A0A087X9D5_POEFO Loading...

NADPH oxidase organizer 1b

AlphaFold DB , UniProt , Accession A0A087X9D5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 330 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
1M37.5Very low40.5Very low248 Ų248151.8 Ų151.8100%1.22283%0.832SS**  0145.80-78.3176.8-10100108.2
2I36.6Very low40.4Very low146 Ų146147.6 Ų147.675%0.74983%0.832SS**  trans-79.8144.2-178.4-63.7154.3000109.1M4I2-M4 HydrophobicContact CG2-CG 4.11Å; I2-M4 HydrophobicContact CG2-SD 4.36Å
3L38.1Very low40.1Very low176 Ų176143 Ų14392%0.92184%0.838SS**  trans-144.6135.9140.8-96.3174000108.6
4M37.6Very low39.6Very low155 Ų155137.9 Ų137.976%0.76483%0.83SS**  trans-125.9171.6179.8-71.9170.362.900108.9I2I2-M4 HydrophobicContact CG2-CG 4.11Å; I2-M4 HydrophobicContact CG2-SD 4.36Å
5S45.1Very low39.5Very low118 Ų118135.3 Ų135.383%0.82583%0.83SS**  trans77.1137.3176.5-500000113.7
6D39.7Very low39.7Very low149 Ų149142.1 Ų142.180%0.79784%0.836SS**  cis-134.9160.741.8-154-128.1000116.2
7E42.8Very low39.8Very low170 Ų170140.4 Ų140.479%0.79483%0.833SS**  trans-31.1165.6173-103.216557.900120.5
8A45.2Very low39.9Very low73 Ų73141.9 Ų141.960%0.60383%0.83SS**  cis-149.3154.613.800000115.3
9Q45.1Very low40.3Very low176 Ų176144.6 Ų144.682%0.82283%0.834SS**  trans24.6124.3140.7-61.7168.1-36.800120.9
10D37.9Very low40.3Very low167 Ų167143.7 Ų143.789%0.89383%0.831SS**  -159.7163.684-144.1-27.5000111.8
11A40.1Very low40.5Very low92 Ų92139.5 Ų139.576%0.7682%0.818SS**  trans-113.9130.4-163.600000114.9
12A38.7Very low40.8Very low101 Ų101133 Ų13384%0.83580%0.797SS**  trans-153.7120.3152.900000110.6G14A12-G14 PolarHBondContact O-N 3.42Å
13G36.7Very low41Very low88 Ų88131.9 Ų131.991%0.90780%0.797SS**  trans-73.6111.9-173.400000113.7
14G33.2Very low41.7Very low71 Ų71129 Ų12973%0.73279%0.787SS**  trans-97.785.3161.300000110.3A12 R16A12-G14 PolarHBondContact O-N 3.42Å; G14-R16 PolarHBondContact O-N 3.3Å
15A38.5Very low42Very low100 Ų100129.3 Ų129.383%0.82679%0.786SS**  trans-59.2109171.400000108.6S17A15-S17 PolarHBondContact O-N 3.46Å
16R43.1Very low42Very low243 Ų243129.5 Ų129.592%0.91778%0.784SS**  trans-66.282.4171.9-80.3-179.6162.9-173.5-4.9108.4G14 Q18G14-R16 PolarHBondContact O-N 3.3Å; R16-Q18 PolarHBondContact O-N 2.83Å
17S40.7Very low42.9Very low113 Ų113129.8 Ų129.879%0.7978%0.779SS**  trans-53.9112.8164.3-172.70000106.4A15 Q19A15-S17 PolarHBondContact O-N 3.46Å; S17-Q19 PolarHBondContact O-N 3.08Å; S17-Q19 VanDerWaalsContact O-N 3.1Å
18Q42.7Very low44Very low168 Ų168127.9 Ų127.979%0.78578%0.779SS**  trans-58.3120.9177.5-71.1170.2-7.700106.5R16 V20R16-Q18 PolarHBondContact O-N 2.83Å; Q18-V20 PolarHBondContact O-N 3.37Å
19Q47.5Very low45.6Very low193 Ų193126.1 Ų126.190%0.90276%0.76SS**  trans-70.878.3176.1-172169.3-47.200107.6S17 G21S17-Q19 PolarHBondContact O-N 3.08Å; S17-Q19 VanDerWaalsContact O-N 3.1Å; Q19-G21 PolarHBondContact O-N 3.46Å
20V40.3Very low47.6Very low127 Ų127122.2 Ų122.277%0.7775%0.745SS**  trans-53.7116.2173.5178.30000105.8Q18 S22Q18-V20 PolarHBondContact O-N 3.37Å; V20-S22 PolarHBondContact O-N 3.4Å
21G44.5Very low50Low55 Ų55116.3 Ų116.357%0.56772%0.715SS**  trans-52.4129.9-171.100000110Q19 V23Q19-G21 PolarHBondContact O-N 3.46Å; G21-V23 PolarHBondContact O-N 3.49Å
22S43.2Very low52.5Low111 Ų111112.5 Ų112.578%0.77668%0.681SS**  trans-58106.1169.2-173.20000106.8V20 T24V20-S22 PolarHBondContact O-N 3.4Å; S22-T24 PolarHBondContact O-N 2.6Å
23V41.3Very low55.1Low124 Ų124112 Ų11275%0.75266%0.657SS**  trans-62.5107.5176.5177.20000105.5G21 H25G21-V23 PolarHBondContact O-N 3.49Å; V23-H25 PolarHBondContact O-N 2.84Å; V23-H25 VanDerWaalsContact O-N 3.12Å
24T52.1Low57.7Low116 Ų116107.9 Ų107.971%0.71261%0.614SS**  trans-56120.8179.146.20000107.2S22S22-T24 PolarHBondContact O-N 2.6Å
25H43.3Very low60.3Low161 Ų161107.7 Ų107.775%0.74560%0.599SS**  trans-56.6139.8177.2-69.549.7000107.9V23 F27V23-H25 PolarHBondContact O-N 2.84Å; V23-H25 VanDerWaalsContact O-N 3.12Å; H25-F27 PolarHBondContact O-N 3.48Å
26P46.6Very low62.7Low121 Ų121103.6 Ų103.679%0.78657%0.565SS**  trans-60.9105.2179.124.9-33000108.4V28P26-V28 PolarHBondContact O-N 3.01Å
27F57.7Low65Low156 Ų15696.6 Ų96.668%0.68455%0.551SS**  trans-78.7115.7170.468-83.9000106.3H25 T29H25-F27 PolarHBondContact O-N 3.48Å; F27-T29 HydrophobicContact CD2-CG2 3.99Å; F27-T29 HydrophobicContact CE2-CG2 3.73Å; F27-T29 PolarHBondContact O-N 3.11Å
28V66.6Low67.3Low130 Ų13093.2 Ų93.279%0.78852%0.521SS*.  trans-79.6114.8172.4-177.70000106.1P26P26-V28 PolarHBondContact O-N 3.01Å
29T78.9Confident69.5Low36 Ų3690 Ų9022%0.22151%0.506CS..PPolyproline II helixtrans-66.8146.9168.244.70000108.9F27 D57 L59F27-T29 HydrophobicContact CD2-CG2 3.99Å; F27-T29 HydrophobicContact CE2-CG2 3.73Å; F27-T29 PolarHBondContact O-N 3.11Å; T29-D57 WeakPolarHBondContact CB-OD1 3.31Å; T29-D57 HydrophobicContact CG2-CB 4.37Å; T29-D57 VanDerWaalsContact OG1-CG 3.29Å; T29-D57 PolarHBondContact OG1-OD1 2.91Å; T29-L59 HydrophobicContact CG2-CD1 3.86Å; T29-L59 HydrophobicContact CG2-CG 3.99Å
30L85.4Confident71.4Confident93 Ų9381.6 Ų81.649%0.48747%0.468SS..EExtended strand (participates in β ladder)trans-93.5127.8170.4-69.3175.3000107.8Y32 V58 L86L30-Y32 HydrophobicContact CB-CD2 4.27Å; L30-Y32 HydrophobicContact CB-CE2 3.75Å; L30-Y32 WeakPolarHBondContact O-CD2 3.26Å; L30-V58 PolarHBondContact O-N 3.19Å; L30-L86 HydrophobicContact CD1-CD2 4.47Å
31T90.1Very high73.6Confident43 Ų4383.8 Ų83.826%0.26446%0.462SS..EExtended strand (participates in β ladder)trans-78.3128.3174.6-44.50000109.8K55 D57 C87T31-K55 HydrophobicContact CG2-CB 3.83Å; T31-K55 HydrophobicContact CG2-CD 4.18Å; T31-K55 HydrophobicContact CG2-CG 4.18Å; T31-D57 PolarHBondContact OG1-OD1 3.41Å; T31-C87 HydrophobicContact CG2-CB 4.49Å; T31-C87 WeakPolarHBondContact O-CB 3.29Å; T31-C87 PolarHBondContact O-N 3.4Å; T31-C87 VanDerWaalsContact O-N 3.14Å
32Y91.4Very high75.6Confident13 Ų1381.5 Ų81.55%0.05144%0.437CS..EExtended strand (participates in β ladder)trans-114.1152.6175.5-80.4-105.4000109.9L30 K55 L56 V58 K61 W67 L84 E85 L86L30-Y32 HydrophobicContact CB-CD2 4.27Å; L30-Y32 HydrophobicContact CB-CE2 3.75Å; L30-Y32 WeakPolarHBondContact O-CD2 3.26Å; Y32-K55 CarbonylContact O-C 3.59Å; Y32-K55 WeakPolarHBondContact O-CA 3.44Å; Y32-L56 PolarHBondContact N-O 2.88Å; Y32-L56 PolarHBondContact O-N 2.96Å; Y32-V58 HydrophobicContact CD2-CB 3.81Å; Y32-V58 HydrophobicContact CD2-CG2 3.22Å; Y32-V58 HydrophobicContact CE2-CB 3.98Å; Y32-V58 HydrophobicContact CE2-CG2 3.74Å; Y32-V58 HydrophobicContact CG-CG2 3.68Å; Y32-K61 WeakPolarHBondContact OH-CE 3.34Å; Y32-K61 PolarHBondContact OH-NZ 3.28Å; Y32-W67 AromaticContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CE1-CH2 4.19Å; Y32-W67 AromaticContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE2-CZ3 4.44Å; Y32-W67 AromaticContact CZ-CZ3 3.81Å; Y32-L84 HydrophobicContact CD1-CB 3.83Å; Y32-L84 HydrophobicContact CG-CB 4.27Å; Y32-E85 CarbonylContact C-O 3.55Å; Y32-E85 WeakPolarHBondContact CA-O 3.38Å; Y32-E85 VanDerWaalsContact CB-O 3.31Å; Y32-E85 WeakPolarHBondContact CB-O 3.41Å; Y32-E85 WeakPolarHBondContact CD1-O 3.17Å; Y32-L86 HydrophobicContact CD1-CD2 4.49Å; Y32-L86 HydrophobicContact CD1-CG 4.38Å; Y32-L86 HydrophobicContact CD2-CD2 4.37Å; Y32-L86 HydrophobicContact CE1-CB 4.31Å; Y32-L86 HydrophobicContact CE1-CD2 3.8Å; Y32-L86 HydrophobicContact CE1-CG 3.59Å; Y32-L86 HydrophobicContact CE2-CD2 3.7Å; Y32-L86 HydrophobicContact CE2-CG 4.42Å; Y32-L86 VanDerWaalsContact OH-CD2 3.28Å; Y32-L86 WeakPolarHBondContact OH-CD2 3.5Å; Y32-L86 WeakPolarHBondContact OH-CG 3.25Å
33R92.4Very high77.1Confident91 Ų9179.8 Ų79.834%0.34342%0.422SS..EExtended strand (participates in β ladder)trans-104.1137.2175.8-171.9176.371.3154.1-13.2110.1V35 D53 E85 C87R33-V35 PolarHBondContact O-N 3.48Å; R33-D53 VanDerWaalsContact CD-OD1 3.31Å; R33-D53 WeakPolarHBondContact CD-OD1 3.19Å; R33-D53 HydrophobicContact CG-CB 4.45Å; R33-D53 IonicContact CZ-OD1 2.62Å; R33-D53 IonicContact NE-OD1 3.46Å; R33-D53 IonicContact NH1-OD1 2.68Å; R33-D53 PolarHBondContact NH1-OD1 2.7Å; R33-E85 IonicContact CZ-OE2 3.85Å; R33-E85 PolarHBondContact N-O 3.31Å; R33-E85 IonicContact NE-OE2 2.71Å; R33-E85 PolarHBondContact NE-OE2 3.01Å; R33-E85 IonicContact NH2-OE2 3.73Å; R33-E85 PolarHBondContact NH2-OE2 3.42Å; R33-E85 PolarHBondContact O-N 3.44Å; R33-C87 HydrophobicContact CB-CB 4.23Å
34C91.3Very high78.8Confident0 Ų080.7 Ų80.70%042%0.416CS..EExtended strand (participates in β ladder)trans-77.2118.5175-65.80000111.1A36 A50 A51 A52 D53 D54 L56 Y83C34-A36 VanDerWaalsContact C-N 3.3Å; C34-A36 PolarHBondContact O-N 2.93Å; C34-A50 HydrophobicContact CB-CB 4.41Å; C34-A51 WeakPolarHBondContact CB-O 3.22Å; C34-A52 CarbonylContact O-C 3.46Å; C34-A52 WeakPolarHBondContact O-CA 3.31Å; C34-D53 PolarHBondContact O-N 3.11Å; C34-D54 HydrophobicContact CB-CB 4.25Å; C34-D54 PolarHBondContact N-O 2.7Å; C34-D54 PolarHBondContact SG-O 2.76Å; C34-D54 VanDerWaalsContact SG-O 3.37Å; C34-L56 WeakPolarHBondContact SG-CD1 3.48Å; C34-Y83 CarbonylContact C-O 3.55Å; C34-Y83 VanDerWaalsContact CA-O 3.31Å; C34-Y83 WeakPolarHBondContact CA-O 3.36Å
35V89.2Confident80.1Confident67 Ų6781.2 Ų81.241%0.40641%0.414SS..SBendtrans-78.1-15179.9-590000113.7R33 Y83 E85 P289R33-V35 PolarHBondContact O-N 3.48Å; V35-Y83 PolarHBondContact N-O 2.9Å; V35-E85 HydrophobicContact CG1-CB 3.51Å; V35-E85 HydrophobicContact CG1-CG 4.46Å; V35-P289 HydrophobicContact CG2-CG 4.34Å
36A87.8Confident81.9Confident14 Ų1478.5 Ų78.512%0.11640%0.398CS..SBendtrans-155.3151.2-179.300000110.5C34 Y38 Y83C34-A36 VanDerWaalsContact C-N 3.3Å; C34-A36 PolarHBondContact O-N 2.93Å; A36-Y38 PolarHBondContact O-N 2.83Å; A36-Y83 HydrophobicContact CB-CD1 3.85Å; A36-Y83 HydrophobicContact CB-CE1 3.83Å
37P91.4Very high83.8Confident96 Ų9677 Ų7762%0.62339%0.386SS*.  trans-64.9135.317828.1-35.2000111.2A50P37-A50 CarbonylContact C-O 3.56Å; P37-A50 VanDerWaalsContact CA-O 3.26Å; P37-A50 WeakPolarHBondContact CA-O 3.11Å
38Y89.2Confident85.2Confident43 Ų4369.8 Ų69.817%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-143.5136.7-177.9-173.1-105.4000112.2A36 T40 K49 A50 W66 F79 P80 Y83 V291A36-Y38 PolarHBondContact O-N 2.83Å; Y38-T40 HydrophobicContact CD1-CG2 4.27Å; Y38-T40 HydrophobicContact CE1-CG2 4.08Å; Y38-K49 WeakPolarHBondContact O-CA 3.26Å; Y38-A50 PolarHBondContact N-O 3.08Å; Y38-A50 PolarHBondContact O-N 2.92Å; Y38-W66 WeakPolarHBondContact OH-CH2 3.43Å; Y38-F79 AromaticContact CD1-CD2 3.8Å; Y38-F79 HydrophobicContact CD1-CD2 3.8Å; Y38-F79 AromaticContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CG 4.37Å; Y38-F79 HydrophobicContact CD1-CZ 4.04Å; Y38-F79 HydrophobicContact CE1-CD2 4.46Å; Y38-F79 HydrophobicContact CG-CE2 4.18Å; Y38-F79 HydrophobicContact CG-CZ 4.25Å; Y38-P80 HydrophobicContact CD1-CG 4.05Å; Y38-P80 HydrophobicContact CD2-CG 4.21Å; Y38-P80 HydrophobicContact CE1-CG 3.74Å; Y38-P80 HydrophobicContact CE2-CG 3.94Å; Y38-P80 HydrophobicContact CG-CG 4.27Å; Y38-Y83 HydrophobicContact CD2-CD1 4.26Å; Y38-Y83 HydrophobicContact CD2-CE1 4.01Å; Y38-Y83 HydrophobicContact CG-CD1 4.33Å; Y38-Y83 HydrophobicContact CG-CE1 4.48Å; Y38-V291 HydrophobicContact CE2-CG2 4.26Å
39E90.2Very high86.3Confident101 Ų10169.8 Ų69.847%0.47234%0.344SS..EExtended strand (participates in β ladder)trans-116.2127.9178.4-179.3162.3-167.900111.3F48 K49E39-F48 WeakPolarHBondContact CA-O 3.39Å; E39-K49 HydrophobicContact CB-CG 4.26Å; E39-K49 HydrophobicContact CG-CG 3.94Å; E39-K49 VanDerWaalsContact OE1-CE 3.26Å; E39-K49 WeakPolarHBondContact OE1-CE 3.5Å; E39-K49 IonicContact OE1-NZ 2.84Å; E39-K49 PolarHBondContact OE1-NZ 2.97Å; E39-K49 IonicContact OE2-NZ 2.6Å; E39-K49 PolarHBondContact OE2-NZ 2.67Å
40T87.5Confident86.9Confident16 Ų1668.3 Ų68.310%0.09834%0.335CS..EExtended strand (participates in β ladder)trans-142.7-167.5-178.8-173.90000110Y38 F48 A77 W78 F79Y38-T40 HydrophobicContact CD1-CG2 4.27Å; Y38-T40 HydrophobicContact CE1-CG2 4.08Å; T40-F48 HydrophobicContact CG2-CB 4.03Å; T40-F48 HydrophobicContact CG2-CD1 3.68Å; T40-F48 HydrophobicContact CG2-CG 4.18Å; T40-F48 PolarHBondContact N-O 2.68Å; T40-F48 PolarHBondContact O-N 3.47Å; T40-A77 HydrophobicContact CG2-CB 3.96Å; T40-W78 PolarHBondContact OG1-O 3.4Å; T40-F79 HydrophobicContact CG2-CD2 4.35Å
41R86.3Confident87.1Confident173 Ų17366.1 Ų66.165%0.65333%0.331SS*.EExtended strand (participates in β ladder)trans-119.7131.1177.8-66.6177.6176.7171.4-2.9110.3R46R41-R46 WeakPolarHBondContact CA-O 3.44Å
42D85.3Confident87.1Confident7 Ų766.2 Ų66.24%0.03734%0.336CS..BIsolated β-bridgetrans-57.5154.2169.2175.8-16.9000110.1K44 N45 R46 L76D42-K44 PolarHBondContact O-N 3.21Å; D42-K44 PolarHBondContact OD1-N 3.18Å; D42-N45 WeakPolarHBondContact O-CA 3.37Å; D42-N45 PolarHBondContact O-N 3.36Å; D42-R46 HydrophobicContact CB-CB 4.47Å; D42-R46 PolarHBondContact N-O 3.39Å; D42-R46 IonicContact OD2-CZ 2.68Å; D42-R46 IonicContact OD2-NH1 2.97Å; D42-R46 IonicContact OD2-NH2 3.58Å; D42-R46 PolarHBondContact OD2-NH2 2.91Å; D42-L76 CarbonylContact C-O 3.58Å; D42-L76 VanDerWaalsContact CA-O 3.23Å; D42-L76 WeakPolarHBondContact CA-O 3.41Å
43T75.7Confident86.9Confident75 Ų7570.2 Ų70.246%0.4636%0.358SS..THydrogen-bonded Turntrans-42.9-30.9162.861.40000114.3L68 L76T43-L68 HydrophobicContact CG2-CD1 4.37Å; T43-L76 HydrophobicContact CG2-CB 3.85Å; T43-L76 PolarHBondContact N-O 3.15Å
44K77Confident86.8Confident142 Ų14268.8 Ų68.862%0.61736%0.357SS*.THydrogen-bonded Turntrans-93.220.1176.8-62.4171.8-175.3167.50113.6D42 R46D42-K44 PolarHBondContact O-N 3.21Å; D42-K44 PolarHBondContact OD1-N 3.18Å; K44-R46 PolarHBondContact O-N 2.77Å
45N79.2Confident86.8Confident127 Ų12774 Ų7468%0.67938%0.38SS*.SBendtrans59.65.5179.1-77.190.7000117.4D42D42-N45 WeakPolarHBondContact O-CA 3.37Å; D42-N45 PolarHBondContact O-N 3.36Å
46R81.5Confident87Confident105 Ų10570.9 Ų70.940%0.39636%0.361SS..  trans-72.7155171.1-66.7-169.8-55-63.8-9110.9R41 D42 K44 F48R41-R46 WeakPolarHBondContact CA-O 3.44Å; D42-R46 HydrophobicContact CB-CB 4.47Å; D42-R46 PolarHBondContact N-O 3.39Å; D42-R46 IonicContact OD2-CZ 2.68Å; D42-R46 IonicContact OD2-NH1 2.97Å; D42-R46 IonicContact OD2-NH2 3.58Å; D42-R46 PolarHBondContact OD2-NH2 2.91Å; K44-R46 PolarHBondContact O-N 2.77Å; R46-F48 PolarHBondContact O-N 3.01Å
47T85.9Confident87.1Confident88 Ų8871.7 Ų71.754%0.5436%0.363SS..EExtended strand (participates in β ladder)trans-60.1128.1168.538.90000109.8
48F87.7Confident87.1Confident5 Ų567.7 Ų67.72%0.02234%0.337CS..EExtended strand (participates in β ladder)trans-116.2121.1171.8-179.1-77.9000106.4E39 T40 R46 A50 L56 V69 R75 A77 F79E39-F48 WeakPolarHBondContact CA-O 3.39Å; T40-F48 HydrophobicContact CG2-CB 4.03Å; T40-F48 HydrophobicContact CG2-CD1 3.68Å; T40-F48 HydrophobicContact CG2-CG 4.18Å; T40-F48 PolarHBondContact N-O 2.68Å; T40-F48 PolarHBondContact O-N 3.47Å; R46-F48 PolarHBondContact O-N 3.01Å; F48-A50 HydrophobicContact CE1-CB 4.31Å; F48-L56 HydrophobicContact CE1-CD1 4.28Å; F48-L56 HydrophobicContact CZ-CD1 4.21Å; F48-L56 HydrophobicContact CZ-CD2 3.92Å; F48-V69 HydrophobicContact CZ-CG2 4.21Å; F48-R75 HydrophobicContact CD2-CB 4.08Å; F48-R75 HydrophobicContact CE2-CB 4.14Å; F48-A77 HydrophobicContact CB-CB 3.99Å; F48-A77 HydrophobicContact CD1-CB 3.75Å; F48-A77 HydrophobicContact CD2-CB 3.5Å; F48-A77 HydrophobicContact CE1-CB 4.03Å; F48-A77 HydrophobicContact CE2-CB 3.79Å; F48-A77 HydrophobicContact CG-CB 3.47Å; F48-A77 VanDerWaalsContact CG-CB 3.47Å; F48-A77 HydrophobicContact CZ-CB 4.05Å; F48-F79 HydrophobicContact CD1-CD2 4.48Å; F48-F79 AromaticContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CE2 4.13Å
49K89.7Confident87.1Confident131 Ų13168.4 Ų68.457%0.5734%0.343SS*.EExtended strand (participates in β ladder)trans-120129.7176.9-62.6174.8-170.6-92.90106.3Y38 E39Y38-K49 WeakPolarHBondContact O-CA 3.26Å; E39-K49 HydrophobicContact CB-CG 4.26Å; E39-K49 HydrophobicContact CG-CG 3.94Å; E39-K49 VanDerWaalsContact OE1-CE 3.26Å; E39-K49 WeakPolarHBondContact OE1-CE 3.5Å; E39-K49 IonicContact OE1-NZ 2.84Å; E39-K49 PolarHBondContact OE1-NZ 2.97Å; E39-K49 IonicContact OE2-NZ 2.6Å; E39-K49 PolarHBondContact OE2-NZ 2.67Å
50A90Very high87Confident5 Ų567.7 Ų67.74%0.04134%0.342CS..EExtended strand (participates in β ladder)trans-108.5136161.200000108C34 P37 Y38 F48 D54 L56 F79C34-A50 HydrophobicContact CB-CB 4.41Å; P37-A50 CarbonylContact C-O 3.56Å; P37-A50 VanDerWaalsContact CA-O 3.26Å; P37-A50 WeakPolarHBondContact CA-O 3.11Å; Y38-A50 PolarHBondContact N-O 3.08Å; Y38-A50 PolarHBondContact O-N 2.92Å; F48-A50 HydrophobicContact CE1-CB 4.31Å; A50-D54 WeakPolarHBondContact CA-OD2 3.24Å; A50-D54 HydrophobicContact CB-CB 4.22Å; A50-L56 HydrophobicContact CB-CD1 4.12Å; A50-F79 HydrophobicContact CB-CE2 3.58Å; A50-F79 HydrophobicContact CB-CZ 3.83Å
51A90.4Very high87Confident47 Ų4771.7 Ų71.739%0.38836%0.358SS..  trans-77.4176.2166.500000110.7C34 D54C34-A51 WeakPolarHBondContact CB-O 3.22Å; A51-D54 VanDerWaalsContact N-CG 3.34Å; A51-D54 PolarHBondContact N-OD2 3.46Å
52A89.6Confident86.7Confident44 Ų4466.5 Ų66.536%0.36434%0.343SS..THydrogen-bonded Turntrans-66.6149160.300000109.4C34 D54C34-A52 CarbonylContact O-C 3.46Å; C34-A52 WeakPolarHBondContact O-CA 3.31Å; A52-D54 PolarHBondContact O-N 3.01Å
53D86.9Confident86.3Confident97 Ų9772.6 Ų72.652%0.51938%0.383SS..THydrogen-bonded Turntrans65.60.3-175.9-62.5-83.3000116.5R33 C34 K55R33-D53 VanDerWaalsContact CD-OD1 3.31Å; R33-D53 WeakPolarHBondContact CD-OD1 3.19Å; R33-D53 HydrophobicContact CG-CB 4.45Å; R33-D53 IonicContact CZ-OD1 2.62Å; R33-D53 IonicContact NE-OD1 3.46Å; R33-D53 IonicContact NH1-OD1 2.68Å; R33-D53 PolarHBondContact NH1-OD1 2.7Å; C34-D53 PolarHBondContact O-N 3.11Å; D53-K55 PolarHBondContact O-N 2.99Å
54D91.6Very high86.5Confident61 Ų6172.1 Ų72.133%0.32639%0.387SS..  trans-60.3128.3173.8-866000112C34 A50 A51 A52C34-D54 HydrophobicContact CB-CB 4.25Å; C34-D54 PolarHBondContact N-O 2.7Å; C34-D54 PolarHBondContact SG-O 2.76Å; C34-D54 VanDerWaalsContact SG-O 3.37Å; A50-D54 WeakPolarHBondContact CA-OD2 3.24Å; A50-D54 HydrophobicContact CB-CB 4.22Å; A51-D54 VanDerWaalsContact N-CG 3.34Å; A51-D54 PolarHBondContact N-OD2 3.46Å; A52-D54 PolarHBondContact O-N 3.01Å
55K91.4Very high86.9Confident109 Ų10966 Ų6647%0.47437%0.365SS..EExtended strand (participates in β ladder)trans-81.7124.5174.8-70.7-171177.6-171.90111.3T31 Y32 D53 E89T31-K55 HydrophobicContact CG2-CB 3.83Å; T31-K55 HydrophobicContact CG2-CD 4.18Å; T31-K55 HydrophobicContact CG2-CG 4.18Å; Y32-K55 CarbonylContact O-C 3.59Å; Y32-K55 WeakPolarHBondContact O-CA 3.44Å; D53-K55 PolarHBondContact O-N 2.99Å; K55-E89 IonicContact NZ-OE1 3.35Å; K55-E89 PolarHBondContact NZ-OE1 3.46Å
56L91.8Very high87.4Confident2 Ų261.3 Ų61.31%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-133.4125.5-178.2-62.6-174.9000111Y32 C34 F48 A50 V69 E70 F79 L84Y32-L56 PolarHBondContact N-O 2.88Å; Y32-L56 PolarHBondContact O-N 2.96Å; C34-L56 WeakPolarHBondContact SG-CD1 3.48Å; F48-L56 HydrophobicContact CE1-CD1 4.28Å; F48-L56 HydrophobicContact CZ-CD1 4.21Å; F48-L56 HydrophobicContact CZ-CD2 3.92Å; A50-L56 HydrophobicContact CB-CD1 4.12Å; L56-V69 HydrophobicContact CB-CB 4.14Å; L56-V69 HydrophobicContact CB-CG1 4.35Å; L56-V69 HydrophobicContact CD1-CB 4.38Å; L56-V69 HydrophobicContact CD1-CG2 3.98Å; L56-E70 WeakPolarHBondContact CA-O 3.49Å; L56-F79 HydrophobicContact CD1-CD2 4.18Å; L56-F79 HydrophobicContact CD1-CE2 4.07Å; L56-F79 HydrophobicContact CD1-CG 4.49Å; L56-F79 HydrophobicContact CD1-CZ 4.25Å; L56-L84 HydrophobicContact CD1-CD2 4.14Å
57D91.3Very high87.9Confident32 Ų3258.4 Ų58.417%0.17133%0.326CS..EExtended strand (participates in β ladder)trans-74.8123.8176-86.6-52.1000111T29 T31 L59 V69 E70T29-D57 WeakPolarHBondContact CB-OD1 3.31Å; T29-D57 HydrophobicContact CG2-CB 4.37Å; T29-D57 VanDerWaalsContact OG1-CG 3.29Å; T29-D57 PolarHBondContact OG1-OD1 2.91Å; T31-D57 PolarHBondContact OG1-OD1 3.41Å; D57-L59 HydrophobicContact CB-CD1 4.08Å; D57-L59 VanDerWaalsContact O-CD1 3.25Å; D57-L59 WeakPolarHBondContact O-CD1 3.38Å; D57-V69 CarbonylContact O-C 3.56Å; D57-V69 WeakPolarHBondContact O-CA 3.29Å; D57-E70 HydrophobicContact CB-CB 4.17Å; D57-E70 PolarHBondContact N-O 3.37Å; D57-E70 PolarHBondContact O-N 3.04Å
58V91.2Very high88.2Confident11 Ų1155.2 Ų55.27%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-88.5114.3176.3174.90000110.8L30 Y32 K61 W67 V69 L84L30-V58 PolarHBondContact O-N 3.19Å; Y32-V58 HydrophobicContact CD2-CB 3.81Å; Y32-V58 HydrophobicContact CD2-CG2 3.22Å; Y32-V58 HydrophobicContact CE2-CB 3.98Å; Y32-V58 HydrophobicContact CE2-CG2 3.74Å; Y32-V58 HydrophobicContact CG-CG2 3.68Å; V58-K61 HydrophobicContact CG1-CD 4.38Å; V58-K61 HydrophobicContact CG1-CG 3.59Å; V58-W67 HydrophobicContact CG1-CB 4.24Å; V58-W67 HydrophobicContact CG1-CD2 4.33Å; V58-W67 HydrophobicContact CG1-CE3 4Å; V58-W67 HydrophobicContact CG1-CG 4.48Å; V58-W67 HydrophobicContact CG2-CE3 3.82Å; V58-W67 HydrophobicContact CG2-CZ3 4.43Å; V58-V69 HydrophobicContact CG2-CG1 3.86Å; V58-L84 HydrophobicContact CG2-CD1 4.15Å
59L88.3Confident88.4Confident58 Ų5855 Ų5530%0.30431%0.305SS..EExtended strand (participates in β ladder)trans-93.4-37.5179.5-78.268.5000112.5T29 D57 L68 E70 L76T29-L59 HydrophobicContact CG2-CD1 3.86Å; T29-L59 HydrophobicContact CG2-CG 3.99Å; D57-L59 HydrophobicContact CB-CD1 4.08Å; D57-L59 VanDerWaalsContact O-CD1 3.25Å; D57-L59 WeakPolarHBondContact O-CD1 3.38Å; L59-L68 PolarHBondContact N-O 2.62Å; L59-E70 HydrophobicContact CD1-CB 3.55Å; L59-L76 HydrophobicContact CD2-CD2 3.94Å
60I88.1Confident88.5Confident86 Ų8650.8 Ų50.844%0.44129%0.287SS..EExtended strand (participates in β ladder)trans-138126-179.2-52.8179.4000109.9W67 L68 W78I60-W67 CarbonylContact O-C 3.52Å; I60-W67 WeakPolarHBondContact O-CA 3.38Å; I60-W67 WeakPolarHBondContact O-CB 3.46Å; I60-L68 HydrophobicContact CB-CB 3.84Å; I60-L68 HydrophobicContact CD1-CB 4.33Å; I60-L68 HydrophobicContact CD1-CD2 3.73Å; I60-L68 HydrophobicContact CG1-CB 4.12Å; I60-L68 HydrophobicContact CG1-CD2 4.09Å; I60-L68 PolarHBondContact N-O 3.48Å; I60-L68 PolarHBondContact O-N 3.43Å; I60-W78 HydrophobicContact CB-CH2 4.5Å; I60-W78 HydrophobicContact CG2-CH2 4.37Å
61K87.3Confident88.5Confident100 Ų10051.6 Ų51.644%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-100.295.4173.1-66.3-178.3175.11750110.5Y32 V58 W67Y32-K61 WeakPolarHBondContact OH-CE 3.34Å; Y32-K61 PolarHBondContact OH-NZ 3.28Å; V58-K61 HydrophobicContact CG1-CD 4.38Å; V58-K61 HydrophobicContact CG1-CG 3.59Å; K61-W67 VanDerWaalsContact CA-CD1 3.49Å; K61-W67 HydrophobicContact CB-CD2 4.38Å; K61-W67 HydrophobicContact CB-CG 4.42Å; K61-W67 HydrophobicContact CD-CH2 4.32Å; K61-W67 HydrophobicContact CD-CZ2 4.13Å; K61-W67 HydrophobicContact CG-CD2 3.88Å; K61-W67 HydrophobicContact CG-CE3 4.3Å; K61-W67 HydrophobicContact CG-CG 4.22Å; K61-W67 HydrophobicContact CG-CZ2 4.18Å
62D80.5Confident88.4Confident64 Ų6458 Ų5834%0.34232%0.315SS..  trans-74.6134.5172.6-162.3-75.2000110.8A64 G65 W66 W67 W78D62-A64 PolarHBondContact O-N 2.96Å; D62-A64 WeakPolarHBondContact OD1-CB 3.5Å; D62-A64 PolarHBondContact OD1-N 2.84Å; D62-G65 PolarHBondContact O-N 2.83Å; D62-W66 WeakPolarHBondContact CB-O 3.36Å; D62-W67 PolarHBondContact O-NE1 3.04Å; D62-W78 HydrophobicContact CB-CZ3 4.34Å
63P77.8Confident88.3Confident135 Ų13560.6 Ų60.688%0.87732%0.322SS*.THydrogen-bonded Turntrans-65.2-15.1177.327.5-36.1000114G65P63-G65 PolarHBondContact O-N 2.79Å
64A78.8Confident88.3Confident65 Ų6562 Ų6254%0.53732%0.324SS..THydrogen-bonded Turntrans-75.52.7170.400000113.7D62D62-A64 PolarHBondContact O-N 2.96Å; D62-A64 WeakPolarHBondContact OD1-CB 3.5Å; D62-A64 PolarHBondContact OD1-N 2.84Å
65G86.3Confident88.1Confident15 Ų1563.3 Ų63.316%0.15532%0.324CS..SBendtrans81.418.1175.300000114.7D62 P63 A81D62-G65 PolarHBondContact O-N 2.83Å; P63-G65 PolarHBondContact O-N 2.79Å; G65-A81 WeakPolarHBondContact O-CB 3.1Å; G65-A81 PolarHBondContact O-N 3.28Å
66W89.4Confident88.1Confident28 Ų2860.5 Ų60.511%0.10631%0.314CS..EExtended strand (participates in β ladder)trans-113.2114.4171.7-72.284.1000108.8Y38 D62 W78 V291 P292 R294Y38-W66 WeakPolarHBondContact OH-CH2 3.43Å; D62-W66 WeakPolarHBondContact CB-O 3.36Å; W66-W78 HydrophobicContact CB-CE3 4.19Å; W66-W78 HydrophobicContact CE3-CB 4.27Å; W66-W78 VanDerWaalsContact O-CZ3 3.23Å; W66-W78 WeakPolarHBondContact O-CZ3 3.23Å; W66-V291 HydrophobicContact CH2-CG1 4.37Å; W66-V291 HydrophobicContact CZ2-CG1 4.21Å; W66-P292 WeakPolarHBondContact CZ2-O 3.46Å; W66-R294 HydrophobicContact CH2-CB 4.32Å; W66-R294 HydrophobicContact CZ2-CB 3.76Å; W66-R294 HydrophobicContact CZ2-CG 4.42Å
67W92.5Very high88.1Confident44 Ų4460.4 Ų60.417%0.16731%0.313CS..EExtended strand (participates in β ladder)trans-104.4141.4-176.7-64.6-3.6000110.5Y32 V58 I60 K61 D62 W78 F79 A81 L84Y32-W67 AromaticContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CE1-CH2 4.19Å; Y32-W67 AromaticContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE2-CZ3 4.44Å; Y32-W67 AromaticContact CZ-CZ3 3.81Å; V58-W67 HydrophobicContact CG1-CB 4.24Å; V58-W67 HydrophobicContact CG1-CD2 4.33Å; V58-W67 HydrophobicContact CG1-CE3 4Å; V58-W67 HydrophobicContact CG1-CG 4.48Å; V58-W67 HydrophobicContact CG2-CE3 3.82Å; V58-W67 HydrophobicContact CG2-CZ3 4.43Å; I60-W67 CarbonylContact O-C 3.52Å; I60-W67 WeakPolarHBondContact O-CA 3.38Å; I60-W67 WeakPolarHBondContact O-CB 3.46Å; K61-W67 VanDerWaalsContact CA-CD1 3.49Å; K61-W67 HydrophobicContact CB-CD2 4.38Å; K61-W67 HydrophobicContact CB-CG 4.42Å; K61-W67 HydrophobicContact CD-CH2 4.32Å; K61-W67 HydrophobicContact CD-CZ2 4.13Å; K61-W67 HydrophobicContact CG-CD2 3.88Å; K61-W67 HydrophobicContact CG-CE3 4.3Å; K61-W67 HydrophobicContact CG-CG 4.22Å; K61-W67 HydrophobicContact CG-CZ2 4.18Å; D62-W67 PolarHBondContact O-NE1 3.04Å; W67-W78 VanDerWaalsContact C-CE3 3.49Å; W67-W78 WeakPolarHBondContact O-CA 3.18Å; W67-F79 PolarHBondContact N-O 3.07Å; W67-F79 PolarHBondContact O-N 2.91Å; W67-A81 HydrophobicContact CD2-CB 3.69Å; W67-A81 VanDerWaalsContact CE2-CB 3.42Å; W67-A81 HydrophobicContact CE3-CB 4.19Å; W67-A81 HydrophobicContact CG-CB 4.09Å; W67-A81 HydrophobicContact CH2-CB 4.2Å; W67-A81 HydrophobicContact CZ2-CB 3.72Å; W67-A81 HydrophobicContact CZ3-CB 4.4Å; W67-L84 HydrophobicContact CB-CD1 4.32Å; W67-L84 HydrophobicContact CE3-CB 4.42Å; W67-L84 HydrophobicContact CE3-CD1 3.77Å; W67-L84 HydrophobicContact CZ3-CB 4.36Å; W67-L84 HydrophobicContact CZ3-CD1 4.5Å
68L91.1Very high88.1Confident21 Ų2162.9 Ų62.911%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-82.6117.1172.1-173.669.8000107.5T43 L59 I60 L76 A77 W78T43-L68 HydrophobicContact CG2-CD1 4.37Å; L59-L68 PolarHBondContact N-O 2.62Å; I60-L68 HydrophobicContact CB-CB 3.84Å; I60-L68 HydrophobicContact CD1-CB 4.33Å; I60-L68 HydrophobicContact CD1-CD2 3.73Å; I60-L68 HydrophobicContact CG1-CB 4.12Å; I60-L68 HydrophobicContact CG1-CD2 4.09Å; I60-L68 PolarHBondContact N-O 3.48Å; I60-L68 PolarHBondContact O-N 3.43Å; L68-L76 HydrophobicContact CD1-CB 4.37Å; L68-A77 WeakPolarHBondContact CA-O 3.31Å; L68-W78 HydrophobicContact CB-CD2 4.37Å; L68-W78 HydrophobicContact CB-CE3 4.08Å; L68-W78 HydrophobicContact CB-CH2 3.95Å; L68-W78 HydrophobicContact CB-CZ2 4.21Å; L68-W78 HydrophobicContact CB-CZ3 3.86Å; L68-W78 HydrophobicContact CD1-CD2 4.18Å; L68-W78 HydrophobicContact CD1-CG 4.43Å; L68-W78 HydrophobicContact CD1-CZ2 4.33Å
69V92.5Very high88.1Confident0 Ų062.4 Ų62.40%032%0.317CS..EExtended strand (participates in β ladder)trans-114.9146.4-179.4-65.60000111.9F48 L56 D57 V58 L76 A77 F79 L84F48-V69 HydrophobicContact CZ-CG2 4.21Å; L56-V69 HydrophobicContact CB-CB 4.14Å; L56-V69 HydrophobicContact CB-CG1 4.35Å; L56-V69 HydrophobicContact CD1-CB 4.38Å; L56-V69 HydrophobicContact CD1-CG2 3.98Å; D57-V69 CarbonylContact O-C 3.56Å; D57-V69 WeakPolarHBondContact O-CA 3.29Å; V58-V69 HydrophobicContact CG2-CG1 3.86Å; V69-L76 VanDerWaalsContact O-CA 3.29Å; V69-L76 WeakPolarHBondContact O-CA 3.43Å; V69-A77 WeakPolarHBondContact CG2-O 3.24Å; V69-A77 PolarHBondContact N-O 2.83Å; V69-A77 PolarHBondContact O-N 3.12Å; V69-F79 HydrophobicContact CG1-CB 4.23Å; V69-F79 HydrophobicContact CG2-CB 3.6Å; V69-F79 HydrophobicContact CG2-CD2 4.39Å; V69-F79 HydrophobicContact CG2-CG 4.2Å; V69-L84 HydrophobicContact CG1-CD1 3.74Å
70E91.9Very high88.3Confident42 Ų4259.6 Ų59.620%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-103.9126.3165.5-176.2165.7-104.800109.6L56 D57 L59 K74 R75 L76L56-E70 WeakPolarHBondContact CA-O 3.49Å; D57-E70 HydrophobicContact CB-CB 4.17Å; D57-E70 PolarHBondContact N-O 3.37Å; D57-E70 PolarHBondContact O-N 3.04Å; L59-E70 HydrophobicContact CD1-CB 3.55Å; E70-K74 HydrophobicContact CG-CD 3.93Å; E70-K74 WeakPolarHBondContact OE2-CD 3.4Å; E70-K74 WeakPolarHBondContact OE2-CE 3.45Å; E70-K74 IonicContact OE2-NZ 2.67Å; E70-K74 PolarHBondContact OE2-NZ 3.06Å; E70-R75 WeakPolarHBondContact CA-O 3.23Å; E70-L76 HydrophobicContact CB-CD2 3.62Å; E70-L76 HydrophobicContact CG-CD2 4.01Å
71S90.9Very high88.3Confident23 Ų2356.3 Ų56.316%0.16129%0.289CS..EExtended strand (participates in β ladder)trans-81158167.9170.20000110.5D73 K74 R75S71-D73 PolarHBondContact O-N 3Å; S71-D73 PolarHBondContact OG-N 2.94Å; S71-K74 WeakPolarHBondContact O-CA 3.45Å; S71-K74 PolarHBondContact O-N 3.23Å; S71-R75 PolarHBondContact N-O 2.81Å
72E87.9Confident88.4Confident182 Ų18254.2 Ų54.285%0.8529%0.285SS*.THydrogen-bonded Turntrans-42.7-39.1169-175.3177.6-162.400112.4K74E72-K74 PolarHBondContact O-N 3.37Å
73D87Confident88.8Confident97 Ų9752.3 Ų52.352%0.51927%0.273SS..THydrogen-bonded Turntrans-63.73.8175.4-121.313.1000115.1S71 R75S71-D73 PolarHBondContact O-N 3Å; S71-D73 PolarHBondContact OG-N 2.94Å; D73-R75 HydrophobicContact CB-CG 4.1Å; D73-R75 PolarHBondContact O-N 3.07Å; D73-R75 IonicContact OD2-CZ 3.61Å; D73-R75 IonicContact OD2-NE 2.83Å; D73-R75 PolarHBondContact OD2-NE 3.14Å; D73-R75 IonicContact OD2-NH1 2.7Å; D73-R75 IonicContact OD2-NH2 3.45Å; D73-R75 PolarHBondContact OD2-NH2 3.09Å
74K86.4Confident89.4Confident127 Ų12746.5 Ų46.555%0.55224%0.235SC*.SBendtrans49.939.4-172-57.7-56.5-179-1700113.3E70 S71 E72E70-K74 HydrophobicContact CG-CD 3.93Å; E70-K74 WeakPolarHBondContact OE2-CD 3.4Å; E70-K74 WeakPolarHBondContact OE2-CE 3.45Å; E70-K74 IonicContact OE2-NZ 2.67Å; E70-K74 PolarHBondContact OE2-NZ 3.06Å; S71-K74 WeakPolarHBondContact O-CA 3.45Å; S71-K74 PolarHBondContact O-N 3.23Å; E72-K74 PolarHBondContact O-N 3.37Å
75R87.2Confident89.8Confident89 Ų8947.7 Ų47.734%0.33623%0.229SC..  trans-103.6132174.9-66.8177.2-166.317916.9109.9F48 E70 S71 D73F48-R75 HydrophobicContact CD2-CB 4.08Å; F48-R75 HydrophobicContact CE2-CB 4.14Å; E70-R75 WeakPolarHBondContact CA-O 3.23Å; S71-R75 PolarHBondContact N-O 2.81Å; D73-R75 HydrophobicContact CB-CG 4.1Å; D73-R75 PolarHBondContact O-N 3.07Å; D73-R75 IonicContact OD2-CZ 3.61Å; D73-R75 IonicContact OD2-NE 2.83Å; D73-R75 PolarHBondContact OD2-NE 3.14Å; D73-R75 IonicContact OD2-NH1 2.7Å; D73-R75 IonicContact OD2-NH2 3.45Å; D73-R75 PolarHBondContact OD2-NH2 3.09Å
76L90.9Very high89.9Confident49 Ų4950.6 Ų50.626%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-101.1126.3-178.8-62178.8000110.8D42 T43 L59 L68 V69 E70D42-L76 CarbonylContact C-O 3.58Å; D42-L76 VanDerWaalsContact CA-O 3.23Å; D42-L76 WeakPolarHBondContact CA-O 3.41Å; T43-L76 HydrophobicContact CG2-CB 3.85Å; T43-L76 PolarHBondContact N-O 3.15Å; L59-L76 HydrophobicContact CD2-CD2 3.94Å; L68-L76 HydrophobicContact CD1-CB 4.37Å; V69-L76 VanDerWaalsContact O-CA 3.29Å; V69-L76 WeakPolarHBondContact O-CA 3.43Å; E70-L76 HydrophobicContact CB-CD2 3.62Å; E70-L76 HydrophobicContact CG-CD2 4.01Å
77A91.9Very high89Confident0 Ų050.6 Ų50.60%025%0.245CC..EExtended strand (participates in β ladder)trans-138.1154.5176.700000112.3T40 F48 L68 V69T40-A77 HydrophobicContact CG2-CB 3.96Å; F48-A77 HydrophobicContact CB-CB 3.99Å; F48-A77 HydrophobicContact CD1-CB 3.75Å; F48-A77 HydrophobicContact CD2-CB 3.5Å; F48-A77 HydrophobicContact CE1-CB 4.03Å; F48-A77 HydrophobicContact CE2-CB 3.79Å; F48-A77 HydrophobicContact CG-CB 3.47Å; F48-A77 VanDerWaalsContact CG-CB 3.47Å; F48-A77 HydrophobicContact CZ-CB 4.05Å; L68-A77 WeakPolarHBondContact CA-O 3.31Å; V69-A77 WeakPolarHBondContact CG2-O 3.24Å; V69-A77 PolarHBondContact N-O 2.83Å; V69-A77 PolarHBondContact O-N 3.12Å
78W91.6Very high87.3Confident85 Ų8553.7 Ų53.732%0.32227%0.265SS..EExtended strand (participates in β ladder)trans-87.3121.1167.1-72.4100.7000109.1T40 I60 D62 W66 W67 L68T40-W78 PolarHBondContact OG1-O 3.4Å; I60-W78 HydrophobicContact CB-CH2 4.5Å; I60-W78 HydrophobicContact CG2-CH2 4.37Å; D62-W78 HydrophobicContact CB-CZ3 4.34Å; W66-W78 HydrophobicContact CB-CE3 4.19Å; W66-W78 HydrophobicContact CE3-CB 4.27Å; W66-W78 VanDerWaalsContact O-CZ3 3.23Å; W66-W78 WeakPolarHBondContact O-CZ3 3.23Å; W67-W78 VanDerWaalsContact C-CE3 3.49Å; W67-W78 WeakPolarHBondContact O-CA 3.18Å; L68-W78 HydrophobicContact CB-CD2 4.37Å; L68-W78 HydrophobicContact CB-CE3 4.08Å; L68-W78 HydrophobicContact CB-CH2 3.95Å; L68-W78 HydrophobicContact CB-CZ2 4.21Å; L68-W78 HydrophobicContact CB-CZ3 3.86Å; L68-W78 HydrophobicContact CD1-CD2 4.18Å; L68-W78 HydrophobicContact CD1-CG 4.43Å; L68-W78 HydrophobicContact CD1-CZ2 4.33Å
79F91.6Very high85.3Confident0 Ų059.2 Ų59.20%029%0.29CS..EExtended strand (participates in β ladder)trans-128.9138.5-168.8-158.7-85.8000110.3Y38 T40 F48 A50 L56 W67 V69 A81 L84Y38-F79 AromaticContact CD1-CD2 3.8Å; Y38-F79 HydrophobicContact CD1-CD2 3.8Å; Y38-F79 AromaticContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CG 4.37Å; Y38-F79 HydrophobicContact CD1-CZ 4.04Å; Y38-F79 HydrophobicContact CE1-CD2 4.46Å; Y38-F79 HydrophobicContact CG-CE2 4.18Å; Y38-F79 HydrophobicContact CG-CZ 4.25Å; T40-F79 HydrophobicContact CG2-CD2 4.35Å; F48-F79 HydrophobicContact CD1-CD2 4.48Å; F48-F79 AromaticContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CE2 4.13Å; A50-F79 HydrophobicContact CB-CE2 3.58Å; A50-F79 HydrophobicContact CB-CZ 3.83Å; L56-F79 HydrophobicContact CD1-CD2 4.18Å; L56-F79 HydrophobicContact CD1-CE2 4.07Å; L56-F79 HydrophobicContact CD1-CG 4.49Å; L56-F79 HydrophobicContact CD1-CZ 4.25Å; W67-F79 PolarHBondContact N-O 3.07Å; W67-F79 PolarHBondContact O-N 2.91Å; V69-F79 HydrophobicContact CG1-CB 4.23Å; V69-F79 HydrophobicContact CG2-CB 3.6Å; V69-F79 HydrophobicContact CG2-CD2 4.39Å; V69-F79 HydrophobicContact CG2-CG 4.2Å; F79-A81 PolarHBondContact O-N 2.76Å; F79-L84 HydrophobicContact CB-CD1 4.46Å; F79-L84 HydrophobicContact CD1-CD1 3.79Å; F79-L84 HydrophobicContact CD1-CD2 3.58Å; F79-L84 HydrophobicContact CD1-CG 3.55Å; F79-L84 HydrophobicContact CE1-CD2 3.53Å; F79-L84 HydrophobicContact CE1-CG 3.81Å; F79-L84 HydrophobicContact CZ-CD2 4.46Å
80P91.6Very high83.1Confident0 Ų067.6 Ų67.60%033%0.329CS..EExtended strand (participates in β ladder)trans-70.6125.8-176.127.4-34.2000111.2Y38 P82 Y83 V291Y38-P80 HydrophobicContact CD1-CG 4.05Å; Y38-P80 HydrophobicContact CD2-CG 4.21Å; Y38-P80 HydrophobicContact CE1-CG 3.74Å; Y38-P80 HydrophobicContact CE2-CG 3.94Å; Y38-P80 HydrophobicContact CG-CG 4.27Å; P80-P82 VanDerWaalsContact C-N 3.33Å; P80-Y83 HydrophobicContact CB-CD2 4.16Å; P80-Y83 HydrophobicContact CG-CD2 3.68Å; P80-Y83 HydrophobicContact CG-CE2 4.33Å; P80-Y83 HydrophobicContact CG-CG 3.99Å; P80-Y83 WeakPolarHBondContact O-CB 3.45Å; P80-Y83 PolarHBondContact O-N 2.81Å; P80-V291 HydrophobicContact CB-CG1 4.24Å
81A88.9Confident80.9Confident17 Ų1774.4 Ų74.414%0.1436%0.361CS..G310 helixtrans-53.9-36.7-179.500000114.7G65 W67 F79 Y83 L84G65-A81 WeakPolarHBondContact O-CB 3.1Å; G65-A81 PolarHBondContact O-N 3.28Å; W67-A81 HydrophobicContact CD2-CB 3.69Å; W67-A81 VanDerWaalsContact CE2-CB 3.42Å; W67-A81 HydrophobicContact CE3-CB 4.19Å; W67-A81 HydrophobicContact CG-CB 4.09Å; W67-A81 HydrophobicContact CH2-CB 4.2Å; W67-A81 HydrophobicContact CZ2-CB 3.72Å; W67-A81 HydrophobicContact CZ3-CB 4.4Å; F79-A81 PolarHBondContact O-N 2.76Å; A81-Y83 PolarHBondContact O-N 2.87Å; A81-Y83 VanDerWaalsContact O-N 3.11Å; A81-L84 PolarHBondContact O-N 3.01Å
82P90.2Very high78.6Confident55 Ų5582.6 Ų82.636%0.35740%0.397SS..G310 helixtrans-62.9-16.1176.3-24.535.4000114.9P80 P289P80-P82 VanDerWaalsContact C-N 3.33Å; P82-P289 HydrophobicContact CB-CB 3.83Å; P82-P289 HydrophobicContact CB-CG 4.13Å; P82-P289 WeakPolarHBondContact O-CG 3.37Å
83Y87.6Confident76.3Confident24 Ų2483.2 Ų83.29%0.09440%0.4CS..G310 helixtrans-91.3-0.5176.7-76.3-116.9000112.4C34 V35 A36 Y38 P80 A81 P289 V291C34-Y83 CarbonylContact C-O 3.55Å; C34-Y83 VanDerWaalsContact CA-O 3.31Å; C34-Y83 WeakPolarHBondContact CA-O 3.36Å; V35-Y83 PolarHBondContact N-O 2.9Å; A36-Y83 HydrophobicContact CB-CD1 3.85Å; A36-Y83 HydrophobicContact CB-CE1 3.83Å; Y38-Y83 HydrophobicContact CD2-CD1 4.26Å; Y38-Y83 HydrophobicContact CD2-CE1 4.01Å; Y38-Y83 HydrophobicContact CG-CD1 4.33Å; Y38-Y83 HydrophobicContact CG-CE1 4.48Å; P80-Y83 HydrophobicContact CB-CD2 4.16Å; P80-Y83 HydrophobicContact CG-CD2 3.68Å; P80-Y83 HydrophobicContact CG-CE2 4.33Å; P80-Y83 HydrophobicContact CG-CG 3.99Å; P80-Y83 WeakPolarHBondContact O-CB 3.45Å; P80-Y83 PolarHBondContact O-N 2.81Å; A81-Y83 PolarHBondContact O-N 2.87Å; A81-Y83 VanDerWaalsContact O-N 3.11Å; Y83-P289 HydrophobicContact CD2-CG 3.79Å; Y83-P289 HydrophobicContact CE2-CG 3.76Å; Y83-P289 VanDerWaalsContact CE2-O 3.24Å; Y83-P289 WeakPolarHBondContact CE2-O 3.32Å; Y83-P289 HydrophobicContact CG-CG 4.29Å; Y83-P289 PolarHBondContact OH-O 3.2Å; Y83-V291 HydrophobicContact CD2-CG2 4.24Å; Y83-V291 HydrophobicContact CE2-CG2 3.3Å
84L90.2Very high74.3Confident14 Ų1488 Ų887%0.07342%0.419CS..EExtended strand (participates in β ladder)trans-116.1116-176.6-63.3172.8000110.3Y32 L56 V58 W67 V69 F79 A81Y32-L84 HydrophobicContact CD1-CB 3.83Å; Y32-L84 HydrophobicContact CG-CB 4.27Å; L56-L84 HydrophobicContact CD1-CD2 4.14Å; V58-L84 HydrophobicContact CG2-CD1 4.15Å; W67-L84 HydrophobicContact CB-CD1 4.32Å; W67-L84 HydrophobicContact CE3-CB 4.42Å; W67-L84 HydrophobicContact CE3-CD1 3.77Å; W67-L84 HydrophobicContact CZ3-CB 4.36Å; W67-L84 HydrophobicContact CZ3-CD1 4.5Å; V69-L84 HydrophobicContact CG1-CD1 3.74Å; F79-L84 HydrophobicContact CB-CD1 4.46Å; F79-L84 HydrophobicContact CD1-CD1 3.79Å; F79-L84 HydrophobicContact CD1-CD2 3.58Å; F79-L84 HydrophobicContact CD1-CG 3.55Å; F79-L84 HydrophobicContact CE1-CD2 3.53Å; F79-L84 HydrophobicContact CE1-CG 3.81Å; F79-L84 HydrophobicContact CZ-CD2 4.46Å; A81-L84 PolarHBondContact O-N 3.01Å
85E88.9Confident71.8Confident90 Ų9085 Ų8542%0.42142%0.424SS..EExtended strand (participates in β ladder)trans-100.8148.6171.5-178.4171.7-122.500109.7Y32 R33 V35 C87Y32-E85 CarbonylContact C-O 3.55Å; Y32-E85 WeakPolarHBondContact CA-O 3.38Å; Y32-E85 VanDerWaalsContact CB-O 3.31Å; Y32-E85 WeakPolarHBondContact CB-O 3.41Å; Y32-E85 WeakPolarHBondContact CD1-O 3.17Å; R33-E85 IonicContact CZ-OE2 3.85Å; R33-E85 PolarHBondContact N-O 3.31Å; R33-E85 IonicContact NE-OE2 2.71Å; R33-E85 PolarHBondContact NE-OE2 3.01Å; R33-E85 IonicContact NH2-OE2 3.73Å; R33-E85 PolarHBondContact NH2-OE2 3.42Å; R33-E85 PolarHBondContact O-N 3.44Å; V35-E85 HydrophobicContact CG1-CB 3.51Å; V35-E85 HydrophobicContact CG1-CG 4.46Å; E85-C87 PolarHBondContact O-N 3.43Å
86L86.8Confident69.6Low75 Ų7584.7 Ų84.739%0.39345%0.449SS..EExtended strand (participates in β ladder)trans-63.3126.6174.3-91.7165.2000109L30 Y32 D88L30-L86 HydrophobicContact CD1-CD2 4.47Å; Y32-L86 HydrophobicContact CD1-CD2 4.49Å; Y32-L86 HydrophobicContact CD1-CG 4.38Å; Y32-L86 HydrophobicContact CD2-CD2 4.37Å; Y32-L86 HydrophobicContact CE1-CB 4.31Å; Y32-L86 HydrophobicContact CE1-CD2 3.8Å; Y32-L86 HydrophobicContact CE1-CG 3.59Å; Y32-L86 HydrophobicContact CE2-CD2 3.7Å; Y32-L86 HydrophobicContact CE2-CG 4.42Å; Y32-L86 VanDerWaalsContact OH-CD2 3.28Å; Y32-L86 WeakPolarHBondContact OH-CD2 3.5Å; Y32-L86 WeakPolarHBondContact OH-CG 3.25Å; L86-D88 PolarHBondContact O-N 3.15Å; L86-D88 VanDerWaalsContact O-N 3.07Å
87C72.3Confident67.1Low28 Ų2888.6 Ų88.619%0.18946%0.463CS..  trans-84.478169.1-1500000106.7T31 R33 E85 E89T31-C87 HydrophobicContact CG2-CB 4.49Å; T31-C87 WeakPolarHBondContact O-CB 3.29Å; T31-C87 PolarHBondContact O-N 3.4Å; T31-C87 VanDerWaalsContact O-N 3.14Å; R33-C87 HydrophobicContact CB-CB 4.23Å; E85-C87 PolarHBondContact O-N 3.43Å; C87-E89 VanDerWaalsContact C-N 3.33Å; C87-E89 PolarHBondContact O-N 2.85Å
88D56.3Low64.6Low110 Ų11096.8 Ų96.859%0.58851%0.506SS*.  trans-67.193.5176.8-70.6-24.7000108.3L86 E90L86-D88 PolarHBondContact O-N 3.15Å; L86-D88 VanDerWaalsContact O-N 3.07Å; D88-E90 PolarHBondContact O-N 2.91Å
89E49.2Very low62.5Low137 Ų13796 Ų9664%0.6452%0.524SS*.  trans-74.151.8168.9-65.6-17716300110K55 C87K55-E89 IonicContact NZ-OE1 3.35Å; K55-E89 PolarHBondContact NZ-OE1 3.46Å; C87-E89 VanDerWaalsContact C-N 3.33Å; C87-E89 PolarHBondContact O-N 2.85Å
90E45.9Very low61Low176 Ų17696.7 Ų96.782%0.82253%0.532SS*.  trans-116.424.3174.7-63.9-166.8-175.500111.7D88D88-E90 PolarHBondContact O-N 2.91Å
91E45.1Very low60.7Low184 Ų18499.5 Ų99.586%0.8655%0.551SS**  trans-122113.1159.2-63.1-175.4158.300105.3
92E42.5Very low60.7Low196 Ų196102.9 Ų102.992%0.91657%0.567SS**  -158.6106.757.1-176.7174.2-134.500112.4
93E41.1Very low60.8Low195 Ų195101.4 Ų101.491%0.91155%0.554SS**SBendtrans-137.181.7148.1-167.5175.9-162.300108.9G95E93-G95 PolarHBondContact O-N 3.14Å
94E44.6Very low61Low197 Ų197101.7 Ų101.792%0.92156%0.56SS**SBendtrans24.685.5158-159.8170.8-171.200118.5
95G33.9Very low61.1Low64 Ų64101 Ų10166%0.6656%0.556SS**  trans148.999.4160.700000114.8E93 F97E93-G95 PolarHBondContact O-N 3.14Å; G95-F97 VanDerWaalsContact C-N 3.33Å; G95-F97 PolarHBondContact O-N 2.86Å
96G39.9Very low61.3Low83 Ų8399.5 Ų99.586%0.85655%0.553SS**  trans-63.677.4-176.100000116
97F38.1Very low61.5Low130 Ų130101.6 Ų101.657%0.5756%0.555SS**  trans-120.673.8165.7-91.6-87.3000109.5G95 G99 L128G95-F97 VanDerWaalsContact C-N 3.33Å; G95-F97 PolarHBondContact O-N 2.86Å; F97-G99 PolarHBondContact O-N 2.81Å; F97-G99 VanDerWaalsContact O-N 3.09Å; F97-L128 HydrophobicContact CB-CD2 4.49Å; F97-L128 HydrophobicContact CD1-CB 3.91Å; F97-L128 HydrophobicContact CD1-CD1 4.42Å; F97-L128 HydrophobicContact CD1-CD2 4.02Å; F97-L128 HydrophobicContact CD1-CG 4.34Å; F97-L128 HydrophobicContact CE1-CB 3.89Å; F97-L128 HydrophobicContact CE1-CD1 4.43Å; F97-L128 HydrophobicContact CG-CD2 4.49Å
98L40.6Very low62.5Low172 Ų172104.8 Ų104.890%0.90157%0.57SS**THydrogen-bonded Turntrans-53.1112.7179.7-66.1169.8000111.7G100L98-G100 PolarHBondContact O-N 2.91Å
99G47.8Very low64.2Low68 Ų68101 Ų10170%0.70155%0.548SS*.THydrogen-bonded Turntrans43.868.1161.800000115.9F97 S101F97-G99 PolarHBondContact O-N 2.81Å; F97-G99 VanDerWaalsContact O-N 3.09Å; G99-S101 PolarHBondContact O-N 2.82Å
100G60.3Low66.2Low15 Ų1599.3 Ų99.316%0.15555%0.551CS.*PPolyproline II helixtrans-56.1128.2173.100000110.9L98 L102 E126 V127L98-G100 PolarHBondContact O-N 2.91Å; G100-L102 PolarHBondContact O-N 3.02Å; G100-E126 PolarHBondContact N-OE1 2.93Å; G100-V127 CarbonylContact C-O 3.43Å; G100-V127 WeakPolarHBondContact CA-O 3.28Å
101S84.4Confident68.2Low59 Ų5993.1 Ų93.141%0.41353%0.526SS..EExtended strand (participates in β ladder)trans-61.8129.2-179.6-69.30000109.5G99 Y103 V127G99-S101 PolarHBondContact O-N 2.82Å; S101-Y103 VanDerWaalsContact O-CD2 3.29Å; S101-Y103 WeakPolarHBondContact O-CD2 3.38Å; S101-V127 PolarHBondContact N-O 2.98Å; S101-V127 PolarHBondContact O-N 3.46Å
102L89.8Confident70.3Confident89 Ų8990.3 Ų90.347%0.46653%0.526SS..EExtended strand (participates in β ladder)trans-75.3132.4178.2-63.5178.5000111.2G100 V124 V125 E126 Y155G100-L102 PolarHBondContact O-N 3.02Å; L102-V124 HydrophobicContact CB-CG1 4.28Å; L102-V124 HydrophobicContact CD2-CG1 4.22Å; L102-V125 WeakPolarHBondContact CA-O 3.46Å; L102-E126 HydrophobicContact CD2-CB 4.16Å; L102-Y155 HydrophobicContact CB-CD1 4.17Å; L102-Y155 HydrophobicContact CB-CG 4.43Å; L102-Y155 HydrophobicContact CD1-CD1 4.19Å; L102-Y155 WeakPolarHBondContact O-CB 3.4Å; L102-Y155 PolarHBondContact O-N 3.46Å
103Y91.4Very high72.5Confident24 Ų2486.9 Ų86.99%0.09451%0.509CS..EExtended strand (participates in β ladder)trans-129151.6174.9-76.5-107.5000110.3S101 V124 V125 V127 K130 W136 L152 Q153 P154S101-Y103 VanDerWaalsContact O-CD2 3.29Å; S101-Y103 WeakPolarHBondContact O-CD2 3.38Å; Y103-V124 CarbonylContact O-C 3.42Å; Y103-V124 WeakPolarHBondContact O-CA 3.2Å; Y103-V125 PolarHBondContact N-O 2.85Å; Y103-V125 PolarHBondContact O-N 3.05Å; Y103-V127 HydrophobicContact CD2-CB 4Å; Y103-V127 HydrophobicContact CD2-CG2 3.28Å; Y103-V127 HydrophobicContact CE2-CB 4.19Å; Y103-V127 HydrophobicContact CE2-CG2 3.82Å; Y103-V127 HydrophobicContact CG-CG2 3.84Å; Y103-K130 VanDerWaalsContact OH-CE 3.28Å; Y103-K130 WeakPolarHBondContact OH-CE 3.34Å; Y103-K130 PolarHBondContact OH-NZ 3.07Å; Y103-W136 HydrophobicContact CD1-CZ3 4.09Å; Y103-W136 HydrophobicContact CE1-CH2 4.15Å; Y103-W136 AromaticContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE2-CZ3 4.17Å; Y103-W136 AromaticContact CZ-CZ3 3.66Å; Y103-L152 HydrophobicContact CD1-CB 3.85Å; Y103-L152 HydrophobicContact CG-CB 4.23Å; Y103-Q153 CarbonylContact C-O 3.46Å; Y103-Q153 VanDerWaalsContact CA-O 3.25Å; Y103-Q153 WeakPolarHBondContact CA-O 3.47Å; Y103-Q153 WeakPolarHBondContact CB-O 3.19Å; Y103-Q153 WeakPolarHBondContact CD1-O 3.45Å; Y103-P154 HydrophobicContact CD1-CG 4.25Å; Y103-P154 VanDerWaalsContact CD1-N 3.32Å; Y103-P154 HydrophobicContact CE1-CB 4.18Å; Y103-P154 HydrophobicContact CE1-CG 3.61Å
104C92Very high74.7Confident30 Ų3084 Ų8420%0.20350%0.504CS..EExtended strand (participates in β ladder)trans-103.9135.1172.4-170.90000109.7V106 C123 L152 Q153 Y155C104-V106 PolarHBondContact O-N 2.68Å; C104-C123 WeakPolarHBondContact CA-O 3.41Å; C104-L152 WeakPolarHBondContact O-CA 3.38Å; C104-Q153 PolarHBondContact N-O 2.81Å; C104-Q153 PolarHBondContact O-N 3Å; C104-Y155 HydrophobicContact CB-CD2 4.21Å
105A93.2Very high76.8Confident0 Ų079.6 Ų79.60%049%0.487CS..EExtended strand (participates in β ladder)trans-71.6111.1172.200000110.5V119 A120 I121 G122 C123 Y151 L152A105-V119 HydrophobicContact CB-CB 4.28Å; A105-V119 HydrophobicContact CB-CG2 3.7Å; A105-A120 VanDerWaalsContact CB-O 3.3Å; A105-A120 WeakPolarHBondContact CB-O 3.28Å; A105-I121 WeakPolarHBondContact O-CA 3.47Å; A105-G122 PolarHBondContact O-N 2.99Å; A105-C123 HydrophobicContact CB-CB 4.44Å; A105-C123 PolarHBondContact N-O 3.29Å; A105-Y151 CarbonylContact C-O 3.6Å; A105-Y151 VanDerWaalsContact CA-O 3.3Å; A105-Y151 WeakPolarHBondContact CA-O 3.47Å; A105-L152 HydrophobicContact CB-CD2 4.49Å
106V92.3Very high79.6Confident58 Ų5877.4 Ų77.435%0.35246%0.46SS..SBendtrans-83.4-14.1177.5-64.70000113.1C104 Y151 Q153C104-V106 PolarHBondContact O-N 2.68Å; V106-Y151 WeakPolarHBondContact CG2-O 3.39Å; V106-Y151 PolarHBondContact N-O 3.26Å; V106-Q153 HydrophobicContact CG1-CB 3.53Å
107R90.8Very high82.1Confident119 Ų11973.7 Ų73.745%0.44942%0.421SS..SBendtrans-137.5148177.5-80.2-174.1-75.4-143.2-5.4110.3M150 Y151R107-M150 PolarHBondContact NH2-O 3.31Å; R107-Y151 HydrophobicContact CB-CD1 3.42Å; R107-Y151 VanDerWaalsContact CB-CD1 3.42Å; R107-Y151 HydrophobicContact CB-CE1 3.84Å; R107-Y151 HydrophobicContact CB-CG 4.25Å
108N93.3Very high84.6Confident94 Ų9469.4 Ų69.450%0.50341%0.413SS..  trans-68.2135.9173.5-172.855.4000108.8V119 A120 I121N108-V119 PolarHBondContact OD1-O 2.91Å; N108-A120 WeakPolarHBondContact OD1-CA 3.15Å; N108-I121 HydrophobicContact CB-CD1 4.37Å; N108-I121 HydrophobicContact CB-CG1 4Å
109Y91.7Very high87.1Confident30 Ų3061.5 Ų61.512%0.11837%0.371CS..BIsolated β-bridgetrans-133.3120.1175.8-178-101.4000109.3T111 E116 V117 G118 V119 W135 L147 P148 Y151Y109-T111 HydrophobicContact CE1-CG2 4.14Å; Y109-E116 PolarHBondContact OH-OE2 3.31Å; Y109-E116 VanDerWaalsContact OH-OE2 3.06Å; Y109-V117 WeakPolarHBondContact CD1-O 3.21Å; Y109-G118 CarbonylContact O-C 3.59Å; Y109-G118 WeakPolarHBondContact O-CA 3.46Å; Y109-V119 PolarHBondContact N-O 3.25Å; Y109-V119 PolarHBondContact O-N 3.21Å; Y109-W135 WeakPolarHBondContact OH-CZ3 3.16Å; Y109-L147 HydrophobicContact CD1-CD1 3.26Å; Y109-L147 HydrophobicContact CE1-CD1 3.87Å; Y109-L147 HydrophobicContact CG-CD1 3.65Å; Y109-P148 HydrophobicContact CD2-CG 4.39Å; Y109-P148 HydrophobicContact CE2-CG 3.86Å; Y109-Y151 HydrophobicContact CD2-CD1 4.29Å; Y109-Y151 HydrophobicContact CD2-CE1 4.04Å
110S90.9Very high89.2Confident102 Ų10260.4 Ų60.471%0.71336%0.356SS*.  trans-119127.8178.855.60000109
111T88.9Confident90.8Very high46 Ų4665.3 Ų65.328%0.28238%0.377SS..  trans-129.5153.3179.5-176.50000111.3Y109 K113 E116Y109-T111 HydrophobicContact CE1-CG2 4.14Å; T111-K113 PolarHBondContact OG1-N 2.71Å; T111-K113 VanDerWaalsContact OG1-N 3.09Å; T111-E116 WeakPolarHBondContact CB-OE2 3.29Å; T111-E116 HydrophobicContact CG2-CB 3.53Å; T111-E116 PolarHBondContact OG1-OE2 2.81Å
112S88.5Confident91Very high125 Ų12564.7 Ų64.787%0.87438%0.381SS*.  trans-109.1-2.3171.555.10000113.2
113K88.8Confident91Very high125 Ų12562.6 Ų62.654%0.54337%0.373SS..SBendtrans-80.3149178.2-55.6-168.9-154.11570110.8T111 D115 E116T111-K113 PolarHBondContact OG1-N 2.71Å; T111-K113 VanDerWaalsContact OG1-N 3.09Å; K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.1Å; K113-E116 HydrophobicContact CB-CB 4.31Å; K113-E116 HydrophobicContact CB-CG 4.2Å; K113-E116 HydrophobicContact CD-CG 4.32Å; K113-E116 WeakPolarHBondContact CD-OE1 3.03Å; K113-E116 VanDerWaalsContact CE-OE1 3.28Å; K113-E116 WeakPolarHBondContact CE-OE1 3.23Å; K113-E116 IonicContact NZ-OE1 2.67Å; K113-E116 PolarHBondContact NZ-OE1 3.32Å; K113-E116 IonicContact NZ-OE2 3.87Å
114T87.2Confident90.9Very high133 Ų13364.5 Ų64.582%0.81639%0.387SS*.SBendtrans-65.7-31.117844.50000113.2
115D89.4Confident90.9Very high105 Ų10563.1 Ų63.156%0.56138%0.378SS*.SBendtrans-96.4-10.9-167.4-44.1-18.8000112K113 G145 Y146K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.1Å; D115-G145 CarbonylContact O-C 3.51Å; D115-G145 VanDerWaalsContact O-CA 3.29Å; D115-G145 WeakPolarHBondContact O-CA 3.39Å; D115-Y146 HydrophobicContact CB-CD2 4.36Å; D115-Y146 WeakPolarHBondContact O-CD2 3.25Å; D115-Y146 PolarHBondContact O-N 3.07Å
116E93.1Very high90.8Very high19 Ų1964.7 Ų64.79%0.08939%0.385CS..BIsolated β-bridgetrans-102.3153.5-179.8-66173.7175.200110.4Y109 T111 K113 W135 Y146Y109-E116 PolarHBondContact OH-OE2 3.31Å; Y109-E116 VanDerWaalsContact OH-OE2 3.06Å; T111-E116 WeakPolarHBondContact CB-OE2 3.29Å; T111-E116 HydrophobicContact CG2-CB 3.53Å; T111-E116 PolarHBondContact OG1-OE2 2.81Å; K113-E116 HydrophobicContact CB-CB 4.31Å; K113-E116 HydrophobicContact CB-CG 4.2Å; K113-E116 HydrophobicContact CD-CG 4.32Å; K113-E116 WeakPolarHBondContact CD-OE1 3.03Å; K113-E116 VanDerWaalsContact CE-OE1 3.28Å; K113-E116 WeakPolarHBondContact CE-OE1 3.23Å; K113-E116 IonicContact NZ-OE1 2.67Å; K113-E116 PolarHBondContact NZ-OE1 3.32Å; K113-E116 IonicContact NZ-OE2 3.87Å; E116-W135 HydrophobicContact CG-CZ3 4.08Å; E116-W135 WeakPolarHBondContact OE1-CH2 3.39Å; E116-W135 VanDerWaalsContact OE1-CZ3 3.32Å; E116-W135 WeakPolarHBondContact OE1-CZ3 3.49Å; E116-Y146 VanDerWaalsContact CA-O 3.29Å; E116-Y146 WeakPolarHBondContact CA-O 3.48Å
117V91.3Very high90.8Very high5 Ų562.1 Ų62.13%0.0337%0.369CS..  trans-117.8124.4179.262.90000111.9Y109 V138 C140 Y146 L147Y109-V117 WeakPolarHBondContact CD1-O 3.21Å; V117-V138 HydrophobicContact CG1-CG2 3.41Å; V117-V138 VanDerWaalsContact CG1-CG2 3.41Å; V117-C140 HydrophobicContact CG2-CB 4.05Å; V117-Y146 PolarHBondContact N-O 3.04Å; V117-L147 HydrophobicContact CG1-CB 4.23Å
118G90.9Very high90.6Very high39 Ų3958.1 Ų58.140%0.40236%0.357SS..  trans-77.3138174.800000112.1Y109Y109-G118 CarbonylContact O-C 3.59Å; Y109-G118 WeakPolarHBondContact O-CA 3.46Å
119V92.7Very high90.3Very high6 Ų659.6 Ų59.64%0.03636%0.355CS..BIsolated β-bridgetrans-140.1142.4-178-57.50000111.3A105 N108 Y109 C123 V125 C140 L147A105-V119 HydrophobicContact CB-CB 4.28Å; A105-V119 HydrophobicContact CB-CG2 3.7Å; N108-V119 PolarHBondContact OD1-O 2.91Å; Y109-V119 PolarHBondContact N-O 3.25Å; Y109-V119 PolarHBondContact O-N 3.21Å; V119-C123 HydrophobicContact CB-CB 4.48Å; V119-V125 HydrophobicContact CG1-CG1 3.9Å; V119-C140 HydrophobicContact CG1-CB 4.24Å; V119-L147 HydrophobicContact CG1-CD2 3.98Å; V119-L147 HydrophobicContact CG2-CD1 3.79Å; V119-L147 HydrophobicContact CG2-CD2 3.73Å; V119-L147 HydrophobicContact CG2-CG 4.46Å
120A92.7Very high90.2Very high46 Ų4663.3 Ų63.338%0.3837%0.372SS..  trans-89.3160.5174.800000111.8A105 N108 G122 C123A105-A120 VanDerWaalsContact CB-O 3.3Å; A105-A120 WeakPolarHBondContact CB-O 3.28Å; N108-A120 WeakPolarHBondContact OD1-CA 3.15Å; A120-G122 PolarHBondContact O-N 3.37Å; A120-C123 VanDerWaalsContact O-CB 3.26Å; A120-C123 WeakPolarHBondContact O-CB 3.47Å; A120-C123 PolarHBondContact O-N 3.08Å; A120-C123 VanDerWaalsContact O-N 3.12Å; A120-C123 PolarHBondContact O-SG 2.79Å
121I93.2Very high90Very high117 Ų11759.5 Ų59.560%0.635%0.345SS*.THydrogen-bonded Turntrans-60132.9174.5-57.5173.9000109.3A105 N108 C123A105-I121 WeakPolarHBondContact O-CA 3.47Å; N108-I121 HydrophobicContact CB-CD1 4.37Å; N108-I121 HydrophobicContact CB-CG1 4Å; I121-C123 VanDerWaalsContact C-N 3.31Å
122G87.8Confident89.9Confident47 Ų4765.4 Ų65.449%0.48538%0.375SS..THydrogen-bonded Turntrans86-6.9-178.100000114.6A105 A120 V124A105-G122 PolarHBondContact O-N 2.99Å; A120-G122 PolarHBondContact O-N 3.37Å; G122-V124 PolarHBondContact O-N 3.48Å
123C90Very high89.8Confident44 Ų4464.2 Ų64.230%0.29736%0.359SS..  trans-64.7128.3172.6-73.60000110.6C104 A105 V119 A120 I121C104-C123 WeakPolarHBondContact CA-O 3.41Å; A105-C123 HydrophobicContact CB-CB 4.44Å; A105-C123 PolarHBondContact N-O 3.29Å; V119-C123 HydrophobicContact CB-CB 4.48Å; A120-C123 VanDerWaalsContact O-CB 3.26Å; A120-C123 WeakPolarHBondContact O-CB 3.47Å; A120-C123 PolarHBondContact O-N 3.08Å; A120-C123 VanDerWaalsContact O-N 3.12Å; A120-C123 PolarHBondContact O-SG 2.79Å; I121-C123 VanDerWaalsContact C-N 3.31Å
124V90.4Very high89.9Confident64 Ų6459.4 Ų59.439%0.38835%0.345SS..EExtended strand (participates in β ladder)trans-83.7128.4168.1-176.50000108.3L102 Y103 G122 Y155L102-V124 HydrophobicContact CB-CG1 4.28Å; L102-V124 HydrophobicContact CD2-CG1 4.22Å; Y103-V124 CarbonylContact O-C 3.42Å; Y103-V124 WeakPolarHBondContact O-CA 3.2Å; G122-V124 PolarHBondContact O-N 3.48Å; V124-Y155 HydrophobicContact CG1-CD1 4.32Å; V124-Y155 HydrophobicContact CG1-CD2 4.46Å; V124-Y155 HydrophobicContact CG1-CG 4.19Å; V124-Y155 HydrophobicContact CG2-CD2 3.73Å; V124-Y155 HydrophobicContact CG2-CE2 3.61Å; V124-Y155 HydrophobicContact CG2-CG 4.28Å
125V91.7Very high90.2Very high2 Ų257.2 Ų57.21%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-124.1156.9175.3-55.40000110L102 Y103 V119 V138 C140 L152L102-V125 WeakPolarHBondContact CA-O 3.46Å; Y103-V125 PolarHBondContact N-O 2.85Å; Y103-V125 PolarHBondContact O-N 3.05Å; V119-V125 HydrophobicContact CG1-CG1 3.9Å; V125-V138 HydrophobicContact CB-CB 4.39Å; V125-V138 HydrophobicContact CB-CG2 4.43Å; V125-V138 HydrophobicContact CG2-CB 4.25Å; V125-V138 HydrophobicContact CG2-CG1 4.4Å; V125-V138 HydrophobicContact CG2-CG2 4.44Å; V125-C140 HydrophobicContact CG1-CB 3.78Å; V125-L152 HydrophobicContact CG2-CD1 4.31Å; V125-L152 HydrophobicContact CG2-CD2 3.55Å
126E91.7Very high90.4Very high32 Ų3254.2 Ų54.215%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-102.5122.9175.7177.2-177.9-161.500109.5G100 L102 L128 V138 R139G100-E126 PolarHBondContact N-OE1 2.93Å; L102-E126 HydrophobicContact CD2-CB 4.16Å; E126-L128 HydrophobicContact CG-CD2 4.06Å; E126-L128 PolarHBondContact O-N 3.42Å; E126-V138 CarbonylContact O-C 3.48Å; E126-V138 WeakPolarHBondContact O-CA 3.43Å; E126-V138 WeakPolarHBondContact O-CB 2.95Å; E126-R139 HydrophobicContact CB-CB 4.3Å; E126-R139 PolarHBondContact N-O 3.43Å; E126-R139 PolarHBondContact O-N 3.17Å; E126-R139 IonicContact OE1-NH2 3.55Å; E126-R139 IonicContact OE2-CZ 3.13Å; E126-R139 IonicContact OE2-NE 2.75Å; E126-R139 PolarHBondContact OE2-NE 2.98Å; E126-R139 IonicContact OE2-NH2 2.69Å; E126-R139 PolarHBondContact OE2-NH2 3.28Å
127V91.1Very high90.3Very high5 Ų554.5 Ų54.53%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-87.6108.5177.7177.30000109.5G100 S101 Y103 K130 W136 V138 L152G100-V127 CarbonylContact C-O 3.43Å; G100-V127 WeakPolarHBondContact CA-O 3.28Å; S101-V127 PolarHBondContact N-O 2.98Å; S101-V127 PolarHBondContact O-N 3.46Å; Y103-V127 HydrophobicContact CD2-CB 4Å; Y103-V127 HydrophobicContact CD2-CG2 3.28Å; Y103-V127 HydrophobicContact CE2-CB 4.19Å; Y103-V127 HydrophobicContact CE2-CG2 3.82Å; Y103-V127 HydrophobicContact CG-CG2 3.84Å; V127-K130 HydrophobicContact CG1-CG 3.68Å; V127-W136 HydrophobicContact CG1-CB 4.18Å; V127-W136 HydrophobicContact CG1-CD2 4.24Å; V127-W136 HydrophobicContact CG1-CE3 3.85Å; V127-W136 HydrophobicContact CG1-CG 4.43Å; V127-W136 HydrophobicContact CG2-CE3 3.89Å; V127-W136 HydrophobicContact CG2-CZ3 4.42Å; V127-V138 HydrophobicContact CB-CG1 4.44Å; V127-V138 HydrophobicContact CG2-CG1 3.85Å; V127-L152 HydrophobicContact CG2-CD1 4Å
128L88.4Confident90.4Very high34 Ų3454.3 Ų54.318%0.17830%0.303CS..EExtended strand (participates in β ladder)trans-81.6-38.4179.7-58.3-178.8000112.3F97 E126 L137 R139 V144F97-L128 HydrophobicContact CB-CD2 4.49Å; F97-L128 HydrophobicContact CD1-CB 3.91Å; F97-L128 HydrophobicContact CD1-CD1 4.42Å; F97-L128 HydrophobicContact CD1-CD2 4.02Å; F97-L128 HydrophobicContact CD1-CG 4.34Å; F97-L128 HydrophobicContact CE1-CB 3.89Å; F97-L128 HydrophobicContact CE1-CD1 4.43Å; F97-L128 HydrophobicContact CG-CD2 4.49Å; E126-L128 HydrophobicContact CG-CD2 4.06Å; E126-L128 PolarHBondContact O-N 3.42Å; L128-L137 HydrophobicContact CB-CD2 4.46Å; L128-L137 PolarHBondContact N-O 3.4Å; L128-R139 HydrophobicContact CD1-CB 4.15Å; L128-R139 HydrophobicContact CD2-CB 4.41Å; L128-R139 HydrophobicContact CG-CB 4.27Å; L128-V144 HydrophobicContact CD1-CG1 3.83Å; L128-V144 HydrophobicContact CD1-CG2 3.93Å
129R86.4Confident90.4Very high126 Ų12658.2 Ų58.248%0.47531%0.306SS..EExtended strand (participates in β ladder)trans-143128.9177.1-166.617572.1-156.6-1.3111.5W136 L137 Y146R129-W136 CarbonylContact O-C 3.57Å; R129-W136 WeakPolarHBondContact O-CA 3.49Å; R129-W136 WeakPolarHBondContact O-CB 3.35Å; R129-L137 HydrophobicContact CB-CB 3.91Å; R129-L137 PolarHBondContact N-O 3.09Å; R129-L137 VanDerWaalsContact N-O 3.17Å; R129-L137 PolarHBondContact O-N 2.75Å; R129-Y146 PolarHBondContact NH2-OH 2.9Å
130K88.8Confident90.2Very high107 Ų10759.2 Ų59.247%0.46531%0.313SS..  trans-95.5112.4171.1-66.2175.9178.9165.70109.1Y103 V127 W136Y103-K130 VanDerWaalsContact OH-CE 3.28Å; Y103-K130 WeakPolarHBondContact OH-CE 3.34Å; Y103-K130 PolarHBondContact OH-NZ 3.07Å; V127-K130 HydrophobicContact CG1-CG 3.68Å; K130-W136 HydrophobicContact CB-CD2 4.34Å; K130-W136 HydrophobicContact CB-CZ2 4.39Å; K130-W136 HydrophobicContact CD-CH2 4.24Å; K130-W136 HydrophobicContact CD-CZ2 4.18Å; K130-W136 HydrophobicContact CG-CD2 3.86Å; K130-W136 HydrophobicContact CG-CE3 4.17Å; K130-W136 HydrophobicContact CG-CG 4.37Å; K130-W136 HydrophobicContact CG-CH2 4.34Å; K130-W136 HydrophobicContact CG-CZ2 4.03Å; K130-W136 HydrophobicContact CG-CZ3 4.4Å
131S86.2Confident89.7Confident22 Ų2261.4 Ų61.415%0.15434%0.339CS..  trans-95.5152.3171.3-48.40000110D133 W135 W136S131-D133 WeakPolarHBondContact CB-OD1 3.19Å; S131-W135 VanDerWaalsContact CB-O 3.28Å; S131-W135 WeakPolarHBondContact CB-O 3.36Å; S131-W135 PolarHBondContact OG-O 3.31Å; S131-W136 VanDerWaalsContact N-CD1 3.35Å; S131-W136 PolarHBondContact O-NE1 2.75Å
132D87.9Confident89.2Confident170 Ų17059.3 Ų59.391%0.90935%0.347SS*.THydrogen-bonded Turntrans-82.1-18.4177.158.4-41.9000113.5G134D132-G134 PolarHBondContact O-N 3.41Å; D132-G134 VanDerWaalsContact O-N 3.14Å
133D87.2Confident89.2Confident101 Ų10165.4 Ų65.454%0.5436%0.355SS..THydrogen-bonded Turntrans-64.7-6167.7691.6000114.4S131 W135S131-D133 WeakPolarHBondContact CB-OD1 3.19Å; D133-W135 PolarHBondContact OD1-N 2.87Å
134G90.2Very high89.2Confident23 Ų2366.7 Ų66.724%0.23736%0.362CS..SBendtrans85.8-3.2-178.700000115.3D132 S149D132-G134 PolarHBondContact O-N 3.41Å; D132-G134 VanDerWaalsContact O-N 3.14Å; G134-S149 WeakPolarHBondContact O-CB 3.4Å; G134-S149 PolarHBondContact O-N 2.88Å; G134-S149 PolarHBondContact O-OG 3.26Å
135W93.4Very high89.3Confident88 Ų8863.8 Ų63.833%0.33335%0.345SS..EExtended strand (participates in β ladder)trans-103.3104.5-179.7-69.185.4000111.1Y109 E116 S131 D133 Y146 P148Y109-W135 WeakPolarHBondContact OH-CZ3 3.16Å; E116-W135 HydrophobicContact CG-CZ3 4.08Å; E116-W135 WeakPolarHBondContact OE1-CH2 3.39Å; E116-W135 VanDerWaalsContact OE1-CZ3 3.32Å; E116-W135 WeakPolarHBondContact OE1-CZ3 3.49Å; S131-W135 VanDerWaalsContact CB-O 3.28Å; S131-W135 WeakPolarHBondContact CB-O 3.36Å; S131-W135 PolarHBondContact OG-O 3.31Å; D133-W135 PolarHBondContact OD1-N 2.87Å; W135-Y146 HydrophobicContact CB-CD1 4.41Å; W135-P148 HydrophobicContact CD2-CG 4.41Å; W135-P148 HydrophobicContact CE3-CG 3.95Å; W135-P148 HydrophobicContact CH2-CG 3.83Å; W135-P148 HydrophobicContact CZ2-CG 4.26Å; W135-P148 HydrophobicContact CZ3-CG 3.65Å
136W93.8Very high89.4Confident42 Ų4267.3 Ų67.316%0.15936%0.358CS..EExtended strand (participates in β ladder)trans-93.4139.2-175.8-67.60.7000110.6Y103 V127 R129 K130 S131 V138 Y146 L147 S149 L152Y103-W136 HydrophobicContact CD1-CZ3 4.09Å; Y103-W136 HydrophobicContact CE1-CH2 4.15Å; Y103-W136 AromaticContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE2-CZ3 4.17Å; Y103-W136 AromaticContact CZ-CZ3 3.66Å; V127-W136 HydrophobicContact CG1-CB 4.18Å; V127-W136 HydrophobicContact CG1-CD2 4.24Å; V127-W136 HydrophobicContact CG1-CE3 3.85Å; V127-W136 HydrophobicContact CG1-CG 4.43Å; V127-W136 HydrophobicContact CG2-CE3 3.89Å; V127-W136 HydrophobicContact CG2-CZ3 4.42Å; R129-W136 CarbonylContact O-C 3.57Å; R129-W136 WeakPolarHBondContact O-CA 3.49Å; R129-W136 WeakPolarHBondContact O-CB 3.35Å; K130-W136 HydrophobicContact CB-CD2 4.34Å; K130-W136 HydrophobicContact CB-CZ2 4.39Å; K130-W136 HydrophobicContact CD-CH2 4.24Å; K130-W136 HydrophobicContact CD-CZ2 4.18Å; K130-W136 HydrophobicContact CG-CD2 3.86Å; K130-W136 HydrophobicContact CG-CE3 4.17Å; K130-W136 HydrophobicContact CG-CG 4.37Å; K130-W136 HydrophobicContact CG-CH2 4.34Å; K130-W136 HydrophobicContact CG-CZ2 4.03Å; K130-W136 HydrophobicContact CG-CZ3 4.4Å; S131-W136 VanDerWaalsContact N-CD1 3.35Å; S131-W136 PolarHBondContact O-NE1 2.75Å; W136-V138 HydrophobicContact CB-CG1 4.26Å; W136-V138 PolarHBondContact O-N 3.06Å; W136-Y146 CarbonylContact O-C 3.49Å; W136-Y146 WeakPolarHBondContact O-CA 3.29Å; W136-L147 PolarHBondContact N-O 2.97Å; W136-L147 PolarHBondContact O-N 2.95Å; W136-S149 VanDerWaalsContact CD2-CB 3.49Å; W136-L152 HydrophobicContact CE3-CD1 4.04Å
137L91.1Very high89.5Confident25 Ų2565.8 Ų65.813%0.13135%0.351CS..EExtended strand (participates in β ladder)trans-79.7119.6172.9-169.670.2000107.9L128 R129 V144 Y146L128-L137 HydrophobicContact CB-CD2 4.46Å; L128-L137 PolarHBondContact N-O 3.4Å; R129-L137 HydrophobicContact CB-CB 3.91Å; R129-L137 PolarHBondContact N-O 3.09Å; R129-L137 VanDerWaalsContact N-O 3.17Å; R129-L137 PolarHBondContact O-N 2.75Å; L137-V144 HydrophobicContact CD1-CG1 3.76Å; L137-V144 HydrophobicContact CD2-CG1 4.19Å; L137-V144 HydrophobicContact CG-CG1 3.83Å; L137-Y146 HydrophobicContact CB-CD1 4.43Å; L137-Y146 HydrophobicContact CB-CE1 4.25Å; L137-Y146 HydrophobicContact CD1-CD1 4.2Å; L137-Y146 HydrophobicContact CD1-CD2 4.47Å; L137-Y146 HydrophobicContact CD1-CE1 4.01Å; L137-Y146 HydrophobicContact CD1-CE2 4.29Å; L137-Y146 HydrophobicContact CD1-CG 4.42Å
138V92.6Very high89.6Confident0 Ų066.1 Ų66.10%035%0.353CS..EExtended strand (participates in β ladder)trans-128.6151-176.3-48.20000112.2V117 V125 E126 V127 W136 V144 G145 L147 L152V117-V138 HydrophobicContact CG1-CG2 3.41Å; V117-V138 VanDerWaalsContact CG1-CG2 3.41Å; V125-V138 HydrophobicContact CB-CB 4.39Å; V125-V138 HydrophobicContact CB-CG2 4.43Å; V125-V138 HydrophobicContact CG2-CB 4.25Å; V125-V138 HydrophobicContact CG2-CG1 4.4Å; V125-V138 HydrophobicContact CG2-CG2 4.44Å; E126-V138 CarbonylContact O-C 3.48Å; E126-V138 WeakPolarHBondContact O-CA 3.43Å; E126-V138 WeakPolarHBondContact O-CB 2.95Å; V127-V138 HydrophobicContact CB-CG1 4.44Å; V127-V138 HydrophobicContact CG2-CG1 3.85Å; W136-V138 HydrophobicContact CB-CG1 4.26Å; W136-V138 PolarHBondContact O-N 3.06Å; V138-V144 WeakPolarHBondContact O-CA 3.29Å; V138-G145 PolarHBondContact N-O 3.21Å; V138-G145 PolarHBondContact O-N 2.86Å; V138-L147 HydrophobicContact CG1-CB 4.24Å; V138-L147 HydrophobicContact CG2-CB 3.71Å; V138-L147 HydrophobicContact CG2-CD2 3.92Å; V138-L147 HydrophobicContact CG2-CG 4.48Å; V138-L152 HydrophobicContact CG1-CD1 4Å
139R91.1Very high89.8Confident121 Ų12166 Ų6646%0.45736%0.356SS..EExtended strand (participates in β ladder)trans-104124171.5-171.5164.568.1158.5-5.1109.4E126 L128 R143 V144E126-R139 HydrophobicContact CB-CB 4.3Å; E126-R139 PolarHBondContact N-O 3.43Å; E126-R139 PolarHBondContact O-N 3.17Å; E126-R139 IonicContact OE1-NH2 3.55Å; E126-R139 IonicContact OE2-CZ 3.13Å; E126-R139 IonicContact OE2-NE 2.75Å; E126-R139 PolarHBondContact OE2-NE 2.98Å; E126-R139 IonicContact OE2-NH2 2.69Å; E126-R139 PolarHBondContact OE2-NH2 3.28Å; L128-R139 HydrophobicContact CD1-CB 4.15Å; L128-R139 HydrophobicContact CD2-CB 4.41Å; L128-R139 HydrophobicContact CG-CB 4.27Å; R139-R143 WeakPolarHBondContact CA-O 3.28Å; R139-V144 HydrophobicContact CB-CG2 4.14Å; R139-V144 HydrophobicContact CG-CG2 4.04Å
140C88.4Confident90.1Very high28 Ų2865.6 Ų65.619%0.18936%0.36CS..EExtended strand (participates in β ladder)trans-136.8118.2177.7-177.30000109.6V117 V119 V125 G142 R143V117-C140 HydrophobicContact CG2-CB 4.05Å; V119-C140 HydrophobicContact CG1-CB 4.24Å; V125-C140 HydrophobicContact CG1-CB 3.78Å; C140-G142 VanDerWaalsContact C-N 3.27Å; C140-G142 PolarHBondContact O-N 3.33Å; C140-R143 PolarHBondContact N-O 3.42Å; C140-R143 PolarHBondContact O-N 3.23Å
141G82.6Confident90.2Very high91 Ų9163.3 Ų63.394%0.93835%0.349SS*.THydrogen-bonded Turntrans56.736.3177.500000114.4R143G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 3.09Å
142G83.1Confident90.5Very high73 Ų7363 Ų6375%0.75335%0.346SS*.THydrogen-bonded Turntrans80.8-10.4-176.500000115.4C140C140-G142 VanDerWaalsContact C-N 3.27Å; C140-G142 PolarHBondContact O-N 3.33Å
143R86.6Confident90.6Very high176 Ų17660.5 Ų60.566%0.66433%0.329SS*.EExtended strand (participates in β ladder)trans-90.6134.8172.1-170.7177.1-62.3-1681.4110.5R139 C140 G141R139-R143 WeakPolarHBondContact CA-O 3.28Å; C140-R143 PolarHBondContact N-O 3.42Å; C140-R143 PolarHBondContact O-N 3.23Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 3.09Å
144V90.9Very high90.6Very high71 Ų7159.7 Ų59.743%0.4333%0.329SS..EExtended strand (participates in β ladder)trans-102.2137.3170.7178.50000109.1L128 L137 V138 R139L128-V144 HydrophobicContact CD1-CG1 3.83Å; L128-V144 HydrophobicContact CD1-CG2 3.93Å; L137-V144 HydrophobicContact CD1-CG1 3.76Å; L137-V144 HydrophobicContact CD2-CG1 4.19Å; L137-V144 HydrophobicContact CG-CG1 3.83Å; V138-V144 WeakPolarHBondContact O-CA 3.29Å; R139-V144 HydrophobicContact CB-CG2 4.14Å; R139-V144 HydrophobicContact CG-CG2 4.04Å
145G92.9Very high90.3Very high3 Ų362.9 Ų62.93%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-172.9171.917600000112.4D115 V138D115-G145 CarbonylContact O-C 3.51Å; D115-G145 VanDerWaalsContact O-CA 3.29Å; D115-G145 WeakPolarHBondContact O-CA 3.39Å; V138-G145 PolarHBondContact N-O 3.21Å; V138-G145 PolarHBondContact O-N 2.86Å
146Y93.6Very high89.3Confident75 Ų7563.5 Ų63.529%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-77.9142.1177.3-66.1-77.7000112.1D115 E116 V117 R129 W135 W136 L137D115-Y146 HydrophobicContact CB-CD2 4.36Å; D115-Y146 WeakPolarHBondContact O-CD2 3.25Å; D115-Y146 PolarHBondContact O-N 3.07Å; E116-Y146 VanDerWaalsContact CA-O 3.29Å; E116-Y146 WeakPolarHBondContact CA-O 3.48Å; V117-Y146 PolarHBondContact N-O 3.04Å; R129-Y146 PolarHBondContact NH2-OH 2.9Å; W135-Y146 HydrophobicContact CB-CD1 4.41Å; W136-Y146 CarbonylContact O-C 3.49Å; W136-Y146 WeakPolarHBondContact O-CA 3.29Å; L137-Y146 HydrophobicContact CB-CD1 4.43Å; L137-Y146 HydrophobicContact CB-CE1 4.25Å; L137-Y146 HydrophobicContact CD1-CD1 4.2Å; L137-Y146 HydrophobicContact CD1-CD2 4.47Å; L137-Y146 HydrophobicContact CD1-CE1 4.01Å; L137-Y146 HydrophobicContact CD1-CE2 4.29Å; L137-Y146 HydrophobicContact CD1-CG 4.42Å
147L93.6Very high88.1Confident0 Ų064.1 Ų64.10%036%0.358CS..EExtended strand (participates in β ladder)trans-143135.5176.5-177.666.7000109.6Y109 V117 V119 W136 V138 S149 L152Y109-L147 HydrophobicContact CD1-CD1 3.26Å; Y109-L147 HydrophobicContact CE1-CD1 3.87Å; Y109-L147 HydrophobicContact CG-CD1 3.65Å; V117-L147 HydrophobicContact CG1-CB 4.23Å; V119-L147 HydrophobicContact CG1-CD2 3.98Å; V119-L147 HydrophobicContact CG2-CD1 3.79Å; V119-L147 HydrophobicContact CG2-CD2 3.73Å; V119-L147 HydrophobicContact CG2-CG 4.46Å; W136-L147 PolarHBondContact N-O 2.97Å; W136-L147 PolarHBondContact O-N 2.95Å; V138-L147 HydrophobicContact CG1-CB 4.24Å; V138-L147 HydrophobicContact CG2-CB 3.71Å; V138-L147 HydrophobicContact CG2-CD2 3.92Å; V138-L147 HydrophobicContact CG2-CG 4.48Å; L147-S149 PolarHBondContact O-N 3.49Å; L147-L152 HydrophobicContact CD2-CD1 4.01Å; L147-L152 HydrophobicContact CD2-CD2 3.62Å; L147-L152 HydrophobicContact CD2-CG 3.94Å; L147-L152 HydrophobicContact CG-CD1 4.5Å
148P93.3Very high86.5Confident13 Ų1368 Ų688%0.08439%0.385CS..EExtended strand (participates in β ladder)trans-69127.7-179-13.426.5000111.3Y109 W135 M150 Y151Y109-P148 HydrophobicContact CD2-CG 4.39Å; Y109-P148 HydrophobicContact CE2-CG 3.86Å; W135-P148 HydrophobicContact CD2-CG 4.41Å; W135-P148 HydrophobicContact CE3-CG 3.95Å; W135-P148 HydrophobicContact CH2-CG 3.83Å; W135-P148 HydrophobicContact CZ2-CG 4.26Å; W135-P148 HydrophobicContact CZ3-CG 3.65Å; P148-M150 HydrophobicContact CB-CG 4.27Å; P148-M150 PolarHBondContact O-N 3.46Å; P148-M150 VanDerWaalsContact O-N 3.09Å; P148-Y151 HydrophobicContact CB-CD2 3.86Å; P148-Y151 HydrophobicContact CB-CE2 4.21Å; P148-Y151 HydrophobicContact CG-CD2 4.16Å; P148-Y151 HydrophobicContact CG-CE2 4.29Å; P148-Y151 WeakPolarHBondContact O-CB 3.36Å; P148-Y151 PolarHBondContact O-N 2.89Å
149S91.6Very high84.6Confident32 Ų3278.4 Ų78.422%0.22442%0.424CS..G310 helixtrans-56.1-29.9-176.4590000113.9G134 W136 L147 Y151 L152G134-S149 WeakPolarHBondContact O-CB 3.4Å; G134-S149 PolarHBondContact O-N 2.88Å; G134-S149 PolarHBondContact O-OG 3.26Å; W136-S149 VanDerWaalsContact CD2-CB 3.49Å; L147-S149 PolarHBondContact O-N 3.49Å; S149-Y151 PolarHBondContact O-N 3.17Å; S149-Y151 VanDerWaalsContact O-N 3.1Å; S149-L152 WeakPolarHBondContact O-CB 3.29Å; S149-L152 PolarHBondContact O-N 2.85Å
150M93.3Very high82.7Confident116 Ų11682.6 Ų82.657%0.57144%0.44SS*.G310 helixtrans-66.8-5.4175.571.4-177.5-70.600115.1R107 P148R107-M150 PolarHBondContact NH2-O 3.31Å; P148-M150 HydrophobicContact CB-CG 4.27Å; P148-M150 PolarHBondContact O-N 3.46Å; P148-M150 VanDerWaalsContact O-N 3.09Å
151Y91.8Very high80.6Confident59 Ų5983.7 Ų83.723%0.23146%0.456CS..G310 helixtrans-98.6-2.6172.3-70.1-113.7000111.6A105 V106 R107 Y109 P148 S149A105-Y151 CarbonylContact C-O 3.6Å; A105-Y151 VanDerWaalsContact CA-O 3.3Å; A105-Y151 WeakPolarHBondContact CA-O 3.47Å; V106-Y151 WeakPolarHBondContact CG2-O 3.39Å; V106-Y151 PolarHBondContact N-O 3.26Å; R107-Y151 HydrophobicContact CB-CD1 3.42Å; R107-Y151 VanDerWaalsContact CB-CD1 3.42Å; R107-Y151 HydrophobicContact CB-CE1 3.84Å; R107-Y151 HydrophobicContact CB-CG 4.25Å; Y109-Y151 HydrophobicContact CD2-CD1 4.29Å; Y109-Y151 HydrophobicContact CD2-CE1 4.04Å; P148-Y151 HydrophobicContact CB-CD2 3.86Å; P148-Y151 HydrophobicContact CB-CE2 4.21Å; P148-Y151 HydrophobicContact CG-CD2 4.16Å; P148-Y151 HydrophobicContact CG-CE2 4.29Å; P148-Y151 WeakPolarHBondContact O-CB 3.36Å; P148-Y151 PolarHBondContact O-N 2.89Å; S149-Y151 PolarHBondContact O-N 3.17Å; S149-Y151 VanDerWaalsContact O-N 3.1Å
152L90.9Very high79.2Confident16 Ų1686.7 Ų86.78%0.08445%0.45CS..EExtended strand (participates in β ladder)trans-116.2140-173.2-65.4178.8000112Y103 C104 A105 V125 V127 W136 V138 L147 S149Y103-L152 HydrophobicContact CD1-CB 3.85Å; Y103-L152 HydrophobicContact CG-CB 4.23Å; C104-L152 WeakPolarHBondContact O-CA 3.38Å; A105-L152 HydrophobicContact CB-CD2 4.49Å; V125-L152 HydrophobicContact CG2-CD1 4.31Å; V125-L152 HydrophobicContact CG2-CD2 3.55Å; V127-L152 HydrophobicContact CG2-CD1 4Å; W136-L152 HydrophobicContact CE3-CD1 4.04Å; V138-L152 HydrophobicContact CG1-CD1 4Å; L147-L152 HydrophobicContact CD2-CD1 4.01Å; L147-L152 HydrophobicContact CD2-CD2 3.62Å; L147-L152 HydrophobicContact CD2-CG 3.94Å; L147-L152 HydrophobicContact CG-CD1 4.5Å; S149-L152 WeakPolarHBondContact O-CB 3.29Å; S149-L152 PolarHBondContact O-N 2.85Å
153Q90.2Very high77.7Confident118 Ų11891.8 Ų91.855%0.55145%0.454SS*.EExtended strand (participates in β ladder)trans-126.1140.9170.9-177.8176.8-13.400109.8Y103 C104 V106 Y155Y103-Q153 CarbonylContact C-O 3.46Å; Y103-Q153 VanDerWaalsContact CA-O 3.25Å; Y103-Q153 WeakPolarHBondContact CA-O 3.47Å; Y103-Q153 WeakPolarHBondContact CB-O 3.19Å; Y103-Q153 WeakPolarHBondContact CD1-O 3.45Å; C104-Q153 PolarHBondContact N-O 2.81Å; C104-Q153 PolarHBondContact O-N 3Å; V106-Q153 HydrophobicContact CG1-CB 3.53Å; Q153-Y155 PolarHBondContact O-N 2.69Å
154P88.1Confident76Confident83 Ų8386.6 Ų86.654%0.53946%0.456SS..EExtended strand (participates in β ladder)trans-52128178.4-26.933.9000111.8Y103 S156Y103-P154 HydrophobicContact CD1-CG 4.25Å; Y103-P154 VanDerWaalsContact CD1-N 3.32Å; Y103-P154 HydrophobicContact CE1-CB 4.18Å; Y103-P154 HydrophobicContact CE1-CG 3.61Å; P154-S156 PolarHBondContact O-N 2.86Å
155Y84Confident73.7Confident91 Ų9194 Ų9436%0.35748%0.476SS..  trans-76.991.2-177.7-179.8-108.4000110.5L102 C104 V124 Q153 N157L102-Y155 HydrophobicContact CB-CD1 4.17Å; L102-Y155 HydrophobicContact CB-CG 4.43Å; L102-Y155 HydrophobicContact CD1-CD1 4.19Å; L102-Y155 WeakPolarHBondContact O-CB 3.4Å; L102-Y155 PolarHBondContact O-N 3.46Å; C104-Y155 HydrophobicContact CB-CD2 4.21Å; V124-Y155 HydrophobicContact CG1-CD1 4.32Å; V124-Y155 HydrophobicContact CG1-CD2 4.46Å; V124-Y155 HydrophobicContact CG1-CG 4.19Å; V124-Y155 HydrophobicContact CG2-CD2 3.73Å; V124-Y155 HydrophobicContact CG2-CE2 3.61Å; V124-Y155 HydrophobicContact CG2-CG 4.28Å; Q153-Y155 PolarHBondContact O-N 2.69Å; Y155-N157 HydrophobicContact CD1-CB 4.48Å; Y155-N157 HydrophobicContact CE1-CB 3.89Å; Y155-N157 PolarHBondContact O-N 2.75Å
156S73.1Confident71.6Confident101 Ų101102.5 Ų102.571%0.70651%0.514SS*.  trans-7799.3168.3-172.80000109.4P154 P158P154-S156 PolarHBondContact O-N 2.86Å; S156-P158 WeakPolarHBondContact O-CD 3.28Å
157N67.8Low69.4Low54 Ų54104.3 Ų104.329%0.28954%0.535SS..  trans-60118172.8-178.1-24.8000109Y155 R159 R160Y155-N157 HydrophobicContact CD1-CB 4.48Å; Y155-N157 HydrophobicContact CE1-CB 3.89Å; Y155-N157 PolarHBondContact O-N 2.75Å; N157-R159 PolarHBondContact O-N 3.01Å; N157-R159 WeakPolarHBondContact OD1-CB 3.39Å; N157-R159 PolarHBondContact OD1-N 3.33Å; N157-R160 HydrophobicContact CB-CB 4.49Å; N157-R160 HydrophobicContact CB-CG 4.3Å; N157-R160 PolarHBondContact O-N 3.24Å
158P56.8Low67Low108 Ų108112.8 Ų112.870%0.70157%0.574SS**THydrogen-bonded Turntrans-62.8-16.9-175.924.5-33.7000113.4S156S156-P158 WeakPolarHBondContact O-CD 3.28Å
159R52.8Low64.5Low217 Ų217117 Ų11782%0.81960%0.604SS**THydrogen-bonded Turntrans-79.5-19.4172.3-65.7-177.2164.5163-3.7114N157 G161N157-R159 PolarHBondContact O-N 3.01Å; N157-R159 WeakPolarHBondContact OD1-CB 3.39Å; N157-R159 PolarHBondContact OD1-N 3.33Å; R159-G161 VanDerWaalsContact C-N 3.31Å
160R51.9Low62.1Low209 Ų209120.4 Ų120.479%0.78963%0.628SS**G310 helixtrans-75.2-18.2172.8-78.8-174.5169.3173.3-3.5112.8N157 L162N157-R160 HydrophobicContact CB-CB 4.49Å; N157-R160 HydrophobicContact CB-CG 4.3Å; N157-R160 PolarHBondContact O-N 3.24Å; R160-L162 PolarHBondContact O-N 3.12Å
161G44.3Very low60Low51 Ų51119 Ų11953%0.52663%0.63SS.*G310 helixtrans-78.5-11.1-171.700000117.7R159 H163R159-G161 VanDerWaalsContact C-N 3.31Å; G161-H163 VanDerWaalsContact C-N 3.26Å; G161-H163 PolarHBondContact O-N 2.93Å
162L52.3Low57.9Low154 Ų154124.1 Ų124.181%0.80666%0.66SS**G310 helixtrans-76.2-6.8-174.8-66.7178.9000114.9R160R160-L162 PolarHBondContact O-N 3.12Å
163H51.3Low55.9Low180 Ų180130.7 Ų130.783%0.83370%0.695SS**G310 helixtrans-98.316.9-174.6-61.286.5000114.2G161G161-H163 VanDerWaalsContact C-N 3.26Å; G161-H163 PolarHBondContact O-N 2.93Å
164G51.3Low53.8Low68 Ų68133.2 Ų133.270%0.70171%0.712SS**SBendtrans-149.1-1.5-168.900000119.2
165R42.8Very low51.6Low227 Ų227133.4 Ų133.486%0.85772%0.721SS**  trans-138.4117175.2-59-165.985.2-177.74.5112.2P167R165-P167 WeakPolarHBondContact O-CD 3.39Å
166H48.7Very low49.7Very low180 Ų180135 Ų13583%0.83375%0.745SS**  trans-53.5121.8163.2-102.7-95.8000110H168H166-H168 PolarHBondContact O-N 3.14Å
167P47.5Very low48.1Very low113 Ų113136 Ų13673%0.73475%0.752SS**  trans-76.2109.8159.6-0.719000107.3R165 S169R165-P167 WeakPolarHBondContact O-CD 3.39Å; P167-S169 PolarHBondContact O-N 2.79Å
168H43.4Very low46.9Very low178 Ų178136.3 Ų136.382%0.82477%0.768SS**  trans-63.1107.5155.7-105.1-145.5000106.8H166 S170H166-H168 PolarHBondContact O-N 3.14Å; H168-S170 VanDerWaalsContact C-N 3.32Å; H168-S170 PolarHBondContact O-N 3.03Å
169S40.1Very low46.1Very low102 Ų102138.3 Ų138.371%0.71378%0.778SS**  trans-72.184.5-179.8175.40000110.5P167 S171P167-S169 PolarHBondContact O-N 2.79Å; S169-S171 PolarHBondContact O-N 2.94Å; S169-S171 VanDerWaalsContact O-N 3.16Å
170S42.4Very low45.3Very low103 Ų103139.5 Ų139.572%0.7278%0.782SS**  trans-71.799.6160.653.20000108.6H168 L172H168-S170 VanDerWaalsContact C-N 3.32Å; H168-S170 PolarHBondContact O-N 3.03Å; S170-L172 PolarHBondContact O-N 2.94Å
171S47.8Very low44.3Very low87 Ų87132.9 Ų132.961%0.60878%0.779SS**  trans-61.4104.8-175.9-54.20000112.5S169 N173S169-S171 PolarHBondContact O-N 2.94Å; S169-S171 VanDerWaalsContact O-N 3.16Å; S171-N173 PolarHBondContact O-N 2.81Å
172L47.9Very low43.7Very low167 Ų167135.8 Ų135.887%0.87479%0.792SS**  trans-90.493.2166.1-68.2-178.9000109.6S170 L174S170-L172 PolarHBondContact O-N 2.94Å; L172-L174 PolarHBondContact O-N 2.98Å
173N49.7Very low42.8Very low153 Ų153139.8 Ų139.882%0.81880%0.796SS**  trans-71.691.9171.2-69.2-54.2000110S171 A175S171-N173 PolarHBondContact O-N 2.81Å; N173-A175 PolarHBondContact O-N 2.86Å; N173-A175 VanDerWaalsContact O-N 3.14Å
174L46.2Very low41.8Very low171 Ų171136.3 Ų136.390%0.89579%0.792SS**  trans-80.390.5165.9-168.864.1000109.1L172 S176L172-L174 PolarHBondContact O-N 2.98Å; L174-S176 PolarHBondContact O-N 2.88Å; L174-S176 VanDerWaalsContact O-N 3.12Å
175A42Very low41Very low88 Ų88138.4 Ų138.473%0.72780%0.796SS**  trans-62.4112.6173.300000109.8N173 S177N173-A175 PolarHBondContact O-N 2.86Å; N173-A175 VanDerWaalsContact O-N 3.14Å; A175-S177 PolarHBondContact O-N 2.9Å
176S44.2Very low40.5Very low123 Ų123136 Ų13686%0.8679%0.794SS**  trans-70.392.9173.5-172.90000109.6L174 G178L174-S176 PolarHBondContact O-N 2.88Å; L174-S176 VanDerWaalsContact O-N 3.12Å; S176-G178 PolarHBondContact O-N 3.2Å
177S39.9Very low40.1Very low122 Ų122133.1 Ų133.185%0.85379%0.792SS**  trans-75.4102.8174.7-164.90000109.3A175A175-S177 PolarHBondContact O-N 2.9Å
178G40.7Very low39.2Very low62 Ų62133 Ų13364%0.63979%0.788SS**  trans-80.2151.6176.100000112.5S176S176-G178 PolarHBondContact O-N 3.2Å
179V39.9Very low38.6Very low149 Ų149132.2 Ų132.290%0.90379%0.785SS**  trans-128.6137.4155144.50000108.7
180R36.3Very low38Very low243 Ų243132.8 Ų132.892%0.91778%0.78SS**  trans-87.6132.2-175-67.8176.6169.7-151.9-2.3111.2
181G31.5Very low37.4Very low70 Ų70135 Ų13572%0.72278%0.779SS**  trans57.3130.8132.700000120.8
182S32.8Very low36.5Very low112 Ų112139 Ų13978%0.78379%0.789SS**  -171.6132.7110.1-84.70000113.5
183R32.5Very low35.8Very low238 Ų238137.1 Ų137.190%0.89879%0.789SS**  trans44.5136.1135.9-62.5175.9156.4-159.2-7.3121.3
184S30.9Very low34.9Very low107 Ų107133.3 Ų133.375%0.74879%0.786SS**  trans115.5110.5134-156.30000117.7
185S33.9Very low34.2Very low112 Ų112129.7 Ų129.778%0.78378%0.775SS**  61.3144.1128-40.60000123.3
186Q31.9Very low33.8Very low175 Ų175136.7 Ų136.782%0.81878%0.783SS**  trans-65.6166.3169.3-47.4174.7-62.200112
187P41.3Very low33.3Very low121 Ų121142.7 Ų142.779%0.78679%0.786SS**  -131176.763.215.310.8000112.8
188V28.7Very low32.8Very low110 Ų110140.3 Ų140.367%0.66778%0.781SS**  cis84.2106.831.6-178.40000116.4
189Q29.4Very low32.4Very low162 Ų162143.4 Ų143.476%0.75779%0.793SS**  trans59.5136.8149.2-81.5179.7-45.500125.7
190N28.5Very low32.1Very low114 Ų114140.4 Ų140.461%0.6178%0.784SS**  trans89.8119.3132.9-78.48.2000124.6
191Q30.3Very low32.4Very low149 Ų149135.7 Ų135.770%0.69678%0.782SS**  67.3121.6125.6-65.1179.120.100123.1
192E28.6Very low33.2Very low172 Ų172137.8 Ų137.880%0.80478%0.783SS**  trans32.8124.2135.8-71.2153.385.800120.3
193S32Very low33.1Very low126 Ų126140.4 Ų140.488%0.88178%0.782SS**  170.1167.675.246.20000111.4
194G31.6Very low33.2Very low73 Ų73139.6 Ų139.675%0.75378%0.779SS**  trans116.560.1148.500000123.2
195S31.2Very low34Very low96 Ų96142.5 Ų142.567%0.67179%0.786SS**  53.2116.8126.6-160.60000123.8
196R33.7Very low34.5Very low235 Ų235143.4 Ų143.489%0.88779%0.789SS**  trans75.7144.9146.7-63.3165.9-164.9-132.2-2.2118.1
197R32.9Very low34.7Very low248 Ų248146.2 Ų146.294%0.93679%0.792SS**  cis-160.21478-155.2-179.6-176-137.93.5110.6
198G30.8Very low34.5Very low72 Ų72145.2 Ų145.274%0.74279%0.794SS**  trans130.691.7147.200000121.9
199S31.7Very low35.1Very low128 Ų128149.2 Ų149.290%0.89581%0.806SS**  trans69.4137.1135.8-1420000124.9
200A33.5Very low35.4Very low86 Ų86147.1 Ų147.171%0.71181%0.809SS**  trans77.793.3150.400000122.3
201V43.7Very low36.2Very low144 Ų144149.4 Ų149.487%0.87382%0.82SS**  43.2138.8119.4-179.80000120.4
202P47.8Very low36.7Very low114 Ų114149.2 Ų149.274%0.7482%0.824SS**  trans-104.8175.6-154.942.4-35.7000115.2
203E30Very low37.1Very low166 Ų166147.4 Ų147.478%0.77683%0.825SS**  trans-175.1165.1145.1-112.9-65.6104.500113.9
204R35.3Very low37.2Very low221 Ų221149.2 Ų149.283%0.83482%0.823SS**  trans79.3104160.1-72.7-178.9176.2-172.2-4.2123.1
205L48.2Very low37.2Very low168 Ų168151.2 Ų151.288%0.8883%0.826SS**  trans-61.8145.7142.4-63155.6000112
206P43Very low37.2Very low132 Ų132155.2 Ų155.286%0.85783%0.834SS**  trans-91.1107.3157.932-27.9000111.1
207R35.7Very low37.2Very low233 Ų233148.7 Ų148.788%0.87983%0.825SS**  trans-86.5114.5166.6178.1-178.6178.2102.6-4.8108.2
208A38.8Very low36.9Very low101 Ų101147.9 Ų147.984%0.83582%0.822SS**PPolyproline II helixtrans-66.7138.9177.200000111.3
209Q39.6Very low37Very low194 Ų194151.5 Ų151.591%0.90782%0.823SS**PPolyproline II helixtrans-93.8148-172.6-67.4169.2-44.400111.6
210S36Very low37Very low118 Ų118153.8 Ų153.883%0.82582%0.82SS**PPolyproline II helixtrans-85.8141168.5-179.80000108.8
211L45.3Very low36.9Very low162 Ų162158 Ų15885%0.84883%0.83SS**PPolyproline II helixtrans-98.4145.6175.5-89.3169.7000111.9
212D41.4Very low36.1Very low145 Ų145154.1 Ų154.178%0.77582%0.82SS**PPolyproline II helixtrans-66.7144.3-177.7-54.5-95.1000114.4
213V36.3Very low35.3Very low134 Ų134153.8 Ų153.881%0.81283%0.827SS**  trans-137.596.1147.1-179.70000109.7
214L34.8Very low35.6Very low163 Ų163150.4 Ų150.485%0.85383%0.827SS**  trans43.1111140.4-54178.3000119.2
215S32.3Very low36.6Very low116 Ų116145.4 Ų145.481%0.81182%0.823SS**  trans-125.2128.7145.5-67.50000108
216E31Very low35.8Very low180 Ų180142.7 Ų142.784%0.84182%0.818SS**  trans-157.5150.8148.2-118.9179.8106.300111.7
217S32.8Very low35.4Very low98 Ų98141.4 Ų141.469%0.68581%0.812SS**  trans-125136.4-169.6166.80000108.6
218W27.6Very low35.3Very low231 Ų231135.3 Ų135.388%0.87581%0.806SS**  trans-133146.3172.8-86.382.5000112.4
219L33Very low35.2Very low147 Ų147135.8 Ų135.877%0.7780%0.803SS**  trans-103.3-178.9-162.5-76.1166.9000113.8
220Q31.4Very low35Very low177 Ų177131.4 Ų131.483%0.82779%0.793SS**  trans-62.4139.2-173.4-64.6133.825.900115.8
221D30.9Very low35Very low173 Ų173130.8 Ų130.893%0.92579%0.789SS**  -170.1178.1115.2-127.1-10.9000110.3
222G27.8Very low34.5Very low64 Ų64128 Ų12866%0.6679%0.789SS**  cis174.121.2-1.300000118.8
223A29.7Very low34.2Very low107 Ų107125.8 Ų125.888%0.88479%0.791SS**  trans-142146.4-172.700000116
224A36.4Very low34.2Very low95 Ų95124.8 Ų124.879%0.78579%0.79SS**  trans-132.5-164.3177.700000109.4
225P56.9Low34.3Very low116 Ų116129 Ų12975%0.75380%0.795SS**  cis-131.5174.8-23.939.3-23.8000113.8
226S31.2Very low34.5Very low111 Ų111128 Ų12878%0.77679%0.788SS**  trans173.8118.4130.944.70000117.2
227S33.9Very low35.1Very low105 Ų105127.1 Ų127.173%0.73479%0.789SS**  trans56.1142.7136.862.70000126.3
228S34.3Very low35.1Very low105 Ų105128.7 Ų128.773%0.73479%0.79SS**  trans81.7104.8153.376.80000116.8
229S35.6Very low35.9Very low111 Ų111122.1 Ų122.178%0.77678%0.779SS**  80.1136.687.472.90000113.1
230S35.4Very low36.4Very low101 Ų101123.2 Ų123.271%0.70678%0.784SS**  cis-168.6157.99.8420000112.2
231S36.5Very low36.3Very low106 Ų106123.1 Ų123.174%0.74178%0.781SS**  trans57.7132.4142.962.90000123.6
232A34.7Very low36.5Very low103 Ų103119.3 Ų119.385%0.85177%0.768SS**  trans68.2138.115000000117.9
233A35.9Very low37.1Very low99 Ų99122.1 Ų122.182%0.81878%0.778SS**  cis-155.4163.339.400000113.9
234S35.7Very low37.1Very low112 Ų112126.2 Ų126.278%0.78378%0.776SS**  trans-64.7152.7177.6-39.60000113.9
235R37.2Very low37Very low251 Ų251127 Ų12795%0.94778%0.776SS**  trans-157.2119.1137.2-114.5164.1-179.5-153.2-5.1112.5
236S35.9Very low36.3Very low95 Ų95126.5 Ų126.566%0.66478%0.775SS**  trans-72.7157.5176.6-40.80000112
237N45Very low36.4Very low162 Ų162127.3 Ų127.387%0.86678%0.781SS**  -163.3139.6112.6-103.813.2000112.3
238D33Very low36.7Very low132 Ų132128 Ų12871%0.70679%0.785SS**  trans-67.6142.8177.3-80.7-75.8000113.1
239S42.7Very low36.8Very low93 Ų93128 Ų12865%0.6579%0.792SS**  94166.558.1-56.10000112.6
240I43.6Very low36.9Very low170 Ų170128 Ų12887%0.87279%0.792SS**  trans88.2123.1175.6-52.6164.4000113.6
241F31.2Very low36.9Very low174 Ų174128.7 Ų128.776%0.76380%0.796SS**  cis-160.2114.1-3.7166.5-89000107.2
242S34.2Very low36.9Very low94 Ų94128.8 Ų128.866%0.65780%0.797SS**  69.3114.187.5-61.10000115.8
243S39.6Very low36.8Very low123 Ų123129.7 Ų129.786%0.8680%0.797SS**  trans-74.8155.2164.441.40000111.5
244F29.8Very low36.7Very low192 Ų192130.6 Ų130.684%0.84280%0.798SS**  trans-116.5142.2168.480.8-87.9000110.6
245S33.8Very low36.6Very low112 Ų112133.9 Ų133.978%0.78381%0.805SS**  trans-143131.5165.3-80.70000109.3
246S44.2Very low36.7Very low105 Ų105131.6 Ų131.673%0.73480%0.803SS**  trans56.4133.9148.4-53.80000120.9
247S32.5Very low36.4Very low129 Ų129134.9 Ų134.990%0.90281%0.813SS**  trans-150.3131.3136.6-79.10000110
248S40.1Very low35.7Very low118 Ų118134.6 Ų134.683%0.82581%0.806SS**  trans-99.4161.1174.8-49.90000109.9
249A36.8Very low35.6Very low106 Ų106132.3 Ų132.388%0.87680%0.8SS**  trans-145.3141.9157.800000110.2
250S37.7Very low35.1Very low111 Ų111139.5 Ų139.578%0.77681%0.813SS**  trans-134.1148.2-168.8-46.40000110.9
251S34.5Very low34.8Very low115 Ų115142.8 Ų142.880%0.80482%0.815SS**  trans177.1117151.7-76.60000107.2
252S37.3Very low35.6Very low108 Ų108140.3 Ų140.376%0.75582%0.816SS**  cis95.910742.871.70000113.9
253S31.2Very low35.6Very low123 Ų123142.6 Ų142.686%0.8682%0.821SS**  trans177139.7135.753.60000111.5
254S35.1Very low36Very low118 Ų118141.6 Ų141.683%0.82581%0.812SS**  trans-123139.4176-56.10000110.4
255L33.9Very low36.1Very low180 Ų180138.3 Ų138.394%0.94281%0.807SS**  trans-147.1147.9154.1-79.5-175.5000110.9
256K38.1Very low36Very low204 Ų204143.3 Ų143.389%0.88781%0.809SS**  trans-80.9156.6167.1-63171.8169.7-177.30109.7
257D29.7Very low35.5Very low164 Ų164142.8 Ų142.888%0.87781%0.805SS**  -160.1173.5123-154.9-147.2000112.7
258E30.9Very low35.8Very low156 Ų156141.3 Ų141.373%0.72980%0.795SS**  trans-121.3170-165.3-158.2-165.575.600113
259S31Very low35.7Very low84 Ų84147.4 Ų147.459%0.58780%0.8SS**  trans80.2117.9146.8-90.70000121.8
260R32Very low35.7Very low243 Ų243148.4 Ų148.492%0.91780%0.801SS**  trans114.3138.1143.2-65.8170.4-169.5-110.1-1.6120.4
261R37.2Very low35.7Very low240 Ų240148.3 Ų148.391%0.90680%0.8SS**  trans-83.2178.9-179-69.6-179.4171.5-167.4-2.8111.5
262P48.4Very low35.9Very low121 Ų121150.3 Ų150.379%0.78681%0.807SS**  cis-141.2176.814.840.8-20000119.5
263D33.6Very low35.7Very low143 Ų143148.6 Ų148.677%0.76581%0.807SS**  trans-25.6155.8153.6-108.8-64.5000117.4T265D263-T265 PolarHBondContact OD1-N 3.47Å
264P48.9Very low36.1Very low102 Ų102148.9 Ų148.966%0.66281%0.809SS**  -153.3144.371.638-17.1000120.3
265T31.5Very low36.3Very low122 Ų122148.7 Ų148.775%0.74881%0.808SS**  trans66141.9145650000118.1D263D263-T265 PolarHBondContact OD1-N 3.47Å
266R32.3Very low36.7Very low217 Ų217152.4 Ų152.482%0.81981%0.809SS**  178.9141.553.1-173.1176.2161.5-102.66.9110
267S33.4Very low36.8Very low94 Ų94147.9 Ų147.966%0.65780%0.803SS**  trans58.5145158.750.90000119.6
268S38.1Very low37.4Very low99 Ų99145.1 Ų145.169%0.69280%0.803SS**  cis-170.3143.1-3.439.40000112.4
269R37.5Very low37.6Very low246 Ų246141 Ų14193%0.92880%0.803SS**  trans31.3121.6140.9-65174154.7-170.6-8120.2
270S38.2Very low38.2Very low127 Ų127143.5 Ų143.589%0.88881%0.814SS**  -161.4150.511359.70000111.3
271S37.6Very low38.5Very low108 Ų108140 Ų14076%0.75581%0.814SS**  trans-135.3125.3-168.554.20000111.9
272T37.2Very low38.6Very low157 Ų157131.7 Ų131.796%0.96380%0.802SS**  trans-178.1148.415620.60000107.6
273G34.5Very low38.5Very low72 Ų72131.7 Ų131.774%0.74281%0.805SS**  cis-166.9165.9-2.400000110
274S39.9Very low39.2Very low129 Ų129133.2 Ų133.290%0.90281%0.808SS**  trans-78.4144.4-169.3-470000114.7
275S37.5Very low39.5Very low115 Ų115133.6 Ų133.680%0.80481%0.811SS**  trans-153.8124.7139.252.70000111.2
276R43.7Very low40.6Very low257 Ų257132.1 Ų132.197%0.9781%0.811SS**  trans-93.1129.6168.2-75.3169.9153.7-171.9-8.3107.8
277S39Very low41.9Very low110 Ų110127.4 Ų127.477%0.76981%0.808SS**  trans-128.6123.6165.9180000108.5G279S277-G279 PolarHBondContact O-N 3.43Å
278A43.9Very low43.5Very low106 Ų106125.9 Ų125.988%0.87680%0.801SS**  trans-71.6115.7176.500000109.2T280A278-T280 PolarHBondContact O-N 3.05Å
279G34.8Very low44.9Very low70 Ų70123.1 Ų123.172%0.72278%0.781SS**  trans-72.8121.4171.300000110.1S277S277-G279 PolarHBondContact O-N 3.43Å
280T42.4Very low46.5Very low135 Ų135117 Ų11783%0.82878%0.776SS**  trans-66.1131.8166.247.90000109.4A278 G282A278-T280 PolarHBondContact O-N 3.05Å; T280-G282 VanDerWaalsContact C-N 3.3Å; T280-G282 PolarHBondContact O-N 2.81Å
281N39.8Very low47.9Very low171 Ų171113.5 Ų113.591%0.91475%0.749SS**  trans-66.289.3170.1-79.4-1.1000109.8
282G37.8Very low49.2Very low64 Ų64110.8 Ų110.866%0.6673%0.729SS**  trans-82.7120.4159.800000108.4T280 E284T280-G282 VanDerWaalsContact C-N 3.3Å; T280-G282 PolarHBondContact O-N 2.81Å; G282-E284 PolarHBondContact O-N 2.88Å; G282-E284 VanDerWaalsContact O-N 3.08Å
283S47.5Very low50.6Low121 Ų121114.8 Ų114.885%0.84673%0.726SS**  trans-62.4109.8170.2-54.70000108.8
284E48.2Very low52.1Low175 Ų175119 Ų11982%0.81872%0.72SS**PPolyproline II helixtrans-64.1122.1175.3-170.7172.5106.900108.8G282 A286G282-E284 PolarHBondContact O-N 2.88Å; G282-E284 VanDerWaalsContact O-N 3.08Å; E284-A286 PolarHBondContact O-N 2.87Å
285P55.4Low53.2Low111 Ų111116.2 Ų116.272%0.72170%0.698SS**PPolyproline II helixtrans-65.8136.417527.9-33.1000109
286A53.2Low54.8Low91 Ų91114.4 Ų114.475%0.75268%0.68SS**PPolyproline II helixtrans-51.6141.8-176.100000111.9E284 A288E284-A286 PolarHBondContact O-N 2.87Å; A286-A288 PolarHBondContact O-N 3.25Å; A286-A288 VanDerWaalsContact O-N 3.11Å
287P61.3Low55.9Low118 Ų118106.5 Ų106.577%0.76666%0.66SS**PPolyproline II helixtrans-60.7119-176.124.1-33.9000110.5
288A65.3Low57.1Low61 Ų61106.9 Ų106.950%0.50465%0.65SS.*PPolyproline II helixtrans-58.6135.7-177.900000111A286A286-A288 PolarHBondContact O-N 3.25Å; A286-A288 VanDerWaalsContact O-N 3.11Å
289P68.6Low58.2Low42 Ų42106.1 Ų106.127%0.27363%0.628SS.*PPolyproline II helixtrans-66.7148.7-173.422.7-29000111.8V35 P82 Y83 V291V35-P289 HydrophobicContact CG2-CG 4.34Å; P82-P289 HydrophobicContact CB-CB 3.83Å; P82-P289 HydrophobicContact CB-CG 4.13Å; P82-P289 WeakPolarHBondContact O-CG 3.37Å; Y83-P289 HydrophobicContact CD2-CG 3.79Å; Y83-P289 HydrophobicContact CE2-CG 3.76Å; Y83-P289 VanDerWaalsContact CE2-O 3.24Å; Y83-P289 WeakPolarHBondContact CE2-O 3.32Å; Y83-P289 HydrophobicContact CG-CG 4.29Å; Y83-P289 PolarHBondContact OH-O 3.2Å; P289-V291 PolarHBondContact O-N 3.06Å; P289-V291 VanDerWaalsContact O-N 3.08Å
290S70.1Confident59.8Low117 Ų117105.4 Ų105.482%0.81861%0.607SS**  trans-68.2109.5-174.9-73.40000112.3P292S290-P292 WeakPolarHBondContact O-CD 3.47Å
291V68.3Low60.7Low53 Ų53100.1 Ų100.132%0.32157%0.574SS.*PPolyproline II helixtrans-66.2123.8176.8-177.20000110.7Y38 W66 P80 Y83 P289 R293Y38-V291 HydrophobicContact CE2-CG2 4.26Å; W66-V291 HydrophobicContact CH2-CG1 4.37Å; W66-V291 HydrophobicContact CZ2-CG1 4.21Å; P80-V291 HydrophobicContact CB-CG1 4.24Å; Y83-V291 HydrophobicContact CD2-CG2 4.24Å; Y83-V291 HydrophobicContact CE2-CG2 3.3Å; P289-V291 PolarHBondContact O-N 3.06Å; P289-V291 VanDerWaalsContact O-N 3.08Å; V291-R293 PolarHBondContact O-N 2.81Å
292P64.6Low62Low51 Ų5197.2 Ų97.233%0.33156%0.562SS.*PPolyproline II helixtrans-60.4129.6169.2-2132.8000110.4W66 S290 R294W66-P292 WeakPolarHBondContact CZ2-O 3.46Å; S290-P292 WeakPolarHBondContact O-CD 3.47Å; P292-R294 PolarHBondContact O-N 2.74Å; P292-R294 VanDerWaalsContact O-N 3.14Å
293R67.8Low63.2Low242 Ų242103.1 Ų103.191%0.91356%0.564SS**PPolyproline II helixtrans-60.2122.7179.3-70.8-170.4177.5-158.5-0.5109.9V291V291-R293 PolarHBondContact O-N 2.81Å
294R65.4Low63.7Low160 Ų16099.5 Ų99.560%0.60454%0.539SS*.PPolyproline II helixtrans-57.6126.7173.2-174.2175.8-178.2152.13.5108.8W66 P292W66-R294 HydrophobicContact CH2-CB 4.32Å; W66-R294 HydrophobicContact CZ2-CB 3.76Å; W66-R294 HydrophobicContact CZ2-CG 4.42Å; P292-R294 PolarHBondContact O-N 2.74Å; P292-R294 VanDerWaalsContact O-N 3.14Å
295P61.9Low64.8Low70 Ų7094.9 Ų94.946%0.45553%0.525SS..PPolyproline II helixtrans-62143-179.723.1-32.3000111I300P295-I300 HydrophobicContact CB-CG1 4.35Å; P295-I300 HydrophobicContact CG-CD1 4.29Å; P295-I300 HydrophobicContact CG-CG1 4.43Å
296D71.6Confident65.3Low78 Ų7894.7 Ų94.742%0.41752%0.522SS..PPolyproline II helixtrans-70.6147.6-179.817842.3000111.6Q298 E299 I300D296-Q298 PolarHBondContact O-N 3.34Å; D296-Q298 VanDerWaalsContact O-N 3.15Å; D296-Q298 VanDerWaalsContact OD2-CB 3.24Å; D296-Q298 WeakPolarHBondContact OD2-CB 3.14Å; D296-Q298 VanDerWaalsContact OD2-CG 3.29Å; D296-Q298 WeakPolarHBondContact OD2-CG 3.36Å; D296-Q298 PolarHBondContact OD2-N 3.09Å; D296-Q298 VanDerWaalsContact OD2-N 3.07Å; D296-E299 PolarHBondContact O-N 3.06Å; D296-I300 WeakPolarHBondContact O-CG1 3.43Å; D296-I300 PolarHBondContact O-N 2.95Å; D296-I300 VanDerWaalsContact O-N 3.09Å
297T66.6Low65.5Low90 Ų9097.3 Ų97.355%0.55252%0.521SS*.Hα-helixtrans-49.7-35173.358.10000113.3L301T297-L301 WeakPolarHBondContact O-CD1 3.35Å; T297-L301 VanDerWaalsContact O-CG 3.23Å; T297-L301 WeakPolarHBondContact O-CG 3.4Å; T297-L301 PolarHBondContact O-N 3.1Å; T297-L301 VanDerWaalsContact O-N 3.12Å
298Q64.1Low65.8Low118 Ų11894.7 Ų94.755%0.55150%0.503SS*.Hα-helixtrans-73.1-39.2178.3-56.3-168.322.300112.2D296 L301 V302D296-Q298 PolarHBondContact O-N 3.34Å; D296-Q298 VanDerWaalsContact O-N 3.15Å; D296-Q298 VanDerWaalsContact OD2-CB 3.24Å; D296-Q298 WeakPolarHBondContact OD2-CB 3.14Å; D296-Q298 VanDerWaalsContact OD2-CG 3.29Å; D296-Q298 WeakPolarHBondContact OD2-CG 3.36Å; D296-Q298 PolarHBondContact OD2-N 3.09Å; D296-Q298 VanDerWaalsContact OD2-N 3.07Å; Q298-L301 PolarHBondContact O-N 2.96Å; Q298-V302 WeakPolarHBondContact O-CG2 3.39Å; Q298-V302 PolarHBondContact O-N 2.55Å; Q298-V302 VanDerWaalsContact O-N 3.1Å
299E68.4Low65.9Low91 Ų9196.9 Ų96.943%0.42550%0.498SS..Hα-helixtrans-65.6-39.2175.3-69.5-159.2102.400112.3D296 L301 V302 R303D296-E299 PolarHBondContact O-N 3.06Å; E299-L301 VanDerWaalsContact C-N 3.35Å; E299-V302 PolarHBondContact O-N 2.67Å; E299-R303 PolarHBondContact O-N 2.78Å; E299-R303 IonicContact OE1-CZ 3.5Å; E299-R303 IonicContact OE1-NH1 2.7Å; E299-R303 PolarHBondContact OE1-NH1 2.85Å; E299-R303 IonicContact OE1-NH2 3.82Å
300I68.4Low65.7Low54 Ų54101.9 Ų101.928%0.27752%0.515SS..Hα-helixtrans-61-44.9175.2-64.3167.3000110.1P295 D296 V302 C304 T308P295-I300 HydrophobicContact CB-CG1 4.35Å; P295-I300 HydrophobicContact CG-CD1 4.29Å; P295-I300 HydrophobicContact CG-CG1 4.43Å; D296-I300 WeakPolarHBondContact O-CG1 3.43Å; D296-I300 PolarHBondContact O-N 2.95Å; D296-I300 VanDerWaalsContact O-N 3.09Å; I300-V302 VanDerWaalsContact C-N 3.29Å; I300-V302 PolarHBondContact O-N 3.29Å; I300-C304 WeakPolarHBondContact O-CB 3.45Å; I300-C304 PolarHBondContact O-N 3.25Å; I300-C304 PolarHBondContact O-SG 2.91Å; I300-T308 HydrophobicContact CG2-CG2 4.44Å
301L60Low65.3Low25 Ų2599.6 Ų99.613%0.13150%0.504CS..Hα-helixtrans-62-35.7177.2-74167000112.6T297 Q298 E299 R309 A312 L313T297-L301 WeakPolarHBondContact O-CD1 3.35Å; T297-L301 VanDerWaalsContact O-CG 3.23Å; T297-L301 WeakPolarHBondContact O-CG 3.4Å; T297-L301 PolarHBondContact O-N 3.1Å; T297-L301 VanDerWaalsContact O-N 3.12Å; Q298-L301 PolarHBondContact O-N 2.96Å; E299-L301 VanDerWaalsContact C-N 3.35Å; L301-R309 HydrophobicContact CD2-CG 3.85Å; L301-R309 VanDerWaalsContact O-CZ 3.28Å; L301-R309 PolarHBondContact O-NE 3.28Å; L301-R309 PolarHBondContact O-NH2 2.97Å; L301-R309 VanDerWaalsContact O-NH2 3.08Å; L301-A312 HydrophobicContact CD2-CB 3.66Å; L301-A312 HydrophobicContact CG-CB 4.31Å; L301-L313 HydrophobicContact CD1-CD2 4.34Å; L301-L313 HydrophobicContact CD2-CD2 4.02Å; L301-L313 HydrophobicContact CD2-CG 3.82Å
302V66.9Low64.9Low110 Ų11098.5 Ų98.567%0.66750%0.5SS*.Hα-helixtrans-74.5-47.8178.6172.10000111.9Q298 E299 I300 R309Q298-V302 WeakPolarHBondContact O-CG2 3.39Å; Q298-V302 PolarHBondContact O-N 2.55Å; Q298-V302 VanDerWaalsContact O-N 3.1Å; E299-V302 PolarHBondContact O-N 2.67Å; I300-V302 VanDerWaalsContact C-N 3.29Å; I300-V302 PolarHBondContact O-N 3.29Å; V302-R309 PolarHBondContact O-NH2 3.09Å
303R63.9Low64.7Low188 Ų18899.9 Ų99.971%0.70950%0.504SS*.Hα-helixtrans-89-21.4-171.6-68.6-165178.393.5-1.4115.9E299E299-R303 PolarHBondContact O-N 2.78Å; E299-R303 IonicContact OE1-CZ 3.5Å; E299-R303 IonicContact OE1-NH1 2.7Å; E299-R303 PolarHBondContact OE1-NH1 2.85Å; E299-R303 IonicContact OE1-NH2 3.82Å
304C58.3Low64.4Low45 Ų4591.4 Ų91.430%0.30449%0.486SS..SBendtrans-87.9159.4-176.3-59.70000113.8I300 T308I300-C304 WeakPolarHBondContact O-CB 3.45Å; I300-C304 PolarHBondContact O-N 3.25Å; I300-C304 PolarHBondContact O-SG 2.91Å; C304-T308 HydrophobicContact CB-CG2 3.7Å
305S69.8Low64Low77 Ų7787.3 Ų87.354%0.53848%0.482SS..  trans-64.3165.4-179.975.80000113M307 T308 R309S305-M307 PolarHBondContact O-N 2.87Å; S305-T308 PolarHBondContact O-N 3.02Å; S305-T308 VanDerWaalsContact O-N 3.09Å; S305-R309 PolarHBondContact O-N 3Å
306T66Low63.7Low108 Ų10891.3 Ų91.366%0.66349%0.488SS*.Hα-helixtrans-56.3-28.2-174.6-18.60000113.8K310T306-K310 WeakPolarHBondContact O-CG 3.38Å; T306-K310 PolarHBondContact O-N 2.8Å
307M57.3Low62.8Low145 Ų14592.9 Ų92.971%0.71450%0.501SS*.Hα-helixtrans-70.2-52.9175-76.3-100.164.300111.7S305 R309 K310 A311S305-M307 PolarHBondContact O-N 2.87Å; M307-R309 VanDerWaalsContact C-N 3.3Å; M307-R309 PolarHBondContact O-N 2.96Å; M307-K310 PolarHBondContact O-N 3.33Å; M307-A311 PolarHBondContact O-N 2.83Å; M307-A311 VanDerWaalsContact O-N 3.07Å
308T69.6Low61.9Low64 Ų6499.3 Ų99.339%0.39352%0.515SS..Hα-helixtrans-62.4-38.9178.5-460000111.4I300 C304 S305 K310 A311 A312I300-T308 HydrophobicContact CG2-CG2 4.44Å; C304-T308 HydrophobicContact CB-CG2 3.7Å; S305-T308 PolarHBondContact O-N 3.02Å; S305-T308 VanDerWaalsContact O-N 3.09Å; T308-K310 PolarHBondContact O-N 2.95Å; T308-A311 PolarHBondContact O-N 3.38Å; T308-A312 WeakPolarHBondContact O-CB 3.3Å; T308-A312 PolarHBondContact O-N 3.1Å
309R65.6Low60.9Low107 Ų107100.8 Ų100.840%0.40453%0.526SS..Hα-helixtrans-59.6-43.6174.6-170.7-179.5-66.41772111.9L301 V302 S305 M307 L313L301-R309 HydrophobicContact CD2-CG 3.85Å; L301-R309 VanDerWaalsContact O-CZ 3.28Å; L301-R309 PolarHBondContact O-NE 3.28Å; L301-R309 PolarHBondContact O-NH2 2.97Å; L301-R309 VanDerWaalsContact O-NH2 3.08Å; V302-R309 PolarHBondContact O-NH2 3.09Å; S305-R309 PolarHBondContact O-N 3Å; M307-R309 VanDerWaalsContact C-N 3.3Å; M307-R309 PolarHBondContact O-N 2.96Å; R309-L313 HydrophobicContact CG-CD1 4.11Å; R309-L313 WeakPolarHBondContact O-CB 3.33Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.46Å; R309-L313 PolarHBondContact O-N 2.87Å
310K65.3Low59.5Low146 Ų146104 Ų10464%0.63554%0.541SS*.Hα-helixtrans-64-42.1175.8-81.1-176.9173.2-174.50112.4T306 M307 T308 L313 A314T306-K310 WeakPolarHBondContact O-CG 3.38Å; T306-K310 PolarHBondContact O-N 2.8Å; M307-K310 PolarHBondContact O-N 3.33Å; T308-K310 PolarHBondContact O-N 2.95Å; K310-L313 PolarHBondContact O-N 3.21Å; K310-A314 WeakPolarHBondContact O-CB 3.3Å; K310-A314 PolarHBondContact O-N 3.12Å
311A61.1Low58.3Low69 Ų69106.9 Ų106.957%0.5756%0.563SS**Hα-helixtrans-63.9-43178.100000112.3M307 T308 A314 S315M307-A311 PolarHBondContact O-N 2.83Å; M307-A311 VanDerWaalsContact O-N 3.07Å; T308-A311 PolarHBondContact O-N 3.38Å; A311-A314 PolarHBondContact O-N 3.39Å; A311-S315 PolarHBondContact O-N 2.84Å
312A59.8Low57.2Low30 Ų30114.2 Ų114.225%0.24860%0.596CS.*Hα-helixtrans-69.8-34.417700000113.2L301 T308 S315L301-A312 HydrophobicContact CD2-CB 3.66Å; L301-A312 HydrophobicContact CG-CB 4.31Å; T308-A312 WeakPolarHBondContact O-CB 3.3Å; T308-A312 PolarHBondContact O-N 3.1Å; A312-S315 PolarHBondContact O-OG 3.06Å
313L61.9Low56.1Low80 Ų80113.4 Ų113.442%0.41960%0.601SS.*Hα-helixtrans-69.6-36.3173.6-71.8172.1000112.1L301 R309 K310 S315 R316 T317L301-L313 HydrophobicContact CD1-CD2 4.34Å; L301-L313 HydrophobicContact CD2-CD2 4.02Å; L301-L313 HydrophobicContact CD2-CG 3.82Å; R309-L313 HydrophobicContact CG-CD1 4.11Å; R309-L313 WeakPolarHBondContact O-CB 3.33Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.46Å; R309-L313 PolarHBondContact O-N 2.87Å; K310-L313 PolarHBondContact O-N 3.21Å; L313-S315 VanDerWaalsContact C-N 3.26Å; L313-S315 PolarHBondContact O-N 2.75Å; L313-R316 WeakPolarHBondContact O-CB 3.26Å; L313-R316 PolarHBondContact O-N 2.95Å; L313-T317 PolarHBondContact O-N 2.91Å; L313-T317 PolarHBondContact O-OG1 3.45Å
314A60.3Low55Low65 Ų65110.5 Ų110.554%0.53760%0.6SS.*Hα-helixtrans-61.6-31.417700000113.3K310 A311K310-A314 WeakPolarHBondContact O-CB 3.3Å; K310-A314 PolarHBondContact O-N 3.12Å; A311-A314 PolarHBondContact O-N 3.39Å
315S57.3Low54.6Low74 Ų74114 Ų11452%0.51762%0.622SS.*Hα-helixtrans-74.4-26173.269.20000113A311 A312 L313A311-S315 PolarHBondContact O-N 2.84Å; A312-S315 PolarHBondContact O-OG 3.06Å; L313-S315 VanDerWaalsContact C-N 3.26Å; L313-S315 PolarHBondContact O-N 2.75Å
316R56Low53.6Low154 Ų154116.9 Ų116.958%0.58164%0.636SS**Hα-helixtrans-74.2-37.2178.1-162.1171.7-179.8160.5-0.4112.4L313 R318 L319L313-R316 WeakPolarHBondContact O-CB 3.26Å; L313-R316 PolarHBondContact O-N 2.95Å; R316-R318 PolarHBondContact O-N 3.16Å; R316-L319 PolarHBondContact O-N 3.27Å
317T52Low52.7Low110 Ų110119.8 Ų119.868%0.67564%0.642SS**G310 helixtrans-68.9-16.2176.3-28.60000113.3L313L313-T317 PolarHBondContact O-N 2.91Å; L313-T317 PolarHBondContact O-OG1 3.45Å
318R48.8Very low52Low225 Ų225118.6 Ų118.685%0.84965%0.648SS**G310 helixtrans-86-6.7-179.3-154.3176.8-168.4-131.40.6114.2R316R316-R318 PolarHBondContact O-N 3.16Å
319L43Very low50.9Low150 Ų150126.3 Ų126.379%0.78567%0.67SS**G310 helixtrans-115.812.4-176.7-68.1176.3000113.8R316 P321R316-L319 PolarHBondContact O-N 3.27Å; L319-P321 WeakPolarHBondContact O-CD 3.46Å
320Q39.2Very low50Low159 Ų159132.9 Ų132.974%0.74371%0.712SS**PPolyproline II helixtrans-86.3116.9170.9-168.1156.98.800109.1Q322Q320-Q322 PolarHBondContact O-N 3.06Å
321P41.7Very low49.3Very low114 Ų114132.3 Ų132.374%0.7472%0.716SS**PPolyproline II helixtrans-61.1136.7169.7-16.630.6000108.6L319 A323L319-P321 WeakPolarHBondContact O-CD 3.46Å; P321-A323 PolarHBondContact O-N 3.05Å
322Q38.1Very low48.7Very low178 Ų178135.6 Ų135.683%0.83272%0.723SS**PPolyproline II helixtrans-62.8121.3163-78.7-132.5-92.100108Q320 D324Q320-Q322 PolarHBondContact O-N 3.06Å; Q322-D324 PolarHBondContact O-N 3.42Å
323A42.4Very low48Very low93 Ų93141.4 Ų141.477%0.76975%0.75SS**  trans-81.1109.2161.400000107.1P321P321-A323 PolarHBondContact O-N 3.05Å
324D42.6Very low47.2Very low128 Ų128145.1 Ų145.168%0.68477%0.769SS**  trans-63.6132.9175.2-70.5-49.7000110.5Q322 V326Q322-D324 PolarHBondContact O-N 3.42Å; D324-V326 PolarHBondContact O-N 3.14Å
325P48.4Very low46.4Very low119 Ų119150.1 Ų150.177%0.77378%0.784SS**  trans-76.391.7174.830.9-32.9000109.8H327P325-H327 PolarHBondContact O-N 3.12Å
326V49.7Very low45.7Very low137 Ų137155.1 Ų155.183%0.8380%0.801SS**  trans-66.2127.6172.7-177.60000109.7D324 S328D324-V326 PolarHBondContact O-N 3.14Å; V326-S328 PolarHBondContact O-N 2.96Å
327H47.5Very low45Very low168 Ų168155.2 Ų155.278%0.77882%0.817SS**  trans-53.8127.6-178.8-76.5-108000113P325 R329P325-H327 PolarHBondContact O-N 3.12Å; H327-R329 PolarHBondContact O-N 3.19Å
328S42.4Very low44.4Very low121 Ų121158.7 Ų158.785%0.84683%0.828SS**  trans-86.4102.4155.9-1620000109.3V326V326-S328 PolarHBondContact O-N 2.96Å
329R46.2Very low44Very low226 Ų226153.2 Ų153.285%0.85383%0.826SS**  trans-120.2107.5157.8-91.1-166.7178.1-162.52107.4H327H327-R329 PolarHBondContact O-N 3.19Å
330L47.4Very low44.1Very low245 Ų245153.5 Ų153.5100%1.28383%0.83SS**  trans-178.80130.5-94.6161.9000108.7

Retrieved 330 of 330 residues in 588.6 ms (Link to these results)