A0A077ZFR9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFR9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M24.3Very low27.8Very low185 Ų18575.4 Ų75.491%0.91140%0.404SS*.  0105.50-150.1172.4174.100106M28M1-M28 HydrophobicContact CE-CE 3.38Å
2S26.1Very low27.5Very low90 Ų9081.4 Ų81.463%0.62943%0.434SS*.  trans-97.6118.9-175.2-630000109.1F4S2-F4 VanDerWaalsContact CB-CE2 3.49Å; S2-F4 WeakPolarHBondContact O-CD2 3.5Å; S2-F4 WeakPolarHBondContact O-CE2 3.33Å
3L25.8Very low27Very low85 Ų8583.2 Ų83.245%0.44546%0.457SS..  trans-86.8124.3176.7-87.8138.5000109.1L32 Y66L3-L32 HydrophobicContact CD2-CD1 4.33Å; L3-Y66 HydrophobicContact CD2-CD1 3.43Å; L3-Y66 VanDerWaalsContact CD2-CD1 3.43Å; L3-Y66 HydrophobicContact CD2-CE1 3.53Å
4F29.5Very low26.6Very low22 Ų2284.2 Ų84.210%0.09648%0.481CS..  trans-116.3139.3173.7-55.5-100.8000109S2 W67 Q117 L118 E119S2-F4 VanDerWaalsContact CB-CE2 3.49Å; S2-F4 WeakPolarHBondContact O-CD2 3.5Å; S2-F4 WeakPolarHBondContact O-CE2 3.33Å; F4-W67 HydrophobicContact CB-CZ2 4.16Å; F4-W67 VanDerWaalsContact CB-NE1 3.33Å; F4-W67 AromaticContact CD2-NE1 3.45Å; F4-W67 HydrophobicContact CG-CZ2 4.46Å; F4-W67 AromaticContact CG-NE1 3.61Å; F4-Q117 HydrophobicContact CD1-CG 3.84Å; F4-Q117 HydrophobicContact CE1-CG 4.35Å; F4-L118 WeakPolarHBondContact CD1-O 3.41Å; F4-E119 HydrophobicContact CE1-CB 4.13Å; F4-E119 HydrophobicContact CE1-CG 4.17Å
5G27.7Very low26.3Very low3 Ų392.7 Ų92.73%0.03150%0.502CS..EExtended strand (participates in β ladder)trans-104.2147.6174.600000110.8E116G5-E116 VanDerWaalsContact O-O 3.05Å
6L33.1Very low26Very low32 Ų3292.1 Ų92.117%0.16851%0.514CS..EExtended strand (participates in β ladder)trans-119.9132.2-174.4-106.8166.1000112.3W67 V115 E116L6-W67 HydrophobicContact CD1-CD2 4.18Å; L6-W67 HydrophobicContact CD1-CE3 3.43Å; L6-W67 VanDerWaalsContact CD1-CE3 3.43Å; L6-W67 HydrophobicContact CD1-CH2 4.23Å; L6-W67 HydrophobicContact CD1-CZ3 3.43Å; L6-W67 VanDerWaalsContact CD1-CZ3 3.43Å; L6-W67 HydrophobicContact CG-CE3 4.45Å; L6-W67 HydrophobicContact CG-CZ3 4.16Å; L6-V115 HydrophobicContact CD1-CG1 3.98Å; L6-V115 HydrophobicContact CD1-CG2 4.37Å; L6-V115 HydrophobicContact CD2-CB 3.6Å; L6-V115 HydrophobicContact CD2-CG1 3.36Å; L6-V115 HydrophobicContact CD2-CG2 3.98Å; L6-V115 HydrophobicContact CG-CG1 4.01Å; L6-E116 WeakPolarHBondContact CA-O 3.32Å; L6-E116 WeakPolarHBondContact CD2-O 2.82Å; L6-E116 WeakPolarHBondContact CG-O 3.47Å
7R32.3Very low25.8Very low20 Ų2094.4 Ų94.48%0.07552%0.52CS..  trans-117.3132.9169.2-165.1-176.7-85.6-178.5-4.8110H9 L48 L51 H60 E116R7-H9 WeakPolarHBondContact CD-NE2 3.43Å; R7-L48 PolarHBondContact NH2-O 3.17Å; R7-L51 PolarHBondContact NH1-O 2.78Å; R7-H60 PolarHBondContact NE-CE1 3.16Å; R7-E116 HydrophobicContact CB-CB 4.31Å; R7-E116 VanDerWaalsContact CB-OE2 3.24Å; R7-E116 WeakPolarHBondContact CB-OE2 2.94Å; R7-E116 WeakPolarHBondContact O-CB 3.37Å
8Y30.6Very low25.6Very low89 Ų8997.7 Ų97.735%0.34952%0.523SS..  trans-94122.2175.3179.1-101.3000109.7L86Y8-L86 WeakPolarHBondContact CE1-O 3.43Å; Y8-L86 VanDerWaalsContact CZ-O 3.31Å
9H29.5Very low25.4Very low62 Ų6293.7 Ų93.729%0.28751%0.508SS..  trans-116.6112167.9-87.4-89.4000108.8R7 Q11R7-H9 WeakPolarHBondContact CD-NE2 3.43Å; H9-Q11 PolarHBondContact O-N 3.4Å
10G24.5Very low25.3Very low58 Ų5890.9 Ų90.960%0.59850%0.498SS*.  trans-82.591.2172.900000111.4
11Q22.7Very low25.2Very low183 Ų18387.4 Ų87.486%0.85548%0.483SS*.  trans-157.1129.7151.1-135179.2-0.700110.4H9H9-Q11 PolarHBondContact O-N 3.4Å
12I23.6Very low25.3Very low148 Ų14879.1 Ų79.176%0.75944%0.444SS*.  trans-82.6114-177.3-60.6170.6000109.1
13S21.5Very low25.3Very low105 Ų10576.1 Ų76.173%0.73443%0.425SS*.  trans177.6139.9145.6-174.50000111.6
14A21.1Very low25.3Very low97 Ų9773.4 Ų73.480%0.80241%0.41SS*.  trans78.1142.1163.700000120.8
15R22.4Very low25.3Very low211 Ų21173.2 Ų73.280%0.79641%0.412SS*.  trans-76.4145.3-163.2-67169.5173.2170.6-4114.8
16A22.1Very low25.2Very low84 Ų8476 Ų7669%0.69444%0.435SS*.  trans-170.2153.1138.900000111.4
17H21.6Very low25Very low131 Ų13178.5 Ų78.561%0.60645%0.451SS*.  trans-92.8166-164.5-84.9-105.2000116
18W21.9Very low24.9Very low153 Ų15380 Ų8058%0.5846%0.46SS*.  trans101.7134.6157.8-64.485.9000120.3C130 C156 D158W18-C130 PolarHBondContact O-SG 3.31Å; W18-C156 VanDerWaalsContact C-CB 3.45Å; W18-D158 WeakPolarHBondContact CH2-OD1 3.4Å; W18-D158 VanDerWaalsContact CZ2-OD1 3.32Å; W18-D158 WeakPolarHBondContact CZ2-OD1 2.9Å
19G22.9Very low25Very low23 Ų2382 Ų8224%0.23747%0.468CS..  trans84.5109.5173.200000120.1R132 C156G19-R132 PolarHBondContact O-NE 3.34Å; G19-R132 PolarHBondContact O-NH2 3.12Å; G19-C156 VanDerWaalsContact CA-CB 3.42Å; G19-C156 PolarHBondContact N-O 3.07Å; G19-C156 PolarHBondContact O-SG 3.13Å; G19-C156 VanDerWaalsContact O-SG 3.34Å
20A22.2Very low25Very low37 Ų3782 Ų8231%0.30648%0.478SS..  trans-107.7155.6173.400000111.6R132 D154 C156A20-R132 PolarHBondContact O-NH2 3.17Å; A20-D154 WeakPolarHBondContact CB-O 3.21Å; A20-C156 HydrophobicContact CB-CB 4.13Å
21G24.1Very low25.2Very low17 Ų1784 Ų8418%0.17548%0.478CS..  trans168.9148.7-169.700000116.2S76 R132G21-S76 VanDerWaalsContact C-OG 3.27Å; G21-S76 VanDerWaalsContact O-CB 3.23Å; G21-S76 WeakPolarHBondContact O-CB 3.47Å; G21-S76 PolarHBondContact O-OG 2.77Å; G21-R132 PolarHBondContact O-NH1 3.01Å
22A26.1Very low25.6Very low12 Ų1278.3 Ų78.310%0.09945%0.454CS..EExtended strand (participates in β ladder)trans-108.9149.4-161.400000113.4W67 D68 V73A22-W67 WeakPolarHBondContact O-CB 2.83Å; A22-D68 PolarHBondContact O-N 3.43Å; A22-D68 VanDerWaalsContact O-N 3.17Å; A22-D68 VanDerWaalsContact O-O 3.04Å; A22-V73 HydrophobicContact CB-CG2 4.43Å
23A26.6Very low26.1Very low27 Ų2775.7 Ų75.722%0.22345%0.449CS..EExtended strand (participates in β ladder)trans-89.4154.5-178.100000113.1V77 I78 M82A23-V77 WeakPolarHBondContact CB-O 3.36Å; A23-V77 PolarHBondContact N-O 3.48Å; A23-I78 HydrophobicContact CB-CG2 3.78Å; A23-M82 HydrophobicContact CB-SD 4.48Å
24I26.2Very low26.6Very low27 Ų2774.6 Ų74.614%0.13845%0.446CS..  trans-121.6146.9177.3-70-159.1000112.5M28 D68 F143I24-M28 HydrophobicContact CG2-SD 4.36Å; I24-D68 HydrophobicContact CB-CB 4.36Å; I24-D68 HydrophobicContact CD1-CB 3.16Å; I24-D68 WeakPolarHBondContact CD1-OD2 3.45Å; I24-D68 HydrophobicContact CG1-CB 3.6Å; I24-F143 HydrophobicContact CD1-CD1 4.06Å; I24-F143 HydrophobicContact CD1-CE1 3.9Å; I24-F143 HydrophobicContact CG2-CD1 4.38Å; I24-F143 HydrophobicContact CG2-CE1 3.56Å; I24-F143 HydrophobicContact CG2-CZ 4.27Å
25S28.6Very low27.2Very low19 Ų1974.1 Ų74.113%0.13344%0.437CS..  trans-63161.4-174.3175.80000116.5T27 M28 P142S25-T27 PolarHBondContact O-N 3.31Å; S25-M28 PolarHBondContact O-N 3.26Å; S25-P142 WeakPolarHBondContact OG-CB 3.25Å
26A26Very low28Very low62 Ų6271.3 Ų71.351%0.51244%0.438SS..THydrogen-bonded Turntrans-51.7-12.4-17300000117.5M28 Y29A26-M28 VanDerWaalsContact C-N 3.32Å; A26-M28 PolarHBondContact O-N 3.32Å; A26-Y29 PolarHBondContact O-N 2.64Å
27T28.5Very low28.9Very low84 Ų8468.7 Ų68.752%0.51542%0.416SS..THydrogen-bonded Turntrans-70.6-26-178.8-17.80000113.2S25 Y29 A30S25-T27 PolarHBondContact O-N 3.31Å; T27-Y29 VanDerWaalsContact C-N 3.29Å; T27-Y29 PolarHBondContact O-N 3.43Å; T27-A30 WeakPolarHBondContact O-CB 3.25Å; T27-A30 PolarHBondContact O-N 3.43Å
28M30.9Very low29.8Very low51 Ų5167.7 Ų67.725%0.25142%0.419SS..Hα-helixtrans-74.6-19.6-179.1-149.6170.7171.300113.1M1 I24 S25 A26 A30 T31 L32M1-M28 HydrophobicContact CE-CE 3.38Å; I24-M28 HydrophobicContact CG2-SD 4.36Å; S25-M28 PolarHBondContact O-N 3.26Å; A26-M28 VanDerWaalsContact C-N 3.32Å; A26-M28 PolarHBondContact O-N 3.32Å; M28-A30 VanDerWaalsContact C-N 3.25Å; M28-A30 PolarHBondContact O-N 3.43Å; M28-T31 PolarHBondContact O-N 3.47Å; M28-L32 PolarHBondContact O-N 2.89Å
29Y31.8Very low30.6Very low132 Ų13264.8 Ų64.852%0.51842%0.418SS..Hα-helixtrans-65.4-30.2171.8-126.1-85.8000112A26 T27 S33 Y66A26-Y29 PolarHBondContact O-N 2.64Å; T27-Y29 VanDerWaalsContact C-N 3.29Å; T27-Y29 PolarHBondContact O-N 3.43Å; Y29-S33 PolarHBondContact O-N 3.09Å; Y29-Y66 HydrophobicContact CD2-CD2 4.43Å; Y29-Y66 HydrophobicContact CE2-CD2 4.1Å; Y29-Y66 HydrophobicContact CE2-CE2 4Å
30A29.3Very low31.5Very low61 Ų6169.1 Ų69.150%0.50444%0.436SS..Hα-helixtrans-70.7-37.1176.600000111.4T27 M28 S33T27-A30 WeakPolarHBondContact O-CB 3.25Å; T27-A30 PolarHBondContact O-N 3.43Å; M28-A30 VanDerWaalsContact C-N 3.25Å; M28-A30 PolarHBondContact O-N 3.43Å; A30-S33 PolarHBondContact O-N 3.42Å; A30-S33 PolarHBondContact O-OG 3.34Å
31T29.9Very low32.4Very low99 Ų9974 Ų7461%0.60745%0.447SS*.Hα-helixtrans-75.3-36.5-178.8-26.10000112.6M28 S33 A34M28-T31 PolarHBondContact O-N 3.47Å; T31-S33 PolarHBondContact O-N 3.12Å; T31-A34 PolarHBondContact O-N 2.72Å; T31-A34 VanDerWaalsContact O-N 3.13Å
32L31Very low33.4Very low64 Ų6477.4 Ų77.434%0.33546%0.458SS..Hα-helixtrans-66.3-20.5172-84.6161.9000113.1L3 M28 A34 A37 Y66L3-L32 HydrophobicContact CD2-CD1 4.33Å; M28-L32 PolarHBondContact O-N 2.89Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A37 WeakPolarHBondContact O-CB 3.31Å; L32-Y66 HydrophobicContact CD1-CE1 4.35Å; L32-Y66 HydrophobicContact CD1-CE2 4.3Å
33S32.7Very low34.3Very low94 Ų9482.7 Ų82.766%0.65748%0.481SS*.THydrogen-bonded Turntrans-78.6-11173.573.20000114.1Y29 A30 T31Y29-S33 PolarHBondContact O-N 3.09Å; A30-S33 PolarHBondContact O-N 3.42Å; A30-S33 PolarHBondContact O-OG 3.34Å; T31-S33 PolarHBondContact O-N 3.12Å
34A32.9Very low35Very low82 Ų8283.8 Ų83.868%0.67848%0.48SS*.SBendtrans-100.5-13.7-168.500000115.7T31 L32T31-A34 PolarHBondContact O-N 2.72Å; T31-A34 VanDerWaalsContact O-N 3.13Å; L32-A34 VanDerWaalsContact C-N 3.3Å
35S34Very low35.8Very low86 Ų8685.7 Ų85.760%0.60149%0.488SS*.SBendtrans-128.1109.8-178.155.90000112.7A37S35-A37 VanDerWaalsContact O-CA 3.29Å; S35-A37 WeakPolarHBondContact O-CA 2.86Å; S35-A37 PolarHBondContact O-N 3.31Å
36D38.9Very low36.6Very low153 Ų15388.6 Ų88.682%0.81850%0.502SS*.SBendtrans30.941.9170.2-80.6-26.1000116.3T38D36-T38 VanDerWaalsContact C-N 3.28Å; D36-T38 PolarHBondContact O-N 3.36Å
37A41.1Very low37.3Very low29 Ų2987.5 Ų87.524%0.2449%0.49CS..Hα-helixtrans-77.5-14.6-16200000112.7L32 S35 R41L32-A37 WeakPolarHBondContact O-CB 3.31Å; S35-A37 VanDerWaalsContact O-CA 3.29Å; S35-A37 WeakPolarHBondContact O-CA 2.86Å; S35-A37 PolarHBondContact O-N 3.31Å; A37-R41 WeakPolarHBondContact O-CA 2.91Å; A37-R41 WeakPolarHBondContact O-CB 3.07Å; A37-R41 PolarHBondContact O-N 2.95Å
38T40Very low37.7Very low109 Ų10984.2 Ų84.267%0.66947%0.469SS*.Hα-helixtrans-66.8-45.6-172.237.70000112.7D36 Q42D36-T38 VanDerWaalsContact C-N 3.28Å; D36-T38 PolarHBondContact O-N 3.36Å; T38-Q42 VanDerWaalsContact O-CB 3.24Å; T38-Q42 WeakPolarHBondContact O-CB 3.12Å; T38-Q42 PolarHBondContact O-N 2.94Å
39T38.3Very low38.1Very low92 Ų9289.1 Ų89.156%0.56449%0.485SS*.Hα-helixtrans-72.4-45.4-177.6-43.50000111.7Q42 Q43T39-Q42 PolarHBondContact O-N 3.17Å; T39-Q43 PolarHBondContact O-N 3.15Å
40N41.4Very low38.4Very low114 Ų11485.9 Ų85.961%0.6148%0.482SS*.Hα-helixtrans-67.3-39.7178-77.1-19.7000111.9Q42 F44N40-Q42 VanDerWaalsContact C-N 3.35Å; N40-F44 WeakPolarHBondContact O-CB 3.29Å; N40-F44 PolarHBondContact O-N 2.94Å
41R41.6Very low38.6Very low141 Ų14184.8 Ų84.853%0.53247%0.467SS..Hα-helixtrans-66.4-36.4174.8-173.3178.2177.6-159.5-1.5111.8A37 K45A37-R41 WeakPolarHBondContact O-CA 2.91Å; A37-R41 WeakPolarHBondContact O-CB 3.07Å; A37-R41 PolarHBondContact O-N 2.95Å; R41-K45 HydrophobicContact CG-CD 4.29Å; R41-K45 VanDerWaalsContact O-CB 3.3Å; R41-K45 WeakPolarHBondContact O-CB 2.99Å; R41-K45 WeakPolarHBondContact O-CG 3.22Å; R41-K45 PolarHBondContact O-N 3.22Å
42Q46.2Very low38.6Very low87 Ų8781.2 Ų81.241%0.40745%0.448SS..Hα-helixtrans-74.7-41.9179.4-164.162.127.800112.2T38 T39 N40 F44 K45 N46T38-Q42 VanDerWaalsContact O-CB 3.24Å; T38-Q42 WeakPolarHBondContact O-CB 3.12Å; T38-Q42 PolarHBondContact O-N 2.94Å; T39-Q42 PolarHBondContact O-N 3.17Å; N40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; Q42-K45 PolarHBondContact O-N 3.29Å; Q42-N46 PolarHBondContact NE2-OD1 3.09Å; Q42-N46 WeakPolarHBondContact O-CB 3.36Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-ND2 2.9Å
43Q43.7Very low38.6Very low124 Ų12482.8 Ų82.858%0.57946%0.464SS*.Hα-helixtrans-60.7-44.7172.5-81.5-177.4-19.900111.3T39 N46 S47T39-Q43 PolarHBondContact O-N 3.15Å; Q43-N46 PolarHBondContact O-N 3.21Å; Q43-S47 PolarHBondContact O-N 3.25Å; Q43-S47 PolarHBondContact O-OG 2.87Å
44F42.2Very low38.4Very low49 Ų4988.6 Ų88.622%0.21547%0.471CS..Hα-helixtrans-62.5-45.9177.2-172.4-104.3000112.5N40 Q42 N46 S47 L48N40-F44 WeakPolarHBondContact O-CB 3.29Å; N40-F44 PolarHBondContact O-N 2.94Å; Q42-F44 VanDerWaalsContact C-N 3.34Å; F44-N46 VanDerWaalsContact C-N 3.32Å; F44-N46 PolarHBondContact O-N 2.94Å; F44-S47 PolarHBondContact O-N 2.88Å; F44-L48 HydrophobicContact CD1-CD1 3.83Å; F44-L48 HydrophobicContact CD1-CG 4.5Å; F44-L48 HydrophobicContact CE1-CD1 3.51Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CZ-CD1 4.16Å; F44-L48 WeakPolarHBondContact O-CG 3.32Å; F44-L48 PolarHBondContact O-N 2.98Å
45K42.4Very low38Very low68 Ų6887.8 Ų87.830%0.29646%0.46SS..Hα-helixtrans-59.6-39.3174-79.4175.2176.3-175.40112.9R41 Q42 L48 R49R41-K45 HydrophobicContact CG-CD 4.29Å; R41-K45 VanDerWaalsContact O-CB 3.3Å; R41-K45 WeakPolarHBondContact O-CB 2.99Å; R41-K45 WeakPolarHBondContact O-CG 3.22Å; R41-K45 PolarHBondContact O-N 3.22Å; Q42-K45 PolarHBondContact O-N 3.29Å; K45-L48 PolarHBondContact O-N 3.09Å; K45-R49 PolarHBondContact O-N 2.88Å
46N45.8Very low37.5Very low80 Ų8092.4 Ų92.443%0.42847%0.472SS..Hα-helixtrans-67.8-41.1178.6-72.1-13000111.4Q42 Q43 F44 R49 S50Q42-N46 PolarHBondContact NE2-OD1 3.09Å; Q42-N46 WeakPolarHBondContact O-CB 3.36Å; Q42-N46 PolarHBondContact O-N 3.08Å; Q42-N46 PolarHBondContact O-ND2 2.9Å; Q43-N46 PolarHBondContact O-N 3.21Å; F44-N46 VanDerWaalsContact C-N 3.32Å; F44-N46 PolarHBondContact O-N 2.94Å; N46-R49 PolarHBondContact O-N 2.76Å; N46-S50 PolarHBondContact O-N 3.09Å
47S41.6Very low36.8Very low39 Ų3990.9 Ų90.927%0.27347%0.474SS..Hα-helixtrans-60.1-46.5173.9-66.20000111.7Q43 F44 R49 S50 L51Q43-S47 PolarHBondContact O-N 3.25Å; Q43-S47 PolarHBondContact O-OG 2.87Å; F44-S47 PolarHBondContact O-N 2.88Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 2.9Å; S47-S50 PolarHBondContact O-N 3.43Å; S47-S50 PolarHBondContact O-OG 3.49Å; S47-L51 PolarHBondContact O-N 3.02Å; S47-L51 VanDerWaalsContact O-N 3.1Å
48L36.7Very low35.8Very low14 Ų1492.1 Ų92.17%0.07348%0.484CS..Hα-helixtrans-60.2-38.8176-74.3174.4000112.9R7 F44 K45 L51 A52 L118R7-L48 PolarHBondContact NH2-O 3.17Å; F44-L48 HydrophobicContact CD1-CD1 3.83Å; F44-L48 HydrophobicContact CD1-CG 4.5Å; F44-L48 HydrophobicContact CE1-CD1 3.51Å; F44-L48 HydrophobicContact CE1-CG 4.27Å; F44-L48 HydrophobicContact CZ-CD1 4.16Å; F44-L48 WeakPolarHBondContact O-CG 3.32Å; F44-L48 PolarHBondContact O-N 2.98Å; K45-L48 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.01Å; L48-A52 PolarHBondContact O-N 3.04Å; L48-L118 HydrophobicContact CD2-CD1 3.72Å
49R38.5Very low34.9Very low155 Ų15598.2 Ų98.259%0.58550%0.496SS*.Hα-helixtrans-65.8-40.3174.6-81-175.5-162.31562.4112.8K45 N46 S47 L51 A52 S53K45-R49 PolarHBondContact O-N 2.88Å; N46-R49 PolarHBondContact O-N 2.76Å; S47-R49 VanDerWaalsContact C-N 3.34Å; S47-R49 PolarHBondContact O-N 2.9Å; R49-L51 VanDerWaalsContact C-N 3.28Å; R49-L51 PolarHBondContact O-N 3.18Å; R49-A52 WeakPolarHBondContact O-CA 2.95Å; R49-A52 VanDerWaalsContact O-CB 3.26Å; R49-A52 WeakPolarHBondContact O-CB 3.42Å; R49-A52 PolarHBondContact O-N 2.84Å; R49-S53 PolarHBondContact O-N 2.86Å
50S38.5Very low34.2Very low64 Ų6497.8 Ų97.845%0.44849%0.488SS..Hα-helixtrans-64.4-36.1177.487.30000111.8N46 S47 S53N46-S50 PolarHBondContact O-N 3.09Å; S47-S50 PolarHBondContact O-N 3.43Å; S47-S50 PolarHBondContact O-OG 3.49Å; S50-S53 PolarHBondContact O-N 3.45Å; S50-S53 PolarHBondContact O-OG 3.46Å
51L34.3Very low33.5Very low38 Ų38103.4 Ų103.420%0.19950%0.501CS..Hα-helixtrans-69-32.8170.9-87.9138000112.1R7 S47 L48 R49 R54 L118 I125R7-L51 PolarHBondContact NH1-O 2.78Å; S47-L51 PolarHBondContact O-N 3.02Å; S47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 PolarHBondContact O-N 3.01Å; R49-L51 VanDerWaalsContact C-N 3.28Å; R49-L51 PolarHBondContact O-N 3.18Å; L51-R54 PolarHBondContact O-N 3.36Å; L51-L118 HydrophobicContact CD1-CD2 4.14Å; L51-L118 HydrophobicContact CD2-CD2 4.26Å; L51-I125 HydrophobicContact CD1-CG2 4.09Å
52A30Very low33.1Very low24 Ų24101.8 Ų101.820%0.19850%0.499CS..Hα-helixtrans-62.9-43.2172.900000112.8L48 R49 R54 C55L48-A52 PolarHBondContact O-N 3.04Å; R49-A52 WeakPolarHBondContact O-CA 2.95Å; R49-A52 VanDerWaalsContact O-CB 3.26Å; R49-A52 WeakPolarHBondContact O-CB 3.42Å; R49-A52 PolarHBondContact O-N 2.84Å; A52-R54 PolarHBondContact O-N 3.06Å; A52-C55 PolarHBondContact O-N 3.13Å
53S30.2Very low32.8Very low96 Ų9699.9 Ų99.967%0.67150%0.495SS*.THydrogen-bonded Turntrans-68.4-14.7-179.356.50000114.2R49 S50R49-S53 PolarHBondContact O-N 2.86Å; S50-S53 PolarHBondContact O-N 3.45Å; S50-S53 PolarHBondContact O-OG 3.46Å
54R28.4Very low32.9Very low216 Ų21696.5 Ų96.582%0.81548%0.481SS*.THydrogen-bonded Turntrans-91-10.1-180-73.5-177.5168.2-157.2-3.1114L51 A52L51-R54 PolarHBondContact O-N 3.36Å; A52-R54 PolarHBondContact O-N 3.06Å
55C25.1Very low33.2Very low66 Ų6695.2 Ų95.245%0.44648%0.477SS..SBendtrans-111.594.5176.4-61.50000107.9A52 S57A52-C55 PolarHBondContact O-N 3.13Å; C55-S57 PolarHBondContact O-N 2.94Å
56E23.4Very low33.4Very low183 Ų18394.5 Ų94.586%0.85547%0.472SS*.  trans-60.4130.6176.4-79.3-178.414800111.1
57S22.8Very low33.6Very low121 Ų12191.9 Ų91.985%0.84646%0.456SS*.  trans6080.5160.241.20000118.1C55C55-S57 PolarHBondContact O-N 2.94Å
58A21Very low33.7Very low55 Ų5592.4 Ų92.446%0.45546%0.456SS..  trans-149.2134.7145.400000109.4H60A58-H60 PolarHBondContact O-N 3.31Å
59Y21.2Very low34.3Very low237 Ų23797.6 Ų97.693%0.92948%0.48SS*.  trans-53.3118.8180-85.4-100.9000111W61Y59-W61 PolarHBondContact O-N 2.96Å
60H24.2Very low34.6Very low83 Ų8392.8 Ų92.838%0.38447%0.466SS..  trans-87.3102.6-167.4-122.9-73.1000110.9R7 A58R7-H60 PolarHBondContact NE-CE1 3.16Å; A58-H60 PolarHBondContact O-N 3.31Å
61W25.7Very low35Very low232 Ų23297.5 Ų97.588%0.87948%0.481SS*.  trans-98.492.2158.3-73.996.8000107.8Y59 S63Y59-W61 PolarHBondContact O-N 2.96Å; W61-S63 PolarHBondContact O-N 3.41Å
62Q34Very low35.5Very low106 Ų10698 Ų9850%0.49550%0.495SS..  trans-85.999.1-171.3-141.7171.727.700109.4
63S39Very low36.3Very low47 Ų4798.2 Ų98.233%0.32949%0.494SS..  trans-114.1100.3174-46.10000109W61 L65W61-S63 PolarHBondContact O-N 3.41Å; S63-L65 PolarHBondContact O-N 2.95Å
64D46.8Very low37.2Very low53 Ų5394.2 Ų94.228%0.28347%0.466SS..  trans-66.7102.2175.7-66.4-31.9000109.1
65L47Very low38.3Very low23 Ų2384.7 Ų84.712%0.1243%0.43CS..EExtended strand (participates in β ladder)trans-96.2126.5176.4-89.7135.6000109.9S63 M82 P85 L86S63-L65 PolarHBondContact O-N 2.95Å; L65-M82 HydrophobicContact CD2-CB 3.95Å; L65-M82 HydrophobicContact CD2-CE 3.4Å; L65-M82 VanDerWaalsContact CD2-CE 3.4Å; L65-M82 HydrophobicContact CD2-CG 3.71Å; L65-M82 HydrophobicContact CD2-SD 3.35Å; L65-M82 WeakPolarHBondContact CD2-SD 3.49Å; L65-M82 HydrophobicContact CG-CE 4.49Å; L65-P85 HydrophobicContact CD1-CB 4.31Å; L65-L86 HydrophobicContact CD1-CD2 3.96Å; L65-L86 HydrophobicContact CD1-CG 4.39Å
66Y46.3Very low40Very low52 Ų5282 Ų8220%0.20441%0.412CS..EExtended strand (participates in β ladder)trans-98.3142.3176.3-68.1-76.9000110.7L3 Y29 L32L3-Y66 HydrophobicContact CD2-CD1 3.43Å; L3-Y66 VanDerWaalsContact CD2-CD1 3.43Å; L3-Y66 HydrophobicContact CD2-CE1 3.53Å; Y29-Y66 HydrophobicContact CD2-CD2 4.43Å; Y29-Y66 HydrophobicContact CE2-CD2 4.1Å; Y29-Y66 HydrophobicContact CE2-CE2 4Å; L32-Y66 HydrophobicContact CD1-CE1 4.35Å; L32-Y66 HydrophobicContact CD1-CE2 4.3Å
67W50.3Low41.8Very low25 Ų2573.9 Ų73.910%0.09538%0.375CS..EExtended strand (participates in β ladder)trans-133.2163.4-177.176.65.8000111.8F4 L6 A22 V115 Q117 R132F4-W67 HydrophobicContact CB-CZ2 4.16Å; F4-W67 VanDerWaalsContact CB-NE1 3.33Å; F4-W67 AromaticContact CD2-NE1 3.45Å; F4-W67 HydrophobicContact CG-CZ2 4.46Å; F4-W67 AromaticContact CG-NE1 3.61Å; L6-W67 HydrophobicContact CD1-CD2 4.18Å; L6-W67 HydrophobicContact CD1-CE3 3.43Å; L6-W67 VanDerWaalsContact CD1-CE3 3.43Å; L6-W67 HydrophobicContact CD1-CH2 4.23Å; L6-W67 HydrophobicContact CD1-CZ3 3.43Å; L6-W67 VanDerWaalsContact CD1-CZ3 3.43Å; L6-W67 HydrophobicContact CG-CE3 4.45Å; L6-W67 HydrophobicContact CG-CZ3 4.16Å; A22-W67 WeakPolarHBondContact O-CB 2.83Å; W67-V115 HydrophobicContact CE3-CG1 4.44Å; W67-V115 HydrophobicContact CH2-CG1 3.32Å; W67-V115 HydrophobicContact CZ3-CB 4.49Å; W67-V115 HydrophobicContact CZ3-CG1 3.19Å; W67-Q117 HydrophobicContact CH2-CB 4.08Å; W67-Q117 HydrophobicContact CH2-CG 4.16Å; W67-Q117 HydrophobicContact CZ2-CB 4.15Å; W67-Q117 HydrophobicContact CZ2-CG 3.74Å; W67-R132 VanDerWaalsContact CE3-NH1 3.31Å; W67-R132 VanDerWaalsContact CH2-CZ 3.4Å; W67-R132 VanDerWaalsContact CH2-NH2 3.33Å; W67-R132 VanDerWaalsContact CZ3-CZ 3.42Å
68D44Very low43.7Very low50 Ų5068.4 Ų68.427%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-134135.4179.8-118.3-10.5000108.7A22 I24 D70A22-D68 PolarHBondContact O-N 3.43Å; A22-D68 VanDerWaalsContact O-N 3.17Å; A22-D68 VanDerWaalsContact O-O 3.04Å; I24-D68 HydrophobicContact CB-CB 4.36Å; I24-D68 HydrophobicContact CD1-CB 3.16Å; I24-D68 WeakPolarHBondContact CD1-OD2 3.45Å; I24-D68 HydrophobicContact CG1-CB 3.6Å; D68-D70 PolarHBondContact O-N 2.95Å
69Q49.6Very low45.5Very low123 Ų12366.9 Ų66.958%0.57532%0.32SS*.  trans-86.9112.1-175-172.7171.58.300110H71Q69-H71 PolarHBondContact NE2-CE1 3Å; Q69-H71 VanDerWaalsContact NE2-CE1 3.32Å; Q69-H71 PolarHBondContact NE2-NE2 3.41Å
70D45.5Very low47.4Very low55 Ų5559.8 Ų59.829%0.29430%0.295SS..  trans-114.1121167.7-179.815.7000110.2D68 G72 V73 W145D68-D70 PolarHBondContact O-N 2.95Å; D70-G72 VanDerWaalsContact C-N 3.26Å; D70-G72 PolarHBondContact O-N 3.15Å; D70-G72 PolarHBondContact OD1-N 2.81Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 WeakPolarHBondContact O-CG2 3.24Å; D70-W145 HydrophobicContact CB-CE3 4.13Å; D70-W145 HydrophobicContact CB-CH2 4.31Å; D70-W145 HydrophobicContact CB-CZ3 3.58Å; D70-W145 WeakPolarHBondContact OD2-CZ3 3.46Å
71H46.2Very low49.2Very low162 Ų16260.8 Ų60.875%0.7530%0.304SS*.THydrogen-bonded Turntrans-78.8-9.6178.9-66.9-91.6000112.8Q69Q69-H71 PolarHBondContact NE2-CE1 3Å; Q69-H71 VanDerWaalsContact NE2-CE1 3.32Å; Q69-H71 PolarHBondContact NE2-NE2 3.41Å
72G43.9Very low50.8Low49 Ų4951.1 Ų51.151%0.50527%0.268SS..THydrogen-bonded Turntrans-85.4-10.2178.300000115.1D70 T147D70-G72 VanDerWaalsContact C-N 3.26Å; D70-G72 PolarHBondContact O-N 3.15Å; D70-G72 PolarHBondContact OD1-N 2.81Å; G72-T147 WeakPolarHBondContact O-CG2 3.43Å
73V47.1Very low51.8Low28 Ų2847.3 Ų47.317%0.1725%0.25CC..  trans-97.2143.4-178-75.20000113.5A22 D70 W145A22-V73 HydrophobicContact CB-CG2 4.43Å; D70-V73 HydrophobicContact CB-CG2 4.04Å; D70-V73 WeakPolarHBondContact O-CG2 3.24Å; V73-W145 HydrophobicContact CG1-CB 3.55Å; V73-W145 HydrophobicContact CG1-CD2 4.22Å; V73-W145 HydrophobicContact CG1-CE3 3.65Å; V73-W145 HydrophobicContact CG1-CG 4.25Å
74C49.2Very low52.6Low13 Ų1350.6 Ų50.69%0.08826%0.263CS..SBendtrans-87.4-20173.1-69.90000113.3F146 T147 H148 G153 D154C74-F146 PolarHBondContact N-O 3.41Å; C74-T147 VanDerWaalsContact SG-CA 3.52Å; C74-H148 HydrophobicContact CB-CB 4.2Å; C74-H148 VanDerWaalsContact CB-N 3.3Å; C74-H148 PolarHBondContact SG-N 3.26Å; C74-G153 VanDerWaalsContact CA-CA 3.49Å; C74-G153 VanDerWaalsContact CB-CA 3.46Å; C74-G153 WeakPolarHBondContact O-CA 3.3Å; C74-D154 PolarHBondContact O-N 2.79Å
75Y51.8Low52.7Low16 Ų1650.4 Ų50.46%0.06327%0.265CS..SBendtrans-133.2145.7-172.9-66.9-70.5000112.5P95 L97 I135 F146 H148 D154Y75-P95 HydrophobicContact CE1-CG 4.49Å; Y75-P95 HydrophobicContact CE2-CG 4.42Å; Y75-L97 HydrophobicContact CD2-CD2 3.45Å; Y75-L97 VanDerWaalsContact CD2-CD2 3.45Å; Y75-L97 HydrophobicContact CE2-CD2 3.33Å; Y75-L97 HydrophobicContact CG-CD2 4.44Å; Y75-I135 HydrophobicContact CD1-CD1 3.68Å; Y75-I135 HydrophobicContact CD1-CG1 4.29Å; Y75-I135 HydrophobicContact CD2-CD1 3.79Å; Y75-I135 HydrophobicContact CE1-CD1 4.35Å; Y75-I135 HydrophobicContact CE2-CD1 4.42Å; Y75-I135 HydrophobicContact CG-CD1 3.36Å; Y75-I135 HydrophobicContact CG-CG1 4.2Å; Y75-F146 HydrophobicContact CD2-CB 4.35Å; Y75-H148 HydrophobicContact CE2-CB 4.04Å; Y75-H148 PolarHBondContact OH-CD2 3.14Å; Y75-D154 WeakPolarHBondContact CE1-OD2 3.32Å
76S62Low53Low8 Ų850.1 Ų50.16%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-76.8125.1169.5-52.40000108.6G21 V134 I135G21-S76 VanDerWaalsContact C-OG 3.27Å; G21-S76 VanDerWaalsContact O-CB 3.23Å; G21-S76 WeakPolarHBondContact O-CB 3.47Å; G21-S76 PolarHBondContact O-OG 2.77Å; S76-V134 CarbonylContact O-C 3.47Å; S76-V134 WeakPolarHBondContact O-CA 3.12Å; S76-I135 PolarHBondContact O-N 3.1Å
77V59.8Low53.4Low13 Ų1350.2 Ų50.28%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-108.2138.7179.2-176.40000109.3A23 I135 W137 F144 F146A23-V77 WeakPolarHBondContact CB-O 3.36Å; A23-V77 PolarHBondContact N-O 3.48Å; V77-I135 WeakPolarHBondContact CA-O 3.35Å; V77-W137 HydrophobicContact CG1-CB 4.12Å; V77-F144 HydrophobicContact CG1-CE2 3.85Å; V77-F144 HydrophobicContact CG1-CZ 3.77Å; V77-F146 HydrophobicContact CG1-CE2 4.44Å; V77-F146 HydrophobicContact CG2-CD2 3.51Å; V77-F146 HydrophobicContact CG2-CE2 3.83Å
78I62.3Low53.6Low7 Ų752.2 Ų52.24%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-126.3147.9168.766.5171.5000109.5A23 W83 L86 V134 I135 I136 W137A23-I78 HydrophobicContact CB-CG2 3.78Å; I78-W83 HydrophobicContact CD1-CE3 3.97Å; I78-L86 HydrophobicContact CD1-CD1 3.37Å; I78-V134 HydrophobicContact CD1-CB 4.38Å; I78-V134 HydrophobicContact CD1-CG2 3.95Å; I78-V134 HydrophobicContact CG1-CB 4.33Å; I78-V134 HydrophobicContact CG1-CG2 4.4Å; I78-V134 HydrophobicContact CG2-CB 4.1Å; I78-V134 HydrophobicContact CG2-CG1 3.96Å; I78-I135 PolarHBondContact N-O 2.98Å; I78-I136 HydrophobicContact CD1-CG1 4.05Å; I78-I136 HydrophobicContact CG1-CB 4.48Å; I78-I136 HydrophobicContact CG1-CG1 4.01Å; I78-W137 PolarHBondContact O-N 2.71Å; I78-W137 VanDerWaalsContact O-N 3.08Å
79I60.4Low54.3Low23 Ų2350.6 Ų50.612%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-80.5147.9172.656.2170000109.9N81 M82 W137I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 WeakPolarHBondContact CD1-OD1 3.34Å; I79-N81 WeakPolarHBondContact CG1-OD1 3.43Å; I79-N81 PolarHBondContact O-N 2.97Å; I79-N81 VanDerWaalsContact O-N 3.15Å; I79-M82 HydrophobicContact CD1-CG 4.23Å; I79-M82 HydrophobicContact CD1-SD 4.3Å; I79-M82 HydrophobicContact CG1-CB 4.23Å; I79-M82 HydrophobicContact CG1-CG 3.67Å; I79-M82 HydrophobicContact CG1-SD 3.73Å; I79-M82 WeakPolarHBondContact O-CB 3.47Å; I79-M82 PolarHBondContact O-N 2.77Å; I79-W137 HydrophobicContact CB-CE3 4.5Å; I79-W137 HydrophobicContact CG2-CE3 3.81Å; I79-W137 HydrophobicContact CG2-CZ3 3.65Å
80E60.5Low54.8Low87 Ų8751.9 Ų51.941%0.40730%0.3SS..G310 helixtrans-54.6-36.7-174.1-174.1-177.1-149.600114M82 W83 L108 I136 W137 M138E80-M82 PolarHBondContact O-N 3.14Å; E80-W83 WeakPolarHBondContact O-CB 3.35Å; E80-W83 PolarHBondContact O-N 2.65Å; E80-L108 HydrophobicContact CG-CD1 4.32Å; E80-I136 HydrophobicContact CB-CG2 4.31Å; E80-W137 PolarHBondContact N-O 3.05Å; E80-M138 HydrophobicContact CB-CG 4.41Å; E80-M138 WeakPolarHBondContact OE2-CE 3.11Å; E80-M138 VanDerWaalsContact OE2-CG 3.22Å; E80-M138 WeakPolarHBondContact OE2-CG 3.37Å
81N62.8Low55.6Low105 Ų10553.2 Ų53.256%0.56131%0.307SS*.G310 helixtrans-67.3-17.4179.270.40.7000113.7I79 W83 P85I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 WeakPolarHBondContact CD1-OD1 3.34Å; I79-N81 WeakPolarHBondContact CG1-OD1 3.43Å; I79-N81 PolarHBondContact O-N 2.97Å; I79-N81 VanDerWaalsContact O-N 3.15Å; N81-W83 VanDerWaalsContact C-N 3.28Å; N81-P85 VanDerWaalsContact O-CD 3.3Å; N81-P85 WeakPolarHBondContact O-CD 3.41Å
82M58.1Low56.5Low29 Ų2952.3 Ų52.314%0.14330%0.297CS..G310 helixtrans-83-7.9173.2-71.2-177.8150.500112.4A23 L65 I79 E80 P85 L86A23-M82 HydrophobicContact CB-SD 4.48Å; L65-M82 HydrophobicContact CD2-CB 3.95Å; L65-M82 HydrophobicContact CD2-CE 3.4Å; L65-M82 VanDerWaalsContact CD2-CE 3.4Å; L65-M82 HydrophobicContact CD2-CG 3.71Å; L65-M82 HydrophobicContact CD2-SD 3.35Å; L65-M82 WeakPolarHBondContact CD2-SD 3.49Å; L65-M82 HydrophobicContact CG-CE 4.49Å; I79-M82 HydrophobicContact CD1-CG 4.23Å; I79-M82 HydrophobicContact CD1-SD 4.3Å; I79-M82 HydrophobicContact CG1-CB 4.23Å; I79-M82 HydrophobicContact CG1-CG 3.67Å; I79-M82 HydrophobicContact CG1-SD 3.73Å; I79-M82 WeakPolarHBondContact O-CB 3.47Å; I79-M82 PolarHBondContact O-N 2.77Å; E80-M82 PolarHBondContact O-N 3.14Å; M82-P85 WeakPolarHBondContact O-CD 3.44Å; M82-L86 WeakPolarHBondContact O-CD1 3.4Å; M82-L86 WeakPolarHBondContact O-CG 3.36Å
83W56.1Low57.7Low26 Ų2657.8 Ų57.810%0.09831%0.309CS..THydrogen-bonded Turntrans-67.4-45.1178.7-178.6-118000113.6I78 E80 N81 L86 P89 L91 A111 I136I78-W83 HydrophobicContact CD1-CE3 3.97Å; E80-W83 WeakPolarHBondContact O-CB 3.35Å; E80-W83 PolarHBondContact O-N 2.65Å; N81-W83 VanDerWaalsContact C-N 3.28Å; W83-L86 HydrophobicContact CE3-CD1 4.41Å; W83-L86 WeakPolarHBondContact O-CB 3.33Å; W83-L86 PolarHBondContact O-N 3.47Å; W83-L86 VanDerWaalsContact O-N 3.09Å; W83-P89 HydrophobicContact CE3-CG 4.35Å; W83-P89 HydrophobicContact CH2-CB 3.59Å; W83-P89 HydrophobicContact CH2-CG 3.38Å; W83-P89 WeakPolarHBondContact CH2-O 3.33Å; W83-P89 HydrophobicContact CZ2-CB 4.38Å; W83-P89 HydrophobicContact CZ2-CG 4.24Å; W83-P89 WeakPolarHBondContact CZ2-O 3.23Å; W83-P89 HydrophobicContact CZ3-CB 4.13Å; W83-P89 HydrophobicContact CZ3-CG 3.44Å; W83-P89 VanDerWaalsContact CZ3-CG 3.44Å; W83-L91 HydrophobicContact CH2-CD2 3.28Å; W83-L91 HydrophobicContact CH2-CG 4.16Å; W83-L91 HydrophobicContact CZ2-CD1 4.27Å; W83-L91 HydrophobicContact CZ2-CD2 3.16Å; W83-L91 HydrophobicContact CZ2-CG 3.64Å; W83-L91 HydrophobicContact CZ3-CD2 4.09Å; W83-A111 HydrophobicContact CH2-CB 3.34Å; W83-A111 HydrophobicContact CZ3-CB 3.36Å; W83-I136 HydrophobicContact CD2-CD1 3.46Å; W83-I136 VanDerWaalsContact CD2-CD1 3.46Å; W83-I136 HydrophobicContact CE3-CD1 3.24Å; W83-I136 HydrophobicContact CE3-CG1 4.08Å; W83-I136 HydrophobicContact CG-CD1 4.1Å; W83-I136 HydrophobicContact CH2-CD1 3.86Å; W83-I136 HydrophobicContact CZ2-CD1 4.06Å; W83-I136 HydrophobicContact CZ3-CD1 3.46Å; W83-I136 VanDerWaalsContact CZ3-CD1 3.46Å; W83-I136 HydrophobicContact CZ3-CG1 4.28Å
84N54.9Low58.4Low115 Ų11557.4 Ų57.462%0.61531%0.309SS*.G310 helixtrans-60.9-46.3179.9-67.8-18.9000112L86 G87N84-L86 PolarHBondContact O-N 3.32Å; N84-L86 VanDerWaalsContact O-N 3.13Å; N84-G87 PolarHBondContact O-N 2.77Å
85P49.9Very low58.7Low49 Ų4958.4 Ų58.432%0.31832%0.316SS..G310 helixtrans-52.7-27.2171.2-32.736.6000116.2L65 N81 M82 G87L65-P85 HydrophobicContact CD1-CB 4.31Å; N81-P85 VanDerWaalsContact O-CD 3.3Å; N81-P85 WeakPolarHBondContact O-CD 3.41Å; M82-P85 WeakPolarHBondContact O-CD 3.44Å; P85-G87 PolarHBondContact O-N 3.33Å
86L51.6Low58.7Low18 Ų1862.9 Ų62.99%0.09435%0.347CS..G310 helixtrans-83.23-179.5-66.1167.1000113.2Y8 L65 I78 M82 W83 N84 P89 V113Y8-L86 WeakPolarHBondContact CE1-O 3.43Å; Y8-L86 VanDerWaalsContact CZ-O 3.31Å; L65-L86 HydrophobicContact CD1-CD2 3.96Å; L65-L86 HydrophobicContact CD1-CG 4.39Å; I78-L86 HydrophobicContact CD1-CD1 3.37Å; M82-L86 WeakPolarHBondContact O-CD1 3.4Å; M82-L86 WeakPolarHBondContact O-CG 3.36Å; W83-L86 HydrophobicContact CE3-CD1 4.41Å; W83-L86 WeakPolarHBondContact O-CB 3.33Å; W83-L86 PolarHBondContact O-N 3.47Å; W83-L86 VanDerWaalsContact O-N 3.09Å; N84-L86 PolarHBondContact O-N 3.32Å; N84-L86 VanDerWaalsContact O-N 3.13Å; L86-P89 HydrophobicContact CB-CG 4.42Å; L86-P89 WeakPolarHBondContact O-CD 3.17Å; L86-V113 HydrophobicContact CD1-CG1 4.28Å
87G54.8Low58.4Low53 Ų5364 Ų6455%0.54635%0.352SS..THydrogen-bonded Turntrans77.522.8-179.500000113.9N84 P85N84-G87 PolarHBondContact O-N 2.77Å; P85-G87 PolarHBondContact O-N 3.33Å
88C54.9Low57.8Low68 Ų6867 Ų6746%0.45937%0.37SS..  trans50.958.6177.1-57.50000115.1
89P59.1Low57.3Low16 Ų1668.2 Ų68.210%0.10438%0.381CS..PPolyproline II helixtrans-53.5159.3179.1-8.47.2000113.8W83 L86 L91 A111 V113W83-P89 HydrophobicContact CE3-CG 4.35Å; W83-P89 HydrophobicContact CH2-CB 3.59Å; W83-P89 HydrophobicContact CH2-CG 3.38Å; W83-P89 WeakPolarHBondContact CH2-O 3.33Å; W83-P89 HydrophobicContact CZ2-CB 4.38Å; W83-P89 HydrophobicContact CZ2-CG 4.24Å; W83-P89 WeakPolarHBondContact CZ2-O 3.23Å; W83-P89 HydrophobicContact CZ3-CB 4.13Å; W83-P89 HydrophobicContact CZ3-CG 3.44Å; W83-P89 VanDerWaalsContact CZ3-CG 3.44Å; L86-P89 HydrophobicContact CB-CG 4.42Å; L86-P89 WeakPolarHBondContact O-CD 3.17Å; P89-L91 PolarHBondContact O-N 3.44Å; P89-L91 VanDerWaalsContact O-N 3.15Å; P89-A111 HydrophobicContact CB-CB 4.34Å; P89-V113 HydrophobicContact CG-CG1 3.73Å
90N60.8Low56.8Low150 Ų15074.1 Ų74.180%0.80240%0.403SS*.PPolyproline II helixtrans-63.2125.8178.4-78.1-35.7000112
91L62.4Low56.3Low82 Ų8272 Ų7243%0.42940%0.396SS..EExtended strand (participates in β ladder)trans-79136.9178.5-63.6178.4000111.1W83 P89 R109 A111 I136W83-L91 HydrophobicContact CH2-CD2 3.28Å; W83-L91 HydrophobicContact CH2-CG 4.16Å; W83-L91 HydrophobicContact CZ2-CD1 4.27Å; W83-L91 HydrophobicContact CZ2-CD2 3.16Å; W83-L91 HydrophobicContact CZ2-CG 3.64Å; W83-L91 HydrophobicContact CZ3-CD2 4.09Å; P89-L91 PolarHBondContact O-N 3.44Å; P89-L91 VanDerWaalsContact O-N 3.15Å; L91-R109 HydrophobicContact CB-CB 3.91Å; L91-R109 HydrophobicContact CB-CG 3.85Å; L91-R109 HydrophobicContact CD1-CB 4.19Å; L91-R109 HydrophobicContact CD1-CG 3.88Å; L91-R109 HydrophobicContact CD2-CB 3.75Å; L91-R109 HydrophobicContact CD2-CG 4.34Å; L91-R109 HydrophobicContact CG-CB 4.16Å; L91-R109 HydrophobicContact CG-CG 4.23Å; L91-A111 HydrophobicContact CD2-CB 4.24Å; L91-I136 HydrophobicContact CD2-CD1 3.28Å; L91-I136 HydrophobicContact CD2-CG1 4.47Å
92R64.7Low55.4Low143 Ų14377.5 Ų77.554%0.5442%0.415SS..EExtended strand (participates in β ladder)trans-118.2162.6170.9-64.3-178.7-179157.92.4109.9A94 R109 K110 D112R92-A94 PolarHBondContact O-N 2.99Å; R92-R109 WeakPolarHBondContact O-CA 3.4Å; R92-R109 WeakPolarHBondContact O-CB 3.18Å; R92-R109 WeakPolarHBondContact O-CD 3.3Å; R92-K110 PolarHBondContact N-O 3.28Å; R92-K110 PolarHBondContact O-N 3.4Å; R92-D112 IonicContact CZ-OD2 3.55Å; R92-D112 IonicContact NH1-OD2 2.83Å; R92-D112 PolarHBondContact NH1-OD2 3.01Å; R92-D112 IonicContact NH2-OD2 3.88Å
93E68.6Low54.8Low164 Ų16477.2 Ų77.277%0.76642%0.417SS*.PPolyproline II helixtrans-61.6133.6171.7-163.3163.3-155.100109.9
94A61.2Low54.3Low21 Ų2182 Ų8217%0.17445%0.452CS..PPolyproline II helixtrans-82.5143.6176.100000109.4R92 V107 K110R92-A94 PolarHBondContact O-N 2.99Å; A94-V107 HydrophobicContact CB-CG1 3.34Å; A94-K110 HydrophobicContact CB-CB 4.19Å
95P55.8Low54.1Low34 Ų3478 Ų7822%0.22143%0.431CS..PPolyproline II helixtrans-60155.7171.826.7-32.8000110.1Y75 L97Y75-P95 HydrophobicContact CE1-CG 4.49Å; Y75-P95 HydrophobicContact CE2-CG 4.42Å; P95-L97 HydrophobicContact CG-CD2 4.06Å; P95-L97 WeakPolarHBondContact O-CG 3.34Å; P95-L97 PolarHBondContact O-N 3.28Å; P95-L97 VanDerWaalsContact O-N 3.09Å
96P52.8Low54.5Low110 Ų11084.2 Ų84.271%0.71445%0.448SS*.PPolyproline II helixtrans-59.6117.7171.322.2-29.2000109.1
97L54.3Low55Low32 Ų3285.2 Ų85.217%0.16846%0.455CS..  trans-106.1143.4179-58177.7000110.4Y75 P95 V107 I135 F146Y75-L97 HydrophobicContact CD2-CD2 3.45Å; Y75-L97 VanDerWaalsContact CD2-CD2 3.45Å; Y75-L97 HydrophobicContact CE2-CD2 3.33Å; Y75-L97 HydrophobicContact CG-CD2 4.44Å; P95-L97 HydrophobicContact CG-CD2 4.06Å; P95-L97 WeakPolarHBondContact O-CG 3.34Å; P95-L97 PolarHBondContact O-N 3.28Å; P95-L97 VanDerWaalsContact O-N 3.09Å; L97-V107 HydrophobicContact CB-CG2 4.26Å; L97-V107 HydrophobicContact CD1-CB 4.47Å; L97-V107 HydrophobicContact CD1-CG1 4.19Å; L97-V107 HydrophobicContact CD1-CG2 3.49Å; L97-V107 VanDerWaalsContact CD1-CG2 3.49Å; L97-V107 HydrophobicContact CG-CG2 4.21Å; L97-I135 HydrophobicContact CD1-CD1 3.31Å; L97-I135 HydrophobicContact CD1-CG1 4.48Å; L97-I135 HydrophobicContact CD1-CG2 3.83Å; L97-I135 HydrophobicContact CD2-CD1 3.92Å; L97-I135 HydrophobicContact CG-CD1 4.13Å; L97-F146 HydrophobicContact CB-CB 4.19Å; L97-F146 HydrophobicContact CB-CD1 3.38Å; L97-F146 HydrophobicContact CB-CE1 3.8Å; L97-F146 HydrophobicContact CB-CG 3.93Å; L97-F146 HydrophobicContact CD1-CB 3.86Å; L97-F146 HydrophobicContact CD1-CD1 3.58Å; L97-F146 HydrophobicContact CD1-CD2 3.52Å; L97-F146 HydrophobicContact CD1-CE1 3.8Å; L97-F146 HydrophobicContact CD1-CE2 3.72Å; L97-F146 HydrophobicContact CD1-CG 3.41Å; L97-F146 VanDerWaalsContact CD1-CG 3.41Å; L97-F146 HydrophobicContact CD1-CZ 3.87Å; L97-F146 HydrophobicContact CD2-CB 4.21Å; L97-F146 HydrophobicContact CG-CB 4.31Å; L97-F146 HydrophobicContact CG-CD1 4.08Å; L97-F146 HydrophobicContact CG-CE1 4.47Å; L97-F146 HydrophobicContact CG-CG 4.17Å
98V48.9Very low55.3Low74 Ų7484.9 Ų84.945%0.44844%0.44SS..EExtended strand (participates in β ladder)trans-96.5115.3166.3-177.90000107.5Y100V98-Y100 HydrophobicContact CG1-CE2 4.38Å
99A51.9Low55.9Low33 Ų3387.3 Ų87.327%0.27344%0.44SS..EExtended strand (participates in β ladder)trans-85.3122.6173.200000109T101 V105 F146A99-T101 HydrophobicContact CB-CG2 3.88Å; A99-T101 PolarHBondContact O-N 3.27Å; A99-V105 HydrophobicContact CB-CB 3.91Å; A99-V105 HydrophobicContact CB-CG1 4.1Å; A99-V105 HydrophobicContact CB-CG2 4.24Å; A99-F146 HydrophobicContact CB-CD1 4Å; A99-F146 HydrophobicContact CB-CE1 3.68Å
100Y49.1Very low56.2Low147 Ų14788.4 Ų88.458%0.57644%0.443SS*.  trans-86.465.5172.4-65.8-88000110.3V98 W145 T147V98-Y100 HydrophobicContact CG1-CE2 4.38Å; Y100-W145 PolarHBondContact N-O 3.46Å; Y100-T147 HydrophobicContact CD2-CG2 4.48Å; Y100-T147 HydrophobicContact CE2-CG2 3.94Å; Y100-T147 VanDerWaalsContact CE2-OG1 3.31Å; Y100-T147 WeakPolarHBondContact CE2-OG1 3.31Å
101T49.1Very low56.2Low44 Ų4481.3 Ų81.327%0.2741%0.405SS..SBendtrans-144149.4175.3172.80000110.6A99 A103 V105 F144A99-T101 HydrophobicContact CB-CG2 3.88Å; A99-T101 PolarHBondContact O-N 3.27Å; T101-A103 WeakPolarHBondContact CG2-O 3.5Å; T101-A103 PolarHBondContact O-N 3.39Å; T101-A103 PolarHBondContact OG1-N 3.22Å; T101-A103 VanDerWaalsContact OG1-N 3.16Å; T101-V105 HydrophobicContact CG2-CB 4.39Å; T101-V105 HydrophobicContact CG2-CG2 3.36Å; T101-F144 HydrophobicContact CG2-CB 3.85Å
102K45.7Very low56.2Low220 Ų22079 Ų7996%0.95739%0.394SS*.SBendtrans-72.2-13174.1-68.1-172.7177.9-1780112.5
103A43.5Very low55.7Low22 Ų2272.4 Ų72.418%0.18237%0.369CS..SBendtrans-96.5144.5177.900000111.8T101 V105 I141T101-A103 WeakPolarHBondContact CG2-O 3.5Å; T101-A103 PolarHBondContact O-N 3.39Å; T101-A103 PolarHBondContact OG1-N 3.22Å; T101-A103 VanDerWaalsContact OG1-N 3.16Å; A103-V105 PolarHBondContact O-N 3.03Å; A103-I141 HydrophobicContact CB-CD1 3.13Å; A103-I141 HydrophobicContact CB-CG1 3.62Å
104P46.4Very low55.2Low128 Ų12867.5 Ų67.583%0.83134%0.344SS*.  trans-62.5128.4173.324.7-31.2000110.1
105V51.8Low54.7Low31 Ų3166.9 Ų66.919%0.18834%0.338CS..  trans-120.8120.9-179.6166.40000107A99 T101 A103 W137 F144 F146A99-V105 HydrophobicContact CB-CB 3.91Å; A99-V105 HydrophobicContact CB-CG1 4.1Å; A99-V105 HydrophobicContact CB-CG2 4.24Å; T101-V105 HydrophobicContact CG2-CB 4.39Å; T101-V105 HydrophobicContact CG2-CG2 3.36Å; A103-V105 PolarHBondContact O-N 3.03Å; V105-W137 HydrophobicContact CG1-CG 4.25Å; V105-W137 VanDerWaalsContact CG1-NE1 3.33Å; V105-F144 HydrophobicContact CG1-CD2 3.65Å; V105-F144 HydrophobicContact CG1-CE2 3.63Å; V105-F144 HydrophobicContact CG1-CG 4.27Å; V105-F144 HydrophobicContact CG1-CZ 4.26Å; V105-F144 HydrophobicContact CG2-CB 4.37Å; V105-F144 HydrophobicContact CG2-CD1 4.13Å; V105-F144 HydrophobicContact CG2-CD2 4.07Å; V105-F144 HydrophobicContact CG2-CG 3.87Å; V105-F146 HydrophobicContact CG1-CE1 3.61Å; V105-F146 HydrophobicContact CG1-CE2 4.37Å; V105-F146 HydrophobicContact CG1-CZ 3.27Å
106R58Low54.6Low179 Ų17966.3 Ų66.368%0.67533%0.332SS*.EExtended strand (participates in β ladder)trans-102.7112.6176.1-167.1178.3-176.6-167.61.4109.6M138R106-M138 PolarHBondContact O-N 2.89Å; R106-M138 VanDerWaalsContact O-N 3.09Å
107V61.7Low54.4Low38 Ų3862.7 Ų62.723%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-75125.9168.5-178.80000107.9A94 L97 I135 F146A94-V107 HydrophobicContact CB-CG1 3.34Å; L97-V107 HydrophobicContact CB-CG2 4.26Å; L97-V107 HydrophobicContact CD1-CB 4.47Å; L97-V107 HydrophobicContact CD1-CG1 4.19Å; L97-V107 HydrophobicContact CD1-CG2 3.49Å; L97-V107 VanDerWaalsContact CD1-CG2 3.49Å; L97-V107 HydrophobicContact CG-CG2 4.21Å; V107-I135 HydrophobicContact CB-CG2 4.49Å; V107-I135 HydrophobicContact CG1-CG2 3.44Å; V107-I135 VanDerWaalsContact CG1-CG2 3.44Å; V107-I135 HydrophobicContact CG2-CG2 4.37Å; V107-F146 HydrophobicContact CG2-CE1 3.68Å; V107-F146 HydrophobicContact CG2-CE2 4.05Å; V107-F146 HydrophobicContact CG2-CZ 3.33Å
108L61.5Low54.2Low46 Ų4661.5 Ų61.524%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-84.3-61.8178-65.1177.7000110E80 I136 M138E80-L108 HydrophobicContact CG-CD1 4.32Å; L108-I136 HydrophobicContact CD1-CG2 4.13Å; L108-I136 PolarHBondContact N-O 3Å; L108-M138 HydrophobicContact CD1-CB 3.85Å; L108-M138 HydrophobicContact CD1-CG 3.86Å; L108-M138 HydrophobicContact CD1-SD 4.15Å; L108-M138 HydrophobicContact CD2-CB 4.03Å; L108-M138 HydrophobicContact CD2-CG 4.49Å; L108-M138 HydrophobicContact CD2-SD 4.13Å; L108-M138 HydrophobicContact CG-CB 3.93Å; L108-M138 HydrophobicContact CG-CG 4.44Å
109R66.4Low54Low119 Ų11963.5 Ų63.545%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-161.3164.3-167.4-67.3-65.7-174-138.93.1110.3L91 R92 I136L91-R109 HydrophobicContact CB-CB 3.91Å; L91-R109 HydrophobicContact CB-CG 3.85Å; L91-R109 HydrophobicContact CD1-CB 4.19Å; L91-R109 HydrophobicContact CD1-CG 3.88Å; L91-R109 HydrophobicContact CD2-CB 3.75Å; L91-R109 HydrophobicContact CD2-CG 4.34Å; L91-R109 HydrophobicContact CG-CB 4.16Å; L91-R109 HydrophobicContact CG-CG 4.23Å; R92-R109 WeakPolarHBondContact O-CA 3.4Å; R92-R109 WeakPolarHBondContact O-CB 3.18Å; R92-R109 WeakPolarHBondContact O-CD 3.3Å; R109-I136 PolarHBondContact O-N 3.19Å
110K66.8Low53.6Low40 Ų4067 Ų6717%0.17432%0.317CS..EExtended strand (participates in β ladder)trans-105.5144.5170.6-177.1179.3-174.9179.90109.2R92 A94 S133 V134 D154R92-K110 PolarHBondContact N-O 3.28Å; R92-K110 PolarHBondContact O-N 3.4Å; A94-K110 HydrophobicContact CB-CB 4.19Å; K110-S133 WeakPolarHBondContact CE-OG 3.24Å; K110-S133 PolarHBondContact NZ-OG 3.07Å; K110-S133 VanDerWaalsContact NZ-OG 3.14Å; K110-V134 CarbonylContact C-O 3.51Å; K110-V134 WeakPolarHBondContact CA-O 3.34Å; K110-D154 IonicContact NZ-OD2 3.59Å
111A60.2Low53.4Low1 Ų161.8 Ų61.81%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-136.4147.3173.300000110.6W83 P89 L91 S133 V134W83-A111 HydrophobicContact CH2-CB 3.34Å; W83-A111 HydrophobicContact CZ3-CB 3.36Å; P89-A111 HydrophobicContact CB-CB 4.34Å; L91-A111 HydrophobicContact CD2-CB 4.24Å; A111-S133 CarbonylContact O-C 3.56Å; A111-S133 WeakPolarHBondContact O-CA 3.49Å; A111-V134 HydrophobicContact CB-CG2 4.09Å; A111-V134 PolarHBondContact N-O 3.43Å; A111-V134 PolarHBondContact O-N 3.42Å
112D61.5Low52.9Low34 Ų3466.2 Ų66.218%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-93.2124.3168.2-65.9-36.3000108.7R92 R131 R132 S133R92-D112 IonicContact CZ-OD2 3.55Å; R92-D112 IonicContact NH1-OD2 2.83Å; R92-D112 PolarHBondContact NH1-OD2 3.01Å; R92-D112 IonicContact NH2-OD2 3.88Å; D112-R131 HydrophobicContact CB-CG 4.42Å; D112-R131 IonicContact OD2-CZ 3.55Å; D112-R131 IonicContact OD2-NE 2.74Å; D112-R131 IonicContact OD2-NH2 3.6Å; D112-R131 PolarHBondContact OD2-NH2 3.11Å; D112-R132 CarbonylContact C-O 3.57Å; D112-R132 WeakPolarHBondContact CA-O 3.47Å; D112-S133 PolarHBondContact OD1-OG 3.47Å
113V55.6Low52.8Low3 Ų361.2 Ų61.22%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-122.6149.9179.3-670000110L86 P89 V115 R131 R132 V134L86-V113 HydrophobicContact CD1-CG1 4.28Å; P89-V113 HydrophobicContact CG-CG1 3.73Å; V113-V115 HydrophobicContact CG2-CG2 3.95Å; V113-R131 CarbonylContact O-C 3.57Å; V113-R131 WeakPolarHBondContact O-CA 2.97Å; V113-R132 HydrophobicContact CG2-CB 4.3Å; V113-R132 WeakPolarHBondContact CG2-O 3.5Å; V113-R132 PolarHBondContact N-O 3.06Å; V113-R132 PolarHBondContact O-N 3.07Å; V113-V134 HydrophobicContact CB-CG2 4.34Å; V113-V134 HydrophobicContact CG1-CG2 3.66Å; V113-V134 HydrophobicContact CG2-CB 4.25Å; V113-V134 HydrophobicContact CG2-CG1 3.58Å; V113-V134 HydrophobicContact CG2-CG2 3.7Å
114Y56.2Low52.5Low62 Ų6261.6 Ų61.624%0.24333%0.327CS..EExtended strand (participates in β ladder)trans-92.8136.6167.5-75.5-82.9000109.7C130 R131Y114-C130 WeakPolarHBondContact CA-O 3.49Å; Y114-R131 HydrophobicContact CD1-CB 4.13Å; Y114-R131 HydrophobicContact CE1-CB 3.8Å; Y114-R131 HydrophobicContact CE1-CG 4.3Å
115V51.9Low52.3Low8 Ų858.5 Ų58.55%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-128.7105.8-169.2161.70000108.1L6 W67 V113 Q117 C129 C130 R132L6-V115 HydrophobicContact CD1-CG1 3.98Å; L6-V115 HydrophobicContact CD1-CG2 4.37Å; L6-V115 HydrophobicContact CD2-CB 3.6Å; L6-V115 HydrophobicContact CD2-CG1 3.36Å; L6-V115 HydrophobicContact CD2-CG2 3.98Å; L6-V115 HydrophobicContact CG-CG1 4.01Å; W67-V115 HydrophobicContact CE3-CG1 4.44Å; W67-V115 HydrophobicContact CH2-CG1 3.32Å; W67-V115 HydrophobicContact CZ3-CB 4.49Å; W67-V115 HydrophobicContact CZ3-CG1 3.19Å; V113-V115 HydrophobicContact CG2-CG2 3.95Å; V115-Q117 PolarHBondContact O-N 2.78Å; V115-C129 CarbonylContact O-C 3.49Å; V115-C129 VanDerWaalsContact O-CA 3.32Å; V115-C129 WeakPolarHBondContact O-CA 3.41Å; V115-C130 WeakPolarHBondContact CB-O 2.93Å; V115-C130 PolarHBondContact N-O 2.83Å; V115-C130 PolarHBondContact O-N 3.42Å; V115-R132 HydrophobicContact CB-CG 4.39Å; V115-R132 HydrophobicContact CG2-CB 4.05Å; V115-R132 HydrophobicContact CG2-CG 4.17Å
116E53.4Low51.8Low21 Ų2162.9 Ų62.910%0.09832%0.317CS..EExtended strand (participates in β ladder)trans-76.4110.5163.7-165.3174.2-171.300110.8G5 L6 R7 L118 S128G5-E116 VanDerWaalsContact O-O 3.05Å; L6-E116 WeakPolarHBondContact CA-O 3.32Å; L6-E116 WeakPolarHBondContact CD2-O 2.82Å; L6-E116 WeakPolarHBondContact CG-O 3.47Å; R7-E116 HydrophobicContact CB-CB 4.31Å; R7-E116 VanDerWaalsContact CB-OE2 3.24Å; R7-E116 WeakPolarHBondContact CB-OE2 2.94Å; R7-E116 WeakPolarHBondContact O-CB 3.37Å; E116-L118 HydrophobicContact CG-CG 4.46Å; E116-S128 CarbonylContact C-O 3.55Å; E116-S128 VanDerWaalsContact CA-O 3.31Å; E116-S128 WeakPolarHBondContact CA-O 3.15Å
117Q49.4Very low51.2Low34 Ų3456.4 Ų56.416%0.15931%0.306CS..EExtended strand (participates in β ladder)trans-90.4116.3172.1-176.9161.86.300109.2F4 W67 V115 G127 S128F4-Q117 HydrophobicContact CD1-CG 3.84Å; F4-Q117 HydrophobicContact CE1-CG 4.35Å; W67-Q117 HydrophobicContact CH2-CB 4.08Å; W67-Q117 HydrophobicContact CH2-CG 4.16Å; W67-Q117 HydrophobicContact CZ2-CB 4.15Å; W67-Q117 HydrophobicContact CZ2-CG 3.74Å; V115-Q117 PolarHBondContact O-N 2.78Å; Q117-G127 CarbonylContact O-C 3.55Å; Q117-G127 WeakPolarHBondContact O-CA 3.01Å; Q117-S128 PolarHBondContact N-O 2.9Å; Q117-S128 PolarHBondContact O-N 3.46Å
118L48.7Very low50.5Low8 Ų857.1 Ų57.14%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-99.7105.7177-71.5164.5000110.8F4 L48 L51 E116 I125 Y126F4-L118 WeakPolarHBondContact CD1-O 3.41Å; L48-L118 HydrophobicContact CD2-CD1 3.72Å; L51-L118 HydrophobicContact CD1-CD2 4.14Å; L51-L118 HydrophobicContact CD2-CD2 4.26Å; E116-L118 HydrophobicContact CG-CG 4.46Å; L118-I125 HydrophobicContact CB-CG2 4.31Å; L118-I125 HydrophobicContact CD2-CG2 3.75Å; L118-Y126 CarbonylContact C-O 3.47Å; L118-Y126 WeakPolarHBondContact CA-O 3.38Å
119E46.1Very low49.7Very low115 Ų11558.4 Ų58.454%0.53732%0.324SS..EExtended strand (participates in β ladder)trans-91.2127.3173.6-168.5169.5-166.500110.5F4 I125 Y126F4-E119 HydrophobicContact CE1-CB 4.13Å; F4-E119 HydrophobicContact CE1-CG 4.17Å; E119-I125 WeakPolarHBondContact O-CA 3.29Å; E119-Y126 PolarHBondContact N-O 2.73Å; E119-Y126 PolarHBondContact O-N 2.74Å
120I43.1Very low48.8Very low107 Ų10753 Ų5355%0.54931%0.305SS..EExtended strand (participates in β ladder)trans-97.9108.5177.2-54.2177.9000107.8I125I120-I125 HydrophobicContact CG1-CG1 4.4Å
121A44.2Very low48Very low38 Ų3857.2 Ų57.231%0.31432%0.32SS..EExtended strand (participates in β ladder)trans-109164.6174.700000110.7N123 G124 Y126A121-N123 WeakPolarHBondContact CB-OD1 3.41Å; A121-N123 PolarHBondContact O-N 2.75Å; A121-G124 PolarHBondContact N-O 2.78Å; A121-G124 PolarHBondContact O-N 2.77Å; A121-G124 VanDerWaalsContact O-N 3.11Å; A121-Y126 HydrophobicContact CB-CD2 4.17Å; A121-Y126 HydrophobicContact CB-CE2 4.06Å
122S39Very low47.7Very low137 Ų13757.6 Ų57.696%0.95832%0.321SS*.THydrogen-bonded Turntrans-60.6-19.5-178.6490000114
123N44.1Very low47.4Very low114 Ų11456.9 Ų56.961%0.6132%0.318SS*.THydrogen-bonded Turntrans-104.81.9-179.455.8-15000114.2A121 Y126A121-N123 WeakPolarHBondContact CB-OD1 3.41Å; A121-N123 PolarHBondContact O-N 2.75Å; N123-Y126 PolarHBondContact ND2-OH 3.49Å; N123-Y126 VanDerWaalsContact ND2-OH 3.14Å; N123-Y126 WeakPolarHBondContact OD1-CE2 3.39Å
124G36.8Very low47.6Very low30 Ų3057.1 Ų57.131%0.30932%0.32SS..EExtended strand (participates in β ladder)trans149-176.2176.800000114.5A121A121-G124 PolarHBondContact N-O 2.78Å; A121-G124 PolarHBondContact O-N 2.77Å; A121-G124 VanDerWaalsContact O-N 3.11Å
125I43Very low47.9Very low63 Ų6354.2 Ų54.232%0.32331%0.309SS..EExtended strand (participates in β ladder)trans-101.8124.5173.6-56.9174.4000108L51 L118 E119 I120L51-I125 HydrophobicContact CD1-CG2 4.09Å; L118-I125 HydrophobicContact CB-CG2 4.31Å; L118-I125 HydrophobicContact CD2-CG2 3.75Å; E119-I125 WeakPolarHBondContact O-CA 3.29Å; I120-I125 HydrophobicContact CG1-CG1 4.4Å
126Y40.7Very low48.2Very low124 Ų12454 Ų5449%0.48631%0.307SS..EExtended strand (participates in β ladder)trans-109123.5177.5-64.8-87.6000108.9L118 E119 A121 N123L118-Y126 CarbonylContact C-O 3.47Å; L118-Y126 WeakPolarHBondContact CA-O 3.38Å; E119-Y126 PolarHBondContact N-O 2.73Å; E119-Y126 PolarHBondContact O-N 2.74Å; A121-Y126 HydrophobicContact CB-CD2 4.17Å; A121-Y126 HydrophobicContact CB-CE2 4.06Å; N123-Y126 PolarHBondContact ND2-OH 3.49Å; N123-Y126 VanDerWaalsContact ND2-OH 3.14Å; N123-Y126 WeakPolarHBondContact OD1-CE2 3.39Å
127G45.1Very low48.6Very low43 Ų4353.5 Ų53.544%0.44331%0.305SS..EExtended strand (participates in β ladder)trans-105.2131.4174.300000110.9Q117Q117-G127 CarbonylContact O-C 3.55Å; Q117-G127 WeakPolarHBondContact O-CA 3.01Å
128S46.5Very low48.6Very low53 Ų5356 Ų5637%0.37132%0.317SS..EExtended strand (participates in β ladder)trans-125.4126.6168.363.80000110.7E116 Q117E116-S128 CarbonylContact C-O 3.55Å; E116-S128 VanDerWaalsContact CA-O 3.31Å; E116-S128 WeakPolarHBondContact CA-O 3.15Å; Q117-S128 PolarHBondContact N-O 2.9Å; Q117-S128 PolarHBondContact O-N 3.46Å
129C45.2Very low48.5Very low72 Ų7257.7 Ų57.749%0.48634%0.337SS..EExtended strand (participates in β ladder)trans-88.6127173.2-77.20000110.5V115V115-C129 CarbonylContact O-C 3.49Å; V115-C129 VanDerWaalsContact O-CA 3.32Å; V115-C129 WeakPolarHBondContact O-CA 3.41Å
130C48.2Very low48.2Very low6 Ų660.6 Ų60.64%0.04136%0.355CS..EExtended strand (participates in β ladder)trans-130.3139.7-178.8-56.10000110.7W18 Y114 V115 R132W18-C130 PolarHBondContact O-SG 3.31Å; Y114-C130 WeakPolarHBondContact CA-O 3.49Å; V115-C130 WeakPolarHBondContact CB-O 2.93Å; V115-C130 PolarHBondContact N-O 2.83Å; V115-C130 PolarHBondContact O-N 3.42Å; C130-R132 PolarHBondContact O-N 2.81Å
131R49.1Very low48Very low129 Ų12958.4 Ų58.449%0.48734%0.344SS..EExtended strand (participates in β ladder)trans-79.1121.7170.2-171.6176.1177.1163.61.1108.6D112 V113 Y114D112-R131 HydrophobicContact CB-CG 4.42Å; D112-R131 IonicContact OD2-CZ 3.55Å; D112-R131 IonicContact OD2-NE 2.74Å; D112-R131 IonicContact OD2-NH2 3.6Å; D112-R131 PolarHBondContact OD2-NH2 3.11Å; V113-R131 CarbonylContact O-C 3.57Å; V113-R131 WeakPolarHBondContact O-CA 2.97Å; Y114-R131 HydrophobicContact CD1-CB 4.13Å; Y114-R131 HydrophobicContact CE1-CB 3.8Å; Y114-R131 HydrophobicContact CE1-CG 4.3Å
132R54.4Low47.8Very low8 Ų859 Ų593%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-118.1145.4173.6-73-163.3-174.5167.60.6111.4G19 A20 G21 W67 D112 V113 V115 C130G19-R132 PolarHBondContact O-NE 3.34Å; G19-R132 PolarHBondContact O-NH2 3.12Å; A20-R132 PolarHBondContact O-NH2 3.17Å; G21-R132 PolarHBondContact O-NH1 3.01Å; W67-R132 VanDerWaalsContact CE3-NH1 3.31Å; W67-R132 VanDerWaalsContact CH2-CZ 3.4Å; W67-R132 VanDerWaalsContact CH2-NH2 3.33Å; W67-R132 VanDerWaalsContact CZ3-CZ 3.42Å; D112-R132 CarbonylContact C-O 3.57Å; D112-R132 WeakPolarHBondContact CA-O 3.47Å; V113-R132 HydrophobicContact CG2-CB 4.3Å; V113-R132 WeakPolarHBondContact CG2-O 3.5Å; V113-R132 PolarHBondContact N-O 3.06Å; V113-R132 PolarHBondContact O-N 3.07Å; V115-R132 HydrophobicContact CB-CG 4.39Å; V115-R132 HydrophobicContact CG2-CB 4.05Å; V115-R132 HydrophobicContact CG2-CG 4.17Å; C130-R132 PolarHBondContact O-N 2.81Å
133S54.7Low47.8Very low19 Ų1957.4 Ų57.413%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-89.4113.6167.4-86.80000108.8K110 A111 D112 D154K110-S133 WeakPolarHBondContact CE-OG 3.24Å; K110-S133 PolarHBondContact NZ-OG 3.07Å; K110-S133 VanDerWaalsContact NZ-OG 3.14Å; A111-S133 CarbonylContact O-C 3.56Å; A111-S133 WeakPolarHBondContact O-CA 3.49Å; D112-S133 PolarHBondContact OD1-OG 3.47Å; S133-D154 VanDerWaalsContact CB-OD2 3.29Å; S133-D154 WeakPolarHBondContact CB-OD2 2.92Å
134V60.6Low47.6Very low9 Ų952.7 Ų52.76%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-103.4143.7174.4-70.10000110.7S76 I78 K110 A111 V113S76-V134 CarbonylContact O-C 3.47Å; S76-V134 WeakPolarHBondContact O-CA 3.12Å; I78-V134 HydrophobicContact CD1-CB 4.38Å; I78-V134 HydrophobicContact CD1-CG2 3.95Å; I78-V134 HydrophobicContact CG1-CB 4.33Å; I78-V134 HydrophobicContact CG1-CG2 4.4Å; I78-V134 HydrophobicContact CG2-CB 4.1Å; I78-V134 HydrophobicContact CG2-CG1 3.96Å; K110-V134 CarbonylContact C-O 3.51Å; K110-V134 WeakPolarHBondContact CA-O 3.34Å; A111-V134 HydrophobicContact CB-CG2 4.09Å; A111-V134 PolarHBondContact N-O 3.43Å; A111-V134 PolarHBondContact O-N 3.42Å; V113-V134 HydrophobicContact CB-CG2 4.34Å; V113-V134 HydrophobicContact CG1-CG2 3.66Å; V113-V134 HydrophobicContact CG2-CB 4.25Å; V113-V134 HydrophobicContact CG2-CG1 3.58Å; V113-V134 HydrophobicContact CG2-CG2 3.7Å
135I60.9Low47.9Very low0 Ų056.7 Ų56.70%030%0.3CS..EExtended strand (participates in β ladder)trans-104.6124.6175.2-61.7-166.3000107.6Y75 S76 V77 I78 L97 V107 F146Y75-I135 HydrophobicContact CD1-CD1 3.68Å; Y75-I135 HydrophobicContact CD1-CG1 4.29Å; Y75-I135 HydrophobicContact CD2-CD1 3.79Å; Y75-I135 HydrophobicContact CE1-CD1 4.35Å; Y75-I135 HydrophobicContact CE2-CD1 4.42Å; Y75-I135 HydrophobicContact CG-CD1 3.36Å; Y75-I135 HydrophobicContact CG-CG1 4.2Å; S76-I135 PolarHBondContact O-N 3.1Å; V77-I135 WeakPolarHBondContact CA-O 3.35Å; I78-I135 PolarHBondContact N-O 2.98Å; L97-I135 HydrophobicContact CD1-CD1 3.31Å; L97-I135 HydrophobicContact CD1-CG1 4.48Å; L97-I135 HydrophobicContact CD1-CG2 3.83Å; L97-I135 HydrophobicContact CD2-CD1 3.92Å; L97-I135 HydrophobicContact CG-CD1 4.13Å; V107-I135 HydrophobicContact CB-CG2 4.49Å; V107-I135 HydrophobicContact CG1-CG2 3.44Å; V107-I135 VanDerWaalsContact CG1-CG2 3.44Å; V107-I135 HydrophobicContact CG2-CG2 4.37Å; I135-F146 HydrophobicContact CG2-CE2 4.27Å
136I60Low47.9Very low5 Ų553.8 Ų53.83%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-90.1125.5177.4-47.4178.8000107.6I78 E80 W83 L91 L108 R109I78-I136 HydrophobicContact CD1-CG1 4.05Å; I78-I136 HydrophobicContact CG1-CB 4.48Å; I78-I136 HydrophobicContact CG1-CG1 4.01Å; E80-I136 HydrophobicContact CB-CG2 4.31Å; W83-I136 HydrophobicContact CD2-CD1 3.46Å; W83-I136 VanDerWaalsContact CD2-CD1 3.46Å; W83-I136 HydrophobicContact CE3-CD1 3.24Å; W83-I136 HydrophobicContact CE3-CG1 4.08Å; W83-I136 HydrophobicContact CG-CD1 4.1Å; W83-I136 HydrophobicContact CH2-CD1 3.86Å; W83-I136 HydrophobicContact CZ2-CD1 4.06Å; W83-I136 HydrophobicContact CZ3-CD1 3.46Å; W83-I136 VanDerWaalsContact CZ3-CD1 3.46Å; W83-I136 HydrophobicContact CZ3-CG1 4.28Å; L91-I136 HydrophobicContact CD2-CD1 3.28Å; L91-I136 HydrophobicContact CD2-CG1 4.47Å; L108-I136 HydrophobicContact CD1-CG2 4.13Å; L108-I136 PolarHBondContact N-O 3Å; R109-I136 PolarHBondContact O-N 3.19Å
137W61Low47.6Very low10 Ų1049.3 Ų49.34%0.03827%0.271CS..EExtended strand (participates in β ladder)trans-117.4149.1177.1160.186.3000111.9V77 I78 I79 E80 V105 G139 I141 F144V77-W137 HydrophobicContact CG1-CB 4.12Å; I78-W137 PolarHBondContact O-N 2.71Å; I78-W137 VanDerWaalsContact O-N 3.08Å; I79-W137 HydrophobicContact CB-CE3 4.5Å; I79-W137 HydrophobicContact CG2-CE3 3.81Å; I79-W137 HydrophobicContact CG2-CZ3 3.65Å; E80-W137 PolarHBondContact N-O 3.05Å; V105-W137 HydrophobicContact CG1-CG 4.25Å; V105-W137 VanDerWaalsContact CG1-NE1 3.33Å; W137-G139 WeakPolarHBondContact CH2-O 3.31Å; W137-G139 VanDerWaalsContact CZ2-N 3.28Å; W137-G139 WeakPolarHBondContact CZ2-O 3.32Å; W137-I141 WeakPolarHBondContact CH2-O 3.5Å; W137-I141 VanDerWaalsContact CZ2-O 3.25Å; W137-I141 WeakPolarHBondContact CZ2-O 3.41Å; W137-F144 HydrophobicContact CB-CE2 4.05Å; W137-F144 HydrophobicContact CB-CZ 3.6Å; W137-F144 AromaticContact CD1-CE2 3.88Å; W137-F144 AromaticContact CD1-CZ 3.54Å; W137-F144 AromaticContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE2 4.11Å; W137-F144 AromaticContact CD2-CZ 3.05Å; W137-F144 HydrophobicContact CD2-CZ 3.05Å; W137-F144 AromaticContact CE2-CE1 3.17Å; W137-F144 AromaticContact CE2-CZ 3.34Å; W137-F144 AromaticContact CE3-CE1 3.59Å; W137-F144 HydrophobicContact CE3-CE1 3.59Å; W137-F144 AromaticContact CE3-CZ 3.55Å; W137-F144 HydrophobicContact CE3-CZ 3.55Å; W137-F144 AromaticContact CG-CE1 3.84Å; W137-F144 HydrophobicContact CG-CE1 3.84Å; W137-F144 AromaticContact CG-CE2 3.74Å; W137-F144 HydrophobicContact CG-CE2 3.74Å; W137-F144 AromaticContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CH2-CD1 4.47Å; W137-F144 AromaticContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CZ 4.38Å; W137-F144 AromaticContact CZ2-CD1 4Å; W137-F144 HydrophobicContact CZ2-CD1 4Å; W137-F144 AromaticContact CZ2-CE1 3.29Å; W137-F144 HydrophobicContact CZ2-CE1 3.29Å; W137-F144 AromaticContact CZ2-CZ 3.98Å; W137-F144 HydrophobicContact CZ2-CZ 3.98Å; W137-F144 AromaticContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CZ 4.21Å; W137-F144 AromaticContact NE1-CE1 3.77Å; W137-F144 AromaticContact NE1-CZ 3.65Å
138M48.8Very low47.1Very low86 Ų8650 Ų5042%0.42426%0.262SS..EExtended strand (participates in β ladder)trans-120.1121.3169.3-123.8-170.6163.500109.5E80 R106 L108E80-M138 HydrophobicContact CB-CG 4.41Å; E80-M138 WeakPolarHBondContact OE2-CE 3.11Å; E80-M138 VanDerWaalsContact OE2-CG 3.22Å; E80-M138 WeakPolarHBondContact OE2-CG 3.37Å; R106-M138 PolarHBondContact O-N 2.89Å; R106-M138 VanDerWaalsContact O-N 3.09Å; L108-M138 HydrophobicContact CD1-CB 3.85Å; L108-M138 HydrophobicContact CD1-CG 3.86Å; L108-M138 HydrophobicContact CD1-SD 4.15Å; L108-M138 HydrophobicContact CD2-CB 4.03Å; L108-M138 HydrophobicContact CD2-CG 4.49Å; L108-M138 HydrophobicContact CD2-SD 4.13Å; L108-M138 HydrophobicContact CG-CB 3.93Å; L108-M138 HydrophobicContact CG-CG 4.44Å
139G46.2Very low46.3Very low44 Ų4451.9 Ų51.945%0.45427%0.274SS..SBendtrans175.2-173.7169.600000113.2W137W137-G139 WeakPolarHBondContact CH2-O 3.31Å; W137-G139 VanDerWaalsContact CZ2-N 3.28Å; W137-G139 WeakPolarHBondContact CZ2-O 3.32Å
140L39.7Very low45.7Very low176 Ų17652.1 Ų52.192%0.92128%0.276SS*.SBendtrans-92.7-14.5-171.7-80.3157000114.2P142L140-P142 WeakPolarHBondContact O-CD 3.41Å
141I40.9Very low44.8Very low61 Ų6154.4 Ų54.431%0.31330%0.3SS..  trans-100.7116-173.5-57.3-144.9000111.2A103 W137 F143 F144A103-I141 HydrophobicContact CB-CD1 3.13Å; A103-I141 HydrophobicContact CB-CG1 3.62Å; W137-I141 WeakPolarHBondContact CH2-O 3.5Å; W137-I141 VanDerWaalsContact CZ2-O 3.25Å; W137-I141 WeakPolarHBondContact CZ2-O 3.41Å; I141-F143 WeakPolarHBondContact CG2-O 3.41Å; I141-F143 PolarHBondContact O-N 2.82Å; I141-F143 VanDerWaalsContact O-N 3.12Å; I141-F144 VanDerWaalsContact O-CD1 3.25Å; I141-F144 WeakPolarHBondContact O-CD1 3.26Å; I141-F144 WeakPolarHBondContact O-CE1 3.45Å
142P38.3Very low44Very low49 Ų4955.4 Ų55.432%0.31831%0.31SS..SBendtrans-68.8-10.5-175.322-28.9000115.4S25 L140S25-P142 WeakPolarHBondContact OG-CB 3.25Å; L140-P142 WeakPolarHBondContact O-CD 3.41Å
143F39.6Very low43.2Very low104 Ų10456 Ų5646%0.45632%0.319SS..  trans-137.7113.4-175.3-52.1-82.2000111.2I24 I141I24-F143 HydrophobicContact CD1-CD1 4.06Å; I24-F143 HydrophobicContact CD1-CE1 3.9Å; I24-F143 HydrophobicContact CG2-CD1 4.38Å; I24-F143 HydrophobicContact CG2-CE1 3.56Å; I24-F143 HydrophobicContact CG2-CZ 4.27Å; I141-F143 WeakPolarHBondContact CG2-O 3.41Å; I141-F143 PolarHBondContact O-N 2.82Å; I141-F143 VanDerWaalsContact O-N 3.12Å
144F40.8Very low42.4Very low15 Ų1558.6 Ų58.67%0.06633%0.331CS..  trans-156.8159.1169.953.6-84.1000109.5V77 T101 V105 W137 I141 F146V77-F144 HydrophobicContact CG1-CE2 3.85Å; V77-F144 HydrophobicContact CG1-CZ 3.77Å; T101-F144 HydrophobicContact CG2-CB 3.85Å; V105-F144 HydrophobicContact CG1-CD2 3.65Å; V105-F144 HydrophobicContact CG1-CE2 3.63Å; V105-F144 HydrophobicContact CG1-CG 4.27Å; V105-F144 HydrophobicContact CG1-CZ 4.26Å; V105-F144 HydrophobicContact CG2-CB 4.37Å; V105-F144 HydrophobicContact CG2-CD1 4.13Å; V105-F144 HydrophobicContact CG2-CD2 4.07Å; V105-F144 HydrophobicContact CG2-CG 3.87Å; W137-F144 HydrophobicContact CB-CE2 4.05Å; W137-F144 HydrophobicContact CB-CZ 3.6Å; W137-F144 AromaticContact CD1-CE2 3.88Å; W137-F144 AromaticContact CD1-CZ 3.54Å; W137-F144 AromaticContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE1 3.29Å; W137-F144 HydrophobicContact CD2-CE2 4.11Å; W137-F144 AromaticContact CD2-CZ 3.05Å; W137-F144 HydrophobicContact CD2-CZ 3.05Å; W137-F144 AromaticContact CE2-CE1 3.17Å; W137-F144 AromaticContact CE2-CZ 3.34Å; W137-F144 AromaticContact CE3-CE1 3.59Å; W137-F144 HydrophobicContact CE3-CE1 3.59Å; W137-F144 AromaticContact CE3-CZ 3.55Å; W137-F144 HydrophobicContact CE3-CZ 3.55Å; W137-F144 AromaticContact CG-CE1 3.84Å; W137-F144 HydrophobicContact CG-CE1 3.84Å; W137-F144 AromaticContact CG-CE2 3.74Å; W137-F144 HydrophobicContact CG-CE2 3.74Å; W137-F144 AromaticContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CG-CZ 3.09Å; W137-F144 HydrophobicContact CH2-CD1 4.47Å; W137-F144 AromaticContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CE1 3.61Å; W137-F144 HydrophobicContact CH2-CZ 4.38Å; W137-F144 AromaticContact CZ2-CD1 4Å; W137-F144 HydrophobicContact CZ2-CD1 4Å; W137-F144 AromaticContact CZ2-CE1 3.29Å; W137-F144 HydrophobicContact CZ2-CE1 3.29Å; W137-F144 AromaticContact CZ2-CZ 3.98Å; W137-F144 HydrophobicContact CZ2-CZ 3.98Å; W137-F144 AromaticContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CE1 3.77Å; W137-F144 HydrophobicContact CZ3-CZ 4.21Å; W137-F144 AromaticContact NE1-CE1 3.77Å; W137-F144 AromaticContact NE1-CZ 3.65Å; I141-F144 VanDerWaalsContact O-CD1 3.25Å; I141-F144 WeakPolarHBondContact O-CD1 3.26Å; I141-F144 WeakPolarHBondContact O-CE1 3.45Å; F144-F146 HydrophobicContact CD2-CD2 4.32Å; F144-F146 HydrophobicContact CD2-CE1 4.35Å; F144-F146 AromaticContact CD2-CE2 3.8Å; F144-F146 HydrophobicContact CD2-CE2 3.8Å; F144-F146 AromaticContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CE2-CD2 4.16Å; F144-F146 HydrophobicContact CE2-CE1 4.48Å; F144-F146 AromaticContact CE2-CE2 3.33Å; F144-F146 HydrophobicContact CE2-CE2 3.33Å; F144-F146 AromaticContact CE2-CZ 3.52Å; F144-F146 HydrophobicContact CE2-CZ 3.52Å
145W43Very low41.1Very low114 Ų11463.5 Ų63.543%0.43236%0.361SS..  trans-121.1136.4-168.3-36.4104.6000108.8D70 V73 Y100D70-W145 HydrophobicContact CB-CE3 4.13Å; D70-W145 HydrophobicContact CB-CH2 4.31Å; D70-W145 HydrophobicContact CB-CZ3 3.58Å; D70-W145 WeakPolarHBondContact OD2-CZ3 3.46Å; V73-W145 HydrophobicContact CG1-CB 3.55Å; V73-W145 HydrophobicContact CG1-CD2 4.22Å; V73-W145 HydrophobicContact CG1-CE3 3.65Å; V73-W145 HydrophobicContact CG1-CG 4.25Å; Y100-W145 PolarHBondContact N-O 3.46Å
146F41.7Very low39.8Very low2 Ų265.3 Ų65.31%0.00937%0.374CS..EExtended strand (participates in β ladder)trans-114.5132169.8-60.6-70.6000110C74 Y75 V77 L97 A99 V105 V107 I135 F144C74-F146 PolarHBondContact N-O 3.41Å; Y75-F146 HydrophobicContact CD2-CB 4.35Å; V77-F146 HydrophobicContact CG1-CE2 4.44Å; V77-F146 HydrophobicContact CG2-CD2 3.51Å; V77-F146 HydrophobicContact CG2-CE2 3.83Å; L97-F146 HydrophobicContact CB-CB 4.19Å; L97-F146 HydrophobicContact CB-CD1 3.38Å; L97-F146 HydrophobicContact CB-CE1 3.8Å; L97-F146 HydrophobicContact CB-CG 3.93Å; L97-F146 HydrophobicContact CD1-CB 3.86Å; L97-F146 HydrophobicContact CD1-CD1 3.58Å; L97-F146 HydrophobicContact CD1-CD2 3.52Å; L97-F146 HydrophobicContact CD1-CE1 3.8Å; L97-F146 HydrophobicContact CD1-CE2 3.72Å; L97-F146 HydrophobicContact CD1-CG 3.41Å; L97-F146 VanDerWaalsContact CD1-CG 3.41Å; L97-F146 HydrophobicContact CD1-CZ 3.87Å; L97-F146 HydrophobicContact CD2-CB 4.21Å; L97-F146 HydrophobicContact CG-CB 4.31Å; L97-F146 HydrophobicContact CG-CD1 4.08Å; L97-F146 HydrophobicContact CG-CE1 4.47Å; L97-F146 HydrophobicContact CG-CG 4.17Å; A99-F146 HydrophobicContact CB-CD1 4Å; A99-F146 HydrophobicContact CB-CE1 3.68Å; V105-F146 HydrophobicContact CG1-CE1 3.61Å; V105-F146 HydrophobicContact CG1-CE2 4.37Å; V105-F146 HydrophobicContact CG1-CZ 3.27Å; V107-F146 HydrophobicContact CG2-CE1 3.68Å; V107-F146 HydrophobicContact CG2-CE2 4.05Å; V107-F146 HydrophobicContact CG2-CZ 3.33Å; I135-F146 HydrophobicContact CG2-CE2 4.27Å; F144-F146 HydrophobicContact CD2-CD2 4.32Å; F144-F146 HydrophobicContact CD2-CE1 4.35Å; F144-F146 AromaticContact CD2-CE2 3.8Å; F144-F146 HydrophobicContact CD2-CE2 3.8Å; F144-F146 AromaticContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CD2-CZ 3.79Å; F144-F146 HydrophobicContact CE2-CD2 4.16Å; F144-F146 HydrophobicContact CE2-CE1 4.48Å; F144-F146 AromaticContact CE2-CE2 3.33Å; F144-F146 HydrophobicContact CE2-CE2 3.33Å; F144-F146 AromaticContact CE2-CZ 3.52Å; F144-F146 HydrophobicContact CE2-CZ 3.52Å
147T34.3Very low38.3Very low30 Ų3066.3 Ų66.318%0.18439%0.385CS..EExtended strand (participates in β ladder)trans-109.7146.7164.972.80000109.6G72 C74 Y100G72-T147 WeakPolarHBondContact O-CG2 3.43Å; C74-T147 VanDerWaalsContact SG-CA 3.52Å; Y100-T147 HydrophobicContact CD2-CG2 4.48Å; Y100-T147 HydrophobicContact CE2-CG2 3.94Å; Y100-T147 VanDerWaalsContact CE2-OG1 3.31Å; Y100-T147 WeakPolarHBondContact CE2-OG1 3.31Å
148H35.3Very low36.8Very low57 Ų5772.3 Ų72.326%0.26442%0.418SS..  trans-66.9144.7166.5-166.1-106.4000108.7C74 Y75 S150 G151 H152C74-H148 HydrophobicContact CB-CB 4.2Å; C74-H148 VanDerWaalsContact CB-N 3.3Å; C74-H148 PolarHBondContact SG-N 3.26Å; Y75-H148 HydrophobicContact CE2-CB 4.04Å; Y75-H148 PolarHBondContact OH-CD2 3.14Å; H148-S150 WeakPolarHBondContact ND1-CB 3.19Å; H148-S150 PolarHBondContact ND1-N 3.41Å; H148-S150 PolarHBondContact ND1-OG 2.79Å; H148-S150 PolarHBondContact O-N 2.92Å; H148-S150 VanDerWaalsContact O-N 3.09Å; H148-G151 PolarHBondContact O-N 2.87Å; H148-H152 VanDerWaalsContact CB-O 3.31Å; H148-H152 WeakPolarHBondContact CB-O 3.46Å
149P29Very low35.7Very low94 Ų9471.4 Ų71.461%0.6143%0.431SS*.THydrogen-bonded Turntrans-56.8-26.8178-2533.4000113.5
150S34.3Very low34.6Very low76 Ų7679.7 Ų79.753%0.53146%0.455SS..THydrogen-bonded Turntrans-85.8-0.4177.477.60000114.7H148 H152H148-S150 WeakPolarHBondContact ND1-CB 3.19Å; H148-S150 PolarHBondContact ND1-N 3.41Å; H148-S150 PolarHBondContact ND1-OG 2.79Å; H148-S150 PolarHBondContact O-N 2.92Å; H148-S150 VanDerWaalsContact O-N 3.09Å; S150-H152 PolarHBondContact O-N 3.47Å
151G28.8Very low33.9Very low54 Ų5474.1 Ų74.156%0.55744%0.44SS*.SBendtrans69.45.8-176.900000115.4H148H148-G151 PolarHBondContact O-N 2.87Å
152H32.2Very low33.1Very low151 Ų15176.3 Ų76.370%0.69946%0.456SS*.  trans-96.9111.9172.6-75.6-4.1000109.8H148 S150H148-H152 VanDerWaalsContact CB-O 3.31Å; H148-H152 WeakPolarHBondContact CB-O 3.46Å; S150-H152 PolarHBondContact O-N 3.47Å
153G37Very low32.3Very low21 Ų2182.9 Ų82.922%0.21648%0.482CS..  trans-77162168.100000112C74 T155C74-G153 VanDerWaalsContact CA-CA 3.49Å; C74-G153 VanDerWaalsContact CB-CA 3.46Å; C74-G153 WeakPolarHBondContact O-CA 3.3Å; G153-T155 PolarHBondContact O-N 3.33Å
154D38.5Very low31.4Very low72 Ų7281.2 Ų81.239%0.38550%0.495SS..  trans-63.484.4163.8-81.1-31.2000107A20 C74 Y75 K110 S133A20-D154 WeakPolarHBondContact CB-O 3.21Å; C74-D154 PolarHBondContact O-N 2.79Å; Y75-D154 WeakPolarHBondContact CE1-OD2 3.32Å; K110-D154 IonicContact NZ-OD2 3.59Å; S133-D154 VanDerWaalsContact CB-OD2 3.29Å; S133-D154 WeakPolarHBondContact CB-OD2 2.92Å
155T33.7Very low30.6Very low112 Ų11290.6 Ų90.669%0.68754%0.536SS*.  trans-83.2119.9176.451.60000108.5G153 G157G153-T155 PolarHBondContact O-N 3.33Å; T155-G157 PolarHBondContact O-N 3.21Å; T155-G157 VanDerWaalsContact O-N 3.12Å
156C33Very low29.5Very low38 Ų3892.3 Ų92.326%0.25755%0.554SS.*SBendtrans-81.880.7156.5-58.70000107.5W18 G19 A20W18-C156 VanDerWaalsContact C-CB 3.45Å; G19-C156 VanDerWaalsContact CA-CB 3.42Å; G19-C156 PolarHBondContact N-O 3.07Å; G19-C156 PolarHBondContact O-SG 3.13Å; G19-C156 VanDerWaalsContact O-SG 3.34Å; A20-C156 HydrophobicContact CB-CB 4.13Å
157G28.9Very low28.7Very low26 Ų26107 Ų10727%0.26861%0.609SS.*SBendtrans170.7120.9177.200000112.8T155T155-G157 PolarHBondContact O-N 3.21Å; T155-G157 VanDerWaalsContact O-N 3.12Å
158D28.3Very low28.5Very low136 Ų136110.9 Ų110.973%0.72763%0.63SS**  trans76.580.3157-56.6-29.5000120.6W18W18-D158 WeakPolarHBondContact CH2-OD1 3.4Å; W18-D158 VanDerWaalsContact CZ2-OD1 3.32Å; W18-D158 WeakPolarHBondContact CZ2-OD1 2.9Å
159G26.4Very low28.1Very low68 Ų68113.7 Ų113.770%0.70165%0.649SS**  trans-158.970.1163.700000112
160K23.4Very low28.1Very low217 Ų217114.8 Ų114.894%0.94365%0.652SS**  trans17.5110.3163.8-62.3-164.6177.7-174.40118
161G23.9Very low27.7Very low59 Ų59117.1 Ų117.161%0.60866%0.659SS**  trans129107.4154.800000113.1
162V24.9Very low27.6Very low107 Ų107121 Ų12165%0.64867%0.665SS**  -165.4136.298.9-174.10000108.8
163E21.4Very low27.3Very low187 Ų187119 Ų11987%0.87466%0.663SS**  trans-59.5144.2177.3-62165141.200114.2
164G21.2Very low26.6Very low70 Ų70126 Ų12672%0.72270%0.695SS**  trans64.3112.6143.400000119.9
165F23.7Very low25.7Very low211 Ų211130.2 Ų130.293%0.92572%0.718SS**  trans-152.6127.3132.4-122.7-88.3000110
166N20.1Very low25Very low151 Ų151131.7 Ų131.781%0.80772%0.721SS**  trans-115.8125.1-176.1-141-8.6000106.5
167R25.3Very low24.3Very low310 Ų310140.2 Ų140.2100%1.1776%0.763SS**  trans63.40173.9-68.5-174.8-177.7178.10.8118.9

Retrieved 167 of 167 residues in 40 ms (Link to these results)