15528%0.279CS..EExtended strand (participates in β ladder)trans-130.9145.6169.7-66.3-169.7-171.5-148.42.7110.4M75 Y76 A78 P82 C84 S85M75-R111 WeakPolarHBondContact CA-O 3.25Å; Y76-R111 WeakPolarHBondContact CD1-O 3.21Å; Y76-R111 HydrophobicContact CE1-CB 3.92Å; Y76-R111 HydrophobicContact CE2-CB 4.39Å; Y76-R111 PolarHBondContact N-O 2.82Å; Y76-R111 PolarHBondContact O-N 3.41Å; Y76-R111 VanDerWaalsContact O-N 3.09Å; A78-R111 HydrophobicContact CB-CB 4.17Å; A78-R111 HydrophobicContact CB-CG 3.66Å; P82-R111 PolarHBondContact O-NH2 3.18Å; C84-R111 PolarHBondContact O-NH2 3.32Å; S85-R111 VanDerWaalsContact CB-NH1 3.25Å
112L95.3Very high93.2Very high2 Ų257.4 Ų57.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-83.2140.3179.4-66.6168.1000111.9C74 M75 A134 E135 V142 L145C74-L112 WeakPolarHBondContact O-CA 2.99Å; M75-L112 HydrophobicContact CG-CD2 3.4Å; M75-L112 VanDerWaalsContact CG-CD2 3.4Å; M75-L112 HydrophobicContact CG-CG 4.48Å; M75-L112 HydrophobicContact SD-CD2 4.09Å; L112-A134 HydrophobicContact CB-CB 3.82Å; L112-A134 HydrophobicContact CD1-CB 3.78Å; L112-A134 HydrophobicContact CG-CB 4.4Å; L112-E135 HydrophobicContact CD1-CG 3.81Å; L112-V142 HydrophobicContact CB-CG2 4.45Å; L112-V142 HydrophobicContact CD1-CB 4.49Å; L112-V142 HydrophobicContact CD1-CG2 3.63Å; L112-V142 HydrophobicContact CD2-CG1 4.39Å; L112-V142 HydrophobicContact CG-CB 4.31Å; L112-V142 HydrophobicContact CG-CG1 4.01Å; L112-V142 HydrophobicContact CG-CG2 3.6Å; L112-L145 HydrophobicContact CD2-CD2 3.51Å
113L95.7Very high92.9Very high44 Ų4453.4 Ų53.423%0.2326%0.264CS..EExtended strand (participates in β ladder)trans-142.488.6168-175.568000108T73 C74 Y76 T128 F130T73-L113 VanDerWaalsContact O-O 3.05Å; C74-L113 CarbonylContact O-C 3.54Å; C74-L113 PolarHBondContact O-N 2.82Å; Y76-L113 HydrophobicContact CD1-CB 3.89Å; Y76-L113 HydrophobicContact CE1-CB 3.92Å; L113-T128 HydrophobicContact CD1-CG2 3.49Å; L113-T128 VanDerWaalsContact CD1-CG2 3.49Å; L113-T128 HydrophobicContact CG-CG2 4.31Å; L113-F130 HydrophobicContact CD1-CD1 3.93Å; L113-F130 HydrophobicContact CD1-CE1 3.82Å
114L95.6Very high92.9Very high0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-86.9135-178.8-58.6-178.8000110.5V69 C74 V116 T128 M129 A134 L138 F160V69-L114 HydrophobicContact CG1-CD2 4.36Å; C74-L114 HydrophobicContact CB-CD2 3.46Å; C74-L114 VanDerWaalsContact CB-CD2 3.46Å; L114-V116 HydrophobicContact CB-CG2 4.06Å; L114-T128 CarbonylContact O-C 3.57Å; L114-T128 WeakPolarHBondContact O-CA 3.29Å; L114-M129 HydrophobicContact CB-CB 4.08Å; L114-M129 HydrophobicContact CB-CG 4.16Å; L114-M129 PolarHBondContact N-O 3.45Å; L114-M129 PolarHBondContact O-N 3.38Å; L114-A134 HydrophobicContact CD1-CB 3.5Å; L114-A134 VanDerWaalsContact CD1-CB 3.5Å; L114-A134 HydrophobicContact CG-CB 3.72Å; L114-L138 HydrophobicContact CD1-CD1 3.98Å; L114-L138 HydrophobicContact CD1-CG 4.19Å; L114-F160 HydrophobicContact CD2-CE1 4.07Å
115N95.5Very high92.8Very high29 Ų2947.5 Ų47.516%0.15524%0.244CC..EExtended strand (participates in β ladder)trans-107.7111166.3-72.6-45.5000108.1N70 T128N70-N115 HydrophobicContact CB-CB 4.19Å; N70-N115 WeakPolarHBondContact CB-O 3.39Å; N70-N115 PolarHBondContact N-O 2.96Å; N115-T128 PolarHBondContact OD1-OG1 2.83Å
116V96.1Very high92.8Very high0 Ų050.6 Ų50.60%026%0.261CS..EExtended strand (participates in β ladder)trans-113.3133.3-172.6-176.10000109.2I66 V69 L114 I118 Q126 V127 M129 L137I66-V116 HydrophobicContact CB-CG1 4.37Å; I66-V116 HydrophobicContact CD1-CG1 4.24Å; I66-V116 HydrophobicContact CG1-CG1 3.97Å; I66-V116 HydrophobicContact CG2-CG1 3.67Å; V69-V116 HydrophobicContact CG1-CG2 4.18Å; V69-V116 HydrophobicContact CG2-CG1 4.14Å; V69-V116 HydrophobicContact CG2-CG2 4.19Å; L114-V116 HydrophobicContact CB-CG2 4.06Å; V116-I118 HydrophobicContact CB-CG1 4.49Å; V116-I118 HydrophobicContact CG1-CG1 3.9Å; V116-Q126 CarbonylContact O-C 3.6Å; V116-Q126 WeakPolarHBondContact O-CA 3.44Å; V116-V127 PolarHBondContact N-O 2.74Å; V116-V127 PolarHBondContact O-N 2.98Å; V116-M129 HydrophobicContact CG2-CG 3.76Å; V116-L137 HydrophobicContact CG2-CD2 4.23Å
117R95.7Very high92.9Very high138 Ų13845.9 Ų45.952%0.52123%0.23SC..EExtended strand (participates in β ladder)trans-91.3121.9169.5-61.4-17091.5177.56.1108.7L67 N68L67-R117 HydrophobicContact CB-CB 4.45Å; L67-R117 PolarHBondContact N-O 3.19Å; N68-R117 PolarHBondContact O-N 3.1Å
118I94.7Very high93Very high2 Ų241.9 Ų41.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-117.8140.3-178.1-50.3174.5000107.8T65 V116 V124 T125 V127 F170T65-I118 CarbonylContact O-C 3.56Å; T65-I118 WeakPolarHBondContact O-CA 3.26Å; V116-I118 HydrophobicContact CB-CG1 4.49Å; V116-I118 HydrophobicContact CG1-CG1 3.9Å; I118-V124 WeakPolarHBondContact O-CA 3.34Å; I118-T125 PolarHBondContact N-O 3.12Å; I118-T125 PolarHBondContact O-N 2.91Å; I118-V127 HydrophobicContact CD1-CB 3.81Å; I118-V127 HydrophobicContact CD1-CG1 4.32Å; I118-V127 HydrophobicContact CD1-CG2 3.62Å; I118-V127 HydrophobicContact CG1-CB 4.49Å; I118-V127 HydrophobicContact CG1-CG2 4.26Å; I118-F170 HydrophobicContact CD1-CD1 3.77Å; I118-F170 HydrophobicContact CD1-CD2 3.86Å; I118-F170 HydrophobicContact CD1-CE1 3.65Å; I118-F170 HydrophobicContact CD1-CE2 3.74Å; I118-F170 HydrophobicContact CD1-CG 3.86Å; I118-F170 HydrophobicContact CD1-CZ 3.62Å; I118-F170 HydrophobicContact CG1-CE2 4.29Å; I118-F170 HydrophobicContact CG1-CZ 4.19Å; I118-F170 HydrophobicContact CG2-CD2 4.01Å; I118-F170 HydrophobicContact CG2-CE2 3.65Å; I118-F170 HydrophobicContact CG2-CZ 4.34Å
119C93Very high93.1Very high31 Ų3139 Ų3921%0.20920%0.196CC..EExtended strand (participates in β ladder)trans-123.7144.7-179.8-179.20000110.3G64 T65 L67 V124G64-C119 CarbonylContact C-O 3.51Å; G64-C119 VanDerWaalsContact CA-O 3.26Å; G64-C119 WeakPolarHBondContact CA-O 3.06Å; T65-C119 PolarHBondContact N-O 3.34Å; T65-C119 PolarHBondContact O-N 3.13Å; L67-C119 HydrophobicContact CD1-CB 3.54Å; L67-C119 HydrophobicContact CD2-CB 3.83Å; L67-C119 HydrophobicContact CG-CB 3.52Å; C119-V124 HydrophobicContact CB-CG2 3.92Å
120D88.9Confident93.2Very high18 Ų1841.3 Ų41.310%0.09620%0.202CC..  trans-128.4-173.8159.674.6-0.5000109.8A42 L43 S122 S123A42-D120 VanDerWaalsContact CA-OD2 3.26Å; A42-D120 WeakPolarHBondContact CA-OD2 3.29Å; L43-D120 HydrophobicContact CD1-CB 4.09Å; L43-D120 HydrophobicContact CG-CB 4.48Å; L43-D120 PolarHBondContact N-OD2 3.04Å; D120-S122 VanDerWaalsContact CG-OG 3.25Å; D120-S122 PolarHBondContact O-N 2.95Å; D120-S122 WeakPolarHBondContact OD1-CA 3.38Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 3.3Å; D120-S122 PolarHBondContact OD1-OG 3.37Å; D120-S122 PolarHBondContact OD2-OG 2.81Å; D120-S123 PolarHBondContact N-O 2.73Å; D120-S123 PolarHBondContact OD1-N 3.05Å
121F83.1Confident93.2Very high106 Ų10640.9 Ų40.947%0.46520%0.203SC..SBendtrans-61.5-15.2178.863.9-92.6000114.1A42 H240A42-F121 HydrophobicContact CB-CE1 4.07Å; A42-F121 HydrophobicContact CB-CE2 4.11Å; A42-F121 HydrophobicContact CB-CZ 3.52Å; F121-H240 VanDerWaalsContact CB-CE1 3.49Å; F121-H240 WeakPolarHBondContact CB-CE1 3.45Å
122S86.2Confident93.1Very high51 Ų5144.5 Ų44.536%0.35723%0.225SC..SBendtrans-104.6-42.3-172.169.20000113.1L43 G44 D120L43-S122 PolarHBondContact N-OG 3.44Å; G44-S122 PolarHBondContact N-OG 3.02Å; D120-S122 VanDerWaalsContact CG-OG 3.25Å; D120-S122 PolarHBondContact O-N 2.95Å; D120-S122 WeakPolarHBondContact OD1-CA 3.38Å; D120-S122 WeakPolarHBondContact OD1-CB 3.48Å; D120-S122 PolarHBondContact OD1-N 3.3Å; D120-S122 PolarHBondContact OD1-OG 3.37Å; D120-S122 PolarHBondContact OD2-OG 2.81Å
123S87.3Confident93.1Very high35 Ų3544.9 Ų44.925%0.24523%0.227CC..  trans-160.2170-17972.40000113.4L43 G44 D120L43-S123 WeakPolarHBondContact CB-OG 3.31Å; G44-S123 WeakPolarHBondContact CA-OG 3.39Å; G44-S123 PolarHBondContact N-OG 3.47Å; G44-S123 VanDerWaalsContact N-OG 3.12Å; D120-S123 PolarHBondContact N-O 2.73Å; D120-S123 PolarHBondContact OD1-N 3.05Å
124V91.9Very high93.1Very high69 Ų6942.8 Ų42.842%0.41822%0.216SC..EExtended strand (participates in β ladder)trans-115.2129.8174.8-178.10000108.9L67 I118 C119L67-V124 HydrophobicContact CD1-CG1 3.76Å; L67-V124 HydrophobicContact CD1-CG2 3.96Å; I118-V124 WeakPolarHBondContact O-CA 3.34Å; C119-V124 HydrophobicContact CB-CG2 3.92Å
125T92Very high93.1Very high24 Ų2445.2 Ų45.215%0.14723%0.228CC..EExtended strand (participates in β ladder)trans-135.8148.7-176.8-63.20000111.2I118 F187I118-T125 PolarHBondContact N-O 3.12Å; I118-T125 PolarHBondContact O-N 2.91Å; T125-F187 HydrophobicContact CG2-CB 4.34Å; T125-F187 HydrophobicContact CG2-CD1 4.1Å; T125-F187 HydrophobicContact CG2-CD2 3.27Å; T125-F187 HydrophobicContact CG2-CE1 4.24Å; T125-F187 HydrophobicContact CG2-CE2 3.44Å; T125-F187 VanDerWaalsContact CG2-CE2 3.44Å; T125-F187 HydrophobicContact CG2-CG 3.65Å; T125-F187 HydrophobicContact CG2-CZ 3.94Å
126Q94Very high93Very high106 Ų10650.4 Ų50.450%0.49525%0.249SC..EExtended strand (participates in β ladder)trans-93.6128.4173.5-174172.3-35.500110.7V116V116-Q126 CarbonylContact O-C 3.6Å; V116-Q126 WeakPolarHBondContact O-CA 3.44Å
127V95.3Very high93Very high0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-120.6133.6-177179.40000110V116 I118 M129 L172 F187 C189V116-V127 PolarHBondContact N-O 2.74Å; V116-V127 PolarHBondContact O-N 2.98Å; I118-V127 HydrophobicContact CD1-CB 3.81Å; I118-V127 HydrophobicContact CD1-CG1 4.32Å; I118-V127 HydrophobicContact CD1-CG2 3.62Å; I118-V127 HydrophobicContact CG1-CB 4.49Å; I118-V127 HydrophobicContact CG1-CG2 4.26Å; V127-M129 HydrophobicContact CG1-SD 3.88Å; V127-L172 HydrophobicContact CB-CD2 4.42Å; V127-L172 HydrophobicContact CG1-CD2 3.54Å; V127-L172 HydrophobicContact CG2-CD1 4.2Å; V127-L172 HydrophobicContact CG2-CD2 3.98Å; V127-F187 WeakPolarHBondContact CA-O 3.25Å; V127-F187 HydrophobicContact CB-CB 4.48Å; V127-F187 HydrophobicContact CG2-CB 3.89Å; V127-C189 HydrophobicContact CG1-CB 3.77Å
128T95.9Very high92.8Very high7 Ų744.8 Ų44.84%0.04323%0.229CC..EExtended strand (participates in β ladder)trans-91.6130.3172.6-57.10000110.7L113 L114 N115 F187 I188 C189L113-T128 HydrophobicContact CD1-CG2 3.49Å; L113-T128 VanDerWaalsContact CD1-CG2 3.49Å; L113-T128 HydrophobicContact CG-CG2 4.31Å; L114-T128 CarbonylContact O-C 3.57Å; L114-T128 WeakPolarHBondContact O-CA 3.29Å; N115-T128 PolarHBondContact OD1-OG1 2.83Å; T128-F187 PolarHBondContact N-O 3.48Å; T128-I188 WeakPolarHBondContact O-CA 3.47Å; T128-C189 PolarHBondContact O-N 3.34Å
129M96.2Very high92.7Very high0 Ų051.8 Ų51.80%027%0.267CS..EExtended strand (participates in β ladder)trans-112.6136.5176.3-37.1-73.8-71.200109.2L114 V116 V127 A134 L137 F170 C189 V192L114-M129 HydrophobicContact CB-CB 4.08Å; L114-M129 HydrophobicContact CB-CG 4.16Å; L114-M129 PolarHBondContact N-O 3.45Å; L114-M129 PolarHBondContact O-N 3.38Å; V116-M129 HydrophobicContact CG2-CG 3.76Å; V127-M129 HydrophobicContact CG1-SD 3.88Å; M129-A134 HydrophobicContact CB-CB 4.37Å; M129-L137 HydrophobicContact CE-CD2 4.36Å; M129-F170 HydrophobicContact CE-CD1 4.41Å; M129-F170 HydrophobicContact CE-CE1 4.32Å; M129-C189 HydrophobicContact CE-CB 3.54Å; M129-C189 WeakPolarHBondContact CE-SG 3.15Å; M129-C189 HydrophobicContact SD-CB 3.07Å; M129-C189 WeakPolarHBondContact SD-CB 3.34Å; M129-V192 HydrophobicContact CE-CG2 3.11Å
130F95.1Very high92.8Very high99 Ų9951.5 Ų51.543%0.43426%0.264SS..EExtended strand (participates in β ladder)trans-95.5175.6173.9-68.5-71.6000110.7L113 D132 T133 A134 I188L113-F130 HydrophobicContact CD1-CD1 3.93Å; L113-F130 HydrophobicContact CD1-CE1 3.82Å; F130-D132 PolarHBondContact O-N 3.18Å; F130-T133 PolarHBondContact N-OG1 3.24Å; F130-T133 PolarHBondContact O-N 2.85Å; F130-T133 VanDerWaalsContact O-N 3.07Å; F130-T133 PolarHBondContact O-OG1 2.92Å; F130-T133 VanDerWaalsContact O-OG1 3.1Å; F130-A134 VanDerWaalsContact O-CB 3.23Å; F130-A134 WeakPolarHBondContact O-CB 3.26Å; F130-A134 PolarHBondContact O-N 3.12Å; F130-I188 HydrophobicContact CD2-CG2 4.01Å; F130-I188 HydrophobicContact CE2-CG2 3.55Å
131Q94Very high93Very high56 Ų5656.8 Ų56.826%0.26229%0.286SS..Hα-helixtrans-41.3-59.4-176-174164.5-2.200114.3T133 A134 E135 V142Q131-T133 VanDerWaalsContact C-N 3.29Å; Q131-T133 PolarHBondContact O-N 2.92Å; Q131-A134 PolarHBondContact O-N 2.63Å; Q131-E135 HydrophobicContact CG-CG 4.44Å; Q131-E135 WeakPolarHBondContact O-CG 3.35Å; Q131-E135 PolarHBondContact O-N 2.77Å; Q131-V142 HydrophobicContact CG-CG2 3.9Å
132D94Very high93.5Very high118 Ų11851.9 Ų51.963%0.63127%0.265SS*.Hα-helixtrans-61.6-34.1-175.6-55.2-13.1000113.8F130 K136F130-D132 PolarHBondContact O-N 3.18Å; D132-K136 WeakPolarHBondContact O-CD 3.49Å; D132-K136 WeakPolarHBondContact O-CG 3.44Å
133T95.6Very high93.8Very high9 Ų954.5 Ų54.56%0.05528%0.275CS..Hα-helixtrans-85.2-29.8179.250.10000112.2F130 Q131 L137 V190 V192F130-T133 PolarHBondContact N-OG1 3.24Å; F130-T133 PolarHBondContact O-N 2.85Å; F130-T133 VanDerWaalsContact O-N 3.07Å; F130-T133 PolarHBondContact O-OG1 2.92Å; F130-T133 VanDerWaalsContact O-OG1 3.1Å; Q131-T133 VanDerWaalsContact C-N 3.29Å; Q131-T133 PolarHBondContact O-N 2.92Å; T133-L137 WeakPolarHBondContact O-CB 3.42Å; T133-L137 PolarHBondContact O-N 2.59Å; T133-L137 VanDerWaalsContact O-N 3.13Å; T133-V190 WeakPolarHBondContact CG2-O 3.42Å; T133-V192 HydrophobicContact CG2-CG2 4.47Å
134A95.4Very high94.1Very high0 Ų057.9 Ų57.90%029%0.287CS..Hα-helixtrans-71.3-45.7175.900000112.2L112 L114 M129 F130 Q131 K136 L137 L138L112-A134 HydrophobicContact CB-CB 3.82Å; L112-A134 HydrophobicContact CD1-CB 3.78Å; L112-A134 HydrophobicContact CG-CB 4.4Å; L114-A134 HydrophobicContact CD1-CB 3.5Å; L114-A134 VanDerWaalsContact CD1-CB 3.5Å; L114-A134 HydrophobicContact CG-CB 3.72Å; M129-A134 HydrophobicContact CB-CB 4.37Å; F130-A134 VanDerWaalsContact O-CB 3.23Å; F130-A134 WeakPolarHBondContact O-CB 3.26Å; F130-A134 PolarHBondContact O-N 3.12Å; Q131-A134 PolarHBondContact O-N 2.63Å; A134-K136 VanDerWaalsContact C-N 3.31Å; A134-K136 PolarHBondContact O-N 3.19Å; A134-L137 PolarHBondContact O-N 3.39Å; A134-L138 PolarHBondContact O-N 3.14Å
135E94.9Very high94.2Very high51 Ų5154.7 Ų54.724%0.23827%0.267CS..Hα-helixtrans-62.5-39.6176.3-70.1-172.4154.300111.4L112 Q131 L137 N139 V140 V142L112-E135 HydrophobicContact CD1-CG 3.81Å; Q131-E135 HydrophobicContact CG-CG 4.44Å; Q131-E135 WeakPolarHBondContact O-CG 3.35Å; Q131-E135 PolarHBondContact O-N 2.77Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.04Å; E135-N139 WeakPolarHBondContact O-CA 3.42Å; E135-N139 PolarHBondContact O-N 3.37Å; E135-V140 PolarHBondContact O-N 2.84Å; E135-V142 HydrophobicContact CG-CG2 4.1Å; E135-V142 WeakPolarHBondContact OE1-CG2 3.47Å; E135-V142 PolarHBondContact OE1-N 2.79Å
136K94.5Very high94.2Very high139 Ų13954.1 Ų54.160%0.60426%0.264SS*.Hα-helixtrans-63.7-38.6174.5-75.5176.2-174.7178.90112.7D132 A134D132-K136 WeakPolarHBondContact O-CD 3.49Å; D132-K136 WeakPolarHBondContact O-CG 3.44Å; A134-K136 VanDerWaalsContact C-N 3.31Å; A134-K136 PolarHBondContact O-N 3.19Å
137L94.4Very high94.2Very high7 Ų751.6 Ų51.64%0.03726%0.259CS..Hα-helixtrans-71.1-43.8-178.6-179.668.4000112I66 V116 M129 T133 A134 E135 V163 F168 V192I66-L137 HydrophobicContact CD1-CD1 3.52Å; I66-L137 HydrophobicContact CD1-CD2 3.95Å; I66-L137 HydrophobicContact CD1-CG 4.24Å; V116-L137 HydrophobicContact CG2-CD2 4.23Å; M129-L137 HydrophobicContact CE-CD2 4.36Å; T133-L137 WeakPolarHBondContact O-CB 3.42Å; T133-L137 PolarHBondContact O-N 2.59Å; T133-L137 VanDerWaalsContact O-N 3.13Å; A134-L137 PolarHBondContact O-N 3.39Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.04Å; L137-V163 HydrophobicContact CD1-CG1 3.76Å; L137-V163 HydrophobicContact CD2-CG1 4.27Å; L137-V163 HydrophobicContact CG-CG1 3.78Å; L137-V163 WeakPolarHBondContact O-CG2 3.43Å; L137-F168 HydrophobicContact CD1-CD1 4.37Å; L137-F168 HydrophobicContact CD1-CD2 3.93Å; L137-F168 HydrophobicContact CD1-CE1 4.12Å; L137-F168 HydrophobicContact CD1-CE2 3.66Å; L137-F168 HydrophobicContact CD1-CG 4.27Å; L137-F168 HydrophobicContact CD1-CZ 3.77Å; L137-V192 HydrophobicContact CD1-CG1 4.12Å
138L93.1Very high94.1Very high12 Ų1253.4 Ų53.46%0.06327%0.27CS..Hα-helixtrans-82.2-18178.9-63.6177000112.9L114 A134 V140 L145 F160 V163L114-L138 HydrophobicContact CD1-CD1 3.98Å; L114-L138 HydrophobicContact CD1-CG 4.19Å; A134-L138 PolarHBondContact O-N 3.14Å; L138-V140 PolarHBondContact O-N 3.39Å; L138-L145 HydrophobicContact CD1-CD2 4.02Å; L138-F160 HydrophobicContact CD1-CE1 3.93Å; L138-F160 HydrophobicContact CD1-CZ 4.17Å; L138-F160 HydrophobicContact CD2-CD1 3.88Å; L138-F160 HydrophobicContact CD2-CE1 3.92Å; L138-V163 HydrophobicContact CD2-CG2 4.1Å
139N93.1Very high93.9Very high149 Ų14958.3 Ų58.380%0.79729%0.287SS*.THydrogen-bonded Turntrans56.731.4-171.7-162.638.9000113.6E135E135-N139 WeakPolarHBondContact O-CA 3.42Å; E135-N139 PolarHBondContact O-N 3.37Å
140V93.3Very high93.6Very high26 Ų2665.7 Ų65.716%0.15832%0.322CS..SBendtrans-138.6140.3-179.4179.70000109E135 L138 E144 L145 L159E135-V140 PolarHBondContact O-N 2.84Å; L138-V140 PolarHBondContact O-N 3.39Å; V140-E144 HydrophobicContact CG1-CB 3.8Å; V140-L145 HydrophobicContact CG1-CB 4.26Å; V140-L159 HydrophobicContact CG2-CD2 4.17Å
141K94.3Very high93.6Very high128 Ų12868.8 Ų68.856%0.55734%0.338SS*.  trans-76154.3177.2-69.4-178.7178.8174.60111.9D143 E144 L145K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.84Å; K141-E144 PolarHBondContact O-N 3.16Å; K141-L145 PolarHBondContact O-N 2.71Å
142V93.7Very high93.5Very high3 Ų370 Ų702%0.01835%0.346CS..Hα-helixtrans-57.7-40.7-179.5-166.10000112.9M75 W110 L112 Q131 E135 E144 L145 S146M75-V142 HydrophobicContact SD-CG1 4.37Å; W110-V142 HydrophobicContact CB-CG1 3.7Å; W110-V142 WeakPolarHBondContact O-CG1 3.26Å; L112-V142 HydrophobicContact CB-CG2 4.45Å; L112-V142 HydrophobicContact CD1-CB 4.49Å; L112-V142 HydrophobicContact CD1-CG2 3.63Å; L112-V142 HydrophobicContact CD2-CG1 4.39Å; L112-V142 HydrophobicContact CG-CB 4.31Å; L112-V142 HydrophobicContact CG-CG1 4.01Å; L112-V142 HydrophobicContact CG-CG2 3.6Å; Q131-V142 HydrophobicContact CG-CG2 3.9Å; E135-V142 HydrophobicContact CG-CG2 4.1Å; E135-V142 WeakPolarHBondContact OE1-CG2 3.47Å; E135-V142 PolarHBondContact OE1-N 2.79Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.6Å; V142-L145 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-N 2.74Å; V142-S146 PolarHBondContact O-OG 3.47Å
143D92.1Very high93.4Very high106 Ų10671 Ų7157%0.56735%0.348SS*.Hα-helixtrans-64.2-39.3-177.5-60.4-38000112.3K141 S146 S147K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 2.84Å; D143-S146 PolarHBondContact O-OG 3.04Å; D143-S147 PolarHBondContact O-N 2.86Å; D143-S147 PolarHBondContact O-OG 3.12Å
144E93.5Very high93.3Very high107 Ų10775.9 Ų75.950%0.537%0.37SS..Hα-helixtrans-68.8-44.9175-68.4170-168.200109.9V140 K141 V142 S146 S147 V148V140-E144 HydrophobicContact CG1-CB 3.8Å; K141-E144 PolarHBondContact O-N 3.16Å; V142-E144 VanDerWaalsContact C-N 3.34Å; V142-E144 PolarHBondContact O-N 2.6Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.37Å; E144-S147 WeakPolarHBondContact O-CB 3.5Å; E144-S147 PolarHBondContact O-N 2.83Å; E144-S147 VanDerWaalsContact O-N 3.1Å; E144-V148 WeakPolarHBondContact O-CG2 3.42Å; E144-V148 PolarHBondContact O-N 3.14Å
145L93.7Very high93.2Very high1 Ų177.4 Ų77.41%0.00538%0.383CS..Hα-helixtrans-61.8-39.1179.5-166.273.5000112.3M75 L112 L138 V140 K141 V142 S147 R149 F156 L159 F160M75-L145 HydrophobicContact CE-CD2 4.26Å; M75-L145 HydrophobicContact CE-CG 4.38Å; M75-L145 HydrophobicContact SD-CD2 3.99Å; M75-L145 HydrophobicContact SD-CG 4.36Å; L112-L145 HydrophobicContact CD2-CD2 3.51Å; L138-L145 HydrophobicContact CD1-CD2 4.02Å; V140-L145 HydrophobicContact CG1-CB 4.26Å; K141-L145 PolarHBondContact O-N 2.71Å; V142-L145 PolarHBondContact O-N 2.98Å; L145-S147 VanDerWaalsContact C-N 3.35Å; L145-R149 WeakPolarHBondContact O-CB 3.25Å; L145-R149 PolarHBondContact O-N 3.49Å; L145-F156 HydrophobicContact CD1-CD2 4.05Å; L145-F156 HydrophobicContact CD1-CE2 4.05Å; L145-F156 HydrophobicContact CD2-CE2 4.28Å; L145-F156 HydrophobicContact CG-CD2 4.28Å; L145-F156 HydrophobicContact CG-CE2 3.93Å; L145-L159 HydrophobicContact CD1-CD1 3.87Å; L145-F160 HydrophobicContact CD2-CZ 4.45Å
146S92.4Very high93.1Very high12 Ų1275.5 Ų75.58%0.08437%0.374CS..Hα-helixtrans-65.8-38.4174.757.50000112.4W110 V142 D143 E144 R149 E150W110-S146 VanDerWaalsContact CD1-CB 3.44Å; V142-S146 PolarHBondContact O-N 2.74Å; V142-S146 PolarHBondContact O-OG 3.47Å; D143-S146 PolarHBondContact O-OG 3.04Å; E144-S146 VanDerWaalsContact C-N 3.33Å; E144-S146 PolarHBondContact O-N 3.37Å; S146-R149 PolarHBondContact O-N 3.06Å; S146-E150 PolarHBondContact O-N 3Å
147S93.5Very high93.1Very high54 Ų5470.7 Ų70.738%0.37836%0.355SS..Hα-helixtrans-67.5-42.6178.7-56.80000111.2D143 E144 L145 E150 Q151D143-S147 PolarHBondContact O-N 2.86Å; D143-S147 PolarHBondContact O-OG 3.12Å; E144-S147 WeakPolarHBondContact O-CB 3.5Å; E144-S147 PolarHBondContact O-N 2.83Å; E144-S147 VanDerWaalsContact O-N 3.1Å; L145-S147 VanDerWaalsContact C-N 3.35Å; S147-E150 PolarHBondContact O-N 2.83Å; S147-Q151 VanDerWaalsContact O-CG 3.29Å; S147-Q151 WeakPolarHBondContact O-CG 3.47Å; S147-Q151 PolarHBondContact O-N 3.28Å; S147-Q151 VanDerWaalsContact O-N 3.15Å
148V93.2Very high93Very high38 Ų3873.7 Ų73.723%0.2337%0.371CS..Hα-helixtrans-62.5-44176.1174.90000110.5E144 E150 Q151 D152 A155 F156 L159E144-V148 WeakPolarHBondContact O-CG2 3.42Å; E144-V148 PolarHBondContact O-N 3.14Å; V148-E150 VanDerWaalsContact C-N 3.26Å; V148-E150 PolarHBondContact O-N 3.28Å; V148-Q151 PolarHBondContact O-N 3.08Å; V148-D152 CarbonylContact O-C 3.55Å; V148-D152 PolarHBondContact O-N 2.91Å; V148-D152 VanDerWaalsContact O-O 3.08Å; V148-A155 HydrophobicContact CG1-CB 4.06Å; V148-F156 HydrophobicContact CG1-CB 4.16Å; V148-L159 HydrophobicContact CG1-CD1 4.3Å
149R91.6Very high93Very high109 Ų10974.9 Ų74.941%0.41138%0.377SS..Hα-helixtrans-57.6-36.4177.9-179.1179.7169.1173.62.7113.4M75 L145 S146 F156M75-R149 HydrophobicContact CE-CB 4.33Å; M75-R149 VanDerWaalsContact CE-CD 3.44Å; M75-R149 HydrophobicContact CE-CG 4.49Å; L145-R149 WeakPolarHBondContact O-CB 3.25Å; L145-R149 PolarHBondContact O-N 3.49Å; S146-R149 PolarHBondContact O-N 3.06Å; R149-F156 HydrophobicContact CB-CD2 3.74Å; R149-F156 HydrophobicContact CB-CE2 3.99Å; R149-F156 HydrophobicContact CB-CG 4.33Å; R149-F156 HydrophobicContact CG-CD2 4.28Å; R149-F156 HydrophobicContact CG-CE2 4.28Å
150E91Very high93Very high155 Ų15567.8 Ų67.872%0.72434%0.339SS*.Hα-helixtrans-79.6-29.9179.9-71.4177.7-172.600113.1S146 S147 V148S146-E150 PolarHBondContact O-N 3Å; S147-E150 PolarHBondContact O-N 2.83Å; V148-E150 VanDerWaalsContact C-N 3.26Å; V148-E150 PolarHBondContact O-N 3.28Å
151Q94.1Very high93Very high165 Ų16570.2 Ų70.277%0.77135%0.351SS*.Hα-helixtrans-88-48.3-176.4-69.1174.411.100112.9S147 V148S147-Q151 VanDerWaalsContact O-CG 3.29Å; S147-Q151 WeakPolarHBondContact O-CG 3.47Å; S147-Q151 PolarHBondContact O-N 3.28Å; S147-Q151 VanDerWaalsContact O-N 3.15Å; V148-Q151 PolarHBondContact O-N 3.08Å
152D92.8Very high92.9Very high80 Ų8069.3 Ų69.343%0.42835%0.349SS..  trans-147.2106.6-173.5-173-2.7000111.1V148 Q154 A155 F156V148-D152 CarbonylContact O-C 3.55Å; V148-D152 PolarHBondContact O-N 2.91Å; V148-D152 VanDerWaalsContact O-O 3.08Å; D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 PolarHBondContact O-N 3Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.44Å; D152-Q154 PolarHBondContact OD1-N 3.49Å; D152-A155 HydrophobicContact CB-CB 3.96Å; D152-A155 PolarHBondContact OD1-N 3.37Å; D152-F156 PolarHBondContact O-N 2.71Å; D152-F156 VanDerWaalsContact O-N 3.16Å
153M91.6Very high92.9Very high139 Ų13969.6 Ų69.669%0.68535%0.351SS*.Hα-helixtrans-66.5-29.9178.1-172178-72.800112.2F156 D157M153-F156 WeakPolarHBondContact O-CB 3.27Å; M153-F156 PolarHBondContact O-N 3.29Å; M153-D157 PolarHBondContact O-N 3.19Å
154Q93.2Very high92.9Very high112 Ų11265.5 Ų65.552%0.52333%0.33SS..Hα-helixtrans-71.9-46.3179.7-173.861.944.700110.7D152 F156 D157 D158D152-Q154 VanDerWaalsContact C-N 3.28Å; D152-Q154 PolarHBondContact O-N 3Å; D152-Q154 WeakPolarHBondContact OD1-CB 3.44Å; D152-Q154 PolarHBondContact OD1-N 3.49Å; Q154-F156 PolarHBondContact O-N 3.23Å; Q154-D157 PolarHBondContact O-N 3.23Å; Q154-D157 VanDerWaalsContact O-N 3.08Å; Q154-D158 PolarHBondContact NE2-OD1 3.22Å; Q154-D158 VanDerWaalsContact O-CG 3.23Å; Q154-D158 PolarHBondContact O-N 3.45Å
155A92.9Very high92.8Very high33 Ų3367.7 Ų67.727%0.27334%0.338SS..Hα-helixtrans-60.1-34.3174.400000111.9V148 D152 L159V148-A155 HydrophobicContact CG1-CB 4.06Å; D152-A155 HydrophobicContact CB-CB 3.96Å; D152-A155 PolarHBondContact OD1-N 3.37Å; A155-L159 WeakPolarHBondContact O-CG 3.49Å; A155-L159 PolarHBondContact O-N 3Å
156F93.5Very high92.7Very high11 Ų1174.3 Ų74.35%0.04836%0.363CS..Hα-helixtrans-62.7-46.1172.7176.1-95.1000112R71 M75 L145 V148 R149 D152 M153 Q154 L159 F160R71-F156 HydrophobicContact CB-CE1 4.33Å; M75-F156 HydrophobicContact CE-CE2 3.79Å; M75-F156 HydrophobicContact CE-CZ 4.21Å; L145-F156 HydrophobicContact CD1-CD2 4.05Å; L145-F156 HydrophobicContact CD1-CE2 4.05Å; L145-F156 HydrophobicContact CD2-CE2 4.28Å; L145-F156 HydrophobicContact CG-CD2 4.28Å; L145-F156 HydrophobicContact CG-CE2 3.93Å; V148-F156 HydrophobicContact CG1-CB 4.16Å; R149-F156 HydrophobicContact CB-CD2 3.74Å; R149-F156 HydrophobicContact CB-CE2 3.99Å; R149-F156 HydrophobicContact CB-CG 4.33Å; R149-F156 HydrophobicContact CG-CD2 4.28Å; R149-F156 HydrophobicContact CG-CE2 4.28Å; D152-F156 PolarHBondContact O-N 2.71Å; D152-F156 VanDerWaalsContact O-N 3.16Å; M153-F156 WeakPolarHBondContact O-CB 3.27Å; M153-F156 PolarHBondContact O-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.23Å; F156-L159 PolarHBondContact O-N 3.02Å; F156-F160 HydrophobicContact CD1-CD2 4.34Å; F156-F160 AromaticContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD2-CE2 4.06Å; F156-F160 HydrophobicContact CE1-CD2 4.14Å; F156-F160 AromaticContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CE2 3.49Å; F156-F160 VanDerWaalsContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CZ 4.36Å; F156-F160 AromaticContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CZ 4.12Å; F156-F160 HydrophobicContact CG-CE2 4.24Å; F156-F160 HydrophobicContact CZ-CD2 4.36Å; F156-F160 AromaticContact CZ-CE2 3.31Å; F156-F160 HydrophobicContact CZ-CE2 3.31Å; F156-F160 AromaticContact CZ-CZ 3.82Å; F156-F160 HydrophobicContact CZ-CZ 3.82Å; F156-F160 WeakPolarHBondContact O-CD2 3.46Å
157D93.5Very high92.7Very high38 Ų3876.3 Ų76.320%0.20337%0.373CS..Hα-helixtrans-64.5-42.5177.7-81.4-35.7000112.6R71 M153 Q154 L159 F160 D161R71-D157 WeakPolarHBondContact CD-OD1 3.49Å; R71-D157 IonicContact CZ-OD1 2.91Å; R71-D157 IonicContact NE-OD1 3.17Å; R71-D157 VanDerWaalsContact NH1-CB 3.34Å; R71-D157 IonicContact NH1-OD1 2.61Å; R71-D157 PolarHBondContact NH1-OD1 3.02Å; R71-D157 IonicContact NH1-OD2 3.33Å; M153-D157 PolarHBondContact O-N 3.19Å; Q154-D157 PolarHBondContact O-N 3.23Å; Q154-D157 VanDerWaalsContact O-N 3.08Å; D157-L159 PolarHBondContact O-N 2.83Å; D157-F160 PolarHBondContact O-N 3.45Å; D157-D161 PolarHBondContact O-N 3.06Å
158D93.5Very high92.6Very high70 Ų7074.3 Ų74.337%0.37436%0.357SS..Hα-helixtrans-59.6-33.1179-66.7-12.1000112Q154 F160 D161 Q162Q154-D158 PolarHBondContact NE2-OD1 3.22Å; Q154-D158 VanDerWaalsContact O-CG 3.23Å; Q154-D158 PolarHBondContact O-N 3.45Å; D158-F160 VanDerWaalsContact C-N 3.34Å; D158-F160 PolarHBondContact O-N 3.48Å; D158-D161 PolarHBondContact O-N 2.93Å; D158-Q162 VanDerWaalsContact O-CG 3.25Å; D158-Q162 WeakPolarHBondContact O-CG 3.08Å; D158-Q162 PolarHBondContact O-N 2.82Å
159L93.2Very high92.6Very high36 Ų3673 Ų7319%0.18835%0.349CS..Hα-helixtrans-63.4-37.5174.9-72.6170.2000112.4V140 L145 V148 A155 F156 D157V140-L159 HydrophobicContact CG2-CD2 4.17Å; L145-L159 HydrophobicContact CD1-CD1 3.87Å; V148-L159 HydrophobicContact CG1-CD1 4.3Å; A155-L159 WeakPolarHBondContact O-CG 3.49Å; A155-L159 PolarHBondContact O-N 3Å; F156-L159 PolarHBondContact O-N 3.02Å; D157-L159 PolarHBondContact O-N 2.83Å
160F93.5Very high92.6Very high0 Ų067.9 Ų67.90%033%0.33CS..Hα-helixtrans-76-36.1176.1-68.6-80.9000111.8V69 R71 C74 L114 L138 L145 F156 D157 D158 Q162 V163 T164V69-F160 HydrophobicContact CB-CD1 3.93Å; V69-F160 HydrophobicContact CG1-CD1 3.58Å; V69-F160 HydrophobicContact CG1-CE1 3.81Å; R71-F160 HydrophobicContact CG-CB 4.47Å; R71-F160 HydrophobicContact CG-CD2 4.18Å; R71-F160 HydrophobicContact CG-CG 4.15Å; C74-F160 HydrophobicContact CB-CZ 4.38Å; L114-F160 HydrophobicContact CD2-CE1 4.07Å; L138-F160 HydrophobicContact CD1-CE1 3.93Å; L138-F160 HydrophobicContact CD1-CZ 4.17Å; L138-F160 HydrophobicContact CD2-CD1 3.88Å; L138-F160 HydrophobicContact CD2-CE1 3.92Å; L145-F160 HydrophobicContact CD2-CZ 4.45Å; F156-F160 HydrophobicContact CD1-CD2 4.34Å; F156-F160 AromaticContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD1-CE2 3.96Å; F156-F160 HydrophobicContact CD2-CE2 4.06Å; F156-F160 HydrophobicContact CE1-CD2 4.14Å; F156-F160 AromaticContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CE2 3.49Å; F156-F160 VanDerWaalsContact CE1-CE2 3.49Å; F156-F160 HydrophobicContact CE1-CZ 4.36Å; F156-F160 AromaticContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CE2 3.61Å; F156-F160 HydrophobicContact CE2-CZ 4.12Å; F156-F160 HydrophobicContact CG-CE2 4.24Å; F156-F160 HydrophobicContact CZ-CD2 4.36Å; F156-F160 AromaticContact CZ-CE2 3.31Å; F156-F160 HydrophobicContact CZ-CE2 3.31Å; F156-F160 AromaticContact CZ-CZ 3.82Å; F156-F160 HydrophobicContact CZ-CZ 3.82Å; F156-F160 WeakPolarHBondContact O-CD2 3.46Å; D157-F160 PolarHBondContact O-N 3.45Å; D158-F160 VanDerWaalsContact C-N 3.34Å; D158-F160 PolarHBondContact O-N 3.48Å; F160-Q162 VanDerWaalsContact C-N 3.3Å; F160-Q162 PolarHBondContact O-N 3.06Å; F160-V163 PolarHBondContact O-N 3.06Å; F160-T164 PolarHBondContact O-N 3.14Å; F160-T164 VanDerWaalsContact O-N 3.14Å; F160-T164 PolarHBondContact O-OG1 2.8Å
161D92.9Very high92.7Very high77 Ų7766 Ų6641%0.41232%0.316SS..Hα-helixtrans-64.8-35.5177.3-72.4-29.1000111.8R71 D157 D158 V163 T164R71-D161 IonicContact CZ-OD1 3.93Å; R71-D161 IonicContact NH1-OD2 3.86Å; R71-D161 IonicContact NH2-OD1 2.69Å; R71-D161 PolarHBondContact NH2-OD1 3.01Å; R71-D161 IonicContact NH2-OD2 2.7Å; D157-D161 PolarHBondContact O-N 3.06Å; D158-D161 PolarHBondContact O-N 2.93Å; D161-V163 PolarHBondContact O-N 3.33Å; D161-T164 PolarHBondContact O-N 3.32Å
162Q92.3Very high92.7Very high109 Ų10958.2 Ų58.251%0.50928%0.28SS..Hα-helixtrans-58.4-33174.7-77.5171.744.500113.7D158 F160 R166D158-Q162 VanDerWaalsContact O-CG 3.25Å; D158-Q162 WeakPolarHBondContact O-CG 3.08Å; D158-Q162 PolarHBondContact O-N 2.82Å; F160-Q162 VanDerWaalsContact C-N 3.3Å; F160-Q162 PolarHBondContact O-N 3.06Å; Q162-R166 WeakPolarHBondContact O-CD 3.17Å; Q162-R166 VanDerWaalsContact O-CZ 3.27Å; Q162-R166 PolarHBondContact O-NE 2.91Å; Q162-R166 PolarHBondContact O-NH2 2.89Å
163V92.5Very high92.6Very high10 Ų1057.7 Ų57.76%0.06127%0.272CS..Hα-helixtrans-89.6-23.2-1781770000112I66 L137 L138 F160 D161 R166 F168I66-V163 HydrophobicContact CD1-CG1 3.65Å; L137-V163 HydrophobicContact CD1-CG1 3.76Å; L137-V163 HydrophobicContact CD2-CG1 4.27Å; L137-V163 HydrophobicContact CG-CG1 3.78Å; L137-V163 WeakPolarHBondContact O-CG2 3.43Å; L138-V163 HydrophobicContact CD2-CG2 4.1Å; F160-V163 PolarHBondContact O-N 3.06Å; D161-V163 PolarHBondContact O-N 3.33Å; V163-R166 WeakPolarHBondContact O-CB 3.22Å; V163-R166 PolarHBondContact O-N 2.86Å; V163-F168 HydrophobicContact CG1-CE2 4.09Å; V163-F168 HydrophobicContact CG1-CZ 4.39Å
164T93.3Very high92.6Very high20 Ų2051.1 Ų51.112%0.12324%0.239CC..THydrogen-bonded Turntrans-65.2144179-55.40000110.3L67 F160 D161 R166L67-T164 VanDerWaalsContact O-CG2 3.25Å; L67-T164 WeakPolarHBondContact O-CG2 3.27Å; F160-T164 PolarHBondContact O-N 3.14Å; F160-T164 VanDerWaalsContact O-N 3.14Å; F160-T164 PolarHBondContact O-OG1 2.8Å; D161-T164 PolarHBondContact O-N 3.32Å; T164-R166 PolarHBondContact O-N 3.17Å
165F91.5Very high92.3Very high152 Ų15249.2 Ų49.267%0.66723%0.229SC*.THydrogen-bonded Turntrans60.915-173.6-57.1-67.5000116.4I66 L67I66-F165 VanDerWaalsContact O-CA 3.29Å; I66-F165 WeakPolarHBondContact O-CA 3.28Å; I66-F165 PolarHBondContact O-N 2.61Å; L67-F165 HydrophobicContact CD2-CE1 4.2Å
166R91.8Very high92Very high140 Ų14050.7 Ų50.753%0.52823%0.231SC..  trans-90.3149.5168.8-64.2-166.9-174.3-164.55.2112.4T65 I66 Q162 V163 T164 F168T65-R166 WeakPolarHBondContact CA-O 3.46Å; I66-R166 PolarHBondContact N-O 3.08Å; Q162-R166 WeakPolarHBondContact O-CD 3.17Å; Q162-R166 VanDerWaalsContact O-CZ 3.27Å; Q162-R166 PolarHBondContact O-NE 2.91Å; Q162-R166 PolarHBondContact O-NH2 2.89Å; V163-R166 WeakPolarHBondContact O-CB 3.22Å; V163-R166 PolarHBondContact O-N 2.86Å; T164-R166 PolarHBondContact O-N 3.17Å; R166-F168 HydrophobicContact CB-CD2 4.24Å; R166-F168 HydrophobicContact CB-CE2 3.52Å; R166-F168 HydrophobicContact CB-CZ 4.06Å
167N91.1Very high91.6Very high55 Ų5553.6 Ų53.629%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-94.2127.5178.3-67.4-25.3000110.2G64 T65 V195 E236G64-N167 WeakPolarHBondContact O-CA 3.4Å; T65-N167 WeakPolarHBondContact CB-OD1 3.36Å; T65-N167 WeakPolarHBondContact CG2-OD1 3.4Å; T65-N167 PolarHBondContact OG1-OD1 2.79Å; N167-V195 HydrophobicContact CB-CG2 4.33Å; N167-E236 PolarHBondContact ND2-OE2 3.24Å
168F92.7Very high91.3Very high12 Ų1256.4 Ų56.45%0.05326%0.263CS..EExtended strand (participates in β ladder)trans-132162.6174.7-63.1-89.4000110.2G64 I66 L137 V163 R166 F170 V192 D194G64-F168 PolarHBondContact N-O 3.09Å; G64-F168 PolarHBondContact O-N 2.88Å; I66-F168 HydrophobicContact CD1-CD2 3.67Å; I66-F168 HydrophobicContact CD1-CE2 3.71Å; I66-F168 HydrophobicContact CG1-CD2 4.24Å; L137-F168 HydrophobicContact CD1-CD1 4.37Å; L137-F168 HydrophobicContact CD1-CD2 3.93Å; L137-F168 HydrophobicContact CD1-CE1 4.12Å; L137-F168 HydrophobicContact CD1-CE2 3.66Å; L137-F168 HydrophobicContact CD1-CG 4.27Å; L137-F168 HydrophobicContact CD1-CZ 3.77Å; V163-F168 HydrophobicContact CG1-CE2 4.09Å; V163-F168 HydrophobicContact CG1-CZ 4.39Å; R166-F168 HydrophobicContact CB-CD2 4.24Å; R166-F168 HydrophobicContact CB-CE2 3.52Å; R166-F168 HydrophobicContact CB-CZ 4.06Å; F168-F170 HydrophobicContact CB-CD2 4.31Å; F168-F170 HydrophobicContact CB-CE1 4.1Å; F168-F170 HydrophobicContact CB-CE2 3.67Å; F168-F170 HydrophobicContact CB-CZ 3.56Å; F168-F170 HydrophobicContact CD2-CZ 4.17Å; F168-F170 HydrophobicContact CG-CZ 4.25Å; F168-V192 HydrophobicContact CB-CG1 4.03Å; F168-V192 HydrophobicContact CD1-CG1 3.92Å; F168-V192 HydrophobicContact CG-CG1 4.13Å; F168-D194 WeakPolarHBondContact CD1-OD1 3.45Å; F168-D194 WeakPolarHBondContact CE1-OD1 3.29Å
169L91.8Very high90.9Very high11 Ų1159.9 Ų59.96%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-101.9113.4171.5-164.5146.2000108.5Y35 T61 E193 V195Y35-L169 HydrophobicContact CD1-CD1 3.14Å; Y35-L169 HydrophobicContact CE1-CD1 3.37Å; Y35-L169 HydrophobicContact CG-CD1 4.17Å; T61-L169 HydrophobicContact CG2-CD1 4.46Å; T61-L169 HydrophobicContact CG2-CD2 3.25Å; T61-L169 HydrophobicContact CG2-CG 3.92Å; L169-E193 HydrophobicContact CB-CB 4.4Å; L169-E193 PolarHBondContact N-O 2.82Å; L169-E193 PolarHBondContact O-N 3.31Å; L169-V195 HydrophobicContact CB-CG2 4.26Å
170F93.2Very high90.6Very high0 Ų064 Ų640%029%0.294CS..EExtended strand (participates in β ladder)trans-104.1125.6-175.9-59.5-83.6000110T61 V62 I66 I118 M129 F168 L172 V192T61-F170 CarbonylContact C-O 3.51Å; T61-F170 WeakPolarHBondContact CA-O 3.09Å; V62-F170 PolarHBondContact N-O 3.17Å; V62-F170 PolarHBondContact O-N 2.84Å; I66-F170 HydrophobicContact CD1-CZ 4Å; I66-F170 HydrophobicContact CG1-CZ 3.8Å; I118-F170 HydrophobicContact CD1-CD1 3.77Å; I118-F170 HydrophobicContact CD1-CD2 3.86Å; I118-F170 HydrophobicContact CD1-CE1 3.65Å; I118-F170 HydrophobicContact CD1-CE2 3.74Å; I118-F170 HydrophobicContact CD1-CG 3.86Å; I118-F170 HydrophobicContact CD1-CZ 3.62Å; I118-F170 HydrophobicContact CG1-CE2 4.29Å; I118-F170 HydrophobicContact CG1-CZ 4.19Å; I118-F170 HydrophobicContact CG2-CD2 4.01Å; I118-F170 HydrophobicContact CG2-CE2 3.65Å; I118-F170 HydrophobicContact CG2-CZ 4.34Å; M129-F170 HydrophobicContact CE-CD1 4.41Å; M129-F170 HydrophobicContact CE-CE1 4.32Å; F168-F170 HydrophobicContact CB-CD2 4.31Å; F168-F170 HydrophobicContact CB-CE1 4.1Å; F168-F170 HydrophobicContact CB-CE2 3.67Å; F168-F170 HydrophobicContact CB-CZ 3.56Å; F168-F170 HydrophobicContact CD2-CZ 4.17Å; F168-F170 HydrophobicContact CG-CZ 4.25Å; F170-L172 HydrophobicContact CB-CD2 3.85Å; F170-L172 HydrophobicContact CB-CG 4.13Å; F170-V192 HydrophobicContact CD1-CG1 4.35Å; F170-V192 HydrophobicContact CD1-CG2 4.14Å; F170-V192 HydrophobicContact CE1-CG1 4.14Å; F170-V192 HydrophobicContact CE1-CG2 4.32Å
171R92.5Very high90.3Very high117 Ų11771.7 Ų71.744%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-92.3106.5163.9-168.8171.8174.9166-3.4108.6F60 V190 R191F60-R171 CarbonylContact O-C 3.48Å; F60-R171 WeakPolarHBondContact O-CA 3.43Å; R171-V190 PolarHBondContact O-N 3.01Å; R171-R191 HydrophobicContact CB-CB 3.94Å; R171-R191 PolarHBondContact N-O 3.08Å; R171-R191 PolarHBondContact O-N 2.9Å
172L92.9Very high90.1Very high1 Ų173 Ų731%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-98.1136.4-176.8-56.3-177.9000110.3L43 Y59 F60 V62 V127 F170 F187 I188 C189L43-L172 HydrophobicContact CD2-CD1 4.04Å; Y59-L172 CarbonylContact C-O 3.48Å; Y59-L172 WeakPolarHBondContact CA-O 3.11Å; F60-L172 PolarHBondContact N-O 2.97Å; F60-L172 PolarHBondContact O-N 3.04Å; V62-L172 HydrophobicContact CB-CD1 4.4Å; V62-L172 HydrophobicContact CG2-CD1 4.03Å; V127-L172 HydrophobicContact CB-CD2 4.42Å; V127-L172 HydrophobicContact CG1-CD2 3.54Å; V127-L172 HydrophobicContact CG2-CD1 4.2Å; V127-L172 HydrophobicContact CG2-CD2 3.98Å; F170-L172 HydrophobicContact CB-CD2 3.85Å; F170-L172 HydrophobicContact CB-CG 4.13Å; L172-F187 HydrophobicContact CD1-CD1 4.14Å; L172-I188 CarbonylContact C-O 3.53Å; L172-I188 WeakPolarHBondContact CA-O 3.49Å; L172-C189 HydrophobicContact CD2-CB 4.16Å
173R91.7Very high89.8Confident69 Ų6973.1 Ų73.126%0.2634%0.342SS..EExtended strand (participates in β ladder)trans-101127.2162.7178.3-176.8-176.7-171-4.4107.7Q56 D58 Y59 I188 V190Q56-R173 PolarHBondContact O-NE 3.21Å; Q56-R173 PolarHBondContact O-NH2 2.69Å; D58-R173 CarbonylContact O-C 3.59Å; D58-R173 WeakPolarHBondContact O-CA 3.15Å; Y59-R173 HydrophobicContact CD1-CB 4.06Å; Y59-R173 HydrophobicContact CD1-CG 4.46Å; Y59-R173 HydrophobicContact CE1-CB 3.91Å; Y59-R173 HydrophobicContact CE1-CG 4.05Å; Y59-R173 HydrophobicContact CE2-CG 4.48Å; R173-I188 HydrophobicContact CB-CB 4.48Å; R173-I188 PolarHBondContact N-O 2.96Å; R173-I188 PolarHBondContact O-N 2.82Å; R173-V190 HydrophobicContact CB-CG2 3.65Å
174V90.8Very high89.4Confident0 Ų079.3 Ų79.30%036%0.364CS..EExtended strand (participates in β ladder)trans-111.7124.6-178.6-169.20000108.2I46 C50 G57 D58 F60 V185 R186 F187I46-V174 HydrophobicContact CG2-CG2 4.07Å; C50-V174 WeakPolarHBondContact SG-CG1 3.17Å; G57-V174 CarbonylContact C-O 3.52Å; G57-V174 VanDerWaalsContact CA-O 3.28Å; G57-V174 WeakPolarHBondContact CA-O 3.41Å; D58-V174 PolarHBondContact N-O 2.92Å; D58-V174 PolarHBondContact O-N 3.41Å; F60-V174 HydrophobicContact CD2-CB 4.42Å; F60-V174 HydrophobicContact CD2-CG2 3.74Å; F60-V174 HydrophobicContact CE2-CB 4.32Å; F60-V174 HydrophobicContact CE2-CG2 4.09Å; V174-V185 HydrophobicContact CG1-CG1 3.28Å; V174-R186 WeakPolarHBondContact CA-O 3.27Å; V174-F187 HydrophobicContact CB-CD1 4.44Å; V174-F187 HydrophobicContact CB-CE1 4.45Å; V174-F187 HydrophobicContact CG1-CD1 4.21Å; V174-F187 HydrophobicContact CG1-CE1 3.96Å; V174-F187 HydrophobicContact CG1-CZ 4.19Å; V174-F187 HydrophobicContact CG2-CD1 3.43Å; V174-F187 VanDerWaalsContact CG2-CD1 3.43Å; V174-F187 HydrophobicContact CG2-CE1 3.56Å; V174-F187 HydrophobicContact CG2-CG 4.35Å
175K87.9Confident89.2Confident73 Ų7380.3 Ų80.332%0.31737%0.37SS..EExtended strand (participates in β ladder)trans-137.3141-178.1-173.3179.4177.3-178.40109.2R186K175-R186 PolarHBondContact N-O 3.48Å; K175-R186 PolarHBondContact O-N 3.11Å
176Q86.8Confident89.1Confident64 Ų6477.1 Ų77.130%0.29935%0.353SS..EExtended strand (participates in β ladder)trans-82.6126.4168.3-71.4177.4-5.200109.4T48 I183 V185T48-Q176 PolarHBondContact O-NE2 3.16Å; Q176-I183 HydrophobicContact CB-CG2 3.96Å; Q176-I183 HydrophobicContact CG-CG2 4.14Å; Q176-V185 HydrophobicContact CG-CG2 4.07Å
177E85.2Confident89.2Confident71 Ų7171.4 Ų71.433%0.33233%0.333SS..EExtended strand (participates in β ladder)trans-116.9131.8173.5-66.5-175.316800108.5R184 R186E177-R184 PolarHBondContact N-O 3.42Å; E177-R184 PolarHBondContact O-N 3.23Å; E177-R186 IonicContact OE1-NH1 3.8Å; E177-R186 WeakPolarHBondContact OE2-CD 3.5Å; E177-R186 IonicContact OE2-CZ 3.65Å; E177-R186 IonicContact OE2-NE 2.63Å; E177-R186 IonicContact OE2-NH1 3.96Å; E177-R186 PolarHBondContact OE2-NH1 3.05Å
178T86.8Confident89.3Confident97 Ų9769.8 Ų69.860%0.59532%0.324SS*.EExtended strand (participates in β ladder)trans-92.2120.2174.1-49.90000109.1E182T178-E182 CarbonylContact C-O 3.57Å; T178-E182 WeakPolarHBondContact CA-O 3.5Å
179Y83.9Confident89.5Confident144 Ų14469.4 Ų69.457%0.56532%0.322SS*.EExtended strand (participates in β ladder)trans-126.1122.3175.4-177.8-99000109.1D181 E182Y179-D181 VanDerWaalsContact C-N 3.28Å; Y179-D181 PolarHBondContact O-N 3.43Å; Y179-E182 PolarHBondContact N-O 3.41Å; Y179-E182 WeakPolarHBondContact O-CB 3.07Å; Y179-E182 PolarHBondContact O-N 3.42Å
180N88.4Confident89.6Confident122 Ų12272.1 Ų72.165%0.65234%0.339SS*.THydrogen-bonded Turntrans49.146.7-175.5-62-14.7000113E182N180-E182 PolarHBondContact O-N 3.31Å; N180-E182 VanDerWaalsContact O-N 3.07Å
181D86.4Confident89.6Confident161 Ų16178.3 Ų78.386%0.86136%0.363SS*.THydrogen-bonded Turntrans64.33.1-176.9-52.9-46.1000115.9Y179Y179-D181 VanDerWaalsContact C-N 3.28Å; Y179-D181 PolarHBondContact O-N 3.43Å
182E88.7Confident89.7Confident104 Ų10473.4 Ų73.449%0.48635%0.346SS..EExtended strand (participates in β ladder)trans-93.6125.3170-65.8-177.2179.800111T178 Y179 N180 R184T178-E182 CarbonylContact C-O 3.57Å; T178-E182 WeakPolarHBondContact CA-O 3.5Å; Y179-E182 PolarHBondContact N-O 3.41Å; Y179-E182 WeakPolarHBondContact O-CB 3.07Å; Y179-E182 PolarHBondContact O-N 3.42Å; N180-E182 PolarHBondContact O-N 3.31Å; N180-E182 VanDerWaalsContact O-N 3.07Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NE 2.74Å; E182-R184 PolarHBondContact OE2-NE 2.82Å; E182-R184 IonicContact OE2-NH2 3.95Å; E182-R184 PolarHBondContact OE2-NH2 2.65Å
183I85.5Confident89.6Confident113 Ų11376.4 Ų76.458%0.57936%0.36SS*.EExtended strand (participates in β ladder)trans-81.7118.5173.2-57.5173000108.3Q176Q176-I183 HydrophobicContact CB-CG2 3.96Å; Q176-I183 HydrophobicContact CG-CG2 4.14Å
184R85.4Confident89.5Confident140 Ų14079.3 Ų79.353%0.52838%0.38SS..EExtended strand (participates in β ladder)trans-121.1135.4177-63.7-177.8-179.2-179.1-1.6110.1E177 E182E177-R184 PolarHBondContact N-O 3.42Å; E177-R184 PolarHBondContact O-N 3.23Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NE 2.74Å; E182-R184 PolarHBondContact OE2-NE 2.82Å; E182-R184 IonicContact OE2-NH2 3.95Å; E182-R184 PolarHBondContact OE2-NH2 2.65Å
185V87.6Confident89.3Confident41 Ų4180.4 Ų80.425%0.24839%0.387CS..EExtended strand (participates in β ladder)trans-81.5126.4175-178.10000108.7T48 V174 Q176 F187T48-V185 HydrophobicContact CG2-CG2 4.11Å; T48-V185 WeakPolarHBondContact O-CG2 3.36Å; V174-V185 HydrophobicContact CG1-CG1 3.28Å; Q176-V185 HydrophobicContact CG-CG2 4.07Å; V185-F187 HydrophobicContact CG1-CD2 4.42Å; V185-F187 HydrophobicContact CG1-CE2 3.82Å; V185-F187 HydrophobicContact CG1-CZ 4.09Å
186R90.2Very high89.1Confident84 Ų8478.7 Ų78.732%0.31738%0.384SS..EExtended strand (participates in β ladder)trans-115.5129.5178.6-169173.9-176.5178.20.5110.6V174 K175 E177 I188V174-R186 WeakPolarHBondContact CA-O 3.27Å; K175-R186 PolarHBondContact N-O 3.48Å; K175-R186 PolarHBondContact O-N 3.11Å; E177-R186 IonicContact OE1-NH1 3.8Å; E177-R186 WeakPolarHBondContact OE2-CD 3.5Å; E177-R186 IonicContact OE2-CZ 3.65Å; E177-R186 IonicContact OE2-NE 2.63Å; E177-R186 IonicContact OE2-NH1 3.96Å; E177-R186 PolarHBondContact OE2-NH1 3.05Å; R186-I188 HydrophobicContact CG-CG1 4.22Å
187F93.1Very high88.6Confident21 Ų2180.5 Ų80.59%0.09240%0.395CS..EExtended strand (participates in β ladder)trans-98.1122.6174.4-62.5-99.1000109.2I46 T125 V127 T128 L172 V174 V185I46-F187 HydrophobicContact CB-CE1 4.41Å; I46-F187 HydrophobicContact CD1-CE1 4.38Å; I46-F187 HydrophobicContact CG2-CE1 3.94Å; I46-F187 HydrophobicContact CG2-CZ 4.46Å; T125-F187 HydrophobicContact CG2-CB 4.34Å; T125-F187 HydrophobicContact CG2-CD1 4.1Å; T125-F187 HydrophobicContact CG2-CD2 3.27Å; T125-F187 HydrophobicContact CG2-CE1 4.24Å; T125-F187 HydrophobicContact CG2-CE2 3.44Å; T125-F187 VanDerWaalsContact CG2-CE2 3.44Å; T125-F187 HydrophobicContact CG2-CG 3.65Å; T125-F187 HydrophobicContact CG2-CZ 3.94Å; V127-F187 WeakPolarHBondContact CA-O 3.25Å; V127-F187 HydrophobicContact CB-CB 4.48Å; V127-F187 HydrophobicContact CG2-CB 3.89Å; T128-F187 PolarHBondContact N-O 3.48Å; L172-F187 HydrophobicContact CD1-CD1 4.14Å; V174-F187 HydrophobicContact CB-CD1 4.44Å; V174-F187 HydrophobicContact CB-CE1 4.45Å; V174-F187 HydrophobicContact CG1-CD1 4.21Å; V174-F187 HydrophobicContact CG1-CE1 3.96Å; V174-F187 HydrophobicContact CG1-CZ 4.19Å; V174-F187 HydrophobicContact CG2-CD1 3.43Å; V174-F187 VanDerWaalsContact CG2-CD1 3.43Å; V174-F187 HydrophobicContact CG2-CE1 3.56Å; V174-F187 HydrophobicContact CG2-CG 4.35Å; V185-F187 HydrophobicContact CG1-CD2 4.42Å; V185-F187 HydrophobicContact CG1-CE2 3.82Å; V185-F187 HydrophobicContact CG1-CZ 4.09Å
188I94.6Very high88.6Confident21 Ų2181.7 Ų81.711%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-119.2125-179.1-62.6173.3000108T128 F130 L172 R173 R186T128-I188 WeakPolarHBondContact O-CA 3.47Å; F130-I188 HydrophobicContact CD2-CG2 4.01Å; F130-I188 HydrophobicContact CE2-CG2 3.55Å; L172-I188 CarbonylContact C-O 3.53Å; L172-I188 WeakPolarHBondContact CA-O 3.49Å; R173-I188 HydrophobicContact CB-CB 4.48Å; R173-I188 PolarHBondContact N-O 2.96Å; R173-I188 PolarHBondContact O-N 2.82Å; R186-I188 HydrophobicContact CG-CG1 4.22Å
189C95.5Very high88.3Confident3 Ų382.4 Ų82.42%0.0241%0.406CS..EExtended strand (participates in β ladder)trans-80.7126.5175.1-171.50000111.4V127 T128 M129 L172 R191 V192V127-C189 HydrophobicContact CG1-CB 3.77Å; T128-C189 PolarHBondContact O-N 3.34Å; M129-C189 HydrophobicContact CE-CB 3.54Å; M129-C189 WeakPolarHBondContact CE-SG 3.15Å; M129-C189 HydrophobicContact SD-CB 3.07Å; M129-C189 WeakPolarHBondContact SD-CB 3.34Å; L172-C189 HydrophobicContact CD2-CB 4.16Å; C189-R191 PolarHBondContact SG-O 3.32Å; C189-V192 WeakPolarHBondContact SG-CG2 3.32Å
190V94.3Very high88.1Confident69 Ų6977 Ų7742%0.41839%0.385SS..EExtended strand (participates in β ladder)trans-97.1-34.6178.2-176.90000110.9Y59 T133 R171 R173Y59-V190 HydrophobicContact CD1-CG2 4.25Å; Y59-V190 HydrophobicContact CE1-CG2 3.92Å; T133-V190 WeakPolarHBondContact CG2-O 3.42Å; R171-V190 PolarHBondContact O-N 3.01Å; R173-V190 HydrophobicContact CB-CG2 3.65Å
191R93.8Very high87.7Confident129 Ų12972.8 Ų72.849%0.48736%0.362SS..EExtended strand (participates in β ladder)trans-150.4141-179.3-171.3175.6177.1162.9-5.6110.3R171 C189 E193R171-R191 HydrophobicContact CB-CB 3.94Å; R171-R191 PolarHBondContact N-O 3.08Å; R171-R191 PolarHBondContact O-N 2.9Å; C189-R191 PolarHBondContact SG-O 3.32Å; R191-E193 HydrophobicContact CG-CG 4.2Å; R191-E193 IonicContact CZ-OE1 3.95Å; R191-E193 IonicContact NE-OE1 3.67Å; R191-E193 PolarHBondContact NE-OE1 2.79Å; R191-E193 IonicContact NH2-OE1 2.95Å; R191-E193 PolarHBondContact NH2-OE1 3.33Å
192V93.8Very high87.5Confident15 Ų1567.3 Ų67.39%0.09134%0.336CS..EExtended strand (participates in β ladder)trans-121.6136.8173.8-173.10000107.6M129 T133 L137 F168 F170 C189M129-V192 HydrophobicContact CE-CG2 3.11Å; T133-V192 HydrophobicContact CG2-CG2 4.47Å; L137-V192 HydrophobicContact CD1-CG1 4.12Å; F168-V192 HydrophobicContact CB-CG1 4.03Å; F168-V192 HydrophobicContact CD1-CG1 3.92Å; F168-V192 HydrophobicContact CG-CG1 4.13Å; F170-V192 HydrophobicContact CD1-CG1 4.35Å; F170-V192 HydrophobicContact CD1-CG2 4.14Å; F170-V192 HydrophobicContact CE1-CG1 4.14Å; F170-V192 HydrophobicContact CE1-CG2 4.32Å; C189-V192 WeakPolarHBondContact SG-CG2 3.32Å
193E91.9Very high86.9Confident63 Ų6363.5 Ų63.529%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-137.6150.3175.1-56.5-174.5142.700110.2L169 R191L169-E193 HydrophobicContact CB-CB 4.4Å; L169-E193 PolarHBondContact N-O 2.82Å; L169-E193 PolarHBondContact O-N 3.31Å; R191-E193 HydrophobicContact CG-CG 4.2Å; R191-E193 IonicContact CZ-OE1 3.95Å; R191-E193 IonicContact NE-OE1 3.67Å; R191-E193 PolarHBondContact NE-OE1 2.79Å; R191-E193 IonicContact NH2-OE1 2.95Å; R191-E193 PolarHBondContact NH2-OE1 3.33Å
194D90.1Very high86.5Confident130 Ų13058.7 Ų58.770%0.69530%0.296SS*.EExtended strand (participates in β ladder)trans-69.8141.7171.1-64.3-44.8000110.4F168 S196F168-D194 WeakPolarHBondContact CD1-OD1 3.45Å; F168-D194 WeakPolarHBondContact CE1-OD1 3.29Å; D194-S196 PolarHBondContact O-N 3.41Å
195V85.6Confident86.2Confident23 Ų2355.6 Ų55.614%0.13929%0.288CS..  trans-79.6118.6175.6-178.90000108.8K63 N167 L169 L197 Y200K63-V195 HydrophobicContact CD-CG1 4.27Å; K63-V195 HydrophobicContact CD-CG2 4.31Å; K63-V195 HydrophobicContact CG-CG2 4.07Å; N167-V195 HydrophobicContact CB-CG2 4.33Å; L169-V195 HydrophobicContact CB-CG2 4.26Å; V195-L197 PolarHBondContact O-N 3.07Å; V195-Y200 HydrophobicContact CG1-CD2 4.43Å; V195-Y200 HydrophobicContact CG1-CG 4.08Å
196S83.2Confident85.7Confident37 Ų3760.3 Ų60.326%0.25931%0.305SS..  trans-77.2112.7169860000108.7Y35 D194 P198 E199 Y200Y35-S196 PolarHBondContact OH-N 2.92Å; Y35-S196 VanDerWaalsContact OH-N 3.11Å; Y35-S196 PolarHBondContact OH-O 2.86Å; Y35-S196 VanDerWaalsContact OH-O 3.06Å; Y35-S196 PolarHBondContact OH-OG 2.82Å; D194-S196 PolarHBondContact O-N 3.41Å; S196-P198 VanDerWaalsContact C-CD 3.48Å; S196-E199 PolarHBondContact O-N 2.76Å; S196-E199 WeakPolarHBondContact OG-CB 3.34Å; S196-E199 WeakPolarHBondContact OG-CG 3.21Å; S196-E199 PolarHBondContact OG-OE2 3.24Å; S196-Y200 VanDerWaalsContact O-CB 3.27Å; S196-Y200 WeakPolarHBondContact O-CB 3.41Å; S196-Y200 PolarHBondContact O-N 2.99Å
197L77.9Confident84.8Confident102 Ų10259 Ų5953%0.53430%0.3SS..Hα-helixtrans-51.9-48.7177.8-67.2175.7000113.4V195 E199 Y200 L201 E236V195-L197 PolarHBondContact O-N 3.07Å; L197-E199 PolarHBondContact O-N 3.31Å; L197-Y200 PolarHBondContact O-N 3.12Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 2.91Å; L197-E236 WeakPolarHBondContact CD2-OE1 3.43Å
198P83.3Confident84Confident97 Ų9760.4 Ų60.463%0.6331%0.308SS*.Hα-helixtrans-66.5-39.8-174.925-34.3000113.2S196 Y200 S202S196-P198 VanDerWaalsContact C-CD 3.48Å; P198-Y200 VanDerWaalsContact C-N 3.28Å; P198-Y200 PolarHBondContact O-N 3.16Å; P198-S202 WeakPolarHBondContact O-CB 3.34Å; P198-S202 PolarHBondContact O-N 3.17Å
199E80.5Confident83.1Confident111 Ų11160.8 Ų60.852%0.51931%0.314SS..Hα-helixtrans-69-35.5176.9-57172.8160.300109.9Y35 S196 L197 S202 C203Y35-E199 HydrophobicContact CE2-CB 3.59Å; Y35-E199 PolarHBondContact OH-OE2 3.44Å; S196-E199 PolarHBondContact O-N 2.76Å; S196-E199 WeakPolarHBondContact OG-CB 3.34Å; S196-E199 WeakPolarHBondContact OG-CG 3.21Å; S196-E199 PolarHBondContact OG-OE2 3.24Å; L197-E199 PolarHBondContact O-N 3.31Å; E199-S202 PolarHBondContact O-N 2.98Å; E199-C203 WeakPolarHBondContact O-CB 3.38Å; E199-C203 PolarHBondContact O-N 3.19Å
200Y79.7Confident82Confident30 Ų3066.5 Ų66.512%0.11834%0.344CS..Hα-helixtrans-70-44.9-175.6-179.9-103.9000110.1L33 Y35 K63 V195 S196 L197 P198 S202 C203 L204 E236L33-Y200 HydrophobicContact CD2-CE2 4.19Å; Y35-Y200 HydrophobicContact CD2-CD2 4.41Å; Y35-Y200 VanDerWaalsContact CE2-CA 3.48Å; Y35-Y200 HydrophobicContact CE2-CD2 4.39Å; K63-Y200 HydrophobicContact CD-CD1 4.35Å; K63-Y200 HydrophobicContact CD-CD2 3.73Å; K63-Y200 HydrophobicContact CD-CE1 3.9Å; K63-Y200 HydrophobicContact CD-CE2 3.22Å; K63-Y200 HydrophobicContact CD-CG 4.26Å; K63-Y200 HydrophobicContact CG-CE2 4.43Å; V195-Y200 HydrophobicContact CG1-CD2 4.43Å; V195-Y200 HydrophobicContact CG1-CG 4.08Å; S196-Y200 VanDerWaalsContact O-CB 3.27Å; S196-Y200 WeakPolarHBondContact O-CB 3.41Å; S196-Y200 PolarHBondContact O-N 2.99Å; L197-Y200 PolarHBondContact O-N 3.12Å; P198-Y200 VanDerWaalsContact C-N 3.28Å; P198-Y200 PolarHBondContact O-N 3.16Å; Y200-S202 PolarHBondContact O-N 3.32Å; Y200-C203 PolarHBondContact O-N 2.87Å; Y200-L204 HydrophobicContact CD1-CD1 3.66Å; Y200-L204 HydrophobicContact CD1-CG 4.28Å; Y200-L204 HydrophobicContact CE1-CD1 3.1Å; Y200-L204 HydrophobicContact CE1-CD2 4.41Å; Y200-L204 HydrophobicContact CE1-CG 3.83Å; Y200-L204 HydrophobicContact CE2-CD1 4.43Å; Y200-L204 HydrophobicContact CE2-CD2 4.48Å; Y200-L204 HydrophobicContact CE2-CG 4.3Å; Y200-L204 WeakPolarHBondContact O-CG 3.23Å; Y200-L204 PolarHBondContact O-N 2.86Å; Y200-E236 HydrophobicContact CD1-CG 4.47Å; Y200-E236 WeakPolarHBondContact CD1-OE1 3.22Å; Y200-E236 HydrophobicContact CE1-CG 4.44Å; Y200-E236 WeakPolarHBondContact CE1-OE1 3.47Å
201L81.7Confident80.6Confident35 Ų3567 Ų6718%0.18334%0.341CS..Hα-helixtrans-58-45.7171.7-68.5175.5000111.6L197 C203 L204 E205 V233 E236L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.37Å; L197-L201 PolarHBondContact O-N 2.91Å; L201-C203 VanDerWaalsContact C-N 3.32Å; L201-C203 PolarHBondContact O-N 2.91Å; L201-L204 PolarHBondContact O-N 3.39Å; L201-E205 WeakPolarHBondContact O-CG 3.47Å; L201-E205 PolarHBondContact O-N 3.07Å; L201-V233 HydrophobicContact CD2-CB 4.41Å; L201-V233 HydrophobicContact CD2-CG1 3.7Å; L201-E236 HydrophobicContact CD2-CG 4.32Å
202S80.9Confident79.4Confident45 Ų4561.6 Ų61.632%0.31532%0.323SS..Hα-helixtrans-61.6-40177.4-172.10000112.6P198 E199 Y200 K206P198-S202 WeakPolarHBondContact O-CB 3.34Å; P198-S202 PolarHBondContact O-N 3.17Å; E199-S202 PolarHBondContact O-N 2.98Å; Y200-S202 PolarHBondContact O-N 3.32Å; S202-K206 WeakPolarHBondContact O-CG 3.47Å; S202-K206 PolarHBondContact O-N 2.88Å; S202-K206 VanDerWaalsContact O-N 3.12Å
203C75.7Confident77.8Confident24 Ų2467.9 Ų67.916%0.16235%0.349CS..Hα-helixtrans-66.2-39.5175.8-790000112.1L33 T34 Y35 E199 Y200 L201 R207L33-C203 HydrophobicContact CD1-CB 4.32Å; T34-C203 PolarHBondContact O-SG 3.15Å; T34-C203 VanDerWaalsContact O-SG 3.33Å; Y35-C203 HydrophobicContact CD2-CB 4.16Å; E199-C203 WeakPolarHBondContact O-CB 3.38Å; E199-C203 PolarHBondContact O-N 3.19Å; Y200-C203 PolarHBondContact O-N 2.87Å; L201-C203 VanDerWaalsContact C-N 3.32Å; L201-C203 PolarHBondContact O-N 2.91Å; C203-R207 PolarHBondContact O-N 2.91Å; C203-R207 VanDerWaalsContact O-N 3.14Å
204L78.5Confident75.9Confident12 Ų1268 Ų686%0.06337%0.367CS..Hα-helixtrans-64.8-45.7174.7-74.3176.4000112Y200 L201 K206 R207 I208 V239Y200-L204 HydrophobicContact CD1-CD1 3.66Å; Y200-L204 HydrophobicContact CD1-CG 4.28Å; Y200-L204 HydrophobicContact CE1-CD1 3.1Å; Y200-L204 HydrophobicContact CE1-CD2 4.41Å; Y200-L204 HydrophobicContact CE1-CG 3.83Å; Y200-L204 HydrophobicContact CE2-CD1 4.43Å; Y200-L204 HydrophobicContact CE2-CD2 4.48Å; Y200-L204 HydrophobicContact CE2-CG 4.3Å; Y200-L204 WeakPolarHBondContact O-CG 3.23Å; Y200-L204 PolarHBondContact O-N 2.86Å; L201-L204 PolarHBondContact O-N 3.39Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 3.26Å; L204-R207 WeakPolarHBondContact O-CA 3.44Å; L204-R207 WeakPolarHBondContact O-CB 3.33Å; L204-R207 PolarHBondContact O-N 3.32Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.26Å; L204-V239 HydrophobicContact CD1-CB 4.35Å; L204-V239 HydrophobicContact CD1-CG1 3.96Å; L204-V239 HydrophobicContact CD1-CG2 4.13Å; L204-V239 HydrophobicContact CD2-CG1 4.26Å
205E78.3Confident73.9Confident76 Ų7666.7 Ų66.736%0.35536%0.359SS..Hα-helixtrans-57.4-44.3177.1-75.1-179.8164.800111.8L201 R207 I208 A209 V233L201-E205 WeakPolarHBondContact O-CG 3.47Å; L201-E205 PolarHBondContact O-N 3.07Å; E205-R207 VanDerWaalsContact C-N 3.28Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-I208 PolarHBondContact O-N 3.03Å; E205-A209 VanDerWaalsContact O-CB 3.26Å; E205-A209 WeakPolarHBondContact O-CB 3.13Å; E205-A209 PolarHBondContact O-N 3.18Å; E205-V233 HydrophobicContact CG-CB 4.3Å; E205-V233 HydrophobicContact CG-CG2 3.95Å; E205-V233 PolarHBondContact OE1-N 2.83Å
206K77.5Confident71.6Confident140 Ų14069.9 Ų69.961%0.60939%0.388SS*.Hα-helixtrans-60.4-39.2175.1-72.4170.1-173168.20111.9S202 L204 L210S202-K206 WeakPolarHBondContact O-CG 3.47Å; S202-K206 PolarHBondContact O-N 2.88Å; S202-K206 VanDerWaalsContact O-N 3.12Å; L204-K206 VanDerWaalsContact C-N 3.32Å; L204-K206 PolarHBondContact O-N 3.26Å; K206-L210 WeakPolarHBondContact O-CB 3.38Å; K206-L210 PolarHBondContact O-N 2.61Å
207R70Confident69.7Low57 Ų5773.3 Ų73.322%0.21540%0.402CS..Hα-helixtrans-70-48.2179.6-176.1168.7-177.7-175.34.4111.4S31 L33 C203 L204 E205 A209 L210 H211S31-R207 PolarHBondContact O-NH2 2.8Å; L33-R207 HydrophobicContact CD1-CB 4.01Å; L33-R207 HydrophobicContact CD1-CG 4.38Å; C203-R207 PolarHBondContact O-N 2.91Å; C203-R207 VanDerWaalsContact O-N 3.14Å; L204-R207 WeakPolarHBondContact O-CA 3.44Å; L204-R207 WeakPolarHBondContact O-CB 3.33Å; L204-R207 PolarHBondContact O-N 3.32Å; E205-R207 VanDerWaalsContact C-N 3.28Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-A209 VanDerWaalsContact C-N 3.3Å; R207-A209 PolarHBondContact O-N 3.13Å; R207-L210 WeakPolarHBondContact O-CB 3.49Å; R207-L210 PolarHBondContact O-N 2.7Å; R207-L210 VanDerWaalsContact O-N 3.12Å; R207-H211 WeakPolarHBondContact CG-NE2 3.36Å; R207-H211 PolarHBondContact NE-NE2 2.81Å; R207-H211 PolarHBondContact O-CD2 3.19Å; R207-H211 PolarHBondContact O-N 3.45Å
208I77.2Confident67.6Low50 Ų5072.7 Ų72.726%0.25641%0.412SS..Hα-helixtrans-56.5-48174.6-65.5167000109.3L204 E205 L210 H211 C212 V233 V239L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 PolarHBondContact O-N 3.26Å; E205-I208 PolarHBondContact O-N 3.03Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.43Å; I208-H211 PolarHBondContact O-N 2.98Å; I208-C212 PolarHBondContact O-N 3.49Å; I208-C212 PolarHBondContact O-SG 3.18Å; I208-V233 HydrophobicContact CD1-CG2 4.19Å; I208-V239 HydrophobicContact CD1-CG1 4.4Å
209A74.9Confident65.4Low28 Ų2871.7 Ų71.723%0.23142%0.42CS..Hα-helixtrans-61.7-35177.700000113.6E205 R207 K213E205-A209 VanDerWaalsContact O-CB 3.26Å; E205-A209 WeakPolarHBondContact O-CB 3.13Å; E205-A209 PolarHBondContact O-N 3.18Å; R207-A209 VanDerWaalsContact C-N 3.3Å; R207-A209 PolarHBondContact O-N 3.13Å; A209-K213 VanDerWaalsContact O-CG 3.26Å; A209-K213 WeakPolarHBondContact O-CG 3.28Å; A209-K213 PolarHBondContact O-N 3.45Å; A209-K213 VanDerWaalsContact O-N 3.13Å
210L72.6Confident63.4Low124 Ų12469.9 Ų69.965%0.64942%0.416SS*.Hα-helixtrans-68.2-42.9175.2-173.269.3000111.4K206 R207 I208 K213 G214K206-L210 WeakPolarHBondContact O-CB 3.38Å; K206-L210 PolarHBondContact O-N 2.61Å; R207-L210 WeakPolarHBondContact O-CB 3.49Å; R207-L210 PolarHBondContact O-N 2.7Å; R207-L210 VanDerWaalsContact O-N 3.12Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 3.43Å; L210-K213 PolarHBondContact O-N 3.22Å; L210-G214 PolarHBondContact O-N 3.11Å
211H66Low61.3Low79 Ų7975 Ų7537%0.36645%0.451SS..Hα-helixtrans-65.6-44.7175.6-70-66.9000111.3R207 I208 K213 G214 I215R207-H211 WeakPolarHBondContact CG-NE2 3.36Å; R207-H211 PolarHBondContact NE-NE2 2.81Å; R207-H211 PolarHBondContact O-CD2 3.19Å; R207-H211 PolarHBondContact O-N 3.45Å; I208-H211 PolarHBondContact O-N 2.98Å; H211-K213 VanDerWaalsContact C-N 3.3Å; H211-K213 PolarHBondContact O-N 2.83Å; H211-G214 PolarHBondContact O-N 2.82Å; H211-I215 WeakPolarHBondContact O-CG1 3.46Å; H211-I215 PolarHBondContact O-N 3.48Å
212C67.4Low59Low16 Ų1678.8 Ų78.811%0.10847%0.471CS..Hα-helixtrans-57.2-40175.6-61.60000112.8I208 G214 I215 C228I208-C212 PolarHBondContact O-N 3.49Å; I208-C212 PolarHBondContact O-SG 3.18Å; C212-G214 PolarHBondContact O-N 3.1Å; C212-I215 PolarHBondContact O-N 3.35Å; C212-C228 HydrophobicContact CB-CB 3.88Å; C212-C228 WeakPolarHBondContact CB-SG 3.42Å; C212-C228 WeakPolarHBondContact SG-CB 3.13Å; C212-C228 CovalentContact SG-SG 2.05Å; C212-C228 PolarHBondContact SG-SG 2.99Å
213K61.9Low56.8Low146 Ų14682.9 Ų82.964%0.63550%0.497SS*.Hα-helixtrans-67.3-25.3178.1-76.3174.3-177.4-179.40113.1A209 L210 H211 I215A209-K213 VanDerWaalsContact O-CG 3.26Å; A209-K213 WeakPolarHBondContact O-CG 3.28Å; A209-K213 PolarHBondContact O-N 3.45Å; A209-K213 VanDerWaalsContact O-N 3.13Å; L210-K213 PolarHBondContact O-N 3.22Å; H211-K213 VanDerWaalsContact C-N 3.3Å; H211-K213 PolarHBondContact O-N 2.83Å; K213-I215 VanDerWaalsContact C-N 3.34Å
214G50.3Low55Low65 Ų6586 Ų8667%0.6752%0.515SS*.Hα-helixtrans-80.3-14.5175.200000113.8L210 H211 C212 A216L210-G214 PolarHBondContact O-N 3.11Å; H211-G214 PolarHBondContact O-N 2.82Å; C212-G214 PolarHBondContact O-N 3.1Å; G214-A216 VanDerWaalsContact C-N 3.34Å; G214-A216 PolarHBondContact O-N 3.01Å
215I48Very low53.3Low103 Ų10388.7 Ų88.753%0.52853%0.534SS..  trans-8481.8177.9-59.2168000108.1H211 C212 K213 I217H211-I215 WeakPolarHBondContact O-CG1 3.46Å; H211-I215 PolarHBondContact O-N 3.48Å; C212-I215 PolarHBondContact O-N 3.35Å; K213-I215 VanDerWaalsContact C-N 3.34Å; I215-I217 HydrophobicContact CG2-CG1 4.36Å; I215-I217 PolarHBondContact O-N 2.8Å
216A38.3Very low51.4Low91 Ų9187.2 Ų87.275%0.75253%0.529SS*.  trans-69.2107.1160.900000107.6G214 A218G214-A216 VanDerWaalsContact C-N 3.34Å; G214-A216 PolarHBondContact O-N 3.01Å; A216-A218 PolarHBondContact O-N 2.83Å
217I42.2Very low49.7Very low108 Ų10883.3 Ų83.355%0.55452%0.518SS*.  trans-66.998.5172.5-49.3173.2000106.9I215 G219 V220I215-I217 HydrophobicContact CG2-CG1 4.36Å; I215-I217 PolarHBondContact O-N 2.8Å; I217-G219 PolarHBondContact O-N 2.9Å; I217-V220 HydrophobicContact CB-CG2 4.17Å; I217-V220 HydrophobicContact CG2-CG2 3.9Å; I217-V220 PolarHBondContact O-N 2.75Å
218A34.1Very low48.3Very low90 Ų9081.5 Ų81.574%0.74451%0.514SS*.THydrogen-bonded Turntrans-62.896.2175.300000109.5A216A216-A218 PolarHBondContact O-N 2.83Å
219G38.3Very low46.4Very low76 Ų7686.1 Ų86.178%0.78453%0.532SS*.THydrogen-bonded Turntrans143.3-9.2179.600000115.3I217I217-G219 PolarHBondContact O-N 2.9Å
220V38.3Very low44.6Very low73 Ų7388.2 Ų88.244%0.44256%0.557SS.*  trans-104.8109.8175.4-174.30000108.5I217 D222 V224I217-V220 HydrophobicContact CB-CG2 4.17Å; I217-V220 HydrophobicContact CG2-CG2 3.9Å; I217-V220 PolarHBondContact O-N 2.75Å; V220-D222 HydrophobicContact CG1-CB 4.47Å; V220-D222 PolarHBondContact O-N 2.82Å; V220-V224 HydrophobicContact CG1-CG2 3.92Å
221T35.7Very low43.1Very low138 Ų13885.5 Ų85.585%0.84755%0.545SS*.  trans-80.83.618044.10000114
222D32.7Very low42Very low114 Ų11489.5 Ų89.561%0.6156%0.561SS**SBendtrans-109.6137.5178.5-61.1-39.4000110.1V220 V224V220-D222 HydrophobicContact CG1-CB 4.47Å; V220-D222 PolarHBondContact O-N 2.82Å; D222-V224 PolarHBondContact O-N 2.84Å
223P35.1Very low40.9Very low131 Ų13189.5 Ų89.585%0.85156%0.561SS**  trans-7083.8174.830.4-32.4000108.3S225P223-S225 PolarHBondContact O-N 3.06Å
224V38.5Very low39.9Very low89 Ų8989.9 Ų89.954%0.53956%0.558SS.*  trans-62.9114.6170.5179.90000106.6V220 D222 N226V220-V224 HydrophobicContact CG1-CG2 3.92Å; D222-V224 PolarHBondContact O-N 2.84Å; V224-N226 PolarHBondContact O-N 2.8Å
225S41.7Very low39.5Very low68 Ų6889.6 Ų89.648%0.47654%0.541SS..  trans-46.311117245.30000109.8P223P223-S225 PolarHBondContact O-N 3.06Å
226N39.1Very low39.4Very low45 Ų4586.4 Ų86.424%0.24152%0.524CS..  trans11.993.8171.1-164.230.8000114V224 C228 K229V224-N226 PolarHBondContact O-N 2.8Å; N226-C228 PolarHBondContact O-N 2.95Å; N226-K229 HydrophobicContact CB-CD 4.48Å; N226-K229 HydrophobicContact CB-CG 4.2Å; N226-K229 WeakPolarHBondContact O-CB 3.35Å; N226-K229 PolarHBondContact O-N 3.5Å
227P40.8Very low39.7Very low59 Ų5991.3 Ų91.338%0.38352%0.523SS..THydrogen-bonded Turntrans-60.2-9.9-169.222.8-33.8000114.4
228C40.9Very low39.5Very low18 Ų1888.7 Ų88.712%0.12251%0.51CS..THydrogen-bonded Turntrans-978.4178.1-59.50000113.3C212 N226 G230C212-C228 HydrophobicContact CB-CB 3.88Å; C212-C228 WeakPolarHBondContact CB-SG 3.42Å; C212-C228 WeakPolarHBondContact SG-CB 3.13Å; C212-C228 CovalentContact SG-SG 2.05Å; C212-C228 PolarHBondContact SG-SG 2.99Å; N226-C228 PolarHBondContact O-N 2.95Å; C228-G230 PolarHBondContact O-N 2.88Å
229K37.3Very low39.9Very low147 Ų14784.7 Ų84.764%0.63948%0.476SS*.THydrogen-bonded Turntrans-69.788.8168.8-87.7-176.7176.2-175.60109.9N226N226-K229 HydrophobicContact CB-CD 4.48Å; N226-K229 HydrophobicContact CB-CG 4.2Å; N226-K229 WeakPolarHBondContact O-CB 3.35Å; N226-K229 PolarHBondContact O-N 3.5Å
230G38Very low39.9Very low73 Ų7385 Ų8575%0.75346%0.457SS*.THydrogen-bonded Turntrans143-12.3173.400000115.2C228 K232C228-G230 PolarHBondContact O-N 2.88Å; G230-K232 PolarHBondContact O-N 2.83Å; G230-K232 VanDerWaalsContact O-N 3.1Å
231V41.2Very low39.5Very low66 Ų6686.1 Ų86.140%0.446%0.458SS..  trans-74.8103.3176.7-1750000108.9V233 M253V231-V233 HydrophobicContact CG1-CG2 4.5Å; V231-M253 HydrophobicContact CG2-CE 4.13Å
232K41.5Very low39.3Very low164 Ų16483.9 Ų83.971%0.71344%0.44SS*.  trans-90113.7165.8-76.4-174.8175.9-179.70108.2G230 R234G230-K232 PolarHBondContact O-N 2.83Å; G230-K232 VanDerWaalsContact O-N 3.1Å; K232-R234 PolarHBondContact O-N 3.17Å; K232-R234 VanDerWaalsContact O-N 3.1Å
233V45.6Very low39.4Very low15 Ų1580.9 Ų80.99%0.09142%0.424CS..  trans-75.5101.7174-178.20000107.7L201 E205 I208 V231 V239L201-V233 HydrophobicContact CD2-CB 4.41Å; L201-V233 HydrophobicContact CD2-CG1 3.7Å; E205-V233 HydrophobicContact CG-CB 4.3Å; E205-V233 HydrophobicContact CG-CG2 3.95Å; E205-V233 PolarHBondContact OE1-N 2.83Å; I208-V233 HydrophobicContact CD1-CG2 4.19Å; V231-V233 HydrophobicContact CG1-CG2 4.5Å; V233-V239 HydrophobicContact CB-CG2 4.41Å; V233-V239 HydrophobicContact CG1-CG2 3.23Å; V233-V239 HydrophobicContact CG2-CG2 4.3Å
234R40.5Very low39.4Very low154 Ų15479 Ų7958%0.58141%0.406SS*.  trans-88.9-17.5178.4-69.6-173.9-176.8174.81.5113.4K232 D261K232-R234 PolarHBondContact O-N 3.17Å; K232-R234 VanDerWaalsContact O-N 3.1Å; R234-D261 IonicContact NH1-OD1 3.7Å
235D41.7Very low38.9Very low60 Ų6081.7 Ų81.732%0.32141%0.406SS..  trans-146.3139.8-174.4-158.4-22.8000111.3R237 L238D235-R237 PolarHBondContact O-N 2.98Å; D235-R237 PolarHBondContact OD1-N 3.1Å; D235-L238 HydrophobicContact CB-CD1 4.13Å; D235-L238 HydrophobicContact CB-CG 4.33Å; D235-L238 PolarHBondContact O-N 3.45Å
236E46.4Very low38.4Very low36 Ų3682.2 Ų82.217%0.16840%0.401CS..Hα-helixtrans-65.8-29.9178.1-68.2-165.3162.500111.6K63 N167 L197 Y200 L201 L238 V239 H240K63-E236 IonicContact NZ-OE1 3.74Å; K63-E236 PolarHBondContact NZ-OE1 3.22Å; K63-E236 IonicContact NZ-OE2 2.82Å; K63-E236 PolarHBondContact NZ-OE2 2.88Å; N167-E236 PolarHBondContact ND2-OE2 3.24Å; L197-E236 WeakPolarHBondContact CD2-OE1 3.43Å; Y200-E236 HydrophobicContact CD1-CG 4.47Å; Y200-E236 WeakPolarHBondContact CD1-OE1 3.22Å; Y200-E236 HydrophobicContact CE1-CG 4.44Å; Y200-E236 WeakPolarHBondContact CE1-OE1 3.47Å; L201-E236 HydrophobicContact CD2-CG 4.32Å; E236-L238 VanDerWaalsContact C-N 3.3Å; E236-L238 PolarHBondContact O-N 3.25Å; E236-V239 WeakPolarHBondContact O-CB 3.44Å; E236-V239 PolarHBondContact O-N 3.33Å; E236-V239 VanDerWaalsContact O-N 3.07Å; E236-H240 PolarHBondContact O-N 3.02Å; E236-H240 VanDerWaalsContact O-N 3.14Å
237R43.9Very low38.1Very low194 Ų19486.3 Ų86.373%0.73242%0.419SS*.Hα-helixtrans-60.9-41178.9-65-178.4-173.6-176.92.8111.7D235 V239 H240 E241D235-R237 PolarHBondContact O-N 2.98Å; D235-R237 PolarHBondContact OD1-N 3.1Å; R237-V239 PolarHBondContact O-N 2.9Å; R237-H240 PolarHBondContact O-N 3.37Å; R237-E241 WeakPolarHBondContact O-CB 3.28Å; R237-E241 PolarHBondContact O-N 2.89Å
238L37.6Very low37.9Very low53 Ų5389.8 Ų89.828%0.27743%0.434SS..Hα-helixtrans-63-30.2176.9-69.5168.8000111.9D235 E236 L242D235-L238 HydrophobicContact CB-CD1 4.13Å; D235-L238 HydrophobicContact CB-CG 4.33Å; D235-L238 PolarHBondContact O-N 3.45Å; E236-L238 VanDerWaalsContact C-N 3.3Å; E236-L238 PolarHBondContact O-N 3.25Å; L238-L242 VanDerWaalsContact O-CB 3.22Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CD1 3.31Å; L238-L242 WeakPolarHBondContact O-CD1 3.44Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.07Å
239V43.5Very low37.4Very low6 Ų692.4 Ų92.44%0.03646%0.464CS..Hα-helixtrans-74.3-42.9177.4-174.10000110.9L204 I208 V233 E236 R237 E241 L242 L243L204-V239 HydrophobicContact CD1-CB 4.35Å; L204-V239 HydrophobicContact CD1-CG1 3.96Å; L204-V239 HydrophobicContact CD1-CG2 4.13Å; L204-V239 HydrophobicContact CD2-CG1 4.26Å; I208-V239 HydrophobicContact CD1-CG1 4.4Å; V233-V239 HydrophobicContact CB-CG2 4.41Å; V233-V239 HydrophobicContact CG1-CG2 3.23Å; V233-V239 HydrophobicContact CG2-CG2 4.3Å; E236-V239 WeakPolarHBondContact O-CB 3.44Å; E236-V239 PolarHBondContact O-N 3.33Å; E236-V239 VanDerWaalsContact O-N 3.07Å; R237-V239 PolarHBondContact O-N 2.9Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-L242 PolarHBondContact O-N 3.25Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CB 3.49Å; V239-L243 WeakPolarHBondContact O-CD1 3.35Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.27Å
240H37.8Very low37Very low82 Ų8287.9 Ų87.938%0.3845%0.454SS..Hα-helixtrans-60.7-43.3171.6-101.4-96.3000111.2F121 E236 R237 L243 I244F121-H240 VanDerWaalsContact CB-CE1 3.49Å; F121-H240 WeakPolarHBondContact CB-CE1 3.45Å; E236-H240 PolarHBondContact O-N 3.02Å; E236-H240 VanDerWaalsContact O-N 3.14Å; R237-H240 PolarHBondContact O-N 3.37Å; H240-L243 PolarHBondContact O-N 3.41Å; H240-I244 WeakPolarHBondContact O-CB 3.42Å; H240-I244 WeakPolarHBondContact O-CD1 3.35Å; H240-I244 WeakPolarHBondContact O-CG1 3.48Å; H240-I244 PolarHBondContact O-N 2.8Å
241E30.4Very low36.6Very low97 Ų9789 Ų8945%0.45345%0.445SS..Hα-helixtrans-65.3-47.3178.3-155.7169.4-170.200111R237 V239 L243 I244 W245R237-E241 WeakPolarHBondContact O-CB 3.28Å; R237-E241 PolarHBondContact O-N 2.89Å; V239-E241 VanDerWaalsContact C-N 3.31Å; E241-L243 VanDerWaalsContact C-N 3.32Å; E241-L243 PolarHBondContact O-N 3.01Å; E241-I244 PolarHBondContact O-N 3.09Å; E241-I244 VanDerWaalsContact O-N 3.11Å; E241-W245 PolarHBondContact O-N 3.24Å
242L31.8Very low36.2Very low90 Ų9092.2 Ų92.247%0.47147%0.465SS..Hα-helixtrans-56-43.4172.9-83.8156.7000112.5L238 V239 W245 E246L238-L242 VanDerWaalsContact O-CB 3.22Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CD1 3.31Å; L238-L242 WeakPolarHBondContact O-CD1 3.44Å; L238-L242 VanDerWaalsContact O-CG 3.26Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.07Å; V239-L242 PolarHBondContact O-N 3.25Å; L242-W245 PolarHBondContact O-N 2.83Å; L242-E246 PolarHBondContact O-N 2.87Å; L242-E246 VanDerWaalsContact O-N 3.08Å
243L34.2Very low35.6Very low52 Ų5288.4 Ų88.427%0.27245%0.451SS..Hα-helixtrans-67.2-36.3177.1-73.5165.2000112.4F28 V239 H240 E241 H247F28-L243 HydrophobicContact CE1-CD2 4.44Å; F28-L243 HydrophobicContact CZ-CD2 4.07Å; V239-L243 HydrophobicContact CG1-CD1 3.99Å; V239-L243 WeakPolarHBondContact O-CB 3.49Å; V239-L243 WeakPolarHBondContact O-CD1 3.35Å; V239-L243 WeakPolarHBondContact O-CG 3.48Å; V239-L243 PolarHBondContact O-N 3.27Å; H240-L243 PolarHBondContact O-N 3.41Å; E241-L243 VanDerWaalsContact C-N 3.32Å; E241-L243 PolarHBondContact O-N 3.01Å; L243-H247 PolarHBondContact O-N 2.78Å
244I34.7Very low34.9Very low92 Ų9291.9 Ų91.947%0.47247%0.474SS..Hα-helixtrans-67.8-40.2174.8-69.5161.4000110.7H240 E241 H247 N248H240-I244 WeakPolarHBondContact O-CB 3.42Å; H240-I244 WeakPolarHBondContact O-CD1 3.35Å; H240-I244 WeakPolarHBondContact O-CG1 3.48Å; H240-I244 PolarHBondContact O-N 2.8Å; E241-I244 PolarHBondContact O-N 3.09Å; E241-I244 VanDerWaalsContact O-N 3.11Å; I244-H247 WeakPolarHBondContact O-CB 3.32Å; I244-H247 PolarHBondContact O-N 2.98Å; I244-N248 PolarHBondContact O-N 2.97Å
245W28.6Very low34.3Very low145 Ų14588.6 Ų88.655%0.54948%0.48SS..Hα-helixtrans-68.5-33.8179.5-78.257.1000112.4E241 L242 N248 G249E241-W245 PolarHBondContact O-N 3.24Å; L242-W245 PolarHBondContact O-N 2.83Å; W245-N248 PolarHBondContact O-N 3.02Å; W245-G249 PolarHBondContact O-N 2.95Å
246E30.4Very low33.6Very low78 Ų7892.1 Ų92.136%0.36449%0.494SS..Hα-helixtrans-65.7-36.9171.5-76.1-172.6165.900112.6L242 N248 G249 V251L242-E246 PolarHBondContact O-N 2.87Å; L242-E246 VanDerWaalsContact O-N 3.08Å; E246-N248 PolarHBondContact O-N 3.14Å; E246-G249 PolarHBondContact O-N 2.92Å; E246-V251 HydrophobicContact CG-CG2 4.08Å
247H33.7Very low32.8Very low132 Ų13297.9 Ų97.961%0.61153%0.526SS*.Hα-helixtrans-63.3-26.3175.2-102.4-75.5000113.2L243 I244L243-H247 PolarHBondContact O-N 2.78Å; I244-H247 WeakPolarHBondContact O-CB 3.32Å; I244-H247 PolarHBondContact O-N 2.98Å
248N35.9Very low32Very low132 Ų13291.5 Ų91.571%0.70652%0.515SS*.THydrogen-bonded Turntrans-94.18.6178.7-69.8-24000114I244 W245 E246 A250I244-N248 PolarHBondContact O-N 2.97Å; W245-N248 PolarHBondContact O-N 3.02Å; E246-N248 PolarHBondContact O-N 3.14Å; N248-A250 VanDerWaalsContact C-N 3.32Å; N248-A250 PolarHBondContact O-N 3.47Å
249G30Very low31.5Very low73 Ų7393.6 Ų93.675%0.75353%0.53SS*.THydrogen-bonded Turntrans72.816169.900000115.7W245 E246W245-G249 PolarHBondContact O-N 2.95Å; E246-G249 PolarHBondContact O-N 2.92Å
250A28.6Very low30.8Very low51 Ų5198.2 Ų98.242%0.42155%0.553SS.*  trans-121.3101.7177.700000110.8N248N248-A250 VanDerWaalsContact C-N 3.32Å; N248-A250 PolarHBondContact O-N 3.47Å
251V31.3Very low30.2Very low96 Ų96100.5 Ų100.558%0.58257%0.568SS**  trans-103.9102.9169.2-178.70000108.1E246 M253E246-V251 HydrophobicContact CG-CG2 4.08Å; V251-M253 HydrophobicContact CG1-CG 3.92Å
252V31.8Very low30.1Very low134 Ų134101.2 Ų101.281%0.81258%0.575SS**  trans-110.1101.3163.9-178.80000106.2
253M30Very low29.9Very low85 Ų85102.2 Ų102.242%0.41959%0.586SS.*PPolyproline II helixtrans-79.4134174.1-72.3-161.868.100109.7V231 V251V231-M253 HydrophobicContact CG2-CE 4.13Å; V251-M253 HydrophobicContact CG1-CG 3.92Å
254P29.9Very low29.6Very low88 Ų88109.1 Ų109.157%0.57161%0.614SS**PPolyproline II helixtrans-65.8141.6170.227.8-31.9000109.9A258P254-A258 HydrophobicContact CB-CB 3.64Å; P254-A258 HydrophobicContact CG-CB 4.15Å
255A27.4Very low29.4Very low85 Ų85111.4 Ų111.470%0.70263%0.632SS**PPolyproline II helixtrans-57.8153.1178.700000112N257 A258A255-N257 PolarHBondContact O-N 2.68Å; A255-A258 PolarHBondContact O-N 3.08Å
256E27.5Very low29.4Very low133 Ų133109.3 Ų109.362%0.62164%0.64SS**THydrogen-bonded Turntrans-44.3114.5175-71.7178.9147.800110
257N29.1Very low29.4Very low157 Ų157113.7 Ų113.784%0.8466%0.66SS**THydrogen-bonded Turntrans106.813.5179.7-53-38.6000119.1A255 V259A255-N257 PolarHBondContact O-N 2.68Å; N257-V259 PolarHBondContact O-N 3.4Å
258A27.3Very low29.3Very low61 Ų61113.1 Ų113.150%0.50467%0.666SS.*  trans-69.397.2169.300000112.3P254 A255 I260P254-A258 HydrophobicContact CB-CB 3.64Å; P254-A258 HydrophobicContact CG-CB 4.15Å; A255-A258 PolarHBondContact O-N 3.08Å; A258-I260 PolarHBondContact O-N 2.79Å
259V27.5Very low28.9Very low96 Ų96115 Ų11558%0.58268%0.676SS**  trans-79.5106.3162.8-179.10000107N257 D261N257-V259 PolarHBondContact O-N 3.4Å; V259-D261 WeakPolarHBondContact CG1-OD1 3.3Å; V259-D261 PolarHBondContact O-N 3.24Å
260I28.1Very low28.9Very low104 Ų104116 Ų11653%0.53366%0.664SS.*  trans-8096.1165.5-55.6175.5000106.2A258 L262A258-I260 PolarHBondContact O-N 2.79Å; I260-L262 HydrophobicContact CG2-CG 4.31Å; I260-L262 PolarHBondContact O-N 3.12Å
261D26.1Very low29Very low130 Ų130118.8 Ų118.870%0.69568%0.678SS**  trans-77.8109.1169.2-83.2-27.8000108.8R234 V259R234-D261 IonicContact NH1-OD1 3.7Å; V259-D261 WeakPolarHBondContact CG1-OD1 3.3Å; V259-D261 PolarHBondContact O-N 3.24Å
262L28.4Very low29Very low112 Ų112123.5 Ų123.559%0.58669%0.691SS**  trans-93142.3166-73.7165.2000108.7I260 K264I260-L262 HydrophobicContact CG2-CG 4.31Å; I260-L262 PolarHBondContact O-N 3.12Å; L262-K264 PolarHBondContact O-N 3.01Å
263P27.5Very low28.8Very low110 Ų110126.5 Ų126.571%0.71469%0.688SS**  trans-58.5135.8-177.323.5-32.2000110.6T265P263-T265 PolarHBondContact O-N 3.21Å
264K27.3Very low28.7Very low198 Ų198129.6 Ų129.686%0.86170%0.704SS**  trans-61.2108.9174.1-70.1178.1-179.5175.30108.9L262 S266L262-K264 PolarHBondContact O-N 3.01Å; K264-S266 PolarHBondContact O-N 3.27Å
265T30.4Very low28.5Very low139 Ų139130.2 Ų130.285%0.85372%0.717SS**  trans-76.469.8170.247.10000109.8P263P263-T265 PolarHBondContact O-N 3.21Å
266S29.9Very low28.3Very low101 Ų101129.6 Ų129.671%0.70671%0.708SS**  trans-1030.8168.456.50000113.6K264K264-S266 PolarHBondContact O-N 3.27Å
267E29.5Very low28.3Very low170 Ų170135 Ų13579%0.79472%0.723SS**SBendtrans-141.6109.1175-65.9-179.917400107.1
268V30.7Very low28.2Very low121 Ų121133.9 Ų133.973%0.73371%0.712SS**  trans156.697.4154.1169.50000107.7D270V268-D270 PolarHBondContact O-N 3.05Å; V268-D270 VanDerWaalsContact O-N 3.08Å
269N28.7Very low28.2Very low171 Ų171137.3 Ų137.391%0.91473%0.727SS**  trans-75.472.5166.2-78.4-27.8000109.3
270D29.2Very low28.2Very low93 Ų93140.2 Ų140.250%0.49773%0.734SS.*  trans-172115.6157.7-121.8-32000112V268 F272V268-D270 PolarHBondContact O-N 3.05Å; V268-D270 VanDerWaalsContact O-N 3.08Å; D270-F272 PolarHBondContact O-N 3.2Å
271P31Very low28.1Very low110 Ų110142.4 Ų142.471%0.71475%0.747SS**THydrogen-bonded Turntrans-74.21.3179.828-31.1000114.5
272F31.7Very low28.2Very low195 Ų195142.2 Ų142.286%0.85576%0.756SS**THydrogen-bonded Turntrans-100.41.6-175.8-75.8-81.1000115.6D270D270-F272 PolarHBondContact O-N 3.2Å
273R26.8Very low28.2Very low198 Ų198141.9 Ų141.975%0.74776%0.763SS**  trans-106.47.1-169.1-118.9-178.3-180-169.50.4117.6A275R273-A275 PolarHBondContact O-N 3.45Å
274I29Very low28.1Very low149 Ų149145 Ų14576%0.76477%0.766SS**  trans-85.9-6.7-166.5-62.2174.8000114.2S276I274-S276 PolarHBondContact O-N 3.07Å
275A25.8Very low28.1Very low101 Ų101141.7 Ų141.784%0.83576%0.764SS**SBendtrans-99.459.4179.800000113.2R273R273-A275 PolarHBondContact O-N 3.45Å
276S23.7Very low27.8Very low73 Ų73142.5 Ų142.551%0.5176%0.762SS.*  trans-179.397.6155.844.40000111.6I274I274-S276 PolarHBondContact O-N 3.07Å
277W26.4Very low27.7Very low247 Ų247142.6 Ų142.694%0.93677%0.769SS**  trans-135.2110.8161.1-91.385.9000109.9
278Q28Very low27.4Very low132 Ų132143.4 Ų143.462%0.61777%0.773SS**  trans-73136.9169.7-70.2169.2-79.800109E280Q278-E280 PolarHBondContact O-N 2.85Å
279T26.3Very low27.1Very low134 Ų134143.3 Ų143.382%0.82278%0.776SS**  trans-76.8100.6172.345.90000109.7
280E27.2Very low27.1Very low156 Ų156144.3 Ų144.373%0.72978%0.775SS**  trans-122.4120.6164.3-79-174.7-178.900109.9Q278Q278-E280 PolarHBondContact O-N 2.85Å
281N25.7Very low27Very low151 Ų151146 Ų14681%0.80779%0.789SS**  trans63.495.3147.1-58.8-32.5000119.6
282S29.1Very low27Very low126 Ų126146.5 Ų146.588%0.88179%0.792SS**  trans-152.7127138.963.70000111.8
283S29.2Very low26.7Very low104 Ų104144.6 Ų144.673%0.72779%0.791SS**  trans-107.2139.2-161.9200000113.5
284F23.8Very low26.9Very low177 Ų177138.7 Ų138.778%0.77679%0.791SS**  trans62.1161.7147.9-76.8-73.4000120.4L286F284-L286 HydrophobicContact CD1-CD1 4.17Å; F284-L286 HydrophobicContact CD1-CG 4.47Å; F284-L286 HydrophobicContact CE1-CD1 4.11Å; F284-L286 HydrophobicContact CE1-CG 4.42Å
285P27.9Very low26.9Very low127 Ų127138.4 Ų138.483%0.82580%0.801SS**  cis-135.6169.226.337.9-16.1000119.7
286L23.7Very low27.1Very low156 Ų156136.6 Ų136.682%0.81779%0.792SS**  trans-62.6151.7-176.6-73.7123.8000117.7F284F284-L286 HydrophobicContact CD1-CD1 4.17Å; F284-L286 HydrophobicContact CD1-CG 4.47Å; F284-L286 HydrophobicContact CE1-CD1 4.11Å; F284-L286 HydrophobicContact CE1-CG 4.42Å
287A27.4Very low27.4Very low103 Ų103140.4 Ų140.485%0.85181%0.807SS**  trans-149.5142.4143.700000111.6
288Q24.2Very low27.4Very low188 Ų188135.7 Ų135.788%0.87980%0.8SS**  trans-65.8150.6-158.7-67.5154.5-35.500117.9
289C24.7Very low27.4Very low118 Ų118136.3 Ų136.380%0.79781%0.813SS**  179.6120.7114.8-95.30000114.5
290E27.5Very low27.3Very low192 Ų192137.2 Ų137.290%0.89781%0.812SS**  trans50.2124.6147.1-59.3-178.1168.700123.3
291V28.7Very low27.3Very low130 Ų130138.1 Ų138.179%0.78882%0.82SS**  trans-104.2160.3175.3-154.80000109.7
292P29.1Very low27.1Very low119 Ų119139 Ų13977%0.77382%0.82SS**  -134.2122.2124.928-11.9000114.5
293D26.8Very low27.1Very low156 Ų156139.1 Ų139.183%0.83482%0.821SS**  trans31.9114.3146.8-55.5-21.8000121.7
294G30.7Very low26.9Very low73 Ų73138.4 Ų138.475%0.75382%0.816SS**  trans160.798.9152.900000115.8
295C28.9Very low27Very low144 Ų144136.6 Ų136.697%0.97382%0.819SS**  trans48124.9160.7-690000118.5
296G29.6Very low26.7Very low63 Ų63140.6 Ų140.665%0.64982%0.817SS**  cis129.610529.400000108.6
297D31Very low26.9Very low152 Ų152140.4 Ų140.481%0.81382%0.817SS**  trans60.4108.4148.7-46.4-21.7000119.5
298D25.9Very low26.7Very low149 Ų149143 Ų14380%0.79782%0.816SS**  75.2118.779.9-83.7-19.2000114.9
299V29Very low26.9Very low145 Ų145142.4 Ų142.488%0.87981%0.813SS**  trans-168118.9130.4173.80000110.4
300L23Very low26.9Very low153 Ų153142 Ų14280%0.80181%0.81SS**  trans-83.9156.7167.9-82.8149.4000112
301L27.2Very low26.8Very low174 Ų174138.8 Ų138.891%0.91180%0.804SS**  trans-175.4130.3136.8-99.3156.5000114.1
302E22.1Very low26.5Very low169 Ų169141 Ų14179%0.7981%0.808SS**  trans-88.3156.7174.4-67.1177.9130.600113.2
303S29.2Very low26.4Very low129 Ų129143.6 Ų143.690%0.90282%0.815SS**  trans-168.4147.5140.450.50000113
304S23.7Very low26.4Very low90 Ų90140.4 Ų140.463%0.62981%0.809SS**  trans-115144.8-170.445.90000112.2
305V26.4Very low26.1Very low138 Ų138142.1 Ų142.184%0.83682%0.817SS**  trans-145130.8170.9-178.20000111.3
306R23Very low26Very low211 Ų211139.6 Ų139.680%0.79681%0.806SS**  trans-86.4141.5172.3-88175.2157.4157.9-4.3110.9
307L27.4Very low25.9Very low153 Ų153142.4 Ų142.480%0.80182%0.816SS**  trans-139.193.8168.3-84161.7000110.7
308D22.8Very low25.6Very low156 Ų156141.3 Ų141.383%0.83482%0.815SS**  trans-81.9148.8138.3-74.1-46.2000106.6
309E27.4Very low25.6Very low177 Ų177139.8 Ų139.883%0.82782%0.815SS**  trans90.2140.5-180-53.4-174.6155.100118.1
310C25.9Very low25.4Very low109 Ų109139.6 Ų139.674%0.73681%0.809SS**  trans83.598.4162.9-70.10000118.5
311T24.3Very low25.6Very low124 Ų124137.3 Ų137.376%0.76181%0.805SS**  45.2118.9100.633.20000115.1
312M23.7Very low25.5Very low178 Ų178136.1 Ų136.188%0.87780%0.799SS**  trans23.4104.5152.7-75.6-16952.400116
313L27.3Very low25.8Very low173 Ų173134.3 Ų134.391%0.90680%0.8SS**  trans-171.2137.7137.3-97.9147.9000110.9
314A26.4Very low25.7Very low88 Ų88133.9 Ų133.973%0.72779%0.792SS**  trans15.7126.8157.800000120.6A316A314-A316 PolarHBondContact O-N 2.92Å
315A23.9Very low26Very low109 Ų109135.2 Ų135.290%0.90180%0.798SS**  trans-11114.3149.900000116.7
316A26.2Very low26.2Very low91 Ų91132.9 Ų132.975%0.75279%0.793SS**  trans-140.4103151.900000107.6A314 V318A314-A316 PolarHBondContact O-N 2.92Å; A316-V318 PolarHBondContact O-N 2.75Å
317S27.4Very low26.4Very low122 Ų122134.1 Ų134.185%0.85380%0.799SS**  trans-75.3112.3170.648.80000108.9
318V25.4Very low26.5Very low130 Ų130131.1 Ų131.179%0.78880%0.797SS**  trans-92.5113.8166.51790000107.3A316A316-V318 PolarHBondContact O-N 2.75Å
319S26.6Very low26.8Very low116 Ų116130.7 Ų130.781%0.81180%0.795SS**  trans-88118.1173.543.50000109.5
320L25Very low26.8Very low141 Ų141133.2 Ų133.274%0.73880%0.796SS**  trans-100.1113.4169.6-136.496.6000108.6
321S26.2Very low27Very low105 Ų105135.9 Ų135.973%0.73480%0.803SS**  trans-87.1108.7174.157.10000110
322L26.4Very low27.2Very low149 Ų149140.7 Ų140.778%0.7881%0.808SS**  trans-94.6114168-89.8148.5000109.2
323T26.6Very low27.5Very low132 Ų132138 Ų13881%0.8181%0.807SS**  trans-89.7106.8172-46.10000108.7
324V28.6Very low27.5Very low120 Ų120135.5 Ų135.573%0.72780%0.798SS**  trans-90.8128.2171.7-173.30000108A326V324-A326 PolarHBondContact O-N 3.45Å
325P28.6Very low27.4Very low117 Ų117137.8 Ų137.876%0.7680%0.803SS**  trans-66.7117.4-176.124.7-31.2000110.8Y327P325-Y327 PolarHBondContact O-N 3.27Å
326A30.6Very low27.6Very low89 Ų89137.9 Ų137.974%0.73679%0.792SS**  trans-73.2112.9172.500000109.7V324V324-A326 PolarHBondContact O-N 3.45Å
327Y28.2Very low27.4Very low237 Ų237141.5 Ų141.593%0.92979%0.794SS**  trans-88.6111.7165.4-136-95.3000108.7P325P325-Y327 PolarHBondContact O-N 3.27Å
328A29Very low27.5Very low90 Ų90141.1 Ų141.174%0.74479%0.786SS**SBendtrans63.864.516300000118.7
329D28.7Very low27.6Very low148 Ų148142.9 Ų142.979%0.79179%0.787SS**SBend-160.6148.1124.2-145.1-14.3000111.1
330R28.7Very low27.8Very low229 Ų229145.9 Ų145.986%0.86479%0.788SS**SBendtrans-63.9136-161-64.1171.8-179.2-178.4-0.2114.3
331N30Very low28.1Very low165 Ų165142.1 Ų142.188%0.88278%0.783SS**SBendtrans60.954.2154.2-73.6-1.9000119.5
332R28.4Very low28.1Very low226 Ų226148.7 Ų148.785%0.85379%0.792SS**  trans-137.1110.6162.1-69.4-172.3-180-175.11.2113
333S29.3Very low28.3Very low122 Ų122152.8 Ų152.885%0.85380%0.799SS**  trans-83.3125.8157.654.10000108.6
334V27.7Very low28.4Very low120 Ų120158 Ų15873%0.72782%0.821SS**  trans-110.7116.8171.2-179.70000108.1V336V334-V336 HydrophobicContact CG1-CG2 4.14Å
335T24.7Very low28.4Very low135 Ų135160 Ų16083%0.82883%0.826SS**  trans-82.5121167.217.80000108.6
336V27.2Very low28.4Very low111 Ų111162.2 Ų162.267%0.67383%0.829SS**  trans-105.3113.1172.8-178.10000108.1V334 V338V334-V336 HydrophobicContact CG1-CG2 4.14Å; V336-V338 HydrophobicContact CG1-CG2 4.44Å
337E23.2Very low28.3Very low168 Ų168166.3 Ų166.379%0.78583%0.834SS**  trans-84.2116.9167.7-73.1-172157.100109M339E337-M339 PolarHBondContact O-N 2.85Å
338V29Very low28.3Very low113 Ų113162.1 Ų162.169%0.68583%0.829SS**  trans-89101.5171.6-177.90000108.6V336 H340V336-V338 HydrophobicContact CG1-CG2 4.44Å; V338-H340 PolarHBondContact O-N 3.27Å
339M26.4Very low28.2Very low167 Ų167166.6 Ų166.682%0.82383%0.834SS**  trans-72.8114.9167.9-72-154.6-174.800109.8E337 G341E337-M339 PolarHBondContact O-N 2.85Å; M339-G341 PolarHBondContact O-N 3.46Å; M339-G341 VanDerWaalsContact O-N 3.13Å
340H30.5Very low28.2Very low179 Ų179167.9 Ų167.983%0.82984%0.837SS**  trans-74.396.4167.3-75.674.2000109.4V338V338-H340 PolarHBondContact O-N 3.27Å
341G32.5Very low28.2Very low62 Ų62163.5 Ų163.564%0.63984%0.835SS**  trans-84.8110.8170.100000111.1M339 Y343M339-G341 PolarHBondContact O-N 3.46Å; M339-G341 VanDerWaalsContact O-N 3.13Å; G341-Y343 PolarHBondContact O-N 2.88Å
342R26.4Very low28Very low244 Ų244163.4 Ų163.492%0.92183%0.831SS**  trans-60.6123.3172.5-68.4176.9178178.3-1.8110.5
343Y30.8Very low28Very low234 Ų234158.2 Ų158.292%0.91883%0.829SS**  trans-95.7116.7156.3-77.7-88.9000107.8G341G341-Y343 PolarHBondContact O-N 2.88Å
344L28.1Very low27.9Very low243 Ų243161.5 Ų161.5100%1.27283%0.827SS**  trans-70.30167.8-83.2167.1000110.9

Retrieved 344 of 344 residues in 370.3 ms (Link to these results)