A0A077YW22_TRITR Loading...

Arrestin C and Arrestin N domain containing prote in

AlphaFold DB , UniProt , Accession A0A077YW22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 326 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
1K34.9Very low33.1Very low257 Ų257181.4 Ų181.4100%1.11786%0.855SS**  0134.90-78.7179.1171.9-179.70107
2E34.8Very low32.5Very low182 Ų182175.2 Ų175.285%0.8584%0.838SS**  trans-18.2157-179.3-75.6136.2139.900118.5
3S32.3Very low31.9Very low94 Ų94171 Ų17166%0.65784%0.836SS**  cis174.9136.8-8.158.80000103.6
4L37.9Very low31.6Very low148 Ų148166.3 Ų166.378%0.77582%0.822SS**  trans178.268.2152-100142.3000109.2R6L4-R6 HydrophobicContact CD2-CG 4.32Å; L4-R6 PolarHBondContact O-N 3.38Å
5R34.9Very low31.1Very low248 Ų248166.3 Ų166.394%0.93682%0.819SS**  trans-8594.3161.9-81.1-173.9175-175.2-1.3107.9R7R5-R7 PolarHBondContact O-N 2.82Å
6R38.6Very low31.1Very low229 Ų229165.1 Ų165.186%0.86482%0.815SS**  trans-70120.4169.1-76.8-174178.1-175.5-0.3108.8L4 G8L4-R6 HydrophobicContact CD2-CG 4.32Å; L4-R6 PolarHBondContact O-N 3.38Å; R6-G8 PolarHBondContact O-N 2.81Å
7R32.3Very low30.5Very low245 Ų245166.1 Ų166.193%0.92581%0.814SS**  trans-70.7107.8-179.9-68.9176.4176.8-178.3-1.9109.8R5 R9R5-R7 PolarHBondContact O-N 2.82Å; R7-R9 PolarHBondContact O-N 3.06Å
8G31.7Very low30.5Very low68 Ų68161.6 Ų161.670%0.70181%0.808SS**  trans-71.3116.6159.600000109.3R6 I10R6-G8 PolarHBondContact O-N 2.81Å; G8-I10 VanDerWaalsContact C-N 3.35Å; G8-I10 PolarHBondContact O-N 2.74Å
9R30.1Very low30.9Very low253 Ų253158.7 Ų158.796%0.95580%0.802SS**  trans-70.692.6166.8-88.2-178.2176.9167.6-0.8107.9R7R7-R9 PolarHBondContact O-N 3.06Å
10I29.3Very low30.8Very low146 Ų146160.8 Ų160.875%0.74981%0.805SS**  trans-86.7105161.1-56.8177.6000105.9G8 V12G8-I10 VanDerWaalsContact C-N 3.35Å; G8-I10 PolarHBondContact O-N 2.74Å; I10-V12 VanDerWaalsContact C-N 3.28Å; I10-V12 HydrophobicContact CB-CG2 4.43Å; I10-V12 HydrophobicContact CG2-CG2 3.54Å; I10-V12 PolarHBondContact O-N 3.43Å
11S27.1Very low30.8Very low125 Ų125156.9 Ų156.987%0.87480%0.799SS**  trans-76.984.8171-158.70000107.9C13S11-C13 PolarHBondContact O-N 3.17Å
12V26.5Very low30.6Very low107 Ų107152.8 Ų152.865%0.64878%0.783SS**  trans-76.7110.9171.6-177.30000107.5I10 V14I10-V12 VanDerWaalsContact C-N 3.28Å; I10-V12 HydrophobicContact CB-CG2 4.43Å; I10-V12 HydrophobicContact CG2-CG2 3.54Å; I10-V12 PolarHBondContact O-N 3.43Å; V12-V14 HydrophobicContact CG1-CG2 4.23Å; V12-V14 PolarHBondContact O-N 2.87Å
13C24.6Very low30.3Very low121 Ų121155 Ų15582%0.81878%0.783SS**  trans-72.194.9172.7-155.10000108.2S11 Q15S11-C13 PolarHBondContact O-N 3.17Å; C13-Q15 PolarHBondContact O-N 3.28Å
14V27Very low30.7Very low105 Ų105155.5 Ų155.564%0.63679%0.785SS**  trans-78.6103.7176.5-171.60000108.5V12 I16V12-V14 HydrophobicContact CG1-CG2 4.23Å; V12-V14 PolarHBondContact O-N 2.87Å; V14-I16 HydrophobicContact CB-CG1 4.43Å; V14-I16 HydrophobicContact CG1-CD1 4.09Å; V14-I16 HydrophobicContact CG1-CG1 3.45Å; V14-I16 VanDerWaalsContact CG1-CG1 3.45Å; V14-I16 PolarHBondContact O-N 3.35Å
15Q24.5Very low30.2Very low167 Ų167154.8 Ų154.878%0.7879%0.787SS**  trans-75.997.1161.7-81.4178.8-58.900108.3C13C13-Q15 PolarHBondContact O-N 3.28Å
16I30.5Very low29.7Very low147 Ų147149.1 Ų149.175%0.75478%0.784SS**  trans-85.4115.6168.2-56.4-176.9000107.8V14V14-I16 HydrophobicContact CB-CG1 4.43Å; V14-I16 HydrophobicContact CG1-CD1 4.09Å; V14-I16 HydrophobicContact CG1-CG1 3.45Å; V14-I16 VanDerWaalsContact CG1-CG1 3.45Å; V14-I16 PolarHBondContact O-N 3.35Å
17F21.9Very low29.2Very low181 Ų181143.3 Ų143.379%0.79478%0.778SS**  trans-89.2140.9168.2-100.9-91.7000110.7
18A29.5Very low29Very low85 Ų85136.5 Ų136.570%0.70277%0.767SS**  trans81.1162.515900000118.5
19P39.1Very low29.1Very low107 Ų107140.6 Ų140.670%0.69577%0.771SS**  cis-139.9179.9-44.636.5-18.5000114.9
20F29.5Very low29.1Very low200 Ų200136.1 Ų136.188%0.87776%0.761SS**  trans79.5114.5157.2-80.2-81.3000122.6
21A30Very low29.2Very low80 Ų80140.1 Ų140.166%0.66177%0.766SS**  83.6112.1125.600000122.4
22H30.3Very low29.2Very low170 Ų170138.9 Ų138.979%0.78775%0.753SS**  trans82.999.8137.2-76.8-33.5000122.3
23R28.6Very low29.4Very low228 Ų228139.9 Ų139.986%0.8676%0.76SS**  trans73.2152.2135.9-70.1-170.2-177.7-161.42118.9
24P39.8Very low29.7Very low106 Ų106141.3 Ų141.369%0.68876%0.757SS**  cis-129.2159.4-10.931.9-11.6000116.4
25T28.1Very low30.4Very low133 Ų133142.9 Ų142.982%0.81676%0.762SS**  trans56.6103.7149.154.40000120.8S27T25-S27 PolarHBondContact O-N 2.93Å; T25-S27 VanDerWaalsContact O-N 3.15Å
26C23.8Very low31.4Very low129 Ų129140.4 Ų140.487%0.87275%0.751SS**  trans-35.4105.3158.1-71.60000114.1
27S29.6Very low32.6Very low107 Ų107137 Ų13775%0.74873%0.734SS**  trans-79.7107.8140.8163.90000105.8T25 I29T25-S27 PolarHBondContact O-N 2.93Å; T25-S27 VanDerWaalsContact O-N 3.15Å; S27-I29 PolarHBondContact O-N 3.44Å
28C28.3Very low35Very low101 Ų101136.3 Ų136.368%0.68273%0.731SS**  trans-45.8109.7168-65.50000108.4H30C28-H30 PolarHBondContact O-N 2.95Å
29I33.7Very low37.4Very low155 Ų155133.7 Ų133.780%0.79571%0.706SS**  trans-64.795.3161.1-63.7169.8000103.2S27 R31S27-I29 PolarHBondContact O-N 3.44Å; I29-R31 PolarHBondContact O-N 2.79Å
30H30Very low39.7Very low159 Ų159132.3 Ų132.374%0.73670%0.696SS**  trans-51.1101.4154.6-88.67.2000104.9C28 T32C28-H30 PolarHBondContact O-N 2.95Å; H30-T32 PolarHBondContact O-N 3.07Å
31R29.8Very low42.6Very low229 Ų229124.2 Ų124.286%0.86466%0.661SS**  trans-61.281.3144.3-85-173.4-174.1-1771.8104.1I29 T33I29-R31 PolarHBondContact O-N 2.79Å; R31-T33 PolarHBondContact O-N 3.4Å
32T28.6Very low45.6Very low99 Ų99122 Ų12261%0.60764%0.643SS**  trans-55.799.7150.7-41.80000102.3H30 M34H30-T32 PolarHBondContact O-N 3.07Å; T32-M34 PolarHBondContact O-N 2.83Å
33T29.8Very low48.7Very low128 Ų128114.6 Ų114.679%0.78561%0.609SS**  trans-56.989.115641.90000103.2R31 N35R31-T33 PolarHBondContact O-N 3.4Å; T33-N35 PolarHBondContact O-N 2.84Å
34M31.1Very low51.9Low152 Ų152108.8 Ų108.875%0.74959%0.592SS**  trans-55.2105.9169.5-72.9-176169.900103.2T32 M36T32-M34 PolarHBondContact O-N 2.83Å; M34-M36 PolarHBondContact O-N 3.49Å
35N41.2Very low54.6Low138 Ų138104.4 Ų104.474%0.73856%0.562SS**  trans-66.683.3172.1-170.421.8000103.2T33 D37T33-N35 PolarHBondContact O-N 2.84Å; N35-D37 PolarHBondContact O-N 2.93Å
36M46.4Very low57.9Low115 Ų115103.6 Ų103.657%0.56755%0.553SS**  trans-55111.1-175.7-76.3-173.8162.500105.9M34 K38 Y155M34-M36 PolarHBondContact O-N 3.49Å; M36-K38 WeakPolarHBondContact O-CA 3.46Å; M36-K38 PolarHBondContact O-N 3.2Å; M36-Y155 HydrophobicContact CE-CE1 4.33Å; M36-Y155 PolarHBondContact SD-OH 2.76Å
37D54.9Low61.2Low74 Ų7499.9 Ų99.940%0.39652%0.523SS..  trans-47.4111.2170.9-74.6-63.7000107.2N35 V39 V70N35-D37 PolarHBondContact O-N 2.93Å; D37-V39 PolarHBondContact O-N 3.5Å; D37-V70 HydrophobicContact CB-CB 4.29Å; D37-V70 HydrophobicContact CB-CG1 3.99Å; D37-V70 HydrophobicContact CB-CG2 4.44Å; D37-V70 WeakPolarHBondContact OD2-CG1 3.38Å
38K72.8Confident64.2Low168 Ų16896.2 Ų96.273%0.7350%0.502SS*.  trans-67.6100.3-157.5-69.7177.6178.1177.80110.6M36 T40M36-K38 WeakPolarHBondContact O-CA 3.46Å; M36-K38 PolarHBondContact O-N 3.2Å; K38-T40 PolarHBondContact O-N 2.98Å
39V80.2Confident67.2Low29 Ų2997.5 Ų97.518%0.17650%0.502CS..  trans-64.7121.2157.9-175.40000107.2D37 I41 L64 S65 L71 L157D37-V39 PolarHBondContact O-N 3.5Å; V39-I41 HydrophobicContact CG1-CD1 4.48Å; V39-I41 HydrophobicContact CG1-CG1 4.07Å; V39-L64 HydrophobicContact CG1-CD1 3.73Å; V39-S65 CarbonylContact C-O 3.57Å; V39-S65 WeakPolarHBondContact CA-O 3.38Å; V39-L71 HydrophobicContact CG2-CD1 3.27Å; V39-L157 HydrophobicContact CB-CD1 3.74Å; V39-L157 HydrophobicContact CG1-CD1 4.02Å; V39-L157 HydrophobicContact CG2-CD1 3.86Å
40T87.4Confident70Confident78 Ų7894 Ų9448%0.47949%0.491SS..EExtended strand (participates in β ladder)trans-111.9122.7175.6-53.30000108.4K38 L64 S65K38-T40 PolarHBondContact O-N 2.98Å; T40-L64 WeakPolarHBondContact O-CA 3.09Å; T40-S65 PolarHBondContact N-O 2.93Å; T40-S65 PolarHBondContact O-N 3.17Å
41I90.5Very high73Confident30 Ų3090.1 Ų90.115%0.15448%0.479CS..EExtended strand (participates in β ladder)trans-119.7120175.8-47.3169.3000107.3V39 V62 H63 L64 V149 V151 L157 T159V39-I41 HydrophobicContact CG1-CD1 4.48Å; V39-I41 HydrophobicContact CG1-CG1 4.07Å; I41-V62 HydrophobicContact CG2-CG1 3.94Å; I41-H63 WeakPolarHBondContact CA-O 3.42Å; I41-L64 HydrophobicContact CG1-CD1 3.86Å; I41-V149 HydrophobicContact CG2-CB 4.09Å; I41-V149 HydrophobicContact CG2-CG1 3.99Å; I41-V151 HydrophobicContact CD1-CB 4.13Å; I41-V151 HydrophobicContact CD1-CG2 3.53Å; I41-V151 HydrophobicContact CG1-CG2 4.15Å; I41-L157 HydrophobicContact CD1-CB 4.44Å; I41-T159 HydrophobicContact CB-CG2 3.73Å; I41-T159 HydrophobicContact CD1-CG2 4.44Å; I41-T159 HydrophobicContact CG2-CG2 3.42Å; I41-T159 VanDerWaalsContact CG2-CG2 3.42Å
42A92.9Very high76.2Confident34 Ų3479.7 Ų79.728%0.28144%0.441SS..EExtended strand (participates in β ladder)trans-123.6130.9175.200000110.2V62 H63A42-V62 CarbonylContact O-C 3.38Å; A42-V62 WeakPolarHBondContact O-CA 3.3Å; A42-H63 HydrophobicContact CB-CB 4.36Å; A42-H63 PolarHBondContact N-O 3.05Å; A42-H63 PolarHBondContact O-N 3.1Å
43I95.3Very high79.4Confident14 Ų1476.5 Ų76.57%0.07243%0.425CS..EExtended strand (participates in β ladder)trans-104.1118.3177.7-55.4169.9000107.6L45 V62 F124 V147 V149 T159 R161I43-L45 HydrophobicContact CG2-CD2 4.23Å; I43-V62 HydrophobicContact CG1-CG2 4.48Å; I43-F124 HydrophobicContact CG2-CE1 4.17Å; I43-F124 HydrophobicContact CG2-CZ 4.06Å; I43-V147 HydrophobicContact CD1-CG1 4.33Å; I43-V147 WeakPolarHBondContact CD1-O 3.36Å; I43-V147 HydrophobicContact CG2-CB 4.42Å; I43-V147 HydrophobicContact CG2-CG1 4.1Å; I43-V149 HydrophobicContact CD1-CG2 3.79Å; I43-V149 HydrophobicContact CG1-CG2 3.83Å; I43-T159 HydrophobicContact CD1-CG2 3.89Å; I43-T159 HydrophobicContact CG1-CG2 4.16Å; I43-R161 HydrophobicContact CB-CB 4.05Å; I43-R161 HydrophobicContact CD1-CB 3.92Å; I43-R161 HydrophobicContact CG2-CB 4.18Å; I43-R161 VanDerWaalsContact O-CD 3.27Å; I43-R161 WeakPolarHBondContact O-CD 3.43Å
44H95.8Very high82.5Confident107 Ų10770.4 Ų70.450%0.49539%0.387SS..EExtended strand (participates in β ladder)trans-109.2126.3172.8-73.3-91000109.1G60 V61 H63H44-G60 CarbonylContact O-C 3.55Å; H44-G60 WeakPolarHBondContact O-CA 3.28Å; H44-V61 PolarHBondContact N-O 2.9Å; H44-V61 PolarHBondContact O-N 2.89Å; H44-H63 AromaticContact CD2-CD2 3.41Å; H44-H63 PolarHBondContact CD2-CD2 2.89Å; H44-H63 VanDerWaalsContact CD2-CD2 3.41Å; H44-H63 AromaticContact CD2-NE2 3.88Å
45L96.7Very high85.5Confident13 Ų1365.3 Ų65.37%0.06837%0.374CS..EExtended strand (participates in β ladder)trans-96.1141.9174.4-55.7177.1000108.8I43 Q47 G48 L58 F124 V147 V163I43-L45 HydrophobicContact CG2-CD2 4.23Å; L45-Q47 PolarHBondContact O-N 3.29Å; L45-G48 PolarHBondContact O-N 2.96Å; L45-L58 HydrophobicContact CD2-CD1 4.2Å; L45-F124 HydrophobicContact CD2-CE2 4.19Å; L45-F124 HydrophobicContact CD2-CZ 3.78Å; L45-V147 HydrophobicContact CD2-CG2 4.33Å; L45-V163 HydrophobicContact CD1-CG2 3.93Å
46D96.2Very high88.2Confident116 Ų11660.7 Ų60.762%0.6235%0.352SS*.THydrogen-bonded Turntrans-63.6-33.5-176.9-72.7-5.6000111.8S59D46-S59 PolarHBondContact N-O 2.83Å; D46-S59 WeakPolarHBondContact OD2-CB 3.24Å; D46-S59 PolarHBondContact OD2-OG 2.81Å; D46-S59 VanDerWaalsContact OD2-OG 3.12Å
47Q92.9Very high90.5Very high51 Ų5159.9 Ų59.924%0.23835%0.347CS..THydrogen-bonded Turntrans-85.82.5174.276.3-76.8-0.900114.8L45 D49 C50 V52L45-Q47 PolarHBondContact O-N 3.29Å; Q47-D49 PolarHBondContact O-N 2.9Å; Q47-C50 WeakPolarHBondContact CG-O 2.96Å; Q47-C50 WeakPolarHBondContact O-CB 3.05Å; Q47-C50 PolarHBondContact O-N 3.22Å; Q47-V52 VanDerWaalsContact CD-CG2 3.41Å; Q47-V52 HydrophobicContact CG-CG2 3.63Å
48G93.4Very high92.5Very high30 Ų3056.4 Ų56.431%0.30933%0.328SS..THydrogen-bonded Turntrans67-121.5-178.200000113.9L45 R161L45-G48 PolarHBondContact O-N 2.96Å; G48-R161 PolarHBondContact O-NH2 2.81Å
49D90.6Very high93.6Very high129 Ų12949.8 Ų49.869%0.6930%0.304SS*.THydrogen-bonded Turntrans-1000.8177.3-62.9-43.1000112.5Q47 R161Q47-D49 PolarHBondContact O-N 2.9Å; D49-R161 IonicContact OD1-CZ 2.93Å; D49-R161 IonicContact OD1-NH1 3.44Å; D49-R161 IonicContact OD1-NH2 3.64Å; D49-R161 PolarHBondContact OD1-NH2 2.84Å
50C93.2Very high94.3Very high81 Ų8148.6 Ų48.655%0.54730%0.297SS..SBendtrans-68.4143179.3-67.90000111.2Q47Q47-C50 WeakPolarHBondContact CG-O 2.96Å; Q47-C50 WeakPolarHBondContact O-CB 3.05Å; Q47-C50 PolarHBondContact O-N 3.22Å
51P94.1Very high94.6Very high77 Ų7746.7 Ų46.750%0.529%0.285SS..  trans-62.8146.7175.4-18.830.4000113.3P164 I166P51-P164 CarbonylContact C-O 3.56Å; P51-P164 VanDerWaalsContact CA-O 3.23Å; P51-P164 WeakPolarHBondContact CA-O 3.24Å; P51-P164 HydrophobicContact CB-CB 4.11Å; P51-P164 HydrophobicContact CB-CG 4.4Å; P51-P164 HydrophobicContact CG-CB 4.23Å; P51-P164 HydrophobicContact CG-CG 4.41Å; P51-I166 HydrophobicContact CB-CD1 4.24Å; P51-I166 HydrophobicContact CB-CG1 3.5Å; P51-I166 VanDerWaalsContact CB-CG1 3.5Å; P51-I166 HydrophobicContact CG-CG1 4.3Å
52V95.6Very high94.8Very high11 Ų1145.3 Ų45.37%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-105.7137.7176.7-177.30000109.7Q47 S56 L58 L128 V163 P164 V165 I166Q47-V52 VanDerWaalsContact CD-CG2 3.41Å; Q47-V52 HydrophobicContact CG-CG2 3.63Å; V52-S56 WeakPolarHBondContact CG1-OG 3.33Å; V52-L58 HydrophobicContact CG2-CD1 4.06Å; V52-L128 HydrophobicContact CB-CD1 4.24Å; V52-L128 HydrophobicContact CG1-CD1 3.6Å; V52-V163 HydrophobicContact CG2-CG1 4.32Å; V52-P164 PolarHBondContact N-O 3.05Å; V52-V165 CarbonylContact O-C 3.59Å; V52-V165 VanDerWaalsContact O-CA 3.23Å; V52-V165 WeakPolarHBondContact O-CA 3.37Å; V52-I166 PolarHBondContact O-N 3.41Å
53A95.8Very high94.7Very high31 Ų3147.4 Ų47.426%0.25628%0.282SS..EExtended strand (participates in β ladder)trans-72.4138.7177.500000111.6S56 I166 L168A53-S56 WeakPolarHBondContact O-CB 3.36Å; A53-S56 PolarHBondContact O-N 2.89Å; A53-S56 VanDerWaalsContact O-N 3.17Å; A53-S56 PolarHBondContact O-OG 2.8Å; A53-I166 CarbonylContact C-O 3.54Å; A53-I166 WeakPolarHBondContact CA-O 3.47Å; A53-L168 HydrophobicContact CB-CD1 4.11Å; A53-L168 HydrophobicContact CB-CD2 3.77Å; A53-L168 HydrophobicContact CB-CG 3.93Å
54A95.5Very high94.4Very high0 Ų047 Ų470%028%0.28CS..THydrogen-bonded Turntrans-54.6142164.500000109.8S56 L132 V165 I166 L168A54-S56 VanDerWaalsContact C-N 3.26Å; A54-S56 PolarHBondContact O-N 2.86Å; A54-L132 HydrophobicContact CB-CB 3.95Å; A54-V165 HydrophobicContact CB-CG1 4.4Å; A54-I166 PolarHBondContact N-O 3.12Å; A54-L168 VanDerWaalsContact O-CD1 3.24Å; A54-L168 WeakPolarHBondContact O-CD1 3.31Å
55G94.9Very high93.9Very high45 Ų4543.7 Ų43.746%0.46427%0.269SS..THydrogen-bonded Turntrans82.7-7.7-175.600000115.3L128 P129G55-L128 CarbonylContact C-O 3.57Å; G55-L128 WeakPolarHBondContact CA-O 3.42Å; G55-L128 PolarHBondContact N-O 2.89Å; G55-P129 PolarHBondContact N-O 3.19Å
56S96.1Very high93.3Very high41 Ų4143.9 Ų43.929%0.28727%0.269SS..SBendtrans-94.8179.5178.574.80000112.9V52 A53 A54 L128V52-S56 WeakPolarHBondContact CG1-OG 3.33Å; A53-S56 WeakPolarHBondContact O-CB 3.36Å; A53-S56 PolarHBondContact O-N 2.89Å; A53-S56 VanDerWaalsContact O-N 3.17Å; A53-S56 PolarHBondContact O-OG 2.8Å; A54-S56 VanDerWaalsContact C-N 3.26Å; A54-S56 PolarHBondContact O-N 2.86Å; S56-L128 WeakPolarHBondContact O-CB 3.38Å; S56-L128 PolarHBondContact O-N 2.64Å
57E95.9Very high92.6Very high99 Ų9941.1 Ų41.146%0.46325%0.254SS..EExtended strand (participates in β ladder)trans-95.3133.8176.5-58.3-165.914200110.9L125 F126 R127E57-L125 HydrophobicContact CB-CD1 3.9Å; E57-F126 CarbonylContact C-O 3.57Å; E57-F126 WeakPolarHBondContact CA-O 3.47Å; E57-R127 HydrophobicContact CG-CG 4.28Å; E57-R127 IonicContact OE1-CZ 3.54Å; E57-R127 IonicContact OE1-NE 3.48Å; E57-R127 PolarHBondContact OE1-NE 2.83Å; E57-R127 IonicContact OE1-NH2 3.44Å; E57-R127 PolarHBondContact OE1-NH2 2.84Å
58L96.7Very high91.7Very high0 Ų043 Ų430%026%0.263CS..EExtended strand (participates in β ladder)trans-105.8117.1173.1171.568.6000108.7L45 V52 L80 L125 F126 L128 V147 V163L45-L58 HydrophobicContact CD2-CD1 4.2Å; V52-L58 HydrophobicContact CG2-CD1 4.06Å; L58-L80 HydrophobicContact CD2-CD1 3.87Å; L58-L80 HydrophobicContact CD2-CD2 4.1Å; L58-L125 CarbonylContact O-C 3.41Å; L58-L125 WeakPolarHBondContact O-CA 3.23Å; L58-F126 HydrophobicContact CB-CB 4.37Å; L58-F126 HydrophobicContact CD2-CD2 4.38Å; L58-F126 PolarHBondContact N-O 2.8Å; L58-F126 PolarHBondContact O-N 2.92Å; L58-L128 HydrophobicContact CB-CD1 4.49Å; L58-L128 HydrophobicContact CB-CD2 4.27Å; L58-L128 HydrophobicContact CB-CG 4.31Å; L58-V147 HydrophobicContact CD2-CG2 3.77Å; L58-V163 HydrophobicContact CD1-CG1 3.85Å; L58-V163 HydrophobicContact CD2-CG1 4.07Å; L58-V163 HydrophobicContact CD2-CG2 4.04Å
59S95.6Very high90.9Very high30 Ų3047 Ų4721%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-126.4159.5-178.239.30000112.2D46 F124D46-S59 PolarHBondContact N-O 2.83Å; D46-S59 WeakPolarHBondContact OD2-CB 3.24Å; D46-S59 PolarHBondContact OD2-OG 2.81Å; D46-S59 VanDerWaalsContact OD2-OG 3.12Å; S59-F124 WeakPolarHBondContact CA-O 3.3Å
60G95.5Very high90.2Very high3 Ų344 Ų443%0.03127%0.272CS..EExtended strand (participates in β ladder)trans176.8-172.3178.100000113H44 P123 F124H44-G60 CarbonylContact O-C 3.55Å; H44-G60 WeakPolarHBondContact O-CA 3.28Å; G60-P123 CarbonylContact O-C 3.56Å; G60-P123 WeakPolarHBondContact O-CA 3.17Å; G60-F124 PolarHBondContact N-O 2.85Å; G60-F124 WeakPolarHBondContact O-CD1 3.44Å; G60-F124 PolarHBondContact O-N 3.01Å
61V94.5Very high89.5Confident39 Ų3940.8 Ų40.824%0.23625%0.25CC..EExtended strand (participates in β ladder)trans-133.4131-179.1-176.40000110.1H44 P123H44-V61 PolarHBondContact N-O 2.9Å; H44-V61 PolarHBondContact O-N 2.89Å; V61-P123 HydrophobicContact CG2-CB 4.5Å
62V93.1Very high88.9Confident1 Ų146.8 Ų46.81%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-91.5123.7168.31780000108.7I41 A42 I43 I78 S121 I122 F124 V149I41-V62 HydrophobicContact CG2-CG1 3.94Å; A42-V62 CarbonylContact O-C 3.38Å; A42-V62 WeakPolarHBondContact O-CA 3.3Å; I43-V62 HydrophobicContact CG1-CG2 4.48Å; V62-I78 HydrophobicContact CB-CD1 4.21Å; V62-I78 HydrophobicContact CG2-CD1 3.66Å; V62-I78 HydrophobicContact CG2-CG1 4.08Å; V62-I78 HydrophobicContact CG2-CG2 4.34Å; V62-S121 CarbonylContact O-C 3.58Å; V62-S121 VanDerWaalsContact O-CA 3.28Å; V62-S121 WeakPolarHBondContact O-CA 3.24Å; V62-I122 HydrophobicContact CB-CB 4.45Å; V62-I122 PolarHBondContact N-O 3.14Å; V62-I122 PolarHBondContact O-N 3.2Å; V62-F124 HydrophobicContact CG2-CD1 3.86Å; V62-F124 HydrophobicContact CG2-CE1 3.84Å; V62-V149 HydrophobicContact CB-CG2 4.36Å; V62-V149 HydrophobicContact CG1-CG1 4.04Å; V62-V149 HydrophobicContact CG1-CG2 3.93Å; V62-V149 HydrophobicContact CG2-CG2 3.46Å; V62-V149 VanDerWaalsContact CG2-CG2 3.46Å
63H91.7Very high88.2Confident78 Ų7847.1 Ų47.136%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-100115.8171.5-63-98.4000109.1I41 A42 H44 S121I41-H63 WeakPolarHBondContact CA-O 3.42Å; A42-H63 HydrophobicContact CB-CB 4.36Å; A42-H63 PolarHBondContact N-O 3.05Å; A42-H63 PolarHBondContact O-N 3.1Å; H44-H63 AromaticContact CD2-CD2 3.41Å; H44-H63 PolarHBondContact CD2-CD2 2.89Å; H44-H63 VanDerWaalsContact CD2-CD2 3.41Å; H44-H63 AromaticContact CD2-NE2 3.88Å; H63-S121 PolarHBondContact CE1-OG 3.4Å; H63-S121 PolarHBondContact ND1-OG 2.66Å
64L89.1Confident87.6Confident4 Ų449.4 Ų49.42%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-109.6129.4176.1178.164.1000109.1V39 T40 I41 Y66 I76 V116 K119 T120 V151V39-L64 HydrophobicContact CG1-CD1 3.73Å; T40-L64 WeakPolarHBondContact O-CA 3.09Å; I41-L64 HydrophobicContact CG1-CD1 3.86Å; L64-Y66 HydrophobicContact CD1-CD1 4.33Å; L64-Y66 HydrophobicContact CD2-CD1 4.04Å; L64-Y66 HydrophobicContact CD2-CE1 3.96Å; L64-Y66 HydrophobicContact CG-CD1 3.89Å; L64-Y66 HydrophobicContact CG-CE1 4.25Å; L64-I76 HydrophobicContact CD2-CD1 3.43Å; L64-I76 VanDerWaalsContact CD2-CD1 3.43Å; L64-I76 HydrophobicContact CD2-CG1 4.25Å; L64-V116 HydrophobicContact CD2-CG1 4.29Å; L64-K119 WeakPolarHBondContact O-CA 3.23Å; L64-T120 PolarHBondContact N-O 2.8Å; L64-T120 PolarHBondContact O-N 3.31Å; L64-V151 HydrophobicContact CD1-CG2 4.13Å; L64-V151 HydrophobicContact CD2-CG2 4.47Å
65S85.8Confident87.1Confident39 Ų3950.9 Ų50.927%0.27328%0.283SS..EExtended strand (participates in β ladder)trans-133.9130.9170-170.40000110.9V39 T40 E118V39-S65 CarbonylContact C-O 3.57Å; V39-S65 WeakPolarHBondContact CA-O 3.38Å; T40-S65 PolarHBondContact N-O 2.93Å; T40-S65 PolarHBondContact O-N 3.17Å; S65-E118 VanDerWaalsContact CA-O 3.3Å; S65-E118 WeakPolarHBondContact CA-O 3.27Å; S65-E118 PolarHBondContact OG-O 2.78Å; S65-E118 VanDerWaalsContact OG-O 3.09Å
66Y82.8Confident86.8Confident16 Ų1649 Ų496%0.06326%0.262CS..  trans-156.9164.6178.768.3-83.4000110.3L64 E68 L71 V73 V116 E118L64-Y66 HydrophobicContact CD1-CD1 4.33Å; L64-Y66 HydrophobicContact CD2-CD1 4.04Å; L64-Y66 HydrophobicContact CD2-CE1 3.96Å; L64-Y66 HydrophobicContact CG-CD1 3.89Å; L64-Y66 HydrophobicContact CG-CE1 4.25Å; Y66-E68 HydrophobicContact CD2-CG 4.27Å; Y66-E68 HydrophobicContact CE2-CB 4.18Å; Y66-E68 HydrophobicContact CE2-CG 3.45Å; Y66-E68 VanDerWaalsContact CE2-CG 3.45Å; Y66-L71 HydrophobicContact CD2-CB 4.28Å; Y66-L71 WeakPolarHBondContact CE2-O 3.38Å; Y66-V73 HydrophobicContact CD1-CG2 4Å; Y66-V73 HydrophobicContact CD2-CG2 4.07Å; Y66-V73 HydrophobicContact CE1-CB 4.44Å; Y66-V73 HydrophobicContact CE1-CG2 3.61Å; Y66-V73 HydrophobicContact CE2-CB 4.5Å; Y66-V73 HydrophobicContact CE2-CG2 3.7Å; Y66-V73 HydrophobicContact CG-CG2 4.21Å; Y66-V73 VanDerWaalsContact CZ-CG2 3.44Å; Y66-V116 HydrophobicContact CE1-CB 3.79Å; Y66-V116 HydrophobicContact CE1-CG1 3.87Å; Y66-V116 HydrophobicContact CE1-CG2 4.2Å; Y66-V116 VanDerWaalsContact OH-CB 3.24Å; Y66-V116 WeakPolarHBondContact OH-CB 3.48Å; Y66-V116 PolarHBondContact OH-O 3.2Å; Y66-E118 PolarHBondContact N-O 2.77Å
67N81.2Confident86.5Confident59 Ų5948.2 Ų48.232%0.31626%0.257SS..  trans-90105.3174.1-174-12.1000110.2S69 V70 L71N67-S69 PolarHBondContact O-N 3.09Å; N67-S69 VanDerWaalsContact OD1-CB 3.24Å; N67-S69 WeakPolarHBondContact OD1-CB 3.4Å; N67-S69 PolarHBondContact OD1-N 3.28Å; N67-S69 PolarHBondContact OD1-OG 2.99Å; N67-V70 HydrophobicContact CB-CB 4.34Å; N67-V70 HydrophobicContact CB-CG2 4.18Å; N67-V70 WeakPolarHBondContact ND2-CG2 3.41Å; N67-V70 PolarHBondContact O-N 2.84Å; N67-L71 PolarHBondContact O-N 3.41Å
68E74.8Confident86.4Confident91 Ų9144 Ų4443%0.42524%0.238SC..THydrogen-bonded Turntrans-60-25.5177.1-74172.1-120.500113.8Y66 V70 R117 E118Y66-E68 HydrophobicContact CD2-CG 4.27Å; Y66-E68 HydrophobicContact CE2-CB 4.18Å; Y66-E68 HydrophobicContact CE2-CG 3.45Å; Y66-E68 VanDerWaalsContact CE2-CG 3.45Å; E68-V70 PolarHBondContact O-N 2.85Å; E68-R117 WeakPolarHBondContact OE1-CA 3.4Å; E68-E118 PolarHBondContact OE1-N 2.85Å
69S76.6Confident86.4Confident113 Ų11344 Ų4479%0.7924%0.238SC*.THydrogen-bonded Turntrans-72.5-16.3178-54.50000112.5N67N67-S69 PolarHBondContact O-N 3.09Å; N67-S69 VanDerWaalsContact OD1-CB 3.24Å; N67-S69 WeakPolarHBondContact OD1-CB 3.4Å; N67-S69 PolarHBondContact OD1-N 3.28Å; N67-S69 PolarHBondContact OD1-OG 2.99Å
70V75.6Confident86.5Confident66 Ų6642.7 Ų42.740%0.423%0.228SC..THydrogen-bonded Turntrans-111.9-41.2-178.5-177.50000110.9D37 N67 E68D37-V70 HydrophobicContact CB-CB 4.29Å; D37-V70 HydrophobicContact CB-CG1 3.99Å; D37-V70 HydrophobicContact CB-CG2 4.44Å; D37-V70 WeakPolarHBondContact OD2-CG1 3.38Å; N67-V70 HydrophobicContact CB-CB 4.34Å; N67-V70 HydrophobicContact CB-CG2 4.18Å; N67-V70 WeakPolarHBondContact ND2-CG2 3.41Å; N67-V70 PolarHBondContact O-N 2.84Å; E68-V70 PolarHBondContact O-N 2.85Å
71L79.4Confident86.6Confident14 Ų1448.2 Ų48.27%0.07325%0.248CC..  trans-121.5131.6-171.2-66.1173.5000111V39 Y66 N67V39-L71 HydrophobicContact CG2-CD1 3.27Å; Y66-L71 HydrophobicContact CD2-CB 4.28Å; Y66-L71 WeakPolarHBondContact CE2-O 3.38Å; N67-L71 PolarHBondContact O-N 3.41Å
72R80.5Confident86.8Confident203 Ų20346.6 Ų46.677%0.76624%0.239SC*.  trans-99111.7170.1-176.4178.7179.6177.6-0.1109.7V153R72-V153 WeakPolarHBondContact O-CA 3.24Å
73V81.5Confident87Confident17 Ų1749 Ų4910%0.10325%0.25CS..  trans-76.6125.7167.9177.70000108.7Y66 I76 V116 V151 D152 V153Y66-V73 HydrophobicContact CD1-CG2 4Å; Y66-V73 HydrophobicContact CD2-CG2 4.07Å; Y66-V73 HydrophobicContact CE1-CB 4.44Å; Y66-V73 HydrophobicContact CE1-CG2 3.61Å; Y66-V73 HydrophobicContact CE2-CB 4.5Å; Y66-V73 HydrophobicContact CE2-CG2 3.7Å; Y66-V73 HydrophobicContact CG-CG2 4.21Å; Y66-V73 VanDerWaalsContact CZ-CG2 3.44Å; V73-I76 HydrophobicContact CG1-CD1 4.11Å; V73-I76 HydrophobicContact CG1-CG1 3.72Å; V73-V116 HydrophobicContact CG1-CG2 4.43Å; V73-V151 HydrophobicContact CG1-CG1 3.82Å; V73-V151 HydrophobicContact CG2-CG1 3.94Å; V73-D152 CarbonylContact C-O 3.53Å; V73-D152 WeakPolarHBondContact CA-O 3.48Å; V73-V153 HydrophobicContact CB-CG1 4.39Å; V73-V153 HydrophobicContact CG2-CG1 3.74Å
74T82.6Confident87.3Confident79 Ų7945.3 Ų45.349%0.48523%0.233SC..  trans-101.7-33.8179.753.60000112.7D152T74-D152 PolarHBondContact N-O 2.89Å; T74-D152 WeakPolarHBondContact OG1-CB 3.3Å; T74-D152 PolarHBondContact OG1-O 2.9Å; T74-D152 VanDerWaalsContact OG1-O 3.07Å
75D85.7Confident87.8Confident32 Ų3249 Ų4917%0.17125%0.247CC..EExtended strand (participates in β ladder)trans-151.6153.4177.6-16119.3000111.3N111 D152D75-N111 WeakPolarHBondContact OD1-CB 3.24Å; D75-N111 PolarHBondContact OD1-ND2 2.65Å; D75-N111 PolarHBondContact OD2-ND2 3.49Å; D75-D152 HydrophobicContact CB-CB 4.12Å; D75-D152 PolarHBondContact O-N 3.18Å
76I87.6Confident88.4Confident4 Ų447.2 Ų47.22%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-133.8118.3172-55.7170000107.3L64 V73 V116 I122 V149 T150 V151L64-I76 HydrophobicContact CD2-CD1 3.43Å; L64-I76 VanDerWaalsContact CD2-CD1 3.43Å; L64-I76 HydrophobicContact CD2-CG1 4.25Å; V73-I76 HydrophobicContact CG1-CD1 4.11Å; V73-I76 HydrophobicContact CG1-CG1 3.72Å; I76-V116 HydrophobicContact CD1-CG2 3.88Å; I76-I122 HydrophobicContact CB-CD1 4.48Å; I76-I122 HydrophobicContact CD1-CD1 3.65Å; I76-I122 HydrophobicContact CG2-CD1 4Å; I76-V149 HydrophobicContact CG2-CG1 4.14Å; I76-T150 WeakPolarHBondContact CA-O 3.38Å; I76-V151 HydrophobicContact CG1-CG2 4.44Å; I76-V151 HydrophobicContact CG2-CG2 4.4Å
77S91Very high89.1Confident26 Ų2648.2 Ų48.218%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-113129.8175-1710000109.8V149 T150S77-V149 CarbonylContact O-C 3.37Å; S77-V149 VanDerWaalsContact O-CA 3.3Å; S77-V149 WeakPolarHBondContact O-CA 3.39Å; S77-T150 PolarHBondContact N-O 2.99Å; S77-T150 PolarHBondContact O-N 2.8Å
78I94.2Very high89.9Confident11 Ų1146.2 Ų46.26%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-113.4121.7173-52.7172.1000106.4V62 A108 I122 F124 F126 V147 Y148 V149V62-I78 HydrophobicContact CB-CD1 4.21Å; V62-I78 HydrophobicContact CG2-CD1 3.66Å; V62-I78 HydrophobicContact CG2-CG1 4.08Å; V62-I78 HydrophobicContact CG2-CG2 4.34Å; I78-A108 HydrophobicContact CB-CB 4.22Å; I78-A108 PolarHBondContact O-N 2.89Å; I78-I122 HydrophobicContact CD1-CB 4.12Å; I78-I122 HydrophobicContact CD1-CG2 3.63Å; I78-F124 HydrophobicContact CD1-CB 4.32Å; I78-F124 HydrophobicContact CD1-CD1 4.39Å; I78-F124 HydrophobicContact CG2-CB 4.07Å; I78-F124 HydrophobicContact CG2-CD1 4.07Å; I78-F124 HydrophobicContact CG2-CG 4.01Å; I78-F126 HydrophobicContact CG2-CE2 4.26Å; I78-F126 HydrophobicContact CG2-CZ 4.17Å; I78-V147 HydrophobicContact CG2-CG1 4.06Å; I78-Y148 WeakPolarHBondContact CA-O 3.45Å; I78-V149 HydrophobicContact CG1-CG1 4.46Å; I78-V149 HydrophobicContact CG1-CG2 4.27Å; I78-V149 HydrophobicContact CG2-CG2 4.31Å
79G95.5Very high90.9Very high0 Ų046 Ų460%024%0.236CC..EExtended strand (participates in β ladder)trans-129.8162.9178.600000112.8Q106 V147 Y148G79-Q106 CarbonylContact C-O 3.59Å; G79-Q106 WeakPolarHBondContact CA-O 3.35Å; G79-V147 CarbonylContact O-C 3.57Å; G79-V147 VanDerWaalsContact O-CA 3.26Å; G79-V147 WeakPolarHBondContact O-CA 3.41Å; G79-Y148 VanDerWaalsContact C-CE1 3.46Å; G79-Y148 PolarHBondContact N-O 3.29Å; G79-Y148 WeakPolarHBondContact O-CD1 3.36Å; G79-Y148 PolarHBondContact O-N 2.94Å
80L97.5Very high91.7Very high1 Ų141.1 Ų41.11%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-124.4123.5172.6169.967.1000107.1L58 I104 D105 Q106 F126 L128 E146 V147L58-L80 HydrophobicContact CD2-CD1 3.87Å; L58-L80 HydrophobicContact CD2-CD2 4.1Å; L80-I104 HydrophobicContact CD2-CD1 3.59Å; L80-I104 HydrophobicContact CG-CD1 4.18Å; L80-D105 WeakPolarHBondContact O-CA 3.48Å; L80-Q106 PolarHBondContact N-O 3.3Å; L80-Q106 PolarHBondContact O-N 2.92Å; L80-F126 HydrophobicContact CB-CD1 3.81Å; L80-F126 HydrophobicContact CB-CD2 3.79Å; L80-F126 HydrophobicContact CB-CE1 3.85Å; L80-F126 HydrophobicContact CB-CE2 3.84Å; L80-F126 HydrophobicContact CB-CG 3.78Å; L80-F126 HydrophobicContact CB-CZ 3.87Å; L80-F126 HydrophobicContact CD2-CB 3.65Å; L80-F126 HydrophobicContact CD2-CD1 4.34Å; L80-F126 HydrophobicContact CD2-CD2 4.24Å; L80-F126 HydrophobicContact CD2-CG 3.83Å; L80-F126 HydrophobicContact CG-CG 4.46Å; L80-L128 HydrophobicContact CD2-CD2 3.42Å; L80-L128 VanDerWaalsContact CD2-CD2 3.42Å; L80-E146 WeakPolarHBondContact CA-O 3.23Å; L80-V147 HydrophobicContact CD1-CG2 4.15Å
81R97.7Very high92.4Very high120 Ų12047.7 Ų47.745%0.45323%0.225SC..EExtended strand (participates in β ladder)trans-125.5151.2172.664.8-178.2178.2172.82111.4I104 Y145 E146 Y148R81-I104 CarbonylContact C-O 3.43Å; R81-I104 VanDerWaalsContact CA-O 3.24Å; R81-I104 WeakPolarHBondContact CA-O 3.45Å; R81-Y145 CarbonylContact O-C 3.59Å; R81-Y145 VanDerWaalsContact O-CA 3.28Å; R81-Y145 WeakPolarHBondContact O-CA 3.2Å; R81-E146 HydrophobicContact CG-CG 3.63Å; R81-E146 IonicContact CZ-OE1 2.6Å; R81-E146 PolarHBondContact N-O 2.79Å; R81-E146 VanDerWaalsContact NE-CD 3.3Å; R81-E146 IonicContact NE-OE1 3.09Å; R81-E146 PolarHBondContact NE-OE1 2.61Å; R81-E146 IonicContact NH2-OE1 3.44Å; R81-E146 PolarHBondContact NH2-OE1 2.98Å; R81-E146 IonicContact NH2-OE2 2.7Å; R81-E146 PolarHBondContact O-N 2.85Å; R81-Y148 HydrophobicContact CB-CD1 4.41Å; R81-Y148 HydrophobicContact CB-CE1 4.07Å; R81-Y148 HydrophobicContact CG-CD1 3.9Å; R81-Y148 HydrophobicContact CG-CE1 4.02Å
82G98.2Very high93Very high4 Ų453.8 Ų53.84%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-136.3142.2172.500000110.7L103 I104 R144 Y145G82-L103 PolarHBondContact O-N 2.83Å; G82-I104 VanDerWaalsContact N-CG2 3.3Å; G82-I104 PolarHBondContact N-O 3.4Å; G82-R144 CarbonylContact C-O 3.53Å; G82-R144 WeakPolarHBondContact CA-O 3.45Å; G82-Y145 VanDerWaalsContact CA-CD1 3.49Å
83E98.1Very high93.5Very high53 Ų5346.6 Ų46.625%0.24824%0.243CC..EExtended strand (participates in β ladder)trans-141.2131.6-175.8-178.1-174.7170.100109.4R85 S100 E101 F142 I143 R144E83-R85 HydrophobicContact CG-CB 4.37Å; E83-R85 WeakPolarHBondContact OE1-CD 3.43Å; E83-S100 WeakPolarHBondContact CG-OG 3.13Å; E83-S100 VanDerWaalsContact OE1-CB 3.25Å; E83-S100 WeakPolarHBondContact OE1-CB 3.25Å; E83-S100 PolarHBondContact OE1-OG 3.04Å; E83-E101 WeakPolarHBondContact CA-O 3.42Å; E83-F142 HydrophobicContact CB-CE2 4.49Å; E83-F142 HydrophobicContact CG-CE2 4.46Å; E83-I143 WeakPolarHBondContact O-CA 3.2Å; E83-R144 PolarHBondContact N-O 2.82Å; E83-R144 PolarHBondContact O-N 3.05Å
84A98.4Very high94Very high0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-93.7129.5158.400000108.3S100 E101 L103 F142 I143 L298A84-S100 CarbonylContact O-C 3.59Å; A84-S100 WeakPolarHBondContact O-CA 3.45Å; A84-E101 HydrophobicContact CB-CB 4.5Å; A84-E101 PolarHBondContact N-O 2.96Å; A84-E101 PolarHBondContact O-N 2.89Å; A84-L103 HydrophobicContact CB-CD1 4.06Å; A84-L103 HydrophobicContact CB-CD2 4.27Å; A84-L103 HydrophobicContact CB-CG 4.28Å; A84-F142 CarbonylContact C-O 3.44Å; A84-F142 WeakPolarHBondContact CA-O 3.39Å; A84-I143 HydrophobicContact CB-CG1 4.15Å; A84-L298 HydrophobicContact CB-CB 3.99Å; A84-L298 HydrophobicContact CB-CD2 4.35Å; A84-L298 WeakPolarHBondContact O-CD2 3.09Å
85R98.5Very high94.6Very high82 Ų8250.7 Ų50.731%0.30926%0.259SS..EExtended strand (participates in β ladder)trans-135.7137.8179.3-167.7177.1-174.1155.9-2111.5E83 D98 T99 G141 F142 L298E83-R85 HydrophobicContact CG-CB 4.37Å; E83-R85 WeakPolarHBondContact OE1-CD 3.43Å; R85-D98 IonicContact CZ-OD1 3.61Å; R85-D98 IonicContact CZ-OD2 2.65Å; R85-D98 IonicContact NE-OD1 2.64Å; R85-D98 PolarHBondContact NE-OD1 2.78Å; R85-D98 IonicContact NE-OD2 3.04Å; R85-D98 IonicContact NH2-OD1 3.73Å; R85-D98 PolarHBondContact NH2-OD1 2.82Å; R85-D98 IonicContact NH2-OD2 3.92Å; R85-D98 PolarHBondContact NH2-OD2 2.82Å; R85-T99 WeakPolarHBondContact CA-O 3.12Å; R85-T99 WeakPolarHBondContact CG-O 3.42Å; R85-G141 CarbonylContact O-C 3.52Å; R85-G141 WeakPolarHBondContact O-CA 3.41Å; R85-F142 HydrophobicContact CB-CD1 4.41Å; R85-F142 HydrophobicContact CB-CD2 4.28Å; R85-F142 HydrophobicContact CB-CE1 3.98Å; R85-F142 HydrophobicContact CB-CE2 3.84Å; R85-F142 HydrophobicContact CB-CZ 3.69Å; R85-F142 HydrophobicContact CG-CE1 4.47Å; R85-F142 HydrophobicContact CG-CZ 4.37Å; R85-F142 PolarHBondContact N-O 3.31Å; R85-F142 PolarHBondContact O-N 3.42Å; R85-L298 VanDerWaalsContact C-CD2 3.49Å; R85-L298 VanDerWaalsContact CA-CD2 3.5Å
86A98.4Very high95.1Very high0 Ų051.5 Ų51.50%026%0.263CS..EExtended strand (participates in β ladder)trans-129.4119177.900000108W88 D98 T99 F140 F244 H245 A246 L298A86-W88 HydrophobicContact CB-CZ3 3.93Å; A86-D98 CarbonylContact O-C 3.56Å; A86-D98 WeakPolarHBondContact O-CA 3.45Å; A86-T99 PolarHBondContact N-O 3.5Å; A86-T99 PolarHBondContact O-N 3.44Å; A86-F140 CarbonylContact C-O 3.49Å; A86-F140 WeakPolarHBondContact CA-O 3.38Å; A86-F244 HydrophobicContact CB-CB 4.04Å; A86-F244 HydrophobicContact CB-CD1 4.36Å; A86-H245 VanDerWaalsContact CB-O 3.22Å; A86-H245 WeakPolarHBondContact CB-O 3.44Å; A86-A246 HydrophobicContact CB-CB 3.98Å; A86-L298 HydrophobicContact CB-CD2 3.54Å; A86-L298 HydrophobicContact CB-CG 3.87Å; A86-L298 VanDerWaalsContact N-CD2 3.25Å
87S97.9Very high95.6Very high37 Ų3751.6 Ų51.626%0.25926%0.263SS..EExtended strand (participates in β ladder)trans-150.8135.5-179.2-170.30000114F97 D98 F140S87-F97 CarbonylContact C-O 3.53Å; S87-F97 WeakPolarHBondContact CA-O 3.18Å; S87-F97 WeakPolarHBondContact CB-O 3.41Å; S87-F97 PolarHBondContact OG-O 2.77Å; S87-D98 WeakPolarHBondContact CB-OD1 3.09Å; S87-F140 PolarHBondContact N-O 3.32Å
88W97.6Very high95.9Very high18 Ų1851.8 Ų51.87%0.06826%0.262CS..EExtended strand (participates in β ladder)trans-159.8168.5173.456.692.8000111.4A86 F97 F140 F244 A246 D255 R257A86-W88 HydrophobicContact CB-CZ3 3.93Å; W88-F97 AromaticContact CD1-CD2 3.71Å; W88-F97 HydrophobicContact CD2-CB 4.02Å; W88-F97 AromaticContact CE2-CG 3.91Å; W88-F97 HydrophobicContact CG-CB 4.28Å; W88-F97 HydrophobicContact CZ2-CB 4.03Å; W88-F97 HydrophobicContact CZ2-CG 4.23Å; W88-F97 PolarHBondContact N-O 3.39Å; W88-F97 AromaticContact NE1-CD2 3.33Å; W88-F97 VanDerWaalsContact NE1-CD2 3.33Å; W88-F97 AromaticContact NE1-CG 3.61Å; W88-F97 PolarHBondContact O-N 2.95Å; W88-F97 VanDerWaalsContact O-O 3.13Å; W88-F140 HydrophobicContact CB-CD1 4.17Å; W88-F140 HydrophobicContact CE3-CB 4.22Å; W88-F244 HydrophobicContact CH2-CB 4.18Å; W88-F244 WeakPolarHBondContact CH2-O 3.31Å; W88-F244 HydrophobicContact CZ3-CB 3.72Å; W88-A246 HydrophobicContact CH2-CB 3.41Å; W88-A246 VanDerWaalsContact CH2-CB 3.41Å; W88-A246 HydrophobicContact CZ2-CB 3.9Å; W88-A246 HydrophobicContact CZ3-CB 3.79Å; W88-D255 HydrophobicContact CZ2-CB 3.83Å; W88-D255 PolarHBondContact NE1-OD2 3.39Å; W88-R257 HydrophobicContact CD2-CG 3.68Å; W88-R257 VanDerWaalsContact CE2-CG 3.4Å; W88-R257 HydrophobicContact CE3-CB 4.41Å; W88-R257 HydrophobicContact CE3-CG 4.04Å; W88-R257 HydrophobicContact CG-CG 4.22Å; W88-R257 HydrophobicContact CH2-CB 4.18Å; W88-R257 HydrophobicContact CH2-CG 3.95Å; W88-R257 HydrophobicContact CZ2-CB 4.28Å; W88-R257 HydrophobicContact CZ2-CG 3.57Å; W88-R257 HydrophobicContact CZ3-CB 4.23Å; W88-R257 HydrophobicContact CZ3-CG 4.16Å
89V96.6Very high96.1Very high87 Ų8752.7 Ų52.753%0.52727%0.268SS..EExtended strand (participates in β ladder)trans-109.8126.2167.7-175.40000108.5K91 K95 I96V89-K91 PolarHBondContact O-N 2.6Å; V89-K95 WeakPolarHBondContact CA-O 3.24Å; V89-I96 HydrophobicContact CG2-CG1 4.23Å
90S93.5Very high96.2Very high10 Ų1055.6 Ų55.67%0.0729%0.288CS..  trans-71.4120.1173.5170.80000109.8V92 S93 D94 K95S90-V92 PolarHBondContact O-N 2.8Å; S90-V92 PolarHBondContact OG-N 2.81Å; S90-S93 VanDerWaalsContact CB-OG 3.31Å; S90-S93 WeakPolarHBondContact CB-OG 3.44Å; S90-S93 PolarHBondContact OG-N 3.32Å; S90-S93 PolarHBondContact OG-OG 2.94Å; S90-D94 WeakPolarHBondContact O-CA 3.32Å; S90-D94 PolarHBondContact O-N 2.95Å; S90-K95 PolarHBondContact N-O 2.83Å
91K90.9Very high96.2Very high203 Ų20359.3 Ų59.388%0.88331%0.306SS*.THydrogen-bonded Turntrans-69.8-14.8176.4-63.1-174.9178.3-1760114.1V89V89-K91 PolarHBondContact O-N 2.6Å
92V90.9Very high96.2Very high142 Ų14258.5 Ų58.586%0.86132%0.316SS*.THydrogen-bonded Turntrans-91.9-35.2-176.8179.50000110.9S90S90-V92 PolarHBondContact O-N 2.8Å; S90-V92 PolarHBondContact OG-N 2.81Å
93S91.4Very high96.1Very high53 Ų5360.1 Ų60.137%0.37132%0.324SS..THydrogen-bonded Turntrans-119.3-1-173.2670000113.9S90 K95S90-S93 VanDerWaalsContact CB-OG 3.31Å; S90-S93 WeakPolarHBondContact CB-OG 3.44Å; S90-S93 PolarHBondContact OG-N 3.32Å; S90-S93 PolarHBondContact OG-OG 2.94Å; S93-K95 PolarHBondContact O-N 3.5Å; S93-K95 WeakPolarHBondContact OG-CB 3.32Å; S93-K95 WeakPolarHBondContact OG-CG 3.32Å
94D92.2Very high96.1Very high129 Ų12958.2 Ų58.269%0.6932%0.315SS*.  trans53.714.3-172.7-60.8-41.1000115S90S90-D94 WeakPolarHBondContact O-CA 3.32Å; S90-D94 PolarHBondContact O-N 2.95Å
95K94.6Very high96Very high53 Ų5363.8 Ų63.823%0.2335%0.345CS..  trans-74.2138.1179.8-66.6-179.2-169.7-172.80110.3V89 S90 S93 F97 E251V89-K95 WeakPolarHBondContact CA-O 3.24Å; S90-K95 PolarHBondContact N-O 2.83Å; S93-K95 PolarHBondContact O-N 3.5Å; S93-K95 WeakPolarHBondContact OG-CB 3.32Å; S93-K95 WeakPolarHBondContact OG-CG 3.32Å; K95-F97 HydrophobicContact CB-CD2 4.44Å; K95-F97 HydrophobicContact CB-CE2 3.76Å; K95-F97 HydrophobicContact CB-CZ 4.14Å; K95-F97 HydrophobicContact CD-CZ 4.48Å; K95-E251 WeakPolarHBondContact CE-OE1 3.03Å; K95-E251 WeakPolarHBondContact CE-OE2 3.24Å; K95-E251 IonicContact NZ-OE1 3.18Å; K95-E251 IonicContact NZ-OE2 3.76Å; K95-E251 PolarHBondContact NZ-OE2 2.87Å
96I97Very high95.8Very high48 Ų4862.8 Ų62.825%0.24634%0.344CS..EExtended strand (participates in β ladder)trans-96115.7175.3-52.7-177.3000108.6V89 S248 R249 Y250V89-I96 HydrophobicContact CG2-CG1 4.23Å; I96-S248 WeakPolarHBondContact O-CA 3.39Å; I96-R249 HydrophobicContact CG2-CG 4.31Å; I96-R249 PolarHBondContact O-N 2.8Å; I96-Y250 HydrophobicContact CB-CE2 4.27Å; I96-Y250 HydrophobicContact CD1-CE2 4.09Å; I96-Y250 HydrophobicContact CG1-CE2 4.3Å
97F98.1Very high95.6Very high7 Ų766.8 Ų66.83%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-96.5126.8170.7-64.2-87000108.3S87 W88 K95 A246 Q247 D255S87-F97 CarbonylContact C-O 3.53Å; S87-F97 WeakPolarHBondContact CA-O 3.18Å; S87-F97 WeakPolarHBondContact CB-O 3.41Å; S87-F97 PolarHBondContact OG-O 2.77Å; W88-F97 AromaticContact CD1-CD2 3.71Å; W88-F97 HydrophobicContact CD2-CB 4.02Å; W88-F97 AromaticContact CE2-CG 3.91Å; W88-F97 HydrophobicContact CG-CB 4.28Å; W88-F97 HydrophobicContact CZ2-CB 4.03Å; W88-F97 HydrophobicContact CZ2-CG 4.23Å; W88-F97 PolarHBondContact N-O 3.39Å; W88-F97 AromaticContact NE1-CD2 3.33Å; W88-F97 VanDerWaalsContact NE1-CD2 3.33Å; W88-F97 AromaticContact NE1-CG 3.61Å; W88-F97 PolarHBondContact O-N 2.95Å; W88-F97 VanDerWaalsContact O-O 3.13Å; K95-F97 HydrophobicContact CB-CD2 4.44Å; K95-F97 HydrophobicContact CB-CE2 3.76Å; K95-F97 HydrophobicContact CB-CZ 4.14Å; K95-F97 HydrophobicContact CD-CZ 4.48Å; F97-A246 HydrophobicContact CB-CB 3.85Å; F97-Q247 WeakPolarHBondContact CA-O 3.29Å; F97-D255 HydrophobicContact CD1-CB 3.64Å; F97-D255 HydrophobicContact CD2-CB 4.31Å; F97-D255 HydrophobicContact CE1-CB 3.31Å; F97-D255 HydrophobicContact CE2-CB 4.02Å; F97-D255 HydrophobicContact CG-CB 4.13Å; F97-D255 HydrophobicContact CZ-CB 3.51Å
98D97.7Very high95Very high29 Ų2966.1 Ų66.116%0.15537%0.365CS..EExtended strand (participates in β ladder)trans-156.7113.9176.3-171.414.7000108.6R85 A86 S87 Q247 R249R85-D98 IonicContact CZ-OD1 3.61Å; R85-D98 IonicContact CZ-OD2 2.65Å; R85-D98 IonicContact NE-OD1 2.64Å; R85-D98 PolarHBondContact NE-OD1 2.78Å; R85-D98 IonicContact NE-OD2 3.04Å; R85-D98 IonicContact NH2-OD1 3.73Å; R85-D98 PolarHBondContact NH2-OD1 2.82Å; R85-D98 IonicContact NH2-OD2 3.92Å; R85-D98 PolarHBondContact NH2-OD2 2.82Å; A86-D98 CarbonylContact O-C 3.56Å; A86-D98 WeakPolarHBondContact O-CA 3.45Å; S87-D98 WeakPolarHBondContact CB-OD1 3.09Å; D98-Q247 PolarHBondContact N-O 3.14Å; D98-Q247 VanDerWaalsContact N-O 3.16Å; D98-R249 HydrophobicContact CB-CG 4.04Å; D98-R249 IonicContact OD2-CZ 3.76Å; D98-R249 IonicContact OD2-NE 3.76Å; D98-R249 PolarHBondContact OD2-NE 2.78Å; D98-R249 IonicContact OD2-NH1 3.98Å; D98-R249 IonicContact OD2-NH2 2.66Å; D98-R249 PolarHBondContact OD2-NH2 2.88Å
99T98.1Very high93.5Very high30 Ų3069 Ų6918%0.18440%0.4CS..EExtended strand (participates in β ladder)trans-134.6142.4176.3-56.90000108.2R85 A86 A246 Q247 L298R85-T99 WeakPolarHBondContact CA-O 3.12Å; R85-T99 WeakPolarHBondContact CG-O 3.42Å; A86-T99 PolarHBondContact N-O 3.5Å; A86-T99 PolarHBondContact O-N 3.44Å; T99-A246 WeakPolarHBondContact OG1-CA 3.26Å; T99-Q247 PolarHBondContact OG1-N 3.43Å; T99-L298 HydrophobicContact CG2-CD1 3.4Å; T99-L298 WeakPolarHBondContact O-CD2 3.49Å
100S97.8Very high91.7Very high61 Ų6171.2 Ų71.243%0.42741%0.409SS..EExtended strand (participates in β ladder)trans-138138.5-176.2168.50000107.8E83 A84E83-S100 WeakPolarHBondContact CG-OG 3.13Å; E83-S100 VanDerWaalsContact OE1-CB 3.25Å; E83-S100 WeakPolarHBondContact OE1-CB 3.25Å; E83-S100 PolarHBondContact OE1-OG 3.04Å; A84-S100 CarbonylContact O-C 3.59Å; A84-S100 WeakPolarHBondContact O-CA 3.45Å
101E96.8Very high89.9Confident79 Ų7975.1 Ų75.137%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-131120.4179.8179.7179.2-165.300108.6E83 A84 L103 L298E83-E101 WeakPolarHBondContact CA-O 3.42Å; A84-E101 HydrophobicContact CB-CB 4.5Å; A84-E101 PolarHBondContact N-O 2.96Å; A84-E101 PolarHBondContact O-N 2.89Å; E101-L103 PolarHBondContact O-N 3.39Å; E101-L298 PolarHBondContact OE2-N 3.47Å
102P97.6Very high88.2Confident103 Ų10368.1 Ų68.167%0.66940%0.403SS*.EExtended strand (participates in β ladder)trans-70.5128.6172.330-32.6000109.7
103L96.9Very high86.4Confident38 Ų3868.4 Ų68.420%0.19940%0.398CS..EExtended strand (participates in β ladder)trans-99.3-31.7179-60.9173.2000112.1G82 A84 E101 L132 P133 I143 Y145G82-L103 PolarHBondContact O-N 2.83Å; A84-L103 HydrophobicContact CB-CD1 4.06Å; A84-L103 HydrophobicContact CB-CD2 4.27Å; A84-L103 HydrophobicContact CB-CG 4.28Å; E101-L103 PolarHBondContact O-N 3.39Å; L103-L132 HydrophobicContact CB-CD2 4.17Å; L103-P133 HydrophobicContact CD1-CG 3.73Å; L103-P133 HydrophobicContact CD2-CG 4.22Å; L103-I143 HydrophobicContact CD1-CG2 3.73Å; L103-Y145 HydrophobicContact CB-CE1 4.24Å; L103-Y145 HydrophobicContact CD1-CE1 4.12Å
104I96.9Very high84.7Confident13 Ų1368.1 Ų68.17%0.06739%0.394CS..EExtended strand (participates in β ladder)trans-158.5142.1179178.3171.7000108.3L80 R81 G82 Q106 L128 P129 L132 Y145L80-I104 HydrophobicContact CD2-CD1 3.59Å; L80-I104 HydrophobicContact CG-CD1 4.18Å; R81-I104 CarbonylContact C-O 3.43Å; R81-I104 VanDerWaalsContact CA-O 3.24Å; R81-I104 WeakPolarHBondContact CA-O 3.45Å; G82-I104 VanDerWaalsContact N-CG2 3.3Å; G82-I104 PolarHBondContact N-O 3.4Å; I104-Q106 HydrophobicContact CD1-CG 4.04Å; I104-Q106 HydrophobicContact CG1-CG 3.86Å; I104-L128 HydrophobicContact CD1-CD2 4.34Å; I104-P129 HydrophobicContact CD1-CG 4.32Å; I104-L132 HydrophobicContact CB-CD2 4.31Å; I104-L132 HydrophobicContact CD1-CD1 4.5Å; I104-L132 HydrophobicContact CG2-CD1 4.46Å; I104-L132 HydrophobicContact CG2-CD2 4.35Å; I104-Y145 HydrophobicContact CG2-CD1 3.7Å; I104-Y145 HydrophobicContact CG2-CE1 3.89Å
105D96.3Very high82.9Confident118 Ų11869.9 Ų69.963%0.63140%0.404SS*.EExtended strand (participates in β ladder)trans-148105.1169.9-169.5-2.1000107.4L80L80-D105 WeakPolarHBondContact O-CA 3.48Å
106Q95Very high81Confident61 Ų6167.4 Ų67.429%0.28539%0.393SS..EExtended strand (participates in β ladder)trans-128.7143.9-177.8-67.4-176.616.700109.7G79 L80 I104 F126 R127G79-Q106 CarbonylContact C-O 3.59Å; G79-Q106 WeakPolarHBondContact CA-O 3.35Å; L80-Q106 PolarHBondContact N-O 3.3Å; L80-Q106 PolarHBondContact O-N 2.92Å; I104-Q106 HydrophobicContact CD1-CG 4.04Å; I104-Q106 HydrophobicContact CG1-CG 3.86Å; Q106-F126 HydrophobicContact CB-CD1 3.89Å; Q106-F126 HydrophobicContact CB-CE1 4.08Å; Q106-R127 PolarHBondContact NE2-O 2.92Å
107T93.1Very high79.1Confident84 Ų8474.7 Ų74.752%0.51542%0.417SS..EExtended strand (participates in β ladder)trans-113.3139.1168.149.90000109.9G109T107-G109 PolarHBondContact O-N 3.24Å
108A86Confident77.4Confident22 Ų2280.5 Ų80.518%0.18244%0.444CS..  trans-65.6129.9174.400000108.5I78 N110 F124 F126I78-A108 HydrophobicContact CB-CB 4.22Å; I78-A108 PolarHBondContact O-N 2.89Å; A108-N110 PolarHBondContact O-N 3.37Å; A108-F124 HydrophobicContact CB-CB 4.32Å; A108-F126 HydrophobicContact CB-CE1 4.18Å; A108-F126 HydrophobicContact CB-CZ 4.05Å
109G67.2Low76Confident78 Ų7887.1 Ų87.180%0.80447%0.472SS*.SBendtrans-67.315.1-160.100000118.7T107T107-G109 PolarHBondContact O-N 3.24Å
110N57.9Low75.3Confident134 Ų13487.1 Ų87.172%0.71747%0.472SS*.  trans-135.6107.3172.4-74.8-28.3000109A108 V112A108-N110 PolarHBondContact O-N 3.37Å; N110-V112 VanDerWaalsContact C-N 3.32Å; N110-V112 HydrophobicContact CB-CG2 4.3Å; N110-V112 WeakPolarHBondContact O-CG2 3.46Å; N110-V112 PolarHBondContact O-N 3.07Å
111N55.4Low74.9Confident93 Ų9387.3 Ų87.350%0.49747%0.474SS..  trans-60.3105154-77.826.3000105.7D75 I113D75-N111 WeakPolarHBondContact OD1-CB 3.24Å; D75-N111 PolarHBondContact OD1-ND2 2.65Å; D75-N111 PolarHBondContact OD2-ND2 3.49Å; N111-I113 PolarHBondContact O-N 2.75Å
112V56Low74.7Confident55 Ų5584.3 Ų84.333%0.33346%0.46SS..  trans-81.896.7-178.1-154.80000106.6N110 V114 I122N110-V112 VanDerWaalsContact C-N 3.32Å; N110-V112 HydrophobicContact CB-CG2 4.3Å; N110-V112 WeakPolarHBondContact O-CG2 3.46Å; N110-V112 PolarHBondContact O-N 3.07Å; V112-V114 HydrophobicContact CB-CG2 3.66Å; V112-V114 HydrophobicContact CG1-CB 4.33Å; V112-V114 HydrophobicContact CG1-CG2 3.26Å; V112-V114 PolarHBondContact O-N 2.86Å; V112-I122 HydrophobicContact CG2-CG2 4.16Å
113I53.1Low74.5Confident148 Ų14884.2 Ų84.276%0.75946%0.459SS*.  trans-70.776.1164.2-51.7174.2000106.2N111N111-I113 PolarHBondContact O-N 2.75Å
114V54.8Low74.3Confident48 Ų4883 Ų8329%0.29145%0.452SS..  trans-86.1135.3176.3-148.30000107.7V112 V116V112-V114 HydrophobicContact CB-CG2 3.66Å; V112-V114 HydrophobicContact CG1-CB 4.33Å; V112-V114 HydrophobicContact CG1-CG2 3.26Å; V112-V114 PolarHBondContact O-N 2.86Å; V114-V116 HydrophobicContact CB-CB 4Å; V114-V116 HydrophobicContact CB-CG2 3.5Å; V114-V116 VanDerWaalsContact CB-CG2 3.5Å; V114-V116 HydrophobicContact CG1-CB 4.39Å; V114-V116 HydrophobicContact CG1-CG2 4.4Å; V114-V116 HydrophobicContact CG2-CG2 3.85Å; V114-V116 PolarHBondContact O-N 3.13Å
115N54.3Low74.3Confident166 Ų16686.3 Ų86.389%0.88847%0.47SS*.  trans-65.575.4139.6-74.5-25.6000106.4R117N115-R117 PolarHBondContact O-N 2.94Å
116V55.2Low74.3Confident1 Ų180.8 Ų80.81%0.00644%0.44CS..  trans-64.9128.6-173.5-161.90000106.4L64 Y66 V73 I76 V114 T120L64-V116 HydrophobicContact CD2-CG1 4.29Å; Y66-V116 HydrophobicContact CE1-CB 3.79Å; Y66-V116 HydrophobicContact CE1-CG1 3.87Å; Y66-V116 HydrophobicContact CE1-CG2 4.2Å; Y66-V116 VanDerWaalsContact OH-CB 3.24Å; Y66-V116 WeakPolarHBondContact OH-CB 3.48Å; Y66-V116 PolarHBondContact OH-O 3.2Å; V73-V116 HydrophobicContact CG1-CG2 4.43Å; I76-V116 HydrophobicContact CD1-CG2 3.88Å; V114-V116 HydrophobicContact CB-CB 4Å; V114-V116 HydrophobicContact CB-CG2 3.5Å; V114-V116 VanDerWaalsContact CB-CG2 3.5Å; V114-V116 HydrophobicContact CG1-CB 4.39Å; V114-V116 HydrophobicContact CG1-CG2 4.4Å; V114-V116 HydrophobicContact CG2-CG2 3.85Å; V114-V116 PolarHBondContact O-N 3.13Å; V116-T120 HydrophobicContact CG1-CG2 3.86Å; V116-T120 WeakPolarHBondContact CG1-OG1 3.48Å
117R58Low74.3Confident201 Ų20185.9 Ų85.976%0.75846%0.457SS*.  trans-71.5159.8168.6-67.1-176.2-179.1-170.20.5109.7E68 N115 K119 T120E68-R117 WeakPolarHBondContact OE1-CA 3.4Å; N115-R117 PolarHBondContact O-N 2.94Å; R117-K119 CarbonylContact O-C 3.52Å; R117-K119 PolarHBondContact O-N 2.92Å; R117-T120 PolarHBondContact N-OG1 2.84Å; R117-T120 PolarHBondContact O-OG1 2.64Å
118E62.2Low74.5Confident128 Ų12882.3 Ų82.360%0.59843%0.434SS*.SBendtrans-39-30.8179.7-68.9-174.9171.700115.6S65 Y66 E68S65-E118 VanDerWaalsContact CA-O 3.3Å; S65-E118 WeakPolarHBondContact CA-O 3.27Å; S65-E118 PolarHBondContact OG-O 2.78Å; S65-E118 VanDerWaalsContact OG-O 3.09Å; Y66-E118 PolarHBondContact N-O 2.77Å; E68-E118 PolarHBondContact OE1-N 2.85Å
119K67.9Low74.9Confident168 Ų16883.3 Ų83.373%0.7344%0.439SS*.EExtended strand (participates in β ladder)trans-132.8123.8169.2-66.5-179.9-177.81770110L64 R117L64-K119 WeakPolarHBondContact O-CA 3.23Å; R117-K119 CarbonylContact O-C 3.52Å; R117-K119 PolarHBondContact O-N 2.92Å
120T83.1Confident76.1Confident31 Ų3183.9 Ų83.919%0.1943%0.431CS..EExtended strand (participates in β ladder)trans-135.6141.5175.9-630000111.3L64 V116 R117 I122L64-T120 PolarHBondContact N-O 2.8Å; L64-T120 PolarHBondContact O-N 3.31Å; V116-T120 HydrophobicContact CG1-CG2 3.86Å; V116-T120 WeakPolarHBondContact CG1-OG1 3.48Å; R117-T120 PolarHBondContact N-OG1 2.84Å; R117-T120 PolarHBondContact O-OG1 2.64Å; T120-I122 HydrophobicContact CG2-CG1 4.03Å
121S89.8Confident77.8Confident65 Ų6581.9 Ų81.946%0.45542%0.42SS..EExtended strand (participates in β ladder)trans-110.8124174.9-73.30000109V62 H63V62-S121 CarbonylContact O-C 3.58Å; V62-S121 VanDerWaalsContact O-CA 3.28Å; V62-S121 WeakPolarHBondContact O-CA 3.24Å; H63-S121 PolarHBondContact CE1-OG 3.4Å; H63-S121 PolarHBondContact ND1-OG 2.66Å
122I91.3Very high79.7Confident15 Ų1577.8 Ų77.88%0.07740%0.398CS..EExtended strand (participates in β ladder)trans-116.7107.7-177.1-53.3173.2000107.8V62 I76 I78 V112 T120V62-I122 HydrophobicContact CB-CB 4.45Å; V62-I122 PolarHBondContact N-O 3.14Å; V62-I122 PolarHBondContact O-N 3.2Å; I76-I122 HydrophobicContact CB-CD1 4.48Å; I76-I122 HydrophobicContact CD1-CD1 3.65Å; I76-I122 HydrophobicContact CG2-CD1 4Å; I78-I122 HydrophobicContact CD1-CB 4.12Å; I78-I122 HydrophobicContact CD1-CG2 3.63Å; V112-I122 HydrophobicContact CG2-CG2 4.16Å; T120-I122 HydrophobicContact CG2-CG1 4.03Å
123P93.4Very high81.6Confident102 Ų10276 Ų7666%0.66239%0.388SS*.EExtended strand (participates in β ladder)trans-71.6149.7175.831-34.2000110.7G60 V61G60-P123 CarbonylContact O-C 3.56Å; G60-P123 WeakPolarHBondContact O-CA 3.17Å; V61-P123 HydrophobicContact CG2-CB 4.5Å
124F94Very high83.7Confident12 Ų1269.3 Ų69.35%0.05335%0.354CS..EExtended strand (participates in β ladder)trans-138.2157.6173.462.6-93000111.1I43 L45 S59 G60 V62 I78 A108 F126 V147I43-F124 HydrophobicContact CG2-CE1 4.17Å; I43-F124 HydrophobicContact CG2-CZ 4.06Å; L45-F124 HydrophobicContact CD2-CE2 4.19Å; L45-F124 HydrophobicContact CD2-CZ 3.78Å; S59-F124 WeakPolarHBondContact CA-O 3.3Å; G60-F124 PolarHBondContact N-O 2.85Å; G60-F124 WeakPolarHBondContact O-CD1 3.44Å; G60-F124 PolarHBondContact O-N 3.01Å; V62-F124 HydrophobicContact CG2-CD1 3.86Å; V62-F124 HydrophobicContact CG2-CE1 3.84Å; I78-F124 HydrophobicContact CD1-CB 4.32Å; I78-F124 HydrophobicContact CD1-CD1 4.39Å; I78-F124 HydrophobicContact CG2-CB 4.07Å; I78-F124 HydrophobicContact CG2-CD1 4.07Å; I78-F124 HydrophobicContact CG2-CG 4.01Å; A108-F124 HydrophobicContact CB-CB 4.32Å; F124-F126 HydrophobicContact CB-CE2 4.45Å; F124-F126 AromaticContact CD2-CD2 3.73Å; F124-F126 HydrophobicContact CD2-CD2 3.73Å; F124-F126 AromaticContact CD2-CE2 3.55Å; F124-F126 HydrophobicContact CD2-CE2 3.55Å; F124-F126 HydrophobicContact CE2-CD2 4.22Å; F124-F126 HydrophobicContact CE2-CE2 4.12Å; F124-F126 HydrophobicContact CG-CE2 4.24Å; F124-V147 HydrophobicContact CE1-CG1 4.44Å; F124-V147 HydrophobicContact CE2-CG1 4.15Å; F124-V147 HydrophobicContact CE2-CG2 4.07Å; F124-V147 HydrophobicContact CZ-CG1 3.97Å; F124-V147 HydrophobicContact CZ-CG2 4.38Å
125L95.2Very high85.8Confident82 Ų8268.3 Ų68.343%0.42935%0.349SS..EExtended strand (participates in β ladder)trans-145.4127.9176.6-17776.3000108.5E57 L58E57-L125 HydrophobicContact CB-CD1 3.9Å; L58-L125 CarbonylContact O-C 3.41Å; L58-L125 WeakPolarHBondContact O-CA 3.23Å
126F96.6Very high87.8Confident3 Ų360.9 Ų60.91%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-119.3144.5172.1-63.7-73.7000109.8E57 L58 I78 L80 Q106 A108 F124 V147E57-F126 CarbonylContact C-O 3.57Å; E57-F126 WeakPolarHBondContact CA-O 3.47Å; L58-F126 HydrophobicContact CB-CB 4.37Å; L58-F126 HydrophobicContact CD2-CD2 4.38Å; L58-F126 PolarHBondContact N-O 2.8Å; L58-F126 PolarHBondContact O-N 2.92Å; I78-F126 HydrophobicContact CG2-CE2 4.26Å; I78-F126 HydrophobicContact CG2-CZ 4.17Å; L80-F126 HydrophobicContact CB-CD1 3.81Å; L80-F126 HydrophobicContact CB-CD2 3.79Å; L80-F126 HydrophobicContact CB-CE1 3.85Å; L80-F126 HydrophobicContact CB-CE2 3.84Å; L80-F126 HydrophobicContact CB-CG 3.78Å; L80-F126 HydrophobicContact CB-CZ 3.87Å; L80-F126 HydrophobicContact CD2-CB 3.65Å; L80-F126 HydrophobicContact CD2-CD1 4.34Å; L80-F126 HydrophobicContact CD2-CD2 4.24Å; L80-F126 HydrophobicContact CD2-CG 3.83Å; L80-F126 HydrophobicContact CG-CG 4.46Å; Q106-F126 HydrophobicContact CB-CD1 3.89Å; Q106-F126 HydrophobicContact CB-CE1 4.08Å; A108-F126 HydrophobicContact CB-CE1 4.18Å; A108-F126 HydrophobicContact CB-CZ 4.05Å; F124-F126 HydrophobicContact CB-CE2 4.45Å; F124-F126 AromaticContact CD2-CD2 3.73Å; F124-F126 HydrophobicContact CD2-CD2 3.73Å; F124-F126 AromaticContact CD2-CE2 3.55Å; F124-F126 HydrophobicContact CD2-CE2 3.55Å; F124-F126 HydrophobicContact CE2-CD2 4.22Å; F124-F126 HydrophobicContact CE2-CE2 4.12Å; F124-F126 HydrophobicContact CG-CE2 4.24Å; F126-V147 HydrophobicContact CE2-CG1 4.43Å; F126-V147 HydrophobicContact CE2-CG2 4.33Å
127R95.9Very high89.8Confident168 Ų16865.9 Ų65.963%0.63433%0.332SS*.EExtended strand (participates in β ladder)trans-101.3116.6170.1-64.5-165.5176.4108.83.1108.7E57 Q106E57-R127 HydrophobicContact CG-CG 4.28Å; E57-R127 IonicContact OE1-CZ 3.54Å; E57-R127 IonicContact OE1-NE 3.48Å; E57-R127 PolarHBondContact OE1-NE 2.83Å; E57-R127 IonicContact OE1-NH2 3.44Å; E57-R127 PolarHBondContact OE1-NH2 2.84Å; Q106-R127 PolarHBondContact NE2-O 2.92Å
128L96.5Very high91.7Very high8 Ų857.6 Ų57.64%0.04231%0.305CS..PPolyproline II helixtrans-76.7131.4178.6-58.7-171.8000109.3V52 G55 S56 L58 L80 I104 L132 V165V52-L128 HydrophobicContact CB-CD1 4.24Å; V52-L128 HydrophobicContact CG1-CD1 3.6Å; G55-L128 CarbonylContact C-O 3.57Å; G55-L128 WeakPolarHBondContact CA-O 3.42Å; G55-L128 PolarHBondContact N-O 2.89Å; S56-L128 WeakPolarHBondContact O-CB 3.38Å; S56-L128 PolarHBondContact O-N 2.64Å; L58-L128 HydrophobicContact CB-CD1 4.49Å; L58-L128 HydrophobicContact CB-CD2 4.27Å; L58-L128 HydrophobicContact CB-CG 4.31Å; L80-L128 HydrophobicContact CD2-CD2 3.42Å; L80-L128 VanDerWaalsContact CD2-CD2 3.42Å; I104-L128 HydrophobicContact CD1-CD2 4.34Å; L128-L132 HydrophobicContact CB-CD1 4.11Å; L128-L132 HydrophobicContact CD2-CD1 4.32Å; L128-V165 HydrophobicContact CD1-CG2 4.18Å
129P95.3Very high93.3Very high43 Ų4358.8 Ų58.828%0.27931%0.308SS..PPolyproline II helixtrans-56146.7166.4-23.632.6000111.5G55 I104 D131 L132G55-P129 PolarHBondContact N-O 3.19Å; I104-P129 HydrophobicContact CD1-CG 4.32Å; P129-D131 VanDerWaalsContact C-N 3.3Å; P129-D131 WeakPolarHBondContact CB-OD1 3.28Å; P129-D131 PolarHBondContact O-N 2.82Å; P129-L132 HydrophobicContact CB-CD2 4.38Å; P129-L132 HydrophobicContact CB-CG 4.06Å; P129-L132 HydrophobicContact CG-CD2 4.36Å; P129-L132 HydrophobicContact CG-CG 4.28Å; P129-L132 WeakPolarHBondContact O-CG 3.36Å
130S92.9Very high94.7Very high91 Ų9152.4 Ų52.464%0.63628%0.28SS*.THydrogen-bonded Turntrans-75.4-18.8-177.652.80000113.9
131D92.1Very high95.4Very high92 Ų9251.4 Ų51.449%0.49228%0.275SS..THydrogen-bonded Turntrans-92.20.1-178.360-26000113.6P129P129-D131 VanDerWaalsContact C-N 3.3Å; P129-D131 WeakPolarHBondContact CB-OD1 3.28Å; P129-D131 PolarHBondContact O-N 2.82Å
132L95.7Very high95.8Very high6 Ų649.9 Ų49.93%0.03126%0.261CS..PPolyproline II helixtrans-58.4129.3177.8-73-170.7000111.8A54 L103 I104 L128 P129 Y145 V165 A167A54-L132 HydrophobicContact CB-CB 3.95Å; L103-L132 HydrophobicContact CB-CD2 4.17Å; I104-L132 HydrophobicContact CB-CD2 4.31Å; I104-L132 HydrophobicContact CD1-CD1 4.5Å; I104-L132 HydrophobicContact CG2-CD1 4.46Å; I104-L132 HydrophobicContact CG2-CD2 4.35Å; L128-L132 HydrophobicContact CB-CD1 4.11Å; L128-L132 HydrophobicContact CD2-CD1 4.32Å; P129-L132 HydrophobicContact CB-CD2 4.38Å; P129-L132 HydrophobicContact CB-CG 4.06Å; P129-L132 HydrophobicContact CG-CD2 4.36Å; P129-L132 HydrophobicContact CG-CG 4.28Å; P129-L132 WeakPolarHBondContact O-CG 3.36Å; L132-Y145 HydrophobicContact CB-CE1 4.5Å; L132-Y145 HydrophobicContact CD1-CD1 4.34Å; L132-Y145 HydrophobicContact CD1-CE1 3.77Å; L132-Y145 HydrophobicContact CD2-CE1 3.93Å; L132-Y145 HydrophobicContact CG-CE1 4.29Å; L132-V165 HydrophobicContact CB-CG1 4.42Å; L132-A167 WeakPolarHBondContact O-CB 3.36Å
133P96.6Very high96.2Very high19 Ų1949.3 Ų49.312%0.12326%0.258CS..PPolyproline II helixtrans-72.9156.8174.930.2-36.4000112.2L103 I143 Y145L103-P133 HydrophobicContact CD1-CG 3.73Å; L103-P133 HydrophobicContact CD2-CG 4.22Å; P133-I143 HydrophobicContact CB-CD1 3.73Å; P133-I143 HydrophobicContact CG-CD1 3.82Å; P133-I143 HydrophobicContact CG-CG2 4.05Å; P133-Y145 WeakPolarHBondContact CD-OH 3.48Å; P133-Y145 WeakPolarHBondContact O-CE2 3.44Å; P133-Y145 PolarHBondContact O-OH 2.73Å
134S97.7Very high96.4Very high7 Ų748.8 Ų48.85%0.04924%0.243CC..PPolyproline II helixtrans-64.5143.6177.5-53.90000112.3I136 V165 A167 P291S134-I136 PolarHBondContact O-N 2.93Å; S134-V165 CarbonylContact C-O 3.6Å; S134-V165 VanDerWaalsContact CA-O 3.3Å; S134-V165 WeakPolarHBondContact CA-O 3.38Å; S134-A167 WeakPolarHBondContact OG-CB 3.4Å; S134-A167 PolarHBondContact OG-N 3.02Å; S134-P291 WeakPolarHBondContact OG-CD 3.31Å
135S98.1Very high96.6Very high26 Ų2648.3 Ų48.318%0.18224%0.24CC..PPolyproline II helixtrans-60.4132.5170.4-620000111.1I143 Y145 V165S135-I143 VanDerWaalsContact CA-O 3.31Å; S135-I143 WeakPolarHBondContact CA-O 3.4Å; S135-Y145 WeakPolarHBondContact OG-CD2 3.33Å; S135-V165 PolarHBondContact N-O 2.9Å; S135-V165 PolarHBondContact OG-N 2.76Å
136I97.4Very high96.7Very high10 Ų1046 Ų465%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-153.6145.6176.9-168.1161.9000109.8S134 F142 I143 V242 V290 V299 V301S134-I136 PolarHBondContact O-N 2.93Å; I136-F142 CarbonylContact O-C 3.51Å; I136-F142 WeakPolarHBondContact O-CA 3.26Å; I136-F142 WeakPolarHBondContact O-CB 3.21Å; I136-I143 HydrophobicContact CG2-CB 4.21Å; I136-I143 HydrophobicContact CG2-CD1 4.16Å; I136-I143 HydrophobicContact CG2-CG1 4.04Å; I136-I143 PolarHBondContact N-O 3.11Å; I136-I143 PolarHBondContact O-N 3.44Å; I136-V242 HydrophobicContact CD1-CB 4.38Å; I136-V242 HydrophobicContact CD1-CG1 3.99Å; I136-V242 HydrophobicContact CD1-CG2 3.44Å; I136-V242 VanDerWaalsContact CD1-CG2 3.44Å; I136-V290 HydrophobicContact CD1-CG2 4.42Å; I136-V299 HydrophobicContact CG2-CG1 3.89Å; I136-V301 HydrophobicContact CD1-CG2 3.62Å
137E96.6Very high96.7Very high106 Ų10645.9 Ų45.950%0.49523%0.227SC..EExtended strand (participates in β ladder)trans-136132.9178.8-56.3-168.8-179.100110.6F142 R144E137-F142 HydrophobicContact CB-CB 4.37Å; E137-F142 HydrophobicContact CG-CB 3.97Å; E137-R144 HydrophobicContact CG-CG 4.48Å; E137-R144 WeakPolarHBondContact OE1-CG 3.36Å; E137-R144 IonicContact OE1-CZ 3.37Å; E137-R144 IonicContact OE1-NE 3.76Å; E137-R144 PolarHBondContact OE1-NE 3.19Å; E137-R144 IonicContact OE1-NH2 2.63Å; E137-R144 PolarHBondContact OE1-NH2 2.66Å; E137-R144 IonicContact OE2-CZ 3.89Å; E137-R144 IonicContact OE2-NE 3.68Å; E137-R144 IonicContact OE2-NH2 3.95Å; E137-R144 PolarHBondContact OE2-NH2 3.39Å
138T97Very high96.7Very high28 Ų2839.6 Ų39.617%0.17220%0.203CC..EExtended strand (participates in β ladder)trans-141.2179.7172.881.30000110.4F140 G141 V242 F244 F259T138-F140 PolarHBondContact O-N 3.49Å; T138-F140 PolarHBondContact OG1-N 3.27Å; T138-F140 VanDerWaalsContact OG1-N 3.12Å; T138-G141 PolarHBondContact N-O 3.46Å; T138-G141 PolarHBondContact O-N 2.94Å; T138-G141 VanDerWaalsContact O-O 3.1Å; T138-V242 HydrophobicContact CG2-CB 4.49Å; T138-V242 HydrophobicContact CG2-CG2 4.41Å; T138-F244 HydrophobicContact CG2-CE2 4.12Å; T138-F244 HydrophobicContact CG2-CZ 3.63Å; T138-F244 VanDerWaalsContact OG1-CE2 3.32Å; T138-F244 WeakPolarHBondContact OG1-CE2 3.35Å; T138-F244 WeakPolarHBondContact OG1-CZ 3.36Å; T138-F259 HydrophobicContact CG2-CB 4.4Å; T138-F259 HydrophobicContact CG2-CD1 3.78Å; T138-F259 HydrophobicContact CG2-CE1 4.37Å; T138-F259 HydrophobicContact CG2-CG 4.23Å
139K96.3Very high96.6Very high153 Ų15339.2 Ų39.267%0.66520%0.201SC*.THydrogen-bonded Turntrans-64.4-15.317468.6-177.2179.4-175.40115.1F259K139-F259 HydrophobicContact CD-CE2 4.37Å; K139-F259 HydrophobicContact CG-CD2 4.49Å
140F97.7Very high96.4Very high34 Ų3438.4 Ų38.415%0.14920%0.196CC..THydrogen-bonded Turntrans-104.7-5.6-177.3-62.2-53.7000113.6A86 S87 W88 T138 F244 R257 F259A86-F140 CarbonylContact C-O 3.49Å; A86-F140 WeakPolarHBondContact CA-O 3.38Å; S87-F140 PolarHBondContact N-O 3.32Å; W88-F140 HydrophobicContact CB-CD1 4.17Å; W88-F140 HydrophobicContact CE3-CB 4.22Å; T138-F140 PolarHBondContact O-N 3.49Å; T138-F140 PolarHBondContact OG1-N 3.27Å; T138-F140 VanDerWaalsContact OG1-N 3.12Å; F140-F244 HydrophobicContact CB-CB 4.42Å; F140-F244 HydrophobicContact CB-CD1 4.22Å; F140-F244 HydrophobicContact CB-CD2 3.77Å; F140-F244 HydrophobicContact CB-CE2 4.08Å; F140-F244 HydrophobicContact CB-CG 3.87Å; F140-F244 HydrophobicContact CB-CZ 4.49Å; F140-F244 HydrophobicContact CD2-CD2 4.34Å; F140-F244 HydrophobicContact CD2-CE2 4.48Å; F140-R257 HydrophobicContact CB-CB 4.48Å; F140-R257 HydrophobicContact CD1-CB 4.31Å; F140-R257 HydrophobicContact CD1-CG 4.33Å; F140-R257 HydrophobicContact CD2-CB 4.01Å; F140-R257 HydrophobicContact CE1-CG 4.35Å; F140-R257 HydrophobicContact CE2-CB 4.22Å; F140-R257 HydrophobicContact CG-CB 4.04Å; F140-R257 HydrophobicContact CZ-CB 4.45Å; F140-F259 HydrophobicContact CD2-CB 4.22Å; F140-F259 HydrophobicContact CE2-CB 4.47Å; F140-F259 HydrophobicContact CE2-CD2 4.41Å
141G98.1Very high96.2Very high9 Ų934.1 Ų34.19%0.09317%0.166CC..EExtended strand (participates in β ladder)trans156.2-178.2-173.300000113.5R85 T138R85-G141 CarbonylContact O-C 3.52Å; R85-G141 WeakPolarHBondContact O-CA 3.41Å; T138-G141 PolarHBondContact N-O 3.46Å; T138-G141 PolarHBondContact O-N 2.94Å; T138-G141 VanDerWaalsContact O-O 3.1Å
142F98.3Very high95.9Very high34 Ų3432.3 Ų32.315%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-152.6163.6-178.159.7-103000113E83 A84 R85 I136 E137 R144E83-F142 HydrophobicContact CB-CE2 4.49Å; E83-F142 HydrophobicContact CG-CE2 4.46Å; A84-F142 CarbonylContact C-O 3.44Å; A84-F142 WeakPolarHBondContact CA-O 3.39Å; R85-F142 HydrophobicContact CB-CD1 4.41Å; R85-F142 HydrophobicContact CB-CD2 4.28Å; R85-F142 HydrophobicContact CB-CE1 3.98Å; R85-F142 HydrophobicContact CB-CE2 3.84Å; R85-F142 HydrophobicContact CB-CZ 3.69Å; R85-F142 HydrophobicContact CG-CE1 4.47Å; R85-F142 HydrophobicContact CG-CZ 4.37Å; R85-F142 PolarHBondContact N-O 3.31Å; R85-F142 PolarHBondContact O-N 3.42Å; I136-F142 CarbonylContact O-C 3.51Å; I136-F142 WeakPolarHBondContact O-CA 3.26Å; I136-F142 WeakPolarHBondContact O-CB 3.21Å; E137-F142 HydrophobicContact CB-CB 4.37Å; E137-F142 HydrophobicContact CG-CB 3.97Å; F142-R144 HydrophobicContact CB-CG 4.07Å; F142-R144 HydrophobicContact CD2-CB 3.67Å; F142-R144 VanDerWaalsContact CD2-CD 3.46Å; F142-R144 HydrophobicContact CD2-CG 3.43Å; F142-R144 VanDerWaalsContact CD2-CG 3.43Å; F142-R144 HydrophobicContact CE2-CB 3.97Å; F142-R144 HydrophobicContact CE2-CG 4.05Å; F142-R144 HydrophobicContact CG-CG 3.88Å
143I98.5Very high95.2Very high2 Ų232.8 Ų32.81%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-117.6116.1156.5-60.6-179.4000105.9E83 A84 L103 P133 S135 I136 Y145 V299E83-I143 WeakPolarHBondContact O-CA 3.2Å; A84-I143 HydrophobicContact CB-CG1 4.15Å; L103-I143 HydrophobicContact CD1-CG2 3.73Å; P133-I143 HydrophobicContact CB-CD1 3.73Å; P133-I143 HydrophobicContact CG-CD1 3.82Å; P133-I143 HydrophobicContact CG-CG2 4.05Å; S135-I143 VanDerWaalsContact CA-O 3.31Å; S135-I143 WeakPolarHBondContact CA-O 3.4Å; I136-I143 HydrophobicContact CG2-CB 4.21Å; I136-I143 HydrophobicContact CG2-CD1 4.16Å; I136-I143 HydrophobicContact CG2-CG1 4.04Å; I136-I143 PolarHBondContact N-O 3.11Å; I136-I143 PolarHBondContact O-N 3.44Å; I143-Y145 HydrophobicContact CG2-CE2 3.7Å; I143-V299 HydrophobicContact CD1-CB 3.91Å; I143-V299 HydrophobicContact CD1-CG1 4.2Å; I143-V299 HydrophobicContact CG1-CB 3.78Å; I143-V299 HydrophobicContact CG1-CG1 4.11Å; I143-V299 HydrophobicContact CG1-CG2 4.34Å
144R98.1Very high94.3Very high92 Ų9239.9 Ų39.935%0.34719%0.191SC..EExtended strand (participates in β ladder)trans-130.3143.4-177.1-76.7175.2-179.6157.2-0.9110.3G82 E83 E137 F142G82-R144 CarbonylContact C-O 3.53Å; G82-R144 WeakPolarHBondContact CA-O 3.45Å; E83-R144 PolarHBondContact N-O 2.82Å; E83-R144 PolarHBondContact O-N 3.05Å; E137-R144 HydrophobicContact CG-CG 4.48Å; E137-R144 WeakPolarHBondContact OE1-CG 3.36Å; E137-R144 IonicContact OE1-CZ 3.37Å; E137-R144 IonicContact OE1-NE 3.76Å; E137-R144 PolarHBondContact OE1-NE 3.19Å; E137-R144 IonicContact OE1-NH2 2.63Å; E137-R144 PolarHBondContact OE1-NH2 2.66Å; E137-R144 IonicContact OE2-CZ 3.89Å; E137-R144 IonicContact OE2-NE 3.68Å; E137-R144 IonicContact OE2-NH2 3.95Å; E137-R144 PolarHBondContact OE2-NH2 3.39Å; F142-R144 HydrophobicContact CB-CG 4.07Å; F142-R144 HydrophobicContact CD2-CB 3.67Å; F142-R144 VanDerWaalsContact CD2-CD 3.46Å; F142-R144 HydrophobicContact CD2-CG 3.43Å; F142-R144 VanDerWaalsContact CD2-CG 3.43Å; F142-R144 HydrophobicContact CE2-CB 3.97Å; F142-R144 HydrophobicContact CE2-CG 4.05Å; F142-R144 HydrophobicContact CG-CG 3.88Å
145Y98.3Very high93.4Very high1 Ų143.5 Ų43.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-122.4144.4169-53.2-89.3000108.4R81 G82 L103 I104 L132 P133 S135 I143 T162 V163 V165R81-Y145 CarbonylContact O-C 3.59Å; R81-Y145 VanDerWaalsContact O-CA 3.28Å; R81-Y145 WeakPolarHBondContact O-CA 3.2Å; G82-Y145 VanDerWaalsContact CA-CD1 3.49Å; L103-Y145 HydrophobicContact CB-CE1 4.24Å; L103-Y145 HydrophobicContact CD1-CE1 4.12Å; I104-Y145 HydrophobicContact CG2-CD1 3.7Å; I104-Y145 HydrophobicContact CG2-CE1 3.89Å; L132-Y145 HydrophobicContact CB-CE1 4.5Å; L132-Y145 HydrophobicContact CD1-CD1 4.34Å; L132-Y145 HydrophobicContact CD1-CE1 3.77Å; L132-Y145 HydrophobicContact CD2-CE1 3.93Å; L132-Y145 HydrophobicContact CG-CE1 4.29Å; P133-Y145 WeakPolarHBondContact CD-OH 3.48Å; P133-Y145 WeakPolarHBondContact O-CE2 3.44Å; P133-Y145 PolarHBondContact O-OH 2.73Å; S135-Y145 WeakPolarHBondContact OG-CD2 3.33Å; I143-Y145 HydrophobicContact CG2-CE2 3.7Å; Y145-T162 CarbonylContact O-C 3.56Å; Y145-T162 WeakPolarHBondContact O-CA 3.46Å; Y145-V163 PolarHBondContact O-N 2.54Å; Y145-V165 HydrophobicContact CD1-CG2 4.38Å; Y145-V165 HydrophobicContact CD2-CB 3.52Å; Y145-V165 HydrophobicContact CD2-CG1 4.46Å; Y145-V165 HydrophobicContact CD2-CG2 3.38Å; Y145-V165 HydrophobicContact CE2-CB 3.54Å; Y145-V165 HydrophobicContact CE2-CG1 4.11Å; Y145-V165 HydrophobicContact CE2-CG2 3.88Å; Y145-V165 HydrophobicContact CG-CB 4.3Å; Y145-V165 HydrophobicContact CG-CG2 3.67Å
146E97.4Very high92.5Very high34 Ų3445.5 Ų45.516%0.15922%0.218CC..EExtended strand (participates in β ladder)trans-147.4138.1177.352.5167.4-114.700111.7L80 R81 S160 R161L80-E146 WeakPolarHBondContact CA-O 3.23Å; R81-E146 HydrophobicContact CG-CG 3.63Å; R81-E146 IonicContact CZ-OE1 2.6Å; R81-E146 PolarHBondContact N-O 2.79Å; R81-E146 VanDerWaalsContact NE-CD 3.3Å; R81-E146 IonicContact NE-OE1 3.09Å; R81-E146 PolarHBondContact NE-OE1 2.61Å; R81-E146 IonicContact NH2-OE1 3.44Å; R81-E146 PolarHBondContact NH2-OE1 2.98Å; R81-E146 IonicContact NH2-OE2 2.7Å; R81-E146 PolarHBondContact O-N 2.85Å; E146-S160 WeakPolarHBondContact OE1-CB 3.41Å; E146-R161 CarbonylContact C-O 3.55Å; E146-R161 VanDerWaalsContact CA-O 3.24Å; E146-R161 WeakPolarHBondContact CA-O 3.49Å; E146-R161 WeakPolarHBondContact CB-O 3.39Å
147V97.4Very high92Very high0 Ų047.4 Ų47.40%023%0.228CC..EExtended strand (participates in β ladder)trans-82.6125.5161.9176.10000106.7I43 L45 L58 I78 G79 L80 F124 F126 S160 R161 V163I43-V147 HydrophobicContact CD1-CG1 4.33Å; I43-V147 WeakPolarHBondContact CD1-O 3.36Å; I43-V147 HydrophobicContact CG2-CB 4.42Å; I43-V147 HydrophobicContact CG2-CG1 4.1Å; L45-V147 HydrophobicContact CD2-CG2 4.33Å; L58-V147 HydrophobicContact CD2-CG2 3.77Å; I78-V147 HydrophobicContact CG2-CG1 4.06Å; G79-V147 CarbonylContact O-C 3.57Å; G79-V147 VanDerWaalsContact O-CA 3.26Å; G79-V147 WeakPolarHBondContact O-CA 3.41Å; L80-V147 HydrophobicContact CD1-CG2 4.15Å; F124-V147 HydrophobicContact CE1-CG1 4.44Å; F124-V147 HydrophobicContact CE2-CG1 4.15Å; F124-V147 HydrophobicContact CE2-CG2 4.07Å; F124-V147 HydrophobicContact CZ-CG1 3.97Å; F124-V147 HydrophobicContact CZ-CG2 4.38Å; F126-V147 HydrophobicContact CE2-CG1 4.43Å; F126-V147 HydrophobicContact CE2-CG2 4.33Å; V147-S160 CarbonylContact O-C 3.56Å; V147-S160 VanDerWaalsContact O-CA 3.24Å; V147-S160 WeakPolarHBondContact O-CA 3.33Å; V147-R161 PolarHBondContact N-O 2.91Å; V147-R161 PolarHBondContact O-N 2.86Å; V147-V163 HydrophobicContact CG2-CG2 3.92Å
148Y95.6Very high91.5Very high36 Ų3646.5 Ų46.514%0.14123%0.23CC..EExtended strand (participates in β ladder)trans-117.1146.8174.767.1-87.9000110.2I78 G79 R81 T159I78-Y148 WeakPolarHBondContact CA-O 3.45Å; G79-Y148 VanDerWaalsContact C-CE1 3.46Å; G79-Y148 PolarHBondContact N-O 3.29Å; G79-Y148 WeakPolarHBondContact O-CD1 3.36Å; G79-Y148 PolarHBondContact O-N 2.94Å; R81-Y148 HydrophobicContact CB-CD1 4.41Å; R81-Y148 HydrophobicContact CB-CE1 4.07Å; R81-Y148 HydrophobicContact CG-CD1 3.9Å; R81-Y148 HydrophobicContact CG-CE1 4.02Å; Y148-T159 CarbonylContact C-O 3.59Å; Y148-T159 WeakPolarHBondContact CA-O 3.42Å
149V93.2Very high91.3Very high0 Ų047.4 Ų47.40%024%0.236CC..EExtended strand (participates in β ladder)trans-124.2124.2174.6-178.20000107.4I41 I43 V62 I76 S77 I78 V151 T158 T159I41-V149 HydrophobicContact CG2-CB 4.09Å; I41-V149 HydrophobicContact CG2-CG1 3.99Å; I43-V149 HydrophobicContact CD1-CG2 3.79Å; I43-V149 HydrophobicContact CG1-CG2 3.83Å; V62-V149 HydrophobicContact CB-CG2 4.36Å; V62-V149 HydrophobicContact CG1-CG1 4.04Å; V62-V149 HydrophobicContact CG1-CG2 3.93Å; V62-V149 HydrophobicContact CG2-CG2 3.46Å; V62-V149 VanDerWaalsContact CG2-CG2 3.46Å; I76-V149 HydrophobicContact CG2-CG1 4.14Å; S77-V149 CarbonylContact O-C 3.37Å; S77-V149 VanDerWaalsContact O-CA 3.3Å; S77-V149 WeakPolarHBondContact O-CA 3.39Å; I78-V149 HydrophobicContact CG1-CG1 4.46Å; I78-V149 HydrophobicContact CG1-CG2 4.27Å; I78-V149 HydrophobicContact CG2-CG2 4.31Å; V149-V151 HydrophobicContact CG1-CG2 4.12Å; V149-T158 VanDerWaalsContact O-CA 3.32Å; V149-T158 WeakPolarHBondContact O-CA 3.4Å; V149-T159 HydrophobicContact CB-CG2 4.21Å; V149-T159 PolarHBondContact N-O 2.89Å; V149-T159 PolarHBondContact O-N 2.8Å
150T91.2Very high91.2Very high26 Ų2642.9 Ų42.916%0.1622%0.223CC..EExtended strand (participates in β ladder)trans-107.4126.9171-60.30000108.7I76 S77 S156 L157 T158I76-T150 WeakPolarHBondContact CA-O 3.38Å; S77-T150 PolarHBondContact N-O 2.99Å; S77-T150 PolarHBondContact O-N 2.8Å; T150-S156 VanDerWaalsContact CG2-OG 3.25Å; T150-S156 WeakPolarHBondContact CG2-OG 3.3Å; T150-L157 CarbonylContact C-O 3.56Å; T150-L157 VanDerWaalsContact CA-O 3.32Å; T150-L157 WeakPolarHBondContact CA-O 3.31Å; T150-T158 PolarHBondContact OG1-OG1 2.99Å
151V88.6Confident91Very high1 Ų144.8 Ų44.81%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-115.7114.5174.5-179.90000107.2I41 L64 V73 I76 V149 V153 L157I41-V151 HydrophobicContact CD1-CB 4.13Å; I41-V151 HydrophobicContact CD1-CG2 3.53Å; I41-V151 HydrophobicContact CG1-CG2 4.15Å; L64-V151 HydrophobicContact CD1-CG2 4.13Å; L64-V151 HydrophobicContact CD2-CG2 4.47Å; V73-V151 HydrophobicContact CG1-CG1 3.82Å; V73-V151 HydrophobicContact CG2-CG1 3.94Å; I76-V151 HydrophobicContact CG1-CG2 4.44Å; I76-V151 HydrophobicContact CG2-CG2 4.4Å; V149-V151 HydrophobicContact CG1-CG2 4.12Å; V151-V153 HydrophobicContact CG1-CG1 4.29Å; V151-L157 PolarHBondContact N-O 2.92Å; V151-L157 PolarHBondContact O-N 3.45Å
152D86.2Confident90.9Very high55 Ų5548 Ų4829%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-87116.6176.4-71.1-26000109V73 T74 D75 S156V73-D152 CarbonylContact C-O 3.53Å; V73-D152 WeakPolarHBondContact CA-O 3.48Å; T74-D152 PolarHBondContact N-O 2.89Å; T74-D152 WeakPolarHBondContact OG1-CB 3.3Å; T74-D152 PolarHBondContact OG1-O 2.9Å; T74-D152 VanDerWaalsContact OG1-O 3.07Å; D75-D152 HydrophobicContact CB-CB 4.12Å; D75-D152 PolarHBondContact O-N 3.18Å; D152-S156 WeakPolarHBondContact OD1-CB 3.22Å
153V81.6Confident90.7Very high16 Ų1646.3 Ų46.310%0.09724%0.24CC..SBendtrans-117.8-142.8167.3-70.40000108.2R72 V73 V151 Y155 L157R72-V153 WeakPolarHBondContact O-CA 3.24Å; V73-V153 HydrophobicContact CB-CG1 4.39Å; V73-V153 HydrophobicContact CG2-CG1 3.74Å; V151-V153 HydrophobicContact CG1-CG1 4.29Å; V153-Y155 HydrophobicContact CG2-CD1 4.37Å; V153-Y155 HydrophobicContact CG2-CD2 4.37Å; V153-Y155 HydrophobicContact CG2-CE1 4.32Å; V153-Y155 HydrophobicContact CG2-CE2 4.36Å; V153-Y155 HydrophobicContact CG2-CG 4.38Å; V153-Y155 WeakPolarHBondContact CG2-O 3.43Å; V153-Y155 PolarHBondContact N-O 2.98Å; V153-Y155 PolarHBondContact O-N 2.79Å; V153-Y155 VanDerWaalsContact O-N 3.1Å; V153-L157 HydrophobicContact CG2-CD1 4.41Å
154E77.4Confident90.5Very high168 Ų16848.2 Ų48.279%0.78525%0.252SS*.SBendtrans-57.7-20.6168.2-64.4178.3170.800112.8
155Y77.4Confident90.4Very high82 Ų8243.9 Ų43.932%0.32224%0.236SC..SBendtrans-142.2157.7173.451-85.1000109.1M36 V153 L157M36-Y155 HydrophobicContact CE-CE1 4.33Å; M36-Y155 PolarHBondContact SD-OH 2.76Å; V153-Y155 HydrophobicContact CG2-CD1 4.37Å; V153-Y155 HydrophobicContact CG2-CD2 4.37Å; V153-Y155 HydrophobicContact CG2-CE1 4.32Å; V153-Y155 HydrophobicContact CG2-CE2 4.36Å; V153-Y155 HydrophobicContact CG2-CG 4.38Å; V153-Y155 WeakPolarHBondContact CG2-O 3.43Å; V153-Y155 PolarHBondContact N-O 2.98Å; V153-Y155 PolarHBondContact O-N 2.79Å; V153-Y155 VanDerWaalsContact O-N 3.1Å; Y155-L157 HydrophobicContact CD2-CD2 4.01Å; Y155-L157 HydrophobicContact CD2-CG 3.94Å; Y155-L157 HydrophobicContact CE2-CD1 3.98Å; Y155-L157 HydrophobicContact CE2-CD2 3.53Å; Y155-L157 HydrophobicContact CE2-CG 3.58Å
156S80.2Confident90.2Very high69 Ų6945.8 Ų45.848%0.48325%0.246SC..EExtended strand (participates in β ladder)trans-78.9123.2176.3168.50000110.2T150 D152T150-S156 VanDerWaalsContact CG2-OG 3.25Å; T150-S156 WeakPolarHBondContact CG2-OG 3.3Å; D152-S156 WeakPolarHBondContact OD1-CB 3.22Å
157L86.4Confident90.1Very high50 Ų5044.9 Ų44.926%0.26224%0.244SC..EExtended strand (participates in β ladder)trans-102.3128.1169.3-76.6174.7000109.5V39 I41 T150 V151 V153 Y155V39-L157 HydrophobicContact CB-CD1 3.74Å; V39-L157 HydrophobicContact CG1-CD1 4.02Å; V39-L157 HydrophobicContact CG2-CD1 3.86Å; I41-L157 HydrophobicContact CD1-CB 4.44Å; T150-L157 CarbonylContact C-O 3.56Å; T150-L157 VanDerWaalsContact CA-O 3.32Å; T150-L157 WeakPolarHBondContact CA-O 3.31Å; V151-L157 PolarHBondContact N-O 2.92Å; V151-L157 PolarHBondContact O-N 3.45Å; V153-L157 HydrophobicContact CG2-CD1 4.41Å; Y155-L157 HydrophobicContact CD2-CD2 4.01Å; Y155-L157 HydrophobicContact CD2-CG 3.94Å; Y155-L157 HydrophobicContact CE2-CD1 3.98Å; Y155-L157 HydrophobicContact CE2-CD2 3.53Å; Y155-L157 HydrophobicContact CE2-CG 3.58Å
158T87.6Confident89.7Confident86 Ų8649.1 Ų49.153%0.52827%0.266SS..EExtended strand (participates in β ladder)trans-123.1130.2176.8-54.90000110.1V149 T150V149-T158 VanDerWaalsContact O-CA 3.32Å; V149-T158 WeakPolarHBondContact O-CA 3.4Å; T150-T158 PolarHBondContact OG1-OG1 2.99Å
159T92.1Very high89Confident48 Ų4847.6 Ų47.629%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-120.9152.6166.8-156.30000109.2I41 I43 Y148 V149I41-T159 HydrophobicContact CB-CG2 3.73Å; I41-T159 HydrophobicContact CD1-CG2 4.44Å; I41-T159 HydrophobicContact CG2-CG2 3.42Å; I41-T159 VanDerWaalsContact CG2-CG2 3.42Å; I43-T159 HydrophobicContact CD1-CG2 3.89Å; I43-T159 HydrophobicContact CG1-CG2 4.16Å; Y148-T159 CarbonylContact C-O 3.59Å; Y148-T159 WeakPolarHBondContact CA-O 3.42Å; V149-T159 HydrophobicContact CB-CG2 4.21Å; V149-T159 PolarHBondContact N-O 2.89Å; V149-T159 PolarHBondContact O-N 2.8Å
160S93.7Very high88.3Confident58 Ų5848.9 Ų48.941%0.40627%0.274SS..EExtended strand (participates in β ladder)trans-139.4159174.6680000112.1E146 V147E146-S160 WeakPolarHBondContact OE1-CB 3.41Å; V147-S160 CarbonylContact O-C 3.56Å; V147-S160 VanDerWaalsContact O-CA 3.24Å; V147-S160 WeakPolarHBondContact O-CA 3.33Å
161R94.2Very high87.2Confident73 Ų7353 Ų5328%0.27529%0.292SS..EExtended strand (participates in β ladder)trans-135.8123.6175.5178.1174.817291.73.8108.8I43 G48 D49 E146 V147I43-R161 HydrophobicContact CB-CB 4.05Å; I43-R161 HydrophobicContact CD1-CB 3.92Å; I43-R161 HydrophobicContact CG2-CB 4.18Å; I43-R161 VanDerWaalsContact O-CD 3.27Å; I43-R161 WeakPolarHBondContact O-CD 3.43Å; G48-R161 PolarHBondContact O-NH2 2.81Å; D49-R161 IonicContact OD1-CZ 2.93Å; D49-R161 IonicContact OD1-NH1 3.44Å; D49-R161 IonicContact OD1-NH2 3.64Å; D49-R161 PolarHBondContact OD1-NH2 2.84Å; E146-R161 CarbonylContact C-O 3.55Å; E146-R161 VanDerWaalsContact CA-O 3.24Å; E146-R161 WeakPolarHBondContact CA-O 3.49Å; E146-R161 WeakPolarHBondContact CB-O 3.39Å; V147-R161 PolarHBondContact N-O 2.91Å; V147-R161 PolarHBondContact O-N 2.86Å
162T95.1Very high86.2Confident76 Ų7660 Ų6047%0.46633%0.328SS..EExtended strand (participates in β ladder)trans-63.6142.2175.2-51.40000110.8Y145Y145-T162 CarbonylContact O-C 3.56Å; Y145-T162 WeakPolarHBondContact O-CA 3.46Å
163V94Very high85.7Confident0 Ų062 Ų620%034%0.337CS..EExtended strand (participates in β ladder)trans-121.2111.9176.3-174.80000108.2L45 V52 L58 Y145 V147 V165L45-V163 HydrophobicContact CD1-CG2 3.93Å; V52-V163 HydrophobicContact CG2-CG1 4.32Å; L58-V163 HydrophobicContact CD1-CG1 3.85Å; L58-V163 HydrophobicContact CD2-CG1 4.07Å; L58-V163 HydrophobicContact CD2-CG2 4.04Å; Y145-V163 PolarHBondContact O-N 2.54Å; V147-V163 HydrophobicContact CG2-CG2 3.92Å; V163-V165 HydrophobicContact CG1-CG2 4.31Å; V163-V165 PolarHBondContact O-N 3.19Å
164P94.2Very high85.4Confident41 Ų4161.2 Ų61.227%0.26633%0.332SS..  trans-68122.4171.622.2-23.7000109.3P51 V52P51-P164 CarbonylContact C-O 3.56Å; P51-P164 VanDerWaalsContact CA-O 3.23Å; P51-P164 WeakPolarHBondContact CA-O 3.24Å; P51-P164 HydrophobicContact CB-CB 4.11Å; P51-P164 HydrophobicContact CB-CG 4.4Å; P51-P164 HydrophobicContact CG-CB 4.23Å; P51-P164 HydrophobicContact CG-CG 4.41Å; V52-P164 PolarHBondContact N-O 3.05Å
165V95.9Very high85Confident1 Ų156.6 Ų56.61%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-112.1141.4176.1175.70000109.4V52 A54 L128 L132 S134 S135 Y145 V163V52-V165 CarbonylContact O-C 3.59Å; V52-V165 VanDerWaalsContact O-CA 3.23Å; V52-V165 WeakPolarHBondContact O-CA 3.37Å; A54-V165 HydrophobicContact CB-CG1 4.4Å; L128-V165 HydrophobicContact CD1-CG2 4.18Å; L132-V165 HydrophobicContact CB-CG1 4.42Å; S134-V165 CarbonylContact C-O 3.6Å; S134-V165 VanDerWaalsContact CA-O 3.3Å; S134-V165 WeakPolarHBondContact CA-O 3.38Å; S135-V165 PolarHBondContact N-O 2.9Å; S135-V165 PolarHBondContact OG-N 2.76Å; Y145-V165 HydrophobicContact CD1-CG2 4.38Å; Y145-V165 HydrophobicContact CD2-CB 3.52Å; Y145-V165 HydrophobicContact CD2-CG1 4.46Å; Y145-V165 HydrophobicContact CD2-CG2 3.38Å; Y145-V165 HydrophobicContact CE2-CB 3.54Å; Y145-V165 HydrophobicContact CE2-CG1 4.11Å; Y145-V165 HydrophobicContact CE2-CG2 3.88Å; Y145-V165 HydrophobicContact CG-CB 4.3Å; Y145-V165 HydrophobicContact CG-CG2 3.67Å; V163-V165 HydrophobicContact CG1-CG2 4.31Å; V163-V165 PolarHBondContact O-N 3.19Å
166I95.7Very high85.1Confident42 Ų4257.4 Ų57.422%0.21534%0.336CS..EExtended strand (participates in β ladder)trans-118.7123174.7-59.7-65.2000108.4P51 V52 A53 A54 V290 P291 T325P51-I166 HydrophobicContact CB-CD1 4.24Å; P51-I166 HydrophobicContact CB-CG1 3.5Å; P51-I166 VanDerWaalsContact CB-CG1 3.5Å; P51-I166 HydrophobicContact CG-CG1 4.3Å; V52-I166 PolarHBondContact O-N 3.41Å; A53-I166 CarbonylContact C-O 3.54Å; A53-I166 WeakPolarHBondContact CA-O 3.47Å; A54-I166 PolarHBondContact N-O 3.12Å; I166-V290 HydrophobicContact CD1-CG1 3.95Å; I166-P291 HydrophobicContact CG2-CG 4.41Å; I166-T325 HydrophobicContact CG2-CG2 3.92Å
167A94.2Very high85.1Confident14 Ų1456.5 Ų56.512%0.11633%0.325CS..  trans-59.7143.6172.400000110.1L132 S134 P291 T325L132-A167 WeakPolarHBondContact O-CB 3.36Å; S134-A167 WeakPolarHBondContact OG-CB 3.4Å; S134-A167 PolarHBondContact OG-N 3.02Å; A167-P291 HydrophobicContact CB-CG 4.12Å; A167-P291 WeakPolarHBondContact O-CG 3.25Å; A167-T325 WeakPolarHBondContact O-CG2 3.46Å
168L88.5Confident85Confident89 Ų8959.2 Ų59.247%0.46635%0.346SS..  trans-91.1115171.5-70.3-177.8000109.4A53 A54A53-L168 HydrophobicContact CB-CD1 4.11Å; A53-L168 HydrophobicContact CB-CD2 3.77Å; A53-L168 HydrophobicContact CB-CG 3.93Å; A54-L168 VanDerWaalsContact O-CD1 3.24Å; A54-L168 WeakPolarHBondContact O-CD1 3.31Å
169T82.3Confident84.9Confident4 Ų460 Ų603%0.02536%0.355CS..  trans-127.890.1179.3-59.90000107.8L174 L294 A324 T325T169-L174 HydrophobicContact CG2-CD1 3.79Å; T169-L174 HydrophobicContact CG2-CD2 3.46Å; T169-L174 VanDerWaalsContact CG2-CD2 3.46Å; T169-L174 HydrophobicContact CG2-CG 3.61Å; T169-L294 HydrophobicContact CG2-CD1 3.73Å; T169-L294 HydrophobicContact CG2-CG 4.07Å; T169-A324 CarbonylContact O-C 3.55Å; T169-A324 VanDerWaalsContact O-CA 3.26Å; T169-A324 WeakPolarHBondContact O-CA 3.33Å; T169-A324 WeakPolarHBondContact O-CB 3.08Å; T169-T325 PolarHBondContact N-OG1 2.92Å; T169-T325 VanDerWaalsContact N-OG1 3.13Å; T169-T325 PolarHBondContact O-N 3.11Å; T169-T325 PolarHBondContact O-OG1 3.19Å
170G77.9Confident84.8Confident28 Ų2859.9 Ų59.929%0.28935%0.353SS..  trans-75.9150.7179.800000112.8L172 M173 L174G170-L172 PolarHBondContact O-N 2.81Å; G170-M173 WeakPolarHBondContact O-CB 3.34Å; G170-M173 PolarHBondContact O-N 3Å; G170-L174 PolarHBondContact O-N 2.9Å; G170-L174 VanDerWaalsContact O-N 3.14Å
171E67.7Low84.8Confident112 Ų11260.6 Ų60.652%0.52336%0.357SS..Hα-helixtrans-52.8-39.7176.3-70-178.1-177.900112.6M173 L174 S175 V210 T212 A324E171-M173 VanDerWaalsContact C-N 3.34Å; E171-M173 PolarHBondContact O-N 2.91Å; E171-L174 PolarHBondContact O-N 2.88Å; E171-S175 WeakPolarHBondContact O-CB 3.49Å; E171-S175 PolarHBondContact O-N 2.71Å; E171-V210 HydrophobicContact CG-CG1 4.39Å; E171-T212 PolarHBondContact OE1-OG1 2.8Å; E171-A324 HydrophobicContact CG-CB 4.1Å
172L68.2Low84.9Confident147 Ų14759.3 Ų59.377%0.7736%0.358SS*.Hα-helixtrans-62.8-39.9178.3-174.166.6000112.1G170 L174 S175 S176G170-L172 PolarHBondContact O-N 2.81Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.81Å; L172-S175 WeakPolarHBondContact CA-OG 3.45Å; L172-S175 PolarHBondContact O-N 2.81Å; L172-S175 PolarHBondContact O-OG 3.02Å; L172-S176 PolarHBondContact O-N 3.42Å
173M75.6Confident85Confident98 Ų9859.7 Ų59.748%0.48335%0.354SS..Hα-helixtrans-63.7-42.3175.9-63.3-179.868.800110.4G170 E171 S176G170-M173 WeakPolarHBondContact O-CB 3.34Å; G170-M173 PolarHBondContact O-N 3Å; E171-M173 VanDerWaalsContact C-N 3.34Å; E171-M173 PolarHBondContact O-N 2.91Å; M173-S176 PolarHBondContact O-N 3.15Å; M173-S176 PolarHBondContact O-OG 2.91Å
174L75.4Confident85.2Confident0 Ų062.7 Ų62.70%037%0.368CS..Hα-helixtrans-67.7-39.4178-64.6178.9000112.3T169 G170 E171 L172 S176 L177 W209 V210 L294 Y322 A324T169-L174 HydrophobicContact CG2-CD1 3.79Å; T169-L174 HydrophobicContact CG2-CD2 3.46Å; T169-L174 VanDerWaalsContact CG2-CD2 3.46Å; T169-L174 HydrophobicContact CG2-CG 3.61Å; G170-L174 PolarHBondContact O-N 2.9Å; G170-L174 VanDerWaalsContact O-N 3.14Å; E171-L174 PolarHBondContact O-N 2.88Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.81Å; L174-S176 PolarHBondContact O-N 2.93Å; L174-S176 VanDerWaalsContact O-N 3.11Å; L174-L177 HydrophobicContact CD2-CD1 3.83Å; L174-L177 VanDerWaalsContact O-CB 3.23Å; L174-L177 WeakPolarHBondContact O-CB 3.15Å; L174-L177 WeakPolarHBondContact O-CG 3.43Å; L174-L177 PolarHBondContact O-N 3.31Å; L174-W209 WeakPolarHBondContact O-CH2 2.98Å; L174-V210 HydrophobicContact CB-CG1 4.28Å; L174-V210 HydrophobicContact CB-CG2 3.93Å; L174-V210 HydrophobicContact CD1-CG1 3.55Å; L174-V210 HydrophobicContact CD1-CG2 4.34Å; L174-L294 HydrophobicContact CD2-CD1 3.86Å; L174-L294 HydrophobicContact CD2-CD2 3.6Å; L174-L294 HydrophobicContact CD2-CG 4.18Å; L174-Y322 HydrophobicContact CD2-CD2 3.79Å; L174-Y322 HydrophobicContact CD2-CG 4.27Å; L174-A324 HydrophobicContact CD1-CB 3.65Å
175S69.7Low85.4Confident71 Ų7166.6 Ų66.650%0.49738%0.381SS..Hα-helixtrans-63.5-17.3179.4720000114E171 L172 L177E171-S175 WeakPolarHBondContact O-CB 3.49Å; E171-S175 PolarHBondContact O-N 2.71Å; L172-S175 WeakPolarHBondContact CA-OG 3.45Å; L172-S175 PolarHBondContact O-N 2.81Å; L172-S175 PolarHBondContact O-OG 3.02Å; S175-L177 VanDerWaalsContact C-N 3.31Å
176S77.7Confident85.5Confident98 Ų9870.5 Ų70.569%0.68540%0.399SS*.THydrogen-bonded Turntrans-80-12.7173.576.60000113.8L172 M173 L174L172-S176 PolarHBondContact O-N 3.42Å; M173-S176 PolarHBondContact O-N 3.15Å; M173-S176 PolarHBondContact O-OG 2.91Å; L174-S176 PolarHBondContact O-N 2.93Å; L174-S176 VanDerWaalsContact O-N 3.11Å
177L81.1Confident85.5Confident50 Ų5073.6 Ų73.626%0.26241%0.412SS..SBendtrans-78.2157.7177.5-59.9171.9000110.6L174 S175 S179 W209 L294 Y322L174-L177 HydrophobicContact CD2-CD1 3.83Å; L174-L177 VanDerWaalsContact O-CB 3.23Å; L174-L177 WeakPolarHBondContact O-CB 3.15Å; L174-L177 WeakPolarHBondContact O-CG 3.43Å; L174-L177 PolarHBondContact O-N 3.31Å; S175-L177 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.44Å; L177-W209 HydrophobicContact CB-CH2 4.37Å; L177-L294 HydrophobicContact CD1-CD2 3.71Å; L177-Y322 HydrophobicContact CB-CE2 4.28Å; L177-Y322 HydrophobicContact CD1-CD2 3.89Å; L177-Y322 HydrophobicContact CD1-CE2 3.36Å; L177-Y322 HydrophobicContact CG-CE2 4.44Å
178P83.8Confident85.5Confident108 Ų10874.3 Ų74.370%0.70141%0.413SS*.PPolyproline II helixtrans-53.3130.2175-25.234.6000111.1L180P178-L180 PolarHBondContact O-N 2.7Å
179S85.7Confident85.6Confident101 Ų10174.6 Ų74.671%0.70642%0.415SS*.PPolyproline II helixtrans-59.9135.2178.9-55.60000110.8L177L177-S179 PolarHBondContact O-N 3.44Å
180L89.6Confident85.5Confident47 Ų4776.4 Ų76.425%0.24643%0.425CS..PPolyproline II helixtrans-94.9159.4175.1-57.6175.2000109.7P178 T182 W209 P320 Y322P178-L180 PolarHBondContact O-N 2.7Å; L180-T182 PolarHBondContact O-N 2.83Å; L180-W209 HydrophobicContact CB-CB 3.84Å; L180-W209 HydrophobicContact CB-CD2 4.13Å; L180-W209 HydrophobicContact CB-CE3 4.44Å; L180-W209 HydrophobicContact CB-CG 3.85Å; L180-W209 HydrophobicContact CD1-CB 4.43Å; L180-W209 HydrophobicContact CD1-CD2 4.44Å; L180-W209 HydrophobicContact CD1-CE3 3.93Å; L180-W209 HydrophobicContact CG-CD2 4.26Å; L180-W209 HydrophobicContact CG-CE3 4.09Å; L180-W209 HydrophobicContact CG-CG 4.46Å; L180-P320 HydrophobicContact CB-CG 4.39Å; L180-P320 HydrophobicContact CD1-CB 4.09Å; L180-P320 HydrophobicContact CD1-CG 4.03Å; L180-P320 HydrophobicContact CD2-CG 4.37Å; L180-P320 HydrophobicContact CG-CG 4.5Å; L180-Y322 HydrophobicContact CD1-CE1 4.3Å; L180-Y322 HydrophobicContact CD1-CE2 4.36Å
181S93.9Very high85.3Confident72 Ų7280.6 Ų80.650%0.50344%0.444SS..PPolyproline II helixtrans-61.5140.5171.5-165.70000109.9E183 L319S181-E183 PolarHBondContact OG-N 2.84Å; S181-E183 PolarHBondContact OG-O 2.88Å; S181-L319 WeakPolarHBondContact O-CD2 3.22Å
182T96.3Very high85.2Confident47 Ų4778 Ų7829%0.28844%0.436SS..SBendtrans-106.54172.859.50000112.1L180 Q205 T206 W209 L319L180-T182 PolarHBondContact O-N 2.83Å; T182-Q205 CarbonylContact O-C 3.55Å; T182-Q205 VanDerWaalsContact O-CA 3.32Å; T182-Q205 WeakPolarHBondContact O-CA 3.43Å; T182-T206 WeakPolarHBondContact CB-O 3.22Å; T182-T206 PolarHBondContact O-N 3.04Å; T182-W209 HydrophobicContact CG2-CB 4.35Å; T182-W209 HydrophobicContact CG2-CG 4.48Å; T182-L319 WeakPolarHBondContact O-CD1 3.41Å
183E97.6Very high85Confident84 Ų8476.2 Ų76.239%0.39344%0.435SS..EExtended strand (participates in β ladder)trans-140.7140.2178.6-173.8178.415900110.8S181 L204 Q205S181-E183 PolarHBondContact OG-N 2.84Å; S181-E183 PolarHBondContact OG-O 2.88Å; E183-L204 CarbonylContact C-O 3.44Å; E183-L204 VanDerWaalsContact CA-O 3.24Å; E183-L204 WeakPolarHBondContact CA-O 3.37Å; E183-Q205 HydrophobicContact CB-CB 4.41Å; E183-Q205 HydrophobicContact CB-CG 4.32Å; E183-Q205 HydrophobicContact CG-CB 4.17Å; E183-Q205 HydrophobicContact CG-CG 4.41Å
184H98.3Very high84.4Confident63 Ų6375.9 Ų75.929%0.29244%0.441SS..EExtended strand (participates in β ladder)trans-141.4126171.9-169168.1000108.3E186 E203 L204 I317 G318 L319H184-E186 IonicContact NE2-OE2 3.46Å; H184-E203 WeakPolarHBondContact O-CA 3.4Å; H184-L204 PolarHBondContact N-O 3.36Å; H184-L204 PolarHBondContact O-N 2.95Å; H184-I317 WeakPolarHBondContact O-CD1 3.1Å; H184-G318 PolarHBondContact ND1-O 3.49Å; H184-L319 HydrophobicContact CB-CD2 3.75Å; H184-L319 HydrophobicContact CB-CG 4.15Å
185K98.2Very high83.6Confident123 Ų12387.3 Ų87.354%0.53548%0.484SS..EExtended strand (participates in β ladder)trans-124.8133172-178.8177.9-168.4137.10110.2V201 L202 E203K185-V201 HydrophobicContact CG-CG1 4.32Å; K185-L202 VanDerWaalsContact CA-O 3.31Å; K185-L202 WeakPolarHBondContact CA-O 3.42Å; K185-E203 HydrophobicContact CB-CB 4.41Å; K185-E203 HydrophobicContact CB-CG 4.22Å; K185-E203 WeakPolarHBondContact CE-OE2 3.39Å; K185-E203 HydrophobicContact CG-CB 4.28Å; K185-E203 HydrophobicContact CG-CG 4.4Å; K185-E203 IonicContact NZ-OE2 3.32Å; K185-E203 PolarHBondContact NZ-OE2 2.85Å
186E97.9Very high83.4Confident82 Ų8291.3 Ų91.338%0.38349%0.489SS..EExtended strand (participates in β ladder)trans-142.7145.5176.1-164.9165.7-172.600110.7H184 F188 V201 L202 I317H184-E186 IonicContact NE2-OE2 3.46Å; E186-F188 HydrophobicContact CB-CE2 3.97Å; E186-F188 HydrophobicContact CB-CZ 3.97Å; E186-F188 HydrophobicContact CG-CE1 4.15Å; E186-F188 HydrophobicContact CG-CE2 4.1Å; E186-F188 HydrophobicContact CG-CZ 3.79Å; E186-V201 WeakPolarHBondContact O-CA 3.48Å; E186-L202 PolarHBondContact N-O 3.44Å; E186-L202 PolarHBondContact O-N 2.6Å; E186-I317 HydrophobicContact CB-CG2 3.54Å
187Q96.4Very high83.2Confident107 Ų10793 Ų9350%0.549%0.485SS..EExtended strand (participates in β ladder)trans-111.5129.2173.4177.7178-51.600108.9D189 V199 I200 V201Q187-D189 PolarHBondContact NE2-OD1 2.81Å; Q187-D189 PolarHBondContact NE2-OD2 3.49Å; Q187-D189 VanDerWaalsContact NE2-OD2 3.15Å; Q187-V199 HydrophobicContact CG-CG1 3.71Å; Q187-I200 WeakPolarHBondContact CA-O 3.31Å; Q187-V201 HydrophobicContact CB-CG2 4.24Å; Q187-V201 HydrophobicContact CG-CG2 4.05Å
188F93.8Very high83.2Confident30 Ų3090.9 Ų90.913%0.13247%0.474CS..EExtended strand (participates in β ladder)trans-107.8115.9177.8-58-85.4000109.3E186 V199 I200 L202 H315 I317E186-F188 HydrophobicContact CB-CE2 3.97Å; E186-F188 HydrophobicContact CB-CZ 3.97Å; E186-F188 HydrophobicContact CG-CE1 4.15Å; E186-F188 HydrophobicContact CG-CE2 4.1Å; E186-F188 HydrophobicContact CG-CZ 3.79Å; F188-V199 WeakPolarHBondContact O-CA 2.99Å; F188-I200 PolarHBondContact N-O 2.81Å; F188-I200 PolarHBondContact O-N 3.5Å; F188-L202 HydrophobicContact CD2-CD1 4.31Å; F188-L202 HydrophobicContact CD2-CG 4.23Å; F188-L202 HydrophobicContact CE2-CB 4.23Å; F188-L202 HydrophobicContact CE2-CD1 3.68Å; F188-L202 HydrophobicContact CE2-CG 3.87Å; F188-L202 HydrophobicContact CZ-CD1 4.49Å; F188-H315 HydrophobicContact CD1-CB 4.1Å; F188-H315 AromaticContact CD1-CG 3.89Å; F188-H315 AromaticContact CD1-ND1 3.36Å; F188-H315 WeakPolarHBondContact CD1-ND1 3.4Å; F188-H315 HydrophobicContact CD2-CB 3.98Å; F188-H315 HydrophobicContact CE1-CB 4.25Å; F188-H315 HydrophobicContact CE2-CB 4.14Å; F188-H315 HydrophobicContact CG-CB 3.96Å; F188-H315 AromaticContact CG-CG 3.73Å; F188-H315 AromaticContact CG-ND1 3.58Å; F188-H315 HydrophobicContact CZ-CB 4.27Å; F188-I317 HydrophobicContact CE2-CG2 3.89Å; F188-I317 HydrophobicContact CZ-CG2 3.74Å
189D90.1Very high83.6Confident94 Ų9486.7 Ų86.750%0.50345%0.446SS..EExtended strand (participates in β ladder)trans-107.5101.2178.6-64.7-33.4000110.2Q187 N198 V199Q187-D189 PolarHBondContact NE2-OD1 2.81Å; Q187-D189 PolarHBondContact NE2-OD2 3.49Å; Q187-D189 VanDerWaalsContact NE2-OD2 3.15Å; D189-N198 WeakPolarHBondContact CA-O 3.29Å; D189-V199 WeakPolarHBondContact OD1-CG2 3.44Å
190D81.4Confident84.1Confident43 Ų4382 Ų8223%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-95.9122.8172.5-75.5-33000110N198 T313 H315D190-N198 HydrophobicContact CB-CB 3.86Å; D190-N198 PolarHBondContact N-O 2.87Å; D190-N198 WeakPolarHBondContact O-CB 3.15Å; D190-N198 PolarHBondContact O-N 2.76Å; D190-T313 WeakPolarHBondContact OD2-CB 3.39Å; D190-T313 PolarHBondContact OD2-OG1 2.77Å; D190-H315 IonicContact OD1-CE1 3.53Å; D190-H315 IonicContact OD2-CE1 2.9Å; D190-H315 PolarHBondContact OD2-CE1 3.4Å; D190-H315 VanDerWaalsContact OD2-CE1 3.32Å; D190-H315 IonicContact OD2-NE2 2.71Å; D190-H315 PolarHBondContact OD2-NE2 2.81Å
191V73.6Confident84.5Confident115 Ų11580.6 Ų80.670%0.69741%0.407SS*.EExtended strand (participates in β ladder)trans-89.7110.2170.1-179.40000108.8
192V65.2Low84.7Confident58 Ų5877.1 Ų77.135%0.35238%0.383SS..EExtended strand (participates in β ladder)trans-100.6131.5171.4-175.20000109R196 N198V192-R196 PolarHBondContact N-O 3.03Å; V192-N198 WeakPolarHBondContact CG2-ND2 2.92Å
193C63.3Low84.8Confident110 Ų11076.4 Ų76.474%0.74338%0.376SS*.THydrogen-bonded Turntrans-23.9127.8-176.5-169.60000115.4
194C63.5Low84.8Confident91 Ų9172.4 Ų72.462%0.61536%0.357SS*.THydrogen-bonded Turntrans65.460176.8-57.70000116.8
195W58.3Low84.8Confident239 Ų23972 Ų7291%0.90536%0.356SS*.THydrogen-bonded Turntrans77.720.9165.2-48.4-77.7000118.1
196R66.1Low84.8Confident156 Ų15666.6 Ų66.659%0.58933%0.333SS*.EExtended strand (participates in β ladder)trans-101.1108.1171-65.7-175.1-176.4156.92.4110.5V192V192-R196 PolarHBondContact N-O 3.03Å
197H72.4Confident84.6Confident132 Ų13268.2 Ų68.261%0.61135%0.353SS*.EExtended strand (participates in β ladder)trans-80.2124.1169.8-70.7-92.1000109.2V199H197-V199 HydrophobicContact CB-CG2 4.49Å
198N82.8Confident84.4Confident7 Ų765 Ų654%0.03734%0.343CS..EExtended strand (participates in β ladder)trans-103109.2167.6-76.5-17.7000107.6D189 D190 V192 H228D189-N198 WeakPolarHBondContact CA-O 3.29Å; D190-N198 HydrophobicContact CB-CB 3.86Å; D190-N198 PolarHBondContact N-O 2.87Å; D190-N198 WeakPolarHBondContact O-CB 3.15Å; D190-N198 PolarHBondContact O-N 2.76Å; V192-N198 WeakPolarHBondContact CG2-ND2 2.92Å; N198-H228 PolarHBondContact OD1-CE1 2.83Å; N198-H228 PolarHBondContact OD1-ND1 2.89Å
199V92.2Very high84.4Confident19 Ų1965 Ų6512%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-110.3125.5176.3-176.90000108.3Q187 F188 D189 H197 V201 Q226 S227Q187-V199 HydrophobicContact CG-CG1 3.71Å; F188-V199 WeakPolarHBondContact O-CA 2.99Å; D189-V199 WeakPolarHBondContact OD1-CG2 3.44Å; H197-V199 HydrophobicContact CB-CG2 4.49Å; V199-V201 HydrophobicContact CG1-CG2 4.33Å; V199-Q226 HydrophobicContact CB-CB 3.88Å; V199-Q226 HydrophobicContact CG1-CB 4.44Å; V199-Q226 CarbonylContact O-C 3.57Å; V199-Q226 WeakPolarHBondContact O-CA 3.12Å; V199-Q226 WeakPolarHBondContact O-CB 3.18Å; V199-Q226 PolarHBondContact O-N 2.89Å; V199-S227 PolarHBondContact O-N 2.83Å
200I95.1Very high84.6Confident2 Ų261.3 Ų61.31%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-124.6128170.2-64168.5000107.5Q187 F188 L202 V224 L231 V309 N311Q187-I200 WeakPolarHBondContact CA-O 3.31Å; F188-I200 PolarHBondContact N-O 2.81Å; F188-I200 PolarHBondContact O-N 3.5Å; I200-L202 HydrophobicContact CG2-CD2 3.75Å; I200-L202 HydrophobicContact CG2-CG 4.14Å; I200-V224 WeakPolarHBondContact CA-O 3.24Å; I200-L231 HydrophobicContact CD1-CD2 4.02Å; I200-V309 HydrophobicContact CG2-CG2 4.21Å; I200-N311 HydrophobicContact CD1-CB 3.68Å
201V97.2Very high85.2Confident18 Ų1859.3 Ų59.311%0.10931%0.312CS..EExtended strand (participates in β ladder)trans-110125.8173.2-171.80000108.4K185 E186 Q187 V199 V223 V224K185-V201 HydrophobicContact CG-CG1 4.32Å; E186-V201 WeakPolarHBondContact O-CA 3.48Å; Q187-V201 HydrophobicContact CB-CG2 4.24Å; Q187-V201 HydrophobicContact CG-CG2 4.05Å; V199-V201 HydrophobicContact CG1-CG2 4.33Å; V201-V223 WeakPolarHBondContact O-CA 3.44Å; V201-V224 HydrophobicContact CB-CB 4.01Å; V201-V224 HydrophobicContact CB-CG2 4.26Å; V201-V224 HydrophobicContact CG2-CB 4.41Å; V201-V224 PolarHBondContact N-O 2.89Å; V201-V224 PolarHBondContact O-N 3.42Å
202L98.3Very high86.2Confident0 Ų054.5 Ų54.50%028%0.283CS..EExtended strand (participates in β ladder)trans-112.9137.2175.3-58.7-173.1000109.1K185 E186 F188 I200 V223 L307 V309 H315 I317K185-L202 VanDerWaalsContact CA-O 3.31Å; K185-L202 WeakPolarHBondContact CA-O 3.42Å; E186-L202 PolarHBondContact N-O 3.44Å; E186-L202 PolarHBondContact O-N 2.6Å; F188-L202 HydrophobicContact CD2-CD1 4.31Å; F188-L202 HydrophobicContact CD2-CG 4.23Å; F188-L202 HydrophobicContact CE2-CB 4.23Å; F188-L202 HydrophobicContact CE2-CD1 3.68Å; F188-L202 HydrophobicContact CE2-CG 3.87Å; F188-L202 HydrophobicContact CZ-CD1 4.49Å; I200-L202 HydrophobicContact CG2-CD2 3.75Å; I200-L202 HydrophobicContact CG2-CG 4.14Å; L202-V223 HydrophobicContact CD2-CB 4.43Å; L202-V223 HydrophobicContact CD2-CG1 3.97Å; L202-V223 HydrophobicContact CD2-CG2 4.07Å; L202-L307 HydrophobicContact CB-CD2 4.08Å; L202-L307 HydrophobicContact CD2-CD2 4.24Å; L202-V309 HydrophobicContact CD1-CG1 4.4Å; L202-V309 HydrophobicContact CD1-CG2 3.95Å; L202-V309 HydrophobicContact CD2-CG1 3.64Å; L202-V309 HydrophobicContact CD2-CG2 4.04Å; L202-V309 HydrophobicContact CG-CG2 4.48Å; L202-H315 HydrophobicContact CD1-CB 4.43Å; L202-I317 HydrophobicContact CB-CD1 3.6Å; L202-I317 HydrophobicContact CB-CG1 3.83Å; L202-I317 HydrophobicContact CB-CG2 4.11Å; L202-I317 HydrophobicContact CD1-CG1 4.3Å; L202-I317 HydrophobicContact CD1-CG2 4.37Å
203E98.5Very high87.7Confident31 Ų3152.5 Ų52.515%0.14527%0.27CS..EExtended strand (participates in β ladder)trans-141131.6177.2-176.4177.2142.300109.5H184 K185 K222H184-E203 WeakPolarHBondContact O-CA 3.4Å; K185-E203 HydrophobicContact CB-CB 4.41Å; K185-E203 HydrophobicContact CB-CG 4.22Å; K185-E203 WeakPolarHBondContact CE-OE2 3.39Å; K185-E203 HydrophobicContact CG-CB 4.28Å; K185-E203 HydrophobicContact CG-CG 4.4Å; K185-E203 IonicContact NZ-OE2 3.32Å; K185-E203 PolarHBondContact NZ-OE2 2.85Å; E203-K222 HydrophobicContact CB-CB 4.09Å; E203-K222 PolarHBondContact N-O 3.2Å; E203-K222 PolarHBondContact O-N 2.84Å
204L98.2Very high89.3Confident0 Ų048.7 Ų48.70%025%0.249CC..EExtended strand (participates in β ladder)trans-132.6125.8-176.6-177.672.4000108.2E183 H184 V219 V221 L236 L305 L307 I317 L319E183-L204 CarbonylContact C-O 3.44Å; E183-L204 VanDerWaalsContact CA-O 3.24Å; E183-L204 WeakPolarHBondContact CA-O 3.37Å; H184-L204 PolarHBondContact N-O 3.36Å; H184-L204 PolarHBondContact O-N 2.95Å; L204-V219 HydrophobicContact CD1-CG1 3.35Å; L204-V219 HydrophobicContact CG-CG1 4.3Å; L204-V221 HydrophobicContact CD1-CG2 4.06Å; L204-L236 HydrophobicContact CD1-CD1 3.55Å; L204-L305 HydrophobicContact CD1-CD2 4.07Å; L204-L305 HydrophobicContact CD1-CG 4.27Å; L204-L305 HydrophobicContact CD2-CB 4.35Å; L204-L305 HydrophobicContact CD2-CD2 4Å; L204-L305 HydrophobicContact CD2-CG 3.94Å; L204-L305 WeakPolarHBondContact CD2-O 3.27Å; L204-L305 HydrophobicContact CG-CD2 4.17Å; L204-L307 HydrophobicContact CD1-CB 4.43Å; L204-I317 HydrophobicContact CB-CD1 3.74Å; L204-I317 HydrophobicContact CB-CG1 4.45Å; L204-L319 HydrophobicContact CD2-CB 4.36Å; L204-L319 HydrophobicContact CD2-CD1 3.95Å; L204-L319 HydrophobicContact CD2-CG 3.95Å; L204-L319 HydrophobicContact CG-CD1 4.07Å
205Q98.3Very high90.8Very high56 Ų5647.8 Ų47.826%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-138.3138.5178-179.2-176.738.400110.9T182 E183 V219 R220T182-Q205 CarbonylContact O-C 3.55Å; T182-Q205 VanDerWaalsContact O-CA 3.32Å; T182-Q205 WeakPolarHBondContact O-CA 3.43Å; E183-Q205 HydrophobicContact CB-CB 4.41Å; E183-Q205 HydrophobicContact CB-CG 4.32Å; E183-Q205 HydrophobicContact CG-CB 4.17Å; E183-Q205 HydrophobicContact CG-CG 4.41Å; Q205-V219 CarbonylContact O-C 3.58Å; Q205-V219 WeakPolarHBondContact O-CG1 3.36Å; Q205-R220 HydrophobicContact CB-CB 4.14Å; Q205-R220 PolarHBondContact N-O 2.93Å; Q205-R220 PolarHBondContact O-N 2.83Å
206T97.4Very high92.6Very high8 Ų839.3 Ų39.35%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-132.5160.7174.8-175.50000110.2T182 S208 L319T182-T206 WeakPolarHBondContact CB-O 3.22Å; T182-T206 PolarHBondContact O-N 3.04Å; T206-S208 VanDerWaalsContact C-N 3.33Å; T206-S208 WeakPolarHBondContact CG2-O 3.48Å; T206-S208 PolarHBondContact OG1-O 3.03Å; T206-L319 HydrophobicContact CG2-CD1 4.14Å
207S94.4Very high94.1Very high116 Ų11632.2 Ų32.281%0.81119%0.191SC*.SBendtrans-76.8-20.8178.659.60000113.4
208S93.2Very high95.3Very high41 Ų4128.4 Ų28.429%0.28718%0.18SC..  trans-151.4146.2-175.11790000110.6T206 V210 F211T206-S208 VanDerWaalsContact C-N 3.33Å; T206-S208 WeakPolarHBondContact CG2-O 3.48Å; T206-S208 PolarHBondContact OG1-O 3.03Å; S208-V210 VanDerWaalsContact C-N 3.33Å; S208-V210 PolarHBondContact OG-N 3.01Å; S208-V210 PolarHBondContact OG-O 2.85Å; S208-F211 WeakPolarHBondContact O-CE1 3.16Å
209W93.2Very high96.1Very high28 Ų2828.1 Ų28.111%0.10618%0.178CC..SBendtrans-89.8-0.5169.151.6-91.4000112.7L174 L177 L180 T182 V321 Y322L174-W209 WeakPolarHBondContact O-CH2 2.98Å; L177-W209 HydrophobicContact CB-CH2 4.37Å; L180-W209 HydrophobicContact CB-CB 3.84Å; L180-W209 HydrophobicContact CB-CD2 4.13Å; L180-W209 HydrophobicContact CB-CE3 4.44Å; L180-W209 HydrophobicContact CB-CG 3.85Å; L180-W209 HydrophobicContact CD1-CB 4.43Å; L180-W209 HydrophobicContact CD1-CD2 4.44Å; L180-W209 HydrophobicContact CD1-CE3 3.93Å; L180-W209 HydrophobicContact CG-CD2 4.26Å; L180-W209 HydrophobicContact CG-CE3 4.09Å; L180-W209 HydrophobicContact CG-CG 4.46Å; T182-W209 HydrophobicContact CG2-CB 4.35Å; T182-W209 HydrophobicContact CG2-CG 4.48Å; W209-V321 CarbonylContact O-C 3.56Å; W209-V321 VanDerWaalsContact O-CA 3.31Å; W209-V321 WeakPolarHBondContact O-CA 3.48Å; W209-Y322 AromaticContact CE3-CD2 3.95Å; W209-Y322 HydrophobicContact CE3-CD2 3.95Å; W209-Y322 HydrophobicContact CE3-CE2 4.46Å; W209-Y322 AromaticContact CZ3-CD2 3.59Å; W209-Y322 HydrophobicContact CZ3-CD2 3.59Å; W209-Y322 AromaticContact CZ3-CE2 3.95Å; W209-Y322 HydrophobicContact CZ3-CE2 3.95Å; W209-Y322 PolarHBondContact O-N 3.16Å
210V94Very high96.4Very high17 Ų1732.7 Ų32.710%0.10319%0.193CC..EExtended strand (participates in β ladder)trans-111.5123.5171.4-179.20000109.1E171 L174 S208 Y322 A324E171-V210 HydrophobicContact CG-CG1 4.39Å; L174-V210 HydrophobicContact CB-CG1 4.28Å; L174-V210 HydrophobicContact CB-CG2 3.93Å; L174-V210 HydrophobicContact CD1-CG1 3.55Å; L174-V210 HydrophobicContact CD1-CG2 4.34Å; S208-V210 VanDerWaalsContact C-N 3.33Å; S208-V210 PolarHBondContact OG-N 3.01Å; S208-V210 PolarHBondContact OG-O 2.85Å; V210-Y322 WeakPolarHBondContact CA-O 3.27Å; V210-A324 HydrophobicContact CG1-CB 4.26Å
211F94.7Very high96.5Very high2 Ų232.6 Ų32.61%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-113.2149.5170.3-58.2-23.1000109.8S208 V217 F283 V285 L305 V321 Y322 L323 A324S208-F211 WeakPolarHBondContact O-CE1 3.16Å; F211-V217 HydrophobicContact CB-CG2 4.29Å; F211-V217 HydrophobicContact CD1-CG1 4.12Å; F211-V217 HydrophobicContact CD1-CG2 3.91Å; F211-V217 HydrophobicContact CD2-CG1 4.44Å; F211-V217 HydrophobicContact CD2-CG2 4.14Å; F211-V217 HydrophobicContact CE1-CG1 3.64Å; F211-V217 HydrophobicContact CE1-CG2 4.29Å; F211-V217 HydrophobicContact CE2-CG1 3.98Å; F211-V217 HydrophobicContact CE2-CG2 4.48Å; F211-V217 HydrophobicContact CG-CG2 3.86Å; F211-V217 HydrophobicContact CZ-CG1 3.56Å; F211-F283 HydrophobicContact CE2-CZ 4.19Å; F211-V285 HydrophobicContact CB-CG2 4.27Å; F211-L305 HydrophobicContact CZ-CD2 4.44Å; F211-V321 HydrophobicContact CD2-CB 4.34Å; F211-V321 HydrophobicContact CD2-CG2 4.22Å; F211-V321 HydrophobicContact CE2-CB 4.17Å; F211-V321 HydrophobicContact CE2-CG1 3.93Å; F211-V321 HydrophobicContact CE2-CG2 4.13Å; F211-V321 HydrophobicContact CZ-CG1 4.01Å; F211-Y322 PolarHBondContact N-O 2.98Å; F211-L323 HydrophobicContact CB-CD1 4.3Å; F211-L323 HydrophobicContact CD2-CD1 4.41Å; F211-L323 CarbonylContact O-C 3.53Å; F211-L323 VanDerWaalsContact O-CA 3.3Å; F211-L323 WeakPolarHBondContact O-CA 3.49Å; F211-A324 PolarHBondContact O-N 3.13Å
212T94.9Very high96.6Very high13 Ų1334.1 Ų34.18%0.0820%0.198CC..EExtended strand (participates in β ladder)trans-105.3138.6176.7-65.80000109.9E171 G214 Q215 K326E171-T212 PolarHBondContact OE1-OG1 2.8Å; T212-G214 PolarHBondContact O-N 2.9Å; T212-Q215 WeakPolarHBondContact O-CB 3.34Å; T212-Q215 PolarHBondContact O-N 3.36Å; T212-K326 HydrophobicContact CG2-CB 4.14Å; T212-K326 HydrophobicContact CG2-CG 4.5Å
213I95.7Very high96.6Very high17 Ų1734.1 Ų34.19%0.08720%0.198CC..THydrogen-bonded Turntrans-56.9130.2177.2-70.6162.6000109.8Q215 L289 L323 A324I213-Q215 VanDerWaalsContact C-N 3.31Å; I213-L289 WeakPolarHBondContact CD1-O 3.34Å; I213-L323 HydrophobicContact CG1-CD2 4.47Å; I213-A324 WeakPolarHBondContact CG1-O 3.43Å; I213-A324 PolarHBondContact N-O 2.68Å
214G96Very high96.5Very high30 Ų3033.5 Ų33.531%0.30920%0.196SC..THydrogen-bonded Turntrans83.9-6.3-173.800000115.4T212 V285 N287T212-G214 PolarHBondContact O-N 2.9Å; G214-V285 WeakPolarHBondContact CA-O 3.48Å; G214-V285 PolarHBondContact N-O 3.04Å; G214-N287 WeakPolarHBondContact CA-OD1 3.47Å
215Q95.3Very high96.4Very high71 Ų7133.5 Ų33.533%0.33220%0.196SC..  trans-69.3146.9179.8-175.4-176.1-3.200112T212 I213 V217 H284 V285T212-Q215 WeakPolarHBondContact O-CB 3.34Å; T212-Q215 PolarHBondContact O-N 3.36Å; I213-Q215 VanDerWaalsContact C-N 3.31Å; Q215-V217 HydrophobicContact CG-CG2 4.31Å; Q215-H284 WeakPolarHBondContact O-CA 3.28Å; Q215-V285 PolarHBondContact O-N 3.42Å
216A97.5Very high96.2Very high62 Ų6236.4 Ų36.451%0.51221%0.21SC..EExtended strand (participates in β ladder)trans-82.6121.3162.200000110
217V97.4Very high95.8Very high6 Ų636.2 Ų36.24%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-113.4136.5-178.2178.50000108.9F211 Q215 V219 S282 F283 V285F211-V217 HydrophobicContact CB-CG2 4.29Å; F211-V217 HydrophobicContact CD1-CG1 4.12Å; F211-V217 HydrophobicContact CD1-CG2 3.91Å; F211-V217 HydrophobicContact CD2-CG1 4.44Å; F211-V217 HydrophobicContact CD2-CG2 4.14Å; F211-V217 HydrophobicContact CE1-CG1 3.64Å; F211-V217 HydrophobicContact CE1-CG2 4.29Å; F211-V217 HydrophobicContact CE2-CG1 3.98Å; F211-V217 HydrophobicContact CE2-CG2 4.48Å; F211-V217 HydrophobicContact CG-CG2 3.86Å; F211-V217 HydrophobicContact CZ-CG1 3.56Å; Q215-V217 HydrophobicContact CG-CG2 4.31Å; V217-V219 HydrophobicContact CG1-CG2 3.93Å; V217-S282 CarbonylContact O-C 3.59Å; V217-S282 VanDerWaalsContact O-CA 3.24Å; V217-S282 WeakPolarHBondContact O-CA 3.44Å; V217-F283 HydrophobicContact CB-CD2 4.18Å; V217-F283 HydrophobicContact CB-CE1 4.36Å; V217-F283 HydrophobicContact CB-CE2 3.71Å; V217-F283 HydrophobicContact CB-CZ 3.82Å; V217-F283 HydrophobicContact CG1-CE1 4.19Å; V217-F283 HydrophobicContact CG1-CE2 4.16Å; V217-F283 HydrophobicContact CG1-CZ 3.74Å; V217-F283 HydrophobicContact CG2-CE2 4.06Å; V217-F283 HydrophobicContact CG2-CZ 4.45Å; V217-F283 PolarHBondContact N-O 2.98Å; V217-F283 PolarHBondContact O-N 3.34Å; V217-V285 HydrophobicContact CG2-CG2 3.84Å
218S97.9Very high95.5Very high53 Ų5334 Ų3437%0.37119%0.185SC..EExtended strand (participates in β ladder)trans-113.5134.3171-171.10000109.7
219V98.4Very high95.2Very high0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-130.9123.2-175.9177.40000108.7L204 Q205 V217 V221 L236 V281 F283 L305L204-V219 HydrophobicContact CD1-CG1 3.35Å; L204-V219 HydrophobicContact CG-CG1 4.3Å; Q205-V219 CarbonylContact O-C 3.58Å; Q205-V219 WeakPolarHBondContact O-CG1 3.36Å; V217-V219 HydrophobicContact CG1-CG2 3.93Å; V219-V221 HydrophobicContact CG1-CG2 4.07Å; V219-V221 PolarHBondContact O-N 3.41Å; V219-L236 HydrophobicContact CB-CD2 3.89Å; V219-L236 HydrophobicContact CG1-CD1 4.1Å; V219-L236 HydrophobicContact CG1-CD2 4.09Å; V219-L236 HydrophobicContact CG2-CD2 4.26Å; V219-V281 PolarHBondContact N-O 2.91Å; V219-V281 PolarHBondContact O-N 2.88Å; V219-F283 HydrophobicContact CG2-CE1 3.77Å; V219-F283 HydrophobicContact CG2-CZ 4.37Å; V219-L305 HydrophobicContact CB-CD2 4.38Å; V219-L305 HydrophobicContact CG1-CD2 3.75Å; V219-L305 HydrophobicContact CG2-CD1 4.15Å; V219-L305 HydrophobicContact CG2-CD2 3.66Å
220R98.6Very high95.1Very high116 Ų11642.5 Ų42.544%0.43822%0.216SC..EExtended strand (participates in β ladder)trans-76126.1170.8-178.5167.8-65172.6-2.7109.7Q205 D280Q205-R220 HydrophobicContact CB-CB 4.14Å; Q205-R220 PolarHBondContact N-O 2.93Å; Q205-R220 PolarHBondContact O-N 2.83Å; R220-D280 WeakPolarHBondContact CA-OD1 3.49Å; R220-D280 VanDerWaalsContact CB-OD1 3.29Å; R220-D280 WeakPolarHBondContact CB-OD1 3.39Å; R220-D280 IonicContact CZ-OD1 3.4Å; R220-D280 IonicContact NE-OD1 2.79Å; R220-D280 PolarHBondContact NE-OD1 2.93Å; R220-D280 IonicContact NH2-OD1 2.81Å; R220-D280 IonicContact NH2-OD2 3.56Å
221V98.5Very high95.1Very high0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-120.5137.5176.6173.40000108.7L204 V219 V223 L236 L268 Y277 S278 D279 V281 L307L204-V221 HydrophobicContact CD1-CG2 4.06Å; V219-V221 HydrophobicContact CG1-CG2 4.07Å; V219-V221 PolarHBondContact O-N 3.41Å; V221-V223 HydrophobicContact CG1-CG2 4.04Å; V221-L236 HydrophobicContact CG2-CD1 4.08Å; V221-L236 HydrophobicContact CG2-CD2 4.29Å; V221-L268 HydrophobicContact CB-CD1 4.45Å; V221-L268 HydrophobicContact CG1-CD1 3.7Å; V221-Y277 HydrophobicContact CG1-CE1 4.43Å; V221-S278 VanDerWaalsContact O-CA 3.28Å; V221-S278 WeakPolarHBondContact O-CA 3.28Å; V221-D279 PolarHBondContact N-O 2.87Å; V221-D279 PolarHBondContact O-N 2.85Å; V221-V281 HydrophobicContact CB-CG2 4.25Å; V221-V281 HydrophobicContact CG2-CG2 4.08Å; V221-L307 HydrophobicContact CG1-CD1 3.68Å; V221-L307 HydrophobicContact CG1-CD2 3.68Å; V221-L307 HydrophobicContact CG1-CG 4.33Å
222K98.4Very high95Very high49 Ų4944.6 Ų44.621%0.21324%0.236CC..EExtended strand (participates in β ladder)trans-133.2134.3165.2172169.5-178.5147.70110.9E203 V224 E276 Y277E203-K222 HydrophobicContact CB-CB 4.09Å; E203-K222 PolarHBondContact N-O 3.2Å; E203-K222 PolarHBondContact O-N 2.84Å; K222-V224 HydrophobicContact CD-CG2 4.43Å; K222-V224 HydrophobicContact CG-CG2 4.22Å; K222-E276 VanDerWaalsContact CE-OE2 3.25Å; K222-E276 WeakPolarHBondContact CE-OE2 3.26Å; K222-E276 VanDerWaalsContact NZ-CD 3.28Å; K222-E276 IonicContact NZ-OE1 2.95Å; K222-E276 PolarHBondContact NZ-OE1 2.95Å; K222-E276 VanDerWaalsContact NZ-OE1 3.13Å; K222-E276 IonicContact NZ-OE2 3.86Å; K222-E276 PolarHBondContact NZ-OE2 2.77Å; K222-Y277 CarbonylContact C-O 3.33Å; K222-Y277 VanDerWaalsContact CA-O 3.28Å; K222-Y277 WeakPolarHBondContact CA-O 3.38Å
223V98.1Very high95Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-131.4119.1179.4-179.90000107.9V201 L202 V221 L231 V271 E276 Y277 L307 V309V201-V223 WeakPolarHBondContact O-CA 3.44Å; L202-V223 HydrophobicContact CD2-CB 4.43Å; L202-V223 HydrophobicContact CD2-CG1 3.97Å; L202-V223 HydrophobicContact CD2-CG2 4.07Å; V221-V223 HydrophobicContact CG1-CG2 4.04Å; V223-L231 HydrophobicContact CG1-CD1 3.67Å; V223-V271 HydrophobicContact CB-CG2 4.23Å; V223-V271 HydrophobicContact CG1-CB 4.49Å; V223-V271 HydrophobicContact CG1-CG2 3.98Å; V223-E276 CarbonylContact O-C 3.53Å; V223-E276 WeakPolarHBondContact O-CA 3.12Å; V223-E276 WeakPolarHBondContact O-CB 3.18Å; V223-Y277 PolarHBondContact N-O 2.82Å; V223-Y277 PolarHBondContact O-N 3.13Å; V223-L307 HydrophobicContact CG2-CD1 4.32Å; V223-L307 HydrophobicContact CG2-CD2 4Å; V223-V309 HydrophobicContact CG1-CG1 4.34Å
224V97.3Very high95Very high19 Ų1947.6 Ų47.612%0.11525%0.245CC..EExtended strand (participates in β ladder)trans-111.9118.1175.5-172.30000108.1I200 V201 K222 Q226 E276I200-V224 WeakPolarHBondContact CA-O 3.24Å; V201-V224 HydrophobicContact CB-CB 4.01Å; V201-V224 HydrophobicContact CB-CG2 4.26Å; V201-V224 HydrophobicContact CG2-CB 4.41Å; V201-V224 PolarHBondContact N-O 2.89Å; V201-V224 PolarHBondContact O-N 3.42Å; K222-V224 HydrophobicContact CD-CG2 4.43Å; K222-V224 HydrophobicContact CG-CG2 4.22Å; V224-Q226 HydrophobicContact CG1-CG 4.01Å; V224-E276 HydrophobicContact CB-CB 4.4Å; V224-E276 HydrophobicContact CG1-CB 4.37Å; V224-E276 HydrophobicContact CG2-CB 4.06Å
225N95.6Very high95.1Very high0 Ų046.3 Ų46.30%023%0.232CC..EExtended strand (participates in β ladder)trans-104.386179.7-177.812.5000110.5S227 R229 L231 V271 T272 G274 D275N225-S227 PolarHBondContact O-N 2.88Å; N225-S227 VanDerWaalsContact OD1-CB 3.27Å; N225-S227 WeakPolarHBondContact OD1-CB 3.33Å; N225-S227 PolarHBondContact OD1-N 2.89Å; N225-S227 PolarHBondContact OD1-OG 2.92Å; N225-R229 PolarHBondContact ND2-O 2.69Å; N225-R229 PolarHBondContact OD1-O 3.33Å; N225-L231 HydrophobicContact CB-CD2 4.38Å; N225-L231 HydrophobicContact CB-CG 4.32Å; N225-V271 HydrophobicContact CB-CB 4.27Å; N225-V271 HydrophobicContact CB-CG1 3.73Å; N225-V271 PolarHBondContact ND2-O 3.04Å; N225-T272 PolarHBondContact ND2-O 3.4Å; N225-G274 WeakPolarHBondContact O-CA 3.38Å; N225-G274 PolarHBondContact O-N 2.81Å; N225-D275 PolarHBondContact N-O 2.7Å
226Q93.2Very high95.3Very high116 Ų11643 Ų4354%0.54222%0.216SC..  trans-87.813.6173.5-76.5174.55.200112.9V199 V224V199-Q226 HydrophobicContact CB-CB 3.88Å; V199-Q226 HydrophobicContact CG1-CB 4.44Å; V199-Q226 CarbonylContact O-C 3.57Å; V199-Q226 WeakPolarHBondContact O-CA 3.12Å; V199-Q226 WeakPolarHBondContact O-CB 3.18Å; V199-Q226 PolarHBondContact O-N 2.89Å; V224-Q226 HydrophobicContact CG1-CG 4.01Å
227S90.1Very high95.3Very high4 Ų440.2 Ų40.23%0.02819%0.193CC..SBendtrans-78.8171.6173.384.90000111.6V199 N225 R229 S273 N311V199-S227 PolarHBondContact O-N 2.83Å; N225-S227 PolarHBondContact O-N 2.88Å; N225-S227 VanDerWaalsContact OD1-CB 3.27Å; N225-S227 WeakPolarHBondContact OD1-CB 3.33Å; N225-S227 PolarHBondContact OD1-N 2.89Å; N225-S227 PolarHBondContact OD1-OG 2.92Å; S227-R229 VanDerWaalsContact C-N 3.27Å; S227-R229 PolarHBondContact O-N 2.89Å; S227-R229 PolarHBondContact OG-N 3.12Å; S227-R229 VanDerWaalsContact OG-N 3.13Å; S227-R229 PolarHBondContact OG-O 3.12Å; S227-S273 WeakPolarHBondContact O-CB 3.34Å; S227-S273 PolarHBondContact O-OG 2.81Å; S227-N311 VanDerWaalsContact CB-ND2 3.26Å; S227-N311 WeakPolarHBondContact CB-ND2 3.27Å; S227-N311 PolarHBondContact OG-ND2 2.48Å
228H87.6Confident95.4Very high70 Ų7040 Ų4032%0.32419%0.191SC..SBendtrans-83.64.8173.967.6-80.9000114.3N198N198-H228 PolarHBondContact OD1-CE1 2.83Å; N198-H228 PolarHBondContact OD1-ND1 2.89Å
229R87.9Confident95.4Very high121 Ų12137.4 Ų37.446%0.45717%0.173SC..SBendtrans-128.9144.6-173.2-65.8-177.2-172.3-167.3-0.8109.8N225 S227 N311N225-R229 PolarHBondContact ND2-O 2.69Å; N225-R229 PolarHBondContact OD1-O 3.33Å; S227-R229 VanDerWaalsContact C-N 3.27Å; S227-R229 PolarHBondContact O-N 2.89Å; S227-R229 PolarHBondContact OG-N 3.12Å; S227-R229 VanDerWaalsContact OG-N 3.13Å; S227-R229 PolarHBondContact OG-O 3.12Å; R229-N311 WeakPolarHBondContact CB-OD1 3.34Å
230Q90.6Very high95.4Very high126 Ų12639.5 Ų39.559%0.58918%0.181SC*.  trans-65.3146.7167.572.7-178.342.100110.2A232 T272 N311Q230-A232 PolarHBondContact O-N 3.26Å; Q230-T272 HydrophobicContact CB-CG2 4.34Å; Q230-N311 PolarHBondContact O-OD1 2.85Å
231L93.2Very high95.4Very high0 Ų035 Ų350%017%0.165CC..  trans-63.6135.9169.6-56.8-172.9000109.4I200 V223 N225 C234 V271 V309 N311I200-L231 HydrophobicContact CD1-CD2 4.02Å; V223-L231 HydrophobicContact CG1-CD1 3.67Å; N225-L231 HydrophobicContact CB-CD2 4.38Å; N225-L231 HydrophobicContact CB-CG 4.32Å; L231-C234 HydrophobicContact CD1-CB 4.36Å; L231-V271 HydrophobicContact CD1-CB 3.77Å; L231-V271 HydrophobicContact CD1-CG2 4.01Å; L231-V271 HydrophobicContact CG-CB 4.15Å; L231-V271 PolarHBondContact N-O 2.92Å; L231-V271 VanDerWaalsContact N-O 3.09Å; L231-V309 HydrophobicContact CD1-CB 4.32Å; L231-V309 HydrophobicContact CD1-CG1 4.12Å; L231-N311 HydrophobicContact CD2-CB 3.71Å
232A92.8Very high95.4Very high63 Ų6335 Ų3552%0.52117%0.165SC..SBendtrans-73.8-35.2176.400000111.6Q230 K310Q230-A232 PolarHBondContact O-N 3.26Å; A232-K310 HydrophobicContact CB-CB 4.42Å; A232-K310 HydrophobicContact CB-CG 4.45Å; A232-K310 WeakPolarHBondContact CB-O 3.38Å; A232-K310 PolarHBondContact N-O 2.62Å
233W95Very high95.4Very high91 Ų9135.8 Ų35.835%0.34517%0.17SC..EExtended strand (participates in β ladder)trans-163.9158.5169.859.7-95.2000109.8R308 V309 K310 F314W233-R308 HydrophobicContact CH2-CB 3.63Å; W233-R308 HydrophobicContact CZ3-CB 3.54Å; W233-V309 WeakPolarHBondContact O-CA 3.33Å; W233-K310 HydrophobicContact CD2-CB 4.17Å; W233-K310 HydrophobicContact CG-CB 4.22Å; W233-K310 HydrophobicContact CZ2-CB 4.14Å; W233-K310 VanDerWaalsContact NE1-CB 3.29Å; W233-K310 VanDerWaalsContact NE1-CD 3.29Å; W233-K310 PolarHBondContact O-N 2.95Å; W233-F314 HydrophobicContact CH2-CD2 4.35Å; W233-F314 AromaticContact CH2-CE2 3.8Å; W233-F314 HydrophobicContact CH2-CE2 3.8Å; W233-F314 HydrophobicContact CZ2-CD2 4.11Å; W233-F314 AromaticContact CZ2-CE2 3.97Å; W233-F314 HydrophobicContact CZ2-CE2 3.97Å
234C96.6Very high95.4Very high2 Ų235.8 Ų35.81%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-144.9129.6176178.70000108.3L231 L268 R308 V309L231-C234 HydrophobicContact CD1-CB 4.36Å; C234-L268 HydrophobicContact CB-CB 4.25Å; C234-L268 WeakPolarHBondContact O-CB 3.38Å; C234-L268 PolarHBondContact O-N 2.85Å; C234-R308 WeakPolarHBondContact CA-O 3.32Å; C234-V309 HydrophobicContact CB-CG1 4.03Å; C234-V309 VanDerWaalsContact SG-CG1 3.58Å
235S98.1Very high95.4Very high4 Ų439.1 Ų39.13%0.02818%0.183CC..EExtended strand (participates in β ladder)trans-144.4144-178-46.20000111.5L237 V266 D267 R308S235-L237 WeakPolarHBondContact O-CD1 3.44Å; S235-V266 CarbonylContact C-O 3.53Å; S235-V266 VanDerWaalsContact CA-O 3.28Å; S235-V266 WeakPolarHBondContact CA-O 3.12Å; S235-D267 PolarHBondContact OG-OD1 3.18Å; S235-R308 PolarHBondContact N-O 3.24Å; S235-R308 PolarHBondContact O-N 3.37Å
236L98.6Very high95.6Very high1 Ų139.3 Ų39.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-92.6132.8166178.470.1000108.9L204 V219 V221 V266 L268 V281 F283 L305 M306L204-L236 HydrophobicContact CD1-CD1 3.55Å; V219-L236 HydrophobicContact CB-CD2 3.89Å; V219-L236 HydrophobicContact CG1-CD1 4.1Å; V219-L236 HydrophobicContact CG1-CD2 4.09Å; V219-L236 HydrophobicContact CG2-CD2 4.26Å; V221-L236 HydrophobicContact CG2-CD1 4.08Å; V221-L236 HydrophobicContact CG2-CD2 4.29Å; L236-V266 HydrophobicContact CB-CB 4.45Å; L236-V266 PolarHBondContact N-O 2.95Å; L236-V266 PolarHBondContact O-N 2.88Å; L236-L268 HydrophobicContact CB-CD1 4.47Å; L236-V281 HydrophobicContact CD2-CB 3.88Å; L236-V281 HydrophobicContact CD2-CG1 3.72Å; L236-F283 HydrophobicContact CD2-CD1 4.19Å; L236-F283 HydrophobicContact CD2-CE1 4.1Å; L236-L305 HydrophobicContact CD1-CD1 3.88Å; L236-L305 HydrophobicContact CD1-CG 4.15Å; L236-L305 HydrophobicContact CG-CD1 4.31Å; L236-M306 CarbonylContact C-O 3.52Å; L236-M306 WeakPolarHBondContact CA-O 3.32Å
237L98.5Very high95.8Very high4 Ų439.5 Ų39.52%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-131.5142.4-176.5-48.398.2000111.6S235 V239 D262 I264 C265 L305 M306 R308S235-L237 WeakPolarHBondContact O-CD1 3.44Å; L237-V239 HydrophobicContact CB-CG2 3.79Å; L237-D262 HydrophobicContact CD2-CB 3.92Å; L237-D262 VanDerWaalsContact CD2-CG 3.44Å; L237-D262 VanDerWaalsContact CD2-OD2 3.28Å; L237-D262 WeakPolarHBondContact CD2-OD2 3.28Å; L237-I264 VanDerWaalsContact CA-O 3.28Å; L237-I264 WeakPolarHBondContact CA-O 3.3Å; L237-C265 HydrophobicContact CD2-CB 4.49Å; L237-L305 CarbonylContact O-C 3.49Å; L237-L305 WeakPolarHBondContact O-CA 3.28Å; L237-M306 PolarHBondContact N-O 2.86Å; L237-M306 PolarHBondContact O-N 2.89Å; L237-R308 HydrophobicContact CD1-CB 3.82Å; L237-R308 VanDerWaalsContact CD1-CD 3.5Å; L237-R308 HydrophobicContact CD1-CG 3.56Å
238L98.6Very high96Very high0 Ų039.9 Ų39.90%019%0.189CC..EExtended strand (participates in β ladder)trans-100.6122.4156.7-177.765000107.2V263 I264 F283 L289 Y303 V321L238-V263 HydrophobicContact CB-CG2 4.04Å; L238-V263 HydrophobicContact CD2-CG2 3.95Å; L238-V263 HydrophobicContact CG-CG2 3.78Å; L238-V263 WeakPolarHBondContact O-CG2 3.04Å; L238-V263 PolarHBondContact O-N 3.29Å; L238-I264 HydrophobicContact CB-CB 3.88Å; L238-I264 HydrophobicContact CB-CD1 3.96Å; L238-I264 HydrophobicContact CB-CG1 4.04Å; L238-I264 HydrophobicContact CD2-CD1 3.81Å; L238-I264 HydrophobicContact CD2-CG1 4.36Å; L238-I264 PolarHBondContact N-O 2.63Å; L238-I264 VanDerWaalsContact N-O 3.14Å; L238-I264 PolarHBondContact O-N 3.07Å; L238-F283 HydrophobicContact CD2-CE2 4.45Å; L238-L289 HydrophobicContact CD2-CD1 4.44Å; L238-Y303 HydrophobicContact CD1-CD1 4.38Å; L238-Y303 HydrophobicContact CG-CD1 4.32Å; L238-V321 HydrophobicContact CD1-CG2 3.73Å
239V98.6Very high96.3Very high0 Ų042.8 Ų42.80%020%0.197CC..EExtended strand (participates in β ladder)trans-119.5123.2-174.8179.70000110.2L237 Q241 C260 T261 D262 Y303 K304 M306L237-V239 HydrophobicContact CB-CG2 3.79Å; V239-Q241 HydrophobicContact CG1-CG 4.38Å; V239-C260 HydrophobicContact CG1-CB 4Å; V239-T261 CarbonylContact C-O 3.52Å; V239-T261 WeakPolarHBondContact CA-O 3.36Å; V239-D262 HydrophobicContact CG2-CB 4.41Å; V239-D262 WeakPolarHBondContact CG2-OD1 3.48Å; V239-Y303 CarbonylContact O-C 3.59Å; V239-Y303 VanDerWaalsContact O-CA 3.3Å; V239-Y303 WeakPolarHBondContact O-CA 3.48Å; V239-K304 PolarHBondContact N-O 2.83Å; V239-K304 PolarHBondContact O-N 3.23Å; V239-M306 HydrophobicContact CB-CE 3.41Å; V239-M306 VanDerWaalsContact CB-CE 3.41Å; V239-M306 HydrophobicContact CG1-CE 3.82Å; V239-M306 HydrophobicContact CG2-CE 3.05Å
240R98.5Very high96.5Very high44 Ų4445.1 Ų45.117%0.16621%0.207CC..EExtended strand (participates in β ladder)trans-80.8129.3169.7-173.3178.566-176.3-2.3109.1V242 C260 T261 V263 V301 Y303R240-V242 HydrophobicContact CG-CG2 4.2Å; R240-C260 CarbonylContact O-C 3.5Å; R240-C260 VanDerWaalsContact O-CA 3.28Å; R240-C260 WeakPolarHBondContact O-CA 3.32Å; R240-T261 PolarHBondContact N-O 2.76Å; R240-T261 PolarHBondContact O-N 3.24Å; R240-V263 HydrophobicContact CB-CG1 3.83Å; R240-V301 HydrophobicContact CG-CG1 3.71Å; R240-Y303 HydrophobicContact CB-CD1 3.97Å; R240-Y303 HydrophobicContact CB-CE1 3.51Å; R240-Y303 WeakPolarHBondContact CD-OH 3.36Å; R240-Y303 HydrophobicContact CG-CD1 4.33Å; R240-Y303 HydrophobicContact CG-CE1 3.67Å; R240-Y303 HydrophobicContact CG-CE2 4.36Å
241Q98.2Very high96.5Very high22 Ų2243.6 Ų43.610%0.10320%0.2CC..EExtended strand (participates in β ladder)trans-115.4114.6175.3-59.1-171.1-46.100108.5V239 Q258 A302V239-Q241 HydrophobicContact CG1-CG 4.38Å; Q241-Q258 HydrophobicContact CB-CG 4.47Å; Q241-A302 PolarHBondContact N-O 3.44Å; Q241-A302 PolarHBondContact O-N 2.91Å
242V98.5Very high96.5Very high0 Ų051.5 Ų51.50%024%0.242CC..EExtended strand (participates in β ladder)trans-104.3121.1174.6-165.30000108.4I136 T138 R240 F244 Q258 F259 V299 S300 V301I136-V242 HydrophobicContact CD1-CB 4.38Å; I136-V242 HydrophobicContact CD1-CG1 3.99Å; I136-V242 HydrophobicContact CD1-CG2 3.44Å; I136-V242 VanDerWaalsContact CD1-CG2 3.44Å; T138-V242 HydrophobicContact CG2-CB 4.49Å; T138-V242 HydrophobicContact CG2-CG2 4.41Å; R240-V242 HydrophobicContact CG-CG2 4.2Å; V242-F244 HydrophobicContact CB-CE2 3.73Å; V242-F244 HydrophobicContact CB-CZ 4.04Å; V242-F244 HydrophobicContact CG1-CD2 4.34Å; V242-F244 HydrophobicContact CG1-CE1 4.2Å; V242-F244 HydrophobicContact CG1-CE2 3.43Å; V242-F244 VanDerWaalsContact CG1-CE2 3.43Å; V242-F244 HydrophobicContact CG1-CZ 3.31Å; V242-Q258 CarbonylContact O-C 3.57Å; V242-Q258 VanDerWaalsContact O-CA 3.31Å; V242-Q258 WeakPolarHBondContact O-CA 3.41Å; V242-F259 HydrophobicContact CB-CB 4.45Å; V242-F259 PolarHBondContact N-O 3.22Å; V242-F259 PolarHBondContact O-N 3.32Å; V242-V299 HydrophobicContact CG1-CG1 3.75Å; V242-S300 CarbonylContact C-O 3.52Å; V242-S300 VanDerWaalsContact CA-O 3.29Å; V242-S300 WeakPolarHBondContact CA-O 3.49Å; V242-V301 HydrophobicContact CG1-CG2 4.4Å
243Q98.2Very high96.7Very high65 Ų6551.2 Ų51.230%0.30423%0.234SC..EExtended strand (participates in β ladder)trans-103.9140.6178.3-68.5-178.3-27.400110.1R257 Q258 V299 S300Q243-R257 CarbonylContact C-O 3.53Å; Q243-R257 WeakPolarHBondContact CA-O 3.24Å; Q243-Q258 HydrophobicContact CG-CG 4.15Å; Q243-V299 VanDerWaalsContact O-CA 3.31Å; Q243-V299 WeakPolarHBondContact O-CA 3.21Å; Q243-S300 PolarHBondContact N-O 3.47Å; Q243-S300 PolarHBondContact O-N 3.05Å
244F98.4Very high96.7Very high0 Ų050.5 Ų50.50%025%0.247CC..EExtended strand (participates in β ladder)trans-129.1122.5-178.3-60-94.6000108.3A86 W88 T138 F140 V242 C256 R257 F259 V299A86-F244 HydrophobicContact CB-CB 4.04Å; A86-F244 HydrophobicContact CB-CD1 4.36Å; W88-F244 HydrophobicContact CH2-CB 4.18Å; W88-F244 WeakPolarHBondContact CH2-O 3.31Å; W88-F244 HydrophobicContact CZ3-CB 3.72Å; T138-F244 HydrophobicContact CG2-CE2 4.12Å; T138-F244 HydrophobicContact CG2-CZ 3.63Å; T138-F244 VanDerWaalsContact OG1-CE2 3.32Å; T138-F244 WeakPolarHBondContact OG1-CE2 3.35Å; T138-F244 WeakPolarHBondContact OG1-CZ 3.36Å; F140-F244 HydrophobicContact CB-CB 4.42Å; F140-F244 HydrophobicContact CB-CD1 4.22Å; F140-F244 HydrophobicContact CB-CD2 3.77Å; F140-F244 HydrophobicContact CB-CE2 4.08Å; F140-F244 HydrophobicContact CB-CG 3.87Å; F140-F244 HydrophobicContact CB-CZ 4.49Å; F140-F244 HydrophobicContact CD2-CD2 4.34Å; F140-F244 HydrophobicContact CD2-CE2 4.48Å; V242-F244 HydrophobicContact CB-CE2 3.73Å; V242-F244 HydrophobicContact CB-CZ 4.04Å; V242-F244 HydrophobicContact CG1-CD2 4.34Å; V242-F244 HydrophobicContact CG1-CE1 4.2Å; V242-F244 HydrophobicContact CG1-CE2 3.43Å; V242-F244 VanDerWaalsContact CG1-CE2 3.43Å; V242-F244 HydrophobicContact CG1-CZ 3.31Å; F244-C256 CarbonylContact O-C 3.49Å; F244-C256 VanDerWaalsContact O-CA 3.27Å; F244-C256 WeakPolarHBondContact O-CA 3.12Å; F244-R257 PolarHBondContact N-O 3.48Å; F244-R257 PolarHBondContact O-N 2.92Å; F244-F259 HydrophobicContact CE2-CB 4.18Å; F244-V299 HydrophobicContact CD1-CB 4.3Å; F244-V299 HydrophobicContact CD1-CG1 3.91Å; F244-V299 HydrophobicContact CD1-CG2 3.57Å; F244-V299 HydrophobicContact CE1-CB 4.28Å; F244-V299 HydrophobicContact CE1-CG1 3.48Å; F244-V299 VanDerWaalsContact CE1-CG1 3.48Å; F244-V299 HydrophobicContact CE1-CG2 3.79Å; F244-V299 HydrophobicContact CZ-CG1 3.97Å
245H97.9Very high96.7Very high88 Ų8852.6 Ų52.641%0.40726%0.258SS..EExtended strand (participates in β ladder)trans-105.4131.2175.5-64.8-92.2000109.3A86 L298A86-H245 VanDerWaalsContact CB-O 3.22Å; A86-H245 WeakPolarHBondContact CB-O 3.44Å; H245-L298 PolarHBondContact N-O 2.96Å; H245-L298 WeakPolarHBondContact O-CD1 3.25Å; H245-L298 WeakPolarHBondContact O-CG 3.35Å
246A98Very high96.6Very high4 Ų455.2 Ų55.23%0.03328%0.276CS..EExtended strand (participates in β ladder)trans-145.8146.1176.200000112A86 W88 F97 T99 A254 D255A86-A246 HydrophobicContact CB-CB 3.98Å; W88-A246 HydrophobicContact CH2-CB 3.41Å; W88-A246 VanDerWaalsContact CH2-CB 3.41Å; W88-A246 HydrophobicContact CZ2-CB 3.9Å; W88-A246 HydrophobicContact CZ3-CB 3.79Å; F97-A246 HydrophobicContact CB-CB 3.85Å; T99-A246 WeakPolarHBondContact OG1-CA 3.26Å; A246-A254 CarbonylContact O-C 3.55Å; A246-A254 WeakPolarHBondContact O-CA 3.49Å; A246-D255 PolarHBondContact N-O 2.91Å; A246-D255 PolarHBondContact O-N 2.79Å
247Q97.1Very high96.6Very high120 Ų12059.3 Ų59.356%0.56129%0.291SS*.EExtended strand (participates in β ladder)trans-90.2147169.8-65.8-179.6-14.300110.4F97 D98 T99 A254F97-Q247 WeakPolarHBondContact CA-O 3.29Å; D98-Q247 PolarHBondContact N-O 3.14Å; D98-Q247 VanDerWaalsContact N-O 3.16Å; T99-Q247 PolarHBondContact OG1-N 3.43Å; Q247-A254 HydrophobicContact CG-CB 4.49Å
248S96.3Very high96.5Very high12 Ų1263 Ų638%0.08431%0.308CS..BIsolated β-bridgetrans-64.7140169.9171.30000110I96 Y250 E251 V253I96-S248 WeakPolarHBondContact O-CA 3.39Å; S248-Y250 PolarHBondContact O-N 3.1Å; S248-Y250 PolarHBondContact OG-N 2.86Å; S248-E251 WeakPolarHBondContact CB-O 3.48Å; S248-E251 PolarHBondContact OG-N 2.83Å; S248-V253 WeakPolarHBondContact CB-O 3.48Å; S248-V253 PolarHBondContact N-O 2.87Å
249R93.7Very high96.5Very high131 Ų13165.8 Ų65.849%0.49432%0.32SS..SBendtrans-68.5-21.8178.2-66.6-169.3-165.4-161.16.2114.2I96 D98I96-R249 HydrophobicContact CG2-CG 4.31Å; I96-R249 PolarHBondContact O-N 2.8Å; D98-R249 HydrophobicContact CB-CG 4.04Å; D98-R249 IonicContact OD2-CZ 3.76Å; D98-R249 IonicContact OD2-NE 3.76Å; D98-R249 PolarHBondContact OD2-NE 2.78Å; D98-R249 IonicContact OD2-NH1 3.98Å; D98-R249 IonicContact OD2-NH2 2.66Å; D98-R249 PolarHBondContact OD2-NH2 2.88Å
250Y91.8Very high96.4Very high170 Ų17068.7 Ų68.767%0.66734%0.34SS*.SBendtrans-122.3-11.8-167.1-52.9-66.4000113.5I96 S248I96-Y250 HydrophobicContact CB-CE2 4.27Å; I96-Y250 HydrophobicContact CD1-CE2 4.09Å; I96-Y250 HydrophobicContact CG1-CE2 4.3Å; S248-Y250 PolarHBondContact O-N 3.1Å; S248-Y250 PolarHBondContact OG-N 2.86Å
251E91.1Very high96.4Very high95 Ų9568.6 Ų68.644%0.44434%0.344SS..SBendtrans-139.4152.9-174.1-63.6178.1-151.800109.6K95 S248 V253K95-E251 WeakPolarHBondContact CE-OE1 3.03Å; K95-E251 WeakPolarHBondContact CE-OE2 3.24Å; K95-E251 IonicContact NZ-OE1 3.18Å; K95-E251 IonicContact NZ-OE2 3.76Å; K95-E251 PolarHBondContact NZ-OE2 2.87Å; S248-E251 WeakPolarHBondContact CB-O 3.48Å; S248-E251 PolarHBondContact OG-N 2.83Å; E251-V253 HydrophobicContact CB-CG2 4.17Å; E251-V253 PolarHBondContact O-N 3.03Å
252D93.1Very high96.4Very high165 Ų16571.3 Ų71.388%0.88236%0.359SS*.SBendtrans-79.766.1174-168.420.4000110.6
253V95.4Very high96.4Very high58 Ų5872.9 Ų72.935%0.35237%0.369SS..  trans-136.9129.1-179.4179.10000108.7S248 E251S248-V253 WeakPolarHBondContact CB-O 3.48Å; S248-V253 PolarHBondContact N-O 2.87Å; E251-V253 HydrophobicContact CB-CG2 4.17Å; E251-V253 PolarHBondContact O-N 3.03Å
254A95.6Very high96.4Very high75 Ų7570.8 Ų70.862%0.6236%0.36SS*.EExtended strand (participates in β ladder)trans-100.6152.9171.100000111.3A246 Q247A246-A254 CarbonylContact O-C 3.55Å; A246-A254 WeakPolarHBondContact O-CA 3.49Å; Q247-A254 HydrophobicContact CG-CB 4.49Å
255D96.6Very high96.4Very high47 Ų4774.2 Ų74.225%0.25138%0.383SS..EExtended strand (participates in β ladder)trans-134.3156.5171.8-174.624.7000109.1W88 F97 A246 R257W88-D255 HydrophobicContact CZ2-CB 3.83Å; W88-D255 PolarHBondContact NE1-OD2 3.39Å; F97-D255 HydrophobicContact CD1-CB 3.64Å; F97-D255 HydrophobicContact CD2-CB 4.31Å; F97-D255 HydrophobicContact CE1-CB 3.31Å; F97-D255 HydrophobicContact CE2-CB 4.02Å; F97-D255 HydrophobicContact CG-CB 4.13Å; F97-D255 HydrophobicContact CZ-CB 3.51Å; A246-D255 PolarHBondContact N-O 2.91Å; A246-D255 PolarHBondContact O-N 2.79Å; D255-R257 IonicContact OD2-CZ 3.82Å; D255-R257 IonicContact OD2-NE 3.03Å; D255-R257 PolarHBondContact OD2-NE 3.4Å; D255-R257 IonicContact OD2-NH2 3.22Å
256C96.6Very high96.4Very high58 Ų5871.9 Ų71.939%0.39238%0.375SS..EExtended strand (participates in β ladder)trans-128.5129.7176.4179.20000109.8F244F244-C256 CarbonylContact O-C 3.49Å; F244-C256 VanDerWaalsContact O-CA 3.27Å; F244-C256 WeakPolarHBondContact O-CA 3.12Å
257R97.2Very high96.4Very high87 Ų8777.5 Ų77.533%0.32840%0.404SS..EExtended strand (participates in β ladder)trans-115.9143.8175.6-69-68.1176166.2-2.6110.4W88 F140 Q243 F244 D255W88-R257 HydrophobicContact CD2-CG 3.68Å; W88-R257 VanDerWaalsContact CE2-CG 3.4Å; W88-R257 HydrophobicContact CE3-CB 4.41Å; W88-R257 HydrophobicContact CE3-CG 4.04Å; W88-R257 HydrophobicContact CG-CG 4.22Å; W88-R257 HydrophobicContact CH2-CB 4.18Å; W88-R257 HydrophobicContact CH2-CG 3.95Å; W88-R257 HydrophobicContact CZ2-CB 4.28Å; W88-R257 HydrophobicContact CZ2-CG 3.57Å; W88-R257 HydrophobicContact CZ3-CB 4.23Å; W88-R257 HydrophobicContact CZ3-CG 4.16Å; F140-R257 HydrophobicContact CB-CB 4.48Å; F140-R257 HydrophobicContact CD1-CB 4.31Å; F140-R257 HydrophobicContact CD1-CG 4.33Å; F140-R257 HydrophobicContact CD2-CB 4.01Å; F140-R257 HydrophobicContact CE1-CG 4.35Å; F140-R257 HydrophobicContact CE2-CB 4.22Å; F140-R257 HydrophobicContact CG-CB 4.04Å; F140-R257 HydrophobicContact CZ-CB 4.45Å; Q243-R257 CarbonylContact C-O 3.53Å; Q243-R257 WeakPolarHBondContact CA-O 3.24Å; F244-R257 PolarHBondContact N-O 3.48Å; F244-R257 PolarHBondContact O-N 2.92Å; D255-R257 IonicContact OD2-CZ 3.82Å; D255-R257 IonicContact OD2-NE 3.03Å; D255-R257 PolarHBondContact OD2-NE 3.4Å; D255-R257 IonicContact OD2-NH2 3.22Å
258Q97.2Very high96.4Very high81 Ų8172.4 Ų72.438%0.37938%0.381SS..EExtended strand (participates in β ladder)trans-118.5139.2174.8-169.1172.1-55.200110.2Q241 V242 Q243 C260Q241-Q258 HydrophobicContact CB-CG 4.47Å; V242-Q258 CarbonylContact O-C 3.57Å; V242-Q258 VanDerWaalsContact O-CA 3.31Å; V242-Q258 WeakPolarHBondContact O-CA 3.41Å; Q243-Q258 HydrophobicContact CG-CG 4.15Å; Q258-C260 PolarHBondContact NE2-SG 3.03Å
259F98Very high96.4Very high60 Ų6075.3 Ų75.326%0.26340%0.399SS..EExtended strand (participates in β ladder)trans-119111.4170.9-170.8-105.2000109.3T138 K139 F140 V242 F244 T261T138-F259 HydrophobicContact CG2-CB 4.4Å; T138-F259 HydrophobicContact CG2-CD1 3.78Å; T138-F259 HydrophobicContact CG2-CE1 4.37Å; T138-F259 HydrophobicContact CG2-CG 4.23Å; K139-F259 HydrophobicContact CD-CE2 4.37Å; K139-F259 HydrophobicContact CG-CD2 4.49Å; F140-F259 HydrophobicContact CD2-CB 4.22Å; F140-F259 HydrophobicContact CE2-CB 4.47Å; F140-F259 HydrophobicContact CE2-CD2 4.41Å; V242-F259 HydrophobicContact CB-CB 4.45Å; V242-F259 PolarHBondContact N-O 3.22Å; V242-F259 PolarHBondContact O-N 3.32Å; F244-F259 HydrophobicContact CE2-CB 4.18Å; F259-T261 WeakPolarHBondContact CE1-OG1 3.28Å
260C97.9Very high96.3Very high60 Ų6074.4 Ų74.441%0.40540%0.404SS..EExtended strand (participates in β ladder)trans-95.4137.7176-62.40000110.2V239 R240 Q258V239-C260 HydrophobicContact CG1-CB 4Å; R240-C260 CarbonylContact O-C 3.5Å; R240-C260 VanDerWaalsContact O-CA 3.28Å; R240-C260 WeakPolarHBondContact O-CA 3.32Å; Q258-C260 PolarHBondContact NE2-SG 3.03Å
261T98.1Very high96.4Very high43 Ų4366.5 Ų66.526%0.26437%0.374SS..EExtended strand (participates in β ladder)trans-134.5125.4171.4-50.70000108.8V239 R240 F259 V263V239-T261 CarbonylContact C-O 3.52Å; V239-T261 WeakPolarHBondContact CA-O 3.36Å; R240-T261 PolarHBondContact N-O 2.76Å; R240-T261 PolarHBondContact O-N 3.24Å; F259-T261 WeakPolarHBondContact CE1-OG1 3.28Å; T261-V263 HydrophobicContact CG2-CG1 4.38Å; T261-V263 PolarHBondContact O-N 2.82Å; T261-V263 VanDerWaalsContact O-N 3.1Å
262D98.1Very high96.6Very high78 Ų7865.1 Ų65.142%0.41737%0.372SS..EExtended strand (participates in β ladder)trans-73.299.4171-57.3-15.6000107.1L237 V239 R308L237-D262 HydrophobicContact CD2-CB 3.92Å; L237-D262 VanDerWaalsContact CD2-CG 3.44Å; L237-D262 VanDerWaalsContact CD2-OD2 3.28Å; L237-D262 WeakPolarHBondContact CD2-OD2 3.28Å; V239-D262 HydrophobicContact CG2-CB 4.41Å; V239-D262 WeakPolarHBondContact CG2-OD1 3.48Å; D262-R308 IonicContact OD1-NH1 2.77Å; D262-R308 PolarHBondContact OD1-NH1 2.93Å; D262-R308 IonicContact OD2-NH1 3.13Å; D262-R308 PolarHBondContact OD2-NH1 2.88Å
263V98.3Very high96.6Very high34 Ų3460 Ų6021%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-84.2-19.9-177.3-66.20000111.9L238 R240 T261 L289 Y303L238-V263 HydrophobicContact CB-CG2 4.04Å; L238-V263 HydrophobicContact CD2-CG2 3.95Å; L238-V263 HydrophobicContact CG-CG2 3.78Å; L238-V263 WeakPolarHBondContact O-CG2 3.04Å; L238-V263 PolarHBondContact O-N 3.29Å; R240-V263 HydrophobicContact CB-CG1 3.83Å; T261-V263 HydrophobicContact CG2-CG1 4.38Å; T261-V263 PolarHBondContact O-N 2.82Å; T261-V263 VanDerWaalsContact O-N 3.1Å; V263-L289 HydrophobicContact CB-CD1 4.36Å; V263-L289 HydrophobicContact CB-CD2 3.95Å; V263-L289 HydrophobicContact CG1-CD2 3.71Å; V263-L289 HydrophobicContact CG2-CD1 3.98Å; V263-L289 HydrophobicContact CG2-CD2 4.35Å; V263-Y303 HydrophobicContact CG2-CE1 4.34Å
264I98.3Very high96.4Very high20 Ų2060.1 Ų60.110%0.10336%0.362CS..EExtended strand (participates in β ladder)trans-137.8139.2169-57.1177.5000107.1L237 L238 V266 F283 H284 P286L237-I264 VanDerWaalsContact CA-O 3.28Å; L237-I264 WeakPolarHBondContact CA-O 3.3Å; L238-I264 HydrophobicContact CB-CB 3.88Å; L238-I264 HydrophobicContact CB-CD1 3.96Å; L238-I264 HydrophobicContact CB-CG1 4.04Å; L238-I264 HydrophobicContact CD2-CD1 3.81Å; L238-I264 HydrophobicContact CD2-CG1 4.36Å; L238-I264 PolarHBondContact N-O 2.63Å; L238-I264 VanDerWaalsContact N-O 3.14Å; L238-I264 PolarHBondContact O-N 3.07Å; I264-V266 HydrophobicContact CG2-CG2 4.05Å; I264-F283 HydrophobicContact CD1-CB 4.37Å; I264-F283 HydrophobicContact CD1-CD2 3.17Å; I264-F283 HydrophobicContact CD1-CE2 3.53Å; I264-F283 HydrophobicContact CD1-CG 3.92Å; I264-F283 HydrophobicContact CG2-CB 4Å; I264-F283 HydrophobicContact CG2-CD2 4.39Å; I264-F283 HydrophobicContact CG2-CG 4.09Å; I264-H284 WeakPolarHBondContact CD1-O 3.28Å; I264-P286 HydrophobicContact CG1-CG 4.21Å
265C98.2Very high96.5Very high72 Ų7260.4 Ų60.449%0.48635%0.353SS..EExtended strand (participates in β ladder)trans-136.6118.9169.5-171.50000108.2L237L237-C265 HydrophobicContact CD2-CB 4.49Å
266V98.2Very high96.5Very high39 Ų3963.6 Ų63.624%0.23637%0.366CS..EExtended strand (participates in β ladder)trans-113.2110172.7-175.10000107.3S235 L236 I264 L268 V281 F283S235-V266 CarbonylContact C-O 3.53Å; S235-V266 VanDerWaalsContact CA-O 3.28Å; S235-V266 WeakPolarHBondContact CA-O 3.12Å; L236-V266 HydrophobicContact CB-CB 4.45Å; L236-V266 PolarHBondContact N-O 2.95Å; L236-V266 PolarHBondContact O-N 2.88Å; I264-V266 HydrophobicContact CG2-CG2 4.05Å; V266-L268 HydrophobicContact CG1-CD2 4.4Å; V266-V281 HydrophobicContact CB-CG1 4.15Å; V266-V281 HydrophobicContact CG1-CG1 3.66Å; V266-F283 HydrophobicContact CG2-CB 4.24Å
267D97.9Very high96.5Very high122 Ų12262.6 Ų62.665%0.65236%0.355SS*.EExtended strand (participates in β ladder)trans-72.9129.2175.4-66.2-33000109.8S235S235-D267 PolarHBondContact OG-OD1 3.18Å
268L97.5Very high96.5Very high14 Ų1461.7 Ų61.77%0.07336%0.361CS..PPolyproline II helixtrans-95.6158.1-179.5-55.8-178.5000109.9V221 C234 L236 V266 Y277 V281 L307V221-L268 HydrophobicContact CB-CD1 4.45Å; V221-L268 HydrophobicContact CG1-CD1 3.7Å; C234-L268 HydrophobicContact CB-CB 4.25Å; C234-L268 WeakPolarHBondContact O-CB 3.38Å; C234-L268 PolarHBondContact O-N 2.85Å; L236-L268 HydrophobicContact CB-CD1 4.47Å; V266-L268 HydrophobicContact CG1-CD2 4.4Å; L268-Y277 HydrophobicContact CB-CE1 4.16Å; L268-Y277 HydrophobicContact CD1-CD1 4.49Å; L268-Y277 HydrophobicContact CD1-CE1 4.04Å; L268-Y277 HydrophobicContact CD2-CE1 4.16Å; L268-Y277 HydrophobicContact CG-CE1 4.34Å; L268-V281 HydrophobicContact CD2-CB 4.48Å; L268-V281 HydrophobicContact CD2-CG1 4.04Å; L268-V281 HydrophobicContact CD2-CG2 3.63Å; L268-L307 HydrophobicContact CD1-CD1 3.71Å
269P95.4Very high96.6Very high73 Ų7362 Ų6247%0.47437%0.366SS..PPolyproline II helixtrans-54.9148.2175.1-25.735.8000112.3V271 Y277P269-V271 PolarHBondContact O-N 2.88Å; P269-Y277 HydrophobicContact CB-CD2 4.42Å; P269-Y277 HydrophobicContact CG-CD2 4.1Å; P269-Y277 HydrophobicContact CG-CE2 3.71Å
270N91.2Very high96.6Very high111 Ų11162.9 Ų62.959%0.59437%0.373SS*.PPolyproline II helixtrans-64.1129.8174.1-71.1-31.7000110.2
271V94.9Very high96.6Very high4 Ų460.6 Ų60.62%0.02436%0.357CS..  trans-100.5108.9176.1-166.20000109V223 N225 L231 P269 D275V223-V271 HydrophobicContact CB-CG2 4.23Å; V223-V271 HydrophobicContact CG1-CB 4.49Å; V223-V271 HydrophobicContact CG1-CG2 3.98Å; N225-V271 HydrophobicContact CB-CB 4.27Å; N225-V271 HydrophobicContact CB-CG1 3.73Å; N225-V271 PolarHBondContact ND2-O 3.04Å; L231-V271 HydrophobicContact CD1-CB 3.77Å; L231-V271 HydrophobicContact CD1-CG2 4.01Å; L231-V271 HydrophobicContact CG-CB 4.15Å; L231-V271 PolarHBondContact N-O 2.92Å; L231-V271 VanDerWaalsContact N-O 3.09Å; P269-V271 PolarHBondContact O-N 2.88Å; V271-D275 HydrophobicContact CG1-CB 4.25Å; V271-D275 WeakPolarHBondContact CG1-O 3.43Å
272T94.3Very high96.6Very high66 Ų6662.4 Ų62.441%0.40537%0.372SS..  trans-69.4163.5177.725.60000112.1N225 Q230 G274 D275N225-T272 PolarHBondContact ND2-O 3.4Å; Q230-T272 HydrophobicContact CB-CG2 4.34Å; T272-G274 PolarHBondContact O-N 2.79Å; T272-D275 VanDerWaalsContact CB-OD2 3.27Å; T272-D275 WeakPolarHBondContact CB-OD2 3.31Å; T272-D275 PolarHBondContact O-N 2.94Å; T272-D275 VanDerWaalsContact O-N 3.16Å; T272-D275 PolarHBondContact OG1-OD2 2.82Å
273S92.7Very high96.6Very high59 Ų5959.5 Ų59.541%0.41336%0.355SS..THydrogen-bonded Turntrans-60124.4178.7170.70000110.5S227 D275S227-S273 WeakPolarHBondContact O-CB 3.34Å; S227-S273 PolarHBondContact O-OG 2.81Å; S273-D275 VanDerWaalsContact C-N 3.34Å
274G92.6Very high96.5Very high59 Ų5964.4 Ų64.461%0.60838%0.376SS*.THydrogen-bonded Turntrans89-5.8-179.100000114.8N225 T272N225-G274 WeakPolarHBondContact O-CA 3.38Å; N225-G274 PolarHBondContact O-N 2.81Å; T272-G274 PolarHBondContact O-N 2.79Å
275D96.2Very high96.5Very high82 Ų8263.5 Ų63.544%0.43937%0.371SS..  trans-100168.1-177.2-65.5-46.3000112.6N225 V271 T272 S273N225-D275 PolarHBondContact N-O 2.7Å; V271-D275 HydrophobicContact CG1-CB 4.25Å; V271-D275 WeakPolarHBondContact CG1-O 3.43Å; T272-D275 VanDerWaalsContact CB-OD2 3.27Å; T272-D275 WeakPolarHBondContact CB-OD2 3.31Å; T272-D275 PolarHBondContact O-N 2.94Å; T272-D275 VanDerWaalsContact O-N 3.16Å; T272-D275 PolarHBondContact OG1-OD2 2.82Å; S273-D275 VanDerWaalsContact C-N 3.34Å
276E96.7Very high96.5Very high113 Ų11361.7 Ų61.753%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-129.1150.217062.8173.4-140.400111.6K222 V223 V224K222-E276 VanDerWaalsContact CE-OE2 3.25Å; K222-E276 WeakPolarHBondContact CE-OE2 3.26Å; K222-E276 VanDerWaalsContact NZ-CD 3.28Å; K222-E276 IonicContact NZ-OE1 2.95Å; K222-E276 PolarHBondContact NZ-OE1 2.95Å; K222-E276 VanDerWaalsContact NZ-OE1 3.13Å; K222-E276 IonicContact NZ-OE2 3.86Å; K222-E276 PolarHBondContact NZ-OE2 2.77Å; V223-E276 CarbonylContact O-C 3.53Å; V223-E276 WeakPolarHBondContact O-CA 3.12Å; V223-E276 WeakPolarHBondContact O-CB 3.18Å; V224-E276 HydrophobicContact CB-CB 4.4Å; V224-E276 HydrophobicContact CG1-CB 4.37Å; V224-E276 HydrophobicContact CG2-CB 4.06Å
277Y97.6Very high96.3Very high38 Ų3866.1 Ų66.115%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-116.3133.2167.6170.7-106000108.3V221 K222 V223 L268 P269 D279V221-Y277 HydrophobicContact CG1-CE1 4.43Å; K222-Y277 CarbonylContact C-O 3.33Å; K222-Y277 VanDerWaalsContact CA-O 3.28Å; K222-Y277 WeakPolarHBondContact CA-O 3.38Å; V223-Y277 PolarHBondContact N-O 2.82Å; V223-Y277 PolarHBondContact O-N 3.13Å; L268-Y277 HydrophobicContact CB-CE1 4.16Å; L268-Y277 HydrophobicContact CD1-CD1 4.49Å; L268-Y277 HydrophobicContact CD1-CE1 4.04Å; L268-Y277 HydrophobicContact CD2-CE1 4.16Å; L268-Y277 HydrophobicContact CG-CE1 4.34Å; P269-Y277 HydrophobicContact CB-CD2 4.42Å; P269-Y277 HydrophobicContact CG-CD2 4.1Å; P269-Y277 HydrophobicContact CG-CE2 3.71Å; Y277-D279 HydrophobicContact CE1-CB 4.26Å; Y277-D279 HydrophobicContact CE2-CB 3.84Å; Y277-D279 VanDerWaalsContact OH-CB 3.26Å; Y277-D279 WeakPolarHBondContact OH-CB 3.28Å
278S98Very high96.2Very high67 Ų6766.8 Ų66.847%0.46938%0.384SS..EExtended strand (participates in β ladder)trans-147.7122.4173.8-170.60000109.7V221V221-S278 VanDerWaalsContact O-CA 3.28Å; V221-S278 WeakPolarHBondContact O-CA 3.28Å
279D98.1Very high96.1Very high89 Ų8966.6 Ų66.648%0.47638%0.384SS..EExtended strand (participates in β ladder)trans-160.3165.8-178-152-9.3000111.5V221 Y277V221-D279 PolarHBondContact N-O 2.87Å; V221-D279 PolarHBondContact O-N 2.85Å; Y277-D279 HydrophobicContact CE1-CB 4.26Å; Y277-D279 HydrophobicContact CE2-CB 3.84Å; Y277-D279 VanDerWaalsContact OH-CB 3.26Å; Y277-D279 WeakPolarHBondContact OH-CB 3.28Å
280D98.3Very high96.2Very high78 Ų7863.6 Ų63.642%0.41736%0.364SS..EExtended strand (participates in β ladder)trans-93.6107.7169.4-69.6-41.2000109.3R220R220-D280 WeakPolarHBondContact CA-OD1 3.49Å; R220-D280 VanDerWaalsContact CB-OD1 3.29Å; R220-D280 WeakPolarHBondContact CB-OD1 3.39Å; R220-D280 IonicContact CZ-OD1 3.4Å; R220-D280 IonicContact NE-OD1 2.79Å; R220-D280 PolarHBondContact NE-OD1 2.93Å; R220-D280 IonicContact NH2-OD1 2.81Å; R220-D280 IonicContact NH2-OD2 3.56Å
281V98.2Very high96.4Very high11 Ų1158.3 Ų58.37%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-94.9124.7-176.6-176.20000109.6V219 V221 L236 V266 L268V219-V281 PolarHBondContact N-O 2.91Å; V219-V281 PolarHBondContact O-N 2.88Å; V221-V281 HydrophobicContact CB-CG2 4.25Å; V221-V281 HydrophobicContact CG2-CG2 4.08Å; L236-V281 HydrophobicContact CD2-CB 3.88Å; L236-V281 HydrophobicContact CD2-CG1 3.72Å; V266-V281 HydrophobicContact CB-CG1 4.15Å; V266-V281 HydrophobicContact CG1-CG1 3.66Å; L268-V281 HydrophobicContact CD2-CB 4.48Å; L268-V281 HydrophobicContact CD2-CG1 4.04Å; L268-V281 HydrophobicContact CD2-CG2 3.63Å
282S97.5Very high96.4Very high82 Ų8258.3 Ų58.357%0.57334%0.336SS*.EExtended strand (participates in β ladder)trans-108.6145.3-177.7-66.60000113.2V217V217-S282 CarbonylContact O-C 3.59Å; V217-S282 VanDerWaalsContact O-CA 3.24Å; V217-S282 WeakPolarHBondContact O-CA 3.44Å
283F97.9Very high96.4Very high16 Ų1656.7 Ų56.77%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-148.7163.7171.861.1-100.3000111.7F211 V217 V219 L236 L238 I264 V266 V285 L305F211-F283 HydrophobicContact CE2-CZ 4.19Å; V217-F283 HydrophobicContact CB-CD2 4.18Å; V217-F283 HydrophobicContact CB-CE1 4.36Å; V217-F283 HydrophobicContact CB-CE2 3.71Å; V217-F283 HydrophobicContact CB-CZ 3.82Å; V217-F283 HydrophobicContact CG1-CE1 4.19Å; V217-F283 HydrophobicContact CG1-CE2 4.16Å; V217-F283 HydrophobicContact CG1-CZ 3.74Å; V217-F283 HydrophobicContact CG2-CE2 4.06Å; V217-F283 HydrophobicContact CG2-CZ 4.45Å; V217-F283 PolarHBondContact N-O 2.98Å; V217-F283 PolarHBondContact O-N 3.34Å; V219-F283 HydrophobicContact CG2-CE1 3.77Å; V219-F283 HydrophobicContact CG2-CZ 4.37Å; L236-F283 HydrophobicContact CD2-CD1 4.19Å; L236-F283 HydrophobicContact CD2-CE1 4.1Å; L238-F283 HydrophobicContact CD2-CE2 4.45Å; I264-F283 HydrophobicContact CD1-CB 4.37Å; I264-F283 HydrophobicContact CD1-CD2 3.17Å; I264-F283 HydrophobicContact CD1-CE2 3.53Å; I264-F283 HydrophobicContact CD1-CG 3.92Å; I264-F283 HydrophobicContact CG2-CB 4Å; I264-F283 HydrophobicContact CG2-CD2 4.39Å; I264-F283 HydrophobicContact CG2-CG 4.09Å; V266-F283 HydrophobicContact CG2-CB 4.24Å; F283-V285 HydrophobicContact CE2-CG2 4.15Å; F283-L305 HydrophobicContact CE1-CD1 3.89Å; F283-L305 HydrophobicContact CZ-CD1 3.95Å
284H97.8Very high96.3Very high137 Ų13756.5 Ų56.563%0.63432%0.321SS*.EExtended strand (participates in β ladder)trans-102.5133170.7-77.2-86.9000110.8Q215 I264 P286Q215-H284 WeakPolarHBondContact O-CA 3.28Å; I264-H284 WeakPolarHBondContact CD1-O 3.28Å; H284-P286 WeakPolarHBondContact O-CD 3.29Å
285V97.7Very high96Very high1 Ų158.8 Ų58.81%0.00632%0.316CS..PPolyproline II helixtrans-69.8120.6172.4-177.20000108.9F211 G214 Q215 V217 F283 L289 L323F211-V285 HydrophobicContact CB-CG2 4.27Å; G214-V285 WeakPolarHBondContact CA-O 3.48Å; G214-V285 PolarHBondContact N-O 3.04Å; Q215-V285 PolarHBondContact O-N 3.42Å; V217-V285 HydrophobicContact CG2-CG2 3.84Å; F283-V285 HydrophobicContact CE2-CG2 4.15Å; V285-L289 HydrophobicContact CG1-CD1 3.95Å; V285-L323 HydrophobicContact CG1-CD2 3.87Å; V285-L323 HydrophobicContact CG1-CG 4.43Å
286P97.4Very high95.6Very high35 Ų3561.1 Ų61.123%0.22734%0.335CS..PPolyproline II helixtrans-60.2143.9-178.4-22.229.6000113.3I264 H284 D288 L289I264-P286 HydrophobicContact CG1-CG 4.21Å; H284-P286 WeakPolarHBondContact O-CD 3.29Å; P286-D288 VanDerWaalsContact C-N 3.29Å; P286-D288 WeakPolarHBondContact CB-OD1 3.31Å; P286-D288 PolarHBondContact O-N 2.81Å; P286-L289 HydrophobicContact CB-CD1 4.44Å; P286-L289 HydrophobicContact CB-CG 4.09Å; P286-L289 HydrophobicContact CG-CD1 4.27Å; P286-L289 HydrophobicContact CG-CG 4.38Å
287N95.2Very high95.5Very high132 Ų13256.7 Ų56.771%0.70632%0.317SS*.THydrogen-bonded Turntrans-75.3-14.8-176.2-69.7-61.4000114.1G214G214-N287 WeakPolarHBondContact CA-OD1 3.47Å
288D94.3Very high95.4Very high135 Ų13555.8 Ų55.872%0.72231%0.314SS*.THydrogen-bonded Turntrans-92.42.4-179.164.5-43.5000113.1P286P286-D288 VanDerWaalsContact C-N 3.29Å; P286-D288 WeakPolarHBondContact CB-OD1 3.31Å; P286-D288 PolarHBondContact O-N 2.81Å
289L96.5Very high95.4Very high11 Ų1152.6 Ų52.66%0.05829%0.292CS..PPolyproline II helixtrans-73.9154.9173.4-62.4-173.5000111.7I213 L238 V263 V285 P286 Y303 L323I213-L289 WeakPolarHBondContact CD1-O 3.34Å; L238-L289 HydrophobicContact CD2-CD1 4.44Å; V263-L289 HydrophobicContact CB-CD1 4.36Å; V263-L289 HydrophobicContact CB-CD2 3.95Å; V263-L289 HydrophobicContact CG1-CD2 3.71Å; V263-L289 HydrophobicContact CG2-CD1 3.98Å; V263-L289 HydrophobicContact CG2-CD2 4.35Å; V285-L289 HydrophobicContact CG1-CD1 3.95Å; P286-L289 HydrophobicContact CB-CD1 4.44Å; P286-L289 HydrophobicContact CB-CG 4.09Å; P286-L289 HydrophobicContact CG-CD1 4.27Å; P286-L289 HydrophobicContact CG-CG 4.38Å; L289-Y303 HydrophobicContact CD1-CE1 4.14Å; L289-L323 HydrophobicContact CB-CD2 4.28Å; L289-L323 HydrophobicContact CD1-CD2 3.67Å
290V96.2Very high95.3Very high9 Ų949.6 Ų49.66%0.05528%0.278CS..PPolyproline II helixtrans-96.9150.5170.5-61.20000109.4I136 I166 V301 Y303I136-V290 HydrophobicContact CD1-CG2 4.42Å; I166-V290 HydrophobicContact CD1-CG1 3.95Å; V290-V301 HydrophobicContact CG2-CB 4.36Å; V290-V301 HydrophobicContact CG2-CG1 3.98Å; V290-V301 HydrophobicContact CG2-CG2 4.04Å; V290-Y303 WeakPolarHBondContact O-CE2 3.48Å; V290-Y303 PolarHBondContact O-OH 3.32Å
291P96.1Very high95.3Very high1 Ų146 Ų461%0.00626%0.259CS..PPolyproline II helixtrans-67.2166.1175.230.3-39.4000112.2S134 I166 A167 L323 T325S134-P291 WeakPolarHBondContact OG-CD 3.31Å; I166-P291 HydrophobicContact CG2-CG 4.41Å; A167-P291 HydrophobicContact CB-CG 4.12Å; A167-P291 WeakPolarHBondContact O-CG 3.25Å; P291-L323 CarbonylContact C-O 3.48Å; P291-L323 VanDerWaalsContact CA-O 3.24Å; P291-L323 WeakPolarHBondContact CA-O 3.26Å; P291-L323 VanDerWaalsContact CB-O 3.22Å; P291-L323 WeakPolarHBondContact CB-O 3.11Å; P291-T325 HydrophobicContact CB-CG2 4.11Å; P291-T325 HydrophobicContact CG-CG2 3.85Å
292T95.7Very high95.2Very high3 Ų347.2 Ų47.22%0.01827%0.27CS..PPolyproline II helixtrans-61.9136.4171.2-65.50000110.9L294 V301 Y322 L323T292-L294 PolarHBondContact O-N 3.36Å; T292-V301 WeakPolarHBondContact CA-O 3.45Å; T292-Y322 HydrophobicContact CG2-CD1 3.6Å; T292-Y322 HydrophobicContact CG2-CE1 3.88Å; T292-Y322 HydrophobicContact CG2-CG 4.23Å; T292-Y322 WeakPolarHBondContact OG1-CA 3.46Å; T292-L323 PolarHBondContact N-O 3.13Å; T292-L323 PolarHBondContact OG1-N 2.71Å
293S94.3Very high95.3Very high32 Ų3243.4 Ų43.422%0.22424%0.243CC..PPolyproline II helixtrans-69.5124.4172.6-60.80000110.8V301S293-V301 PolarHBondContact N-O 3.15Å; S293-V301 PolarHBondContact OG-N 2.84Å
294L89.3Confident95.3Very high56 Ų5646.5 Ų46.529%0.29326%0.256SS..  trans-101-27.9177.4-65.3-169.5000114.1T169 L174 L177 T292T169-L294 HydrophobicContact CG2-CD1 3.73Å; T169-L294 HydrophobicContact CG2-CG 4.07Å; L174-L294 HydrophobicContact CD2-CD1 3.86Å; L174-L294 HydrophobicContact CD2-CD2 3.6Å; L174-L294 HydrophobicContact CD2-CG 4.18Å; L177-L294 HydrophobicContact CD1-CD2 3.71Å; T292-L294 PolarHBondContact O-N 3.36Å
295H87Confident95.3Very high106 Ų10640 Ų4049%0.49123%0.226SC..SBendtrans-95.1145178.7-56.8106.9000110.2C297H295-C297 PolarHBondContact O-N 2.94Å
296P88.7Confident95.3Very high131 Ų13140.3 Ų40.385%0.85123%0.228SC*.  trans-55.1130168.5-23.133.7000110.2
297C93.3Very high95.4Very high20 Ų2038.6 Ų38.614%0.13522%0.217CC..  trans-150.1152.9175.6-176.50000108H295 V299H295-C297 PolarHBondContact O-N 2.94Å; C297-V299 WeakPolarHBondContact CB-O 3.44Å; C297-V299 PolarHBondContact O-N 2.79Å; C297-V299 VanDerWaalsContact O-N 3.11Å; C297-V299 PolarHBondContact SG-O 3.09Å
298L95.8Very high95.5Very high20 Ų2034.2 Ų34.211%0.10519%0.19CC..SBendtrans-48.8-34.3171.5-167.187.5000113.4A84 R85 A86 T99 E101 H245A84-L298 HydrophobicContact CB-CB 3.99Å; A84-L298 HydrophobicContact CB-CD2 4.35Å; A84-L298 WeakPolarHBondContact O-CD2 3.09Å; R85-L298 VanDerWaalsContact C-CD2 3.49Å; R85-L298 VanDerWaalsContact CA-CD2 3.5Å; A86-L298 HydrophobicContact CB-CD2 3.54Å; A86-L298 HydrophobicContact CB-CG 3.87Å; A86-L298 VanDerWaalsContact N-CD2 3.25Å; T99-L298 HydrophobicContact CG2-CD1 3.4Å; T99-L298 WeakPolarHBondContact O-CD2 3.49Å; E101-L298 PolarHBondContact OE2-N 3.47Å; H245-L298 PolarHBondContact N-O 2.96Å; H245-L298 WeakPolarHBondContact O-CD1 3.25Å; H245-L298 WeakPolarHBondContact O-CG 3.35Å
299V98.2Very high95.5Very high0 Ų027.8 Ų27.80%016%0.156CC..EExtended strand (participates in β ladder)trans-122.7123.4177.4-176.80000108.6I136 I143 V242 Q243 F244 C297I136-V299 HydrophobicContact CG2-CG1 3.89Å; I143-V299 HydrophobicContact CD1-CB 3.91Å; I143-V299 HydrophobicContact CD1-CG1 4.2Å; I143-V299 HydrophobicContact CG1-CB 3.78Å; I143-V299 HydrophobicContact CG1-CG1 4.11Å; I143-V299 HydrophobicContact CG1-CG2 4.34Å; V242-V299 HydrophobicContact CG1-CG1 3.75Å; Q243-V299 VanDerWaalsContact O-CA 3.31Å; Q243-V299 WeakPolarHBondContact O-CA 3.21Å; F244-V299 HydrophobicContact CD1-CB 4.3Å; F244-V299 HydrophobicContact CD1-CG1 3.91Å; F244-V299 HydrophobicContact CD1-CG2 3.57Å; F244-V299 HydrophobicContact CE1-CB 4.28Å; F244-V299 HydrophobicContact CE1-CG1 3.48Å; F244-V299 VanDerWaalsContact CE1-CG1 3.48Å; F244-V299 HydrophobicContact CE1-CG2 3.79Å; F244-V299 HydrophobicContact CZ-CG1 3.97Å; C297-V299 WeakPolarHBondContact CB-O 3.44Å; C297-V299 PolarHBondContact O-N 2.79Å; C297-V299 VanDerWaalsContact O-N 3.11Å; C297-V299 PolarHBondContact SG-O 3.09Å
300S96.8Very high95.4Very high25 Ų2531.7 Ų31.718%0.17517%0.172CC..EExtended strand (participates in β ladder)trans-128.3150.1-179.767.80000111.8V242 Q243V242-S300 CarbonylContact C-O 3.52Å; V242-S300 VanDerWaalsContact CA-O 3.29Å; V242-S300 WeakPolarHBondContact CA-O 3.49Å; Q243-S300 PolarHBondContact N-O 3.47Å; Q243-S300 PolarHBondContact O-N 3.05Å
301V97.7Very high94.8Very high4 Ų431.6 Ų31.62%0.02417%0.171CC..EExtended strand (participates in β ladder)trans-116.5128.9178.5-172.50000109.7I136 R240 V242 V290 T292 S293 Y303I136-V301 HydrophobicContact CD1-CG2 3.62Å; R240-V301 HydrophobicContact CG-CG1 3.71Å; V242-V301 HydrophobicContact CG1-CG2 4.4Å; V290-V301 HydrophobicContact CG2-CB 4.36Å; V290-V301 HydrophobicContact CG2-CG1 3.98Å; V290-V301 HydrophobicContact CG2-CG2 4.04Å; T292-V301 WeakPolarHBondContact CA-O 3.45Å; S293-V301 PolarHBondContact N-O 3.15Å; S293-V301 PolarHBondContact OG-N 2.84Å; V301-Y303 HydrophobicContact CG1-CD2 4.36Å; V301-Y303 HydrophobicContact CG1-CE2 3.58Å
302A96.6Very high94.2Very high35 Ų3534.4 Ų34.429%0.28920%0.201SC..EExtended strand (participates in β ladder)trans-132.9166172.400000110.3Q241Q241-A302 PolarHBondContact N-O 3.44Å; Q241-A302 PolarHBondContact O-N 2.91Å
303Y97.9Very high93.8Very high3 Ų337 Ų371%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-131.7148.3-179.9-68.7-96.3000111.6L238 V239 R240 V263 L289 V290 V301 V321 L323L238-Y303 HydrophobicContact CD1-CD1 4.38Å; L238-Y303 HydrophobicContact CG-CD1 4.32Å; V239-Y303 CarbonylContact O-C 3.59Å; V239-Y303 VanDerWaalsContact O-CA 3.3Å; V239-Y303 WeakPolarHBondContact O-CA 3.48Å; R240-Y303 HydrophobicContact CB-CD1 3.97Å; R240-Y303 HydrophobicContact CB-CE1 3.51Å; R240-Y303 WeakPolarHBondContact CD-OH 3.36Å; R240-Y303 HydrophobicContact CG-CD1 4.33Å; R240-Y303 HydrophobicContact CG-CE1 3.67Å; R240-Y303 HydrophobicContact CG-CE2 4.36Å; V263-Y303 HydrophobicContact CG2-CE1 4.34Å; L289-Y303 HydrophobicContact CD1-CE1 4.14Å; V290-Y303 WeakPolarHBondContact O-CE2 3.48Å; V290-Y303 PolarHBondContact O-OH 3.32Å; V301-Y303 HydrophobicContact CG1-CD2 4.36Å; V301-Y303 HydrophobicContact CG1-CE2 3.58Å; Y303-V321 PolarHBondContact O-N 2.77Å; Y303-L323 HydrophobicContact CD1-CD1 4.08Å; Y303-L323 HydrophobicContact CD1-CD2 3.94Å; Y303-L323 HydrophobicContact CD2-CB 4.03Å; Y303-L323 HydrophobicContact CD2-CD1 3.94Å; Y303-L323 HydrophobicContact CD2-CD2 4.14Å; Y303-L323 HydrophobicContact CD2-CG 4.25Å; Y303-L323 HydrophobicContact CE1-CD2 3.69Å; Y303-L323 HydrophobicContact CE2-CB 4.05Å; Y303-L323 HydrophobicContact CE2-CD2 3.94Å; Y303-L323 HydrophobicContact CE2-CG 4.4Å; Y303-L323 HydrophobicContact CG-CD1 3.7Å; Y303-L323 HydrophobicContact CG-CD2 4.16Å; Y303-L323 HydrophobicContact CG-CG 4.37Å
304K97.9Very high93.7Very high80 Ų8040.2 Ų40.235%0.34823%0.227SC..EExtended strand (participates in β ladder)trans-131.6133.1171.5-67.4-169.6177.4-173.50110.3V239 M306 L319V239-K304 PolarHBondContact N-O 2.83Å; V239-K304 PolarHBondContact O-N 3.23Å; K304-M306 HydrophobicContact CB-CG 3.97Å; K304-M306 HydrophobicContact CB-SD 4.36Å; K304-L319 CarbonylContact C-O 3.59Å; K304-L319 VanDerWaalsContact CA-O 3.32Å; K304-L319 WeakPolarHBondContact CA-O 3.39Å
305L98.3Very high93.9Very high0 Ų038.5 Ų38.50%022%0.217CC..EExtended strand (participates in β ladder)trans-84.4122.7163-17570.1000107.4L204 F211 V219 L236 L237 F283 G318 L319 V321L204-L305 HydrophobicContact CD1-CD2 4.07Å; L204-L305 HydrophobicContact CD1-CG 4.27Å; L204-L305 HydrophobicContact CD2-CB 4.35Å; L204-L305 HydrophobicContact CD2-CD2 4Å; L204-L305 HydrophobicContact CD2-CG 3.94Å; L204-L305 WeakPolarHBondContact CD2-O 3.27Å; L204-L305 HydrophobicContact CG-CD2 4.17Å; F211-L305 HydrophobicContact CZ-CD2 4.44Å; V219-L305 HydrophobicContact CB-CD2 4.38Å; V219-L305 HydrophobicContact CG1-CD2 3.75Å; V219-L305 HydrophobicContact CG2-CD1 4.15Å; V219-L305 HydrophobicContact CG2-CD2 3.66Å; L236-L305 HydrophobicContact CD1-CD1 3.88Å; L236-L305 HydrophobicContact CD1-CG 4.15Å; L236-L305 HydrophobicContact CG-CD1 4.31Å; L237-L305 CarbonylContact O-C 3.49Å; L237-L305 WeakPolarHBondContact O-CA 3.28Å; F283-L305 HydrophobicContact CE1-CD1 3.89Å; F283-L305 HydrophobicContact CZ-CD1 3.95Å; L305-G318 CarbonylContact O-C 3.56Å; L305-G318 WeakPolarHBondContact O-CA 3.46Å; L305-L319 PolarHBondContact N-O 2.62Å; L305-L319 PolarHBondContact O-N 3.18Å; L305-V321 HydrophobicContact CB-CG1 4.03Å
306M98.4Very high94.4Very high8 Ų837.1 Ų37.14%0.03921%0.211CC..EExtended strand (participates in β ladder)trans-129.4141.1-173.8-68.8-167.6-63.300111.8L236 L237 V239 K304 I317L236-M306 CarbonylContact C-O 3.52Å; L236-M306 WeakPolarHBondContact CA-O 3.32Å; L237-M306 PolarHBondContact N-O 2.86Å; L237-M306 PolarHBondContact O-N 2.89Å; V239-M306 HydrophobicContact CB-CE 3.41Å; V239-M306 VanDerWaalsContact CB-CE 3.41Å; V239-M306 HydrophobicContact CG1-CE 3.82Å; V239-M306 HydrophobicContact CG2-CE 3.05Å; K304-M306 HydrophobicContact CB-CG 3.97Å; K304-M306 HydrophobicContact CB-SD 4.36Å; M306-I317 CarbonylContact C-O 3.54Å; M306-I317 VanDerWaalsContact CA-O 3.28Å; M306-I317 WeakPolarHBondContact CA-O 3.41Å
307L98.4Very high94.8Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-109.6119.3168.5178.261.5000107.6L202 L204 V221 V223 L268 E316 I317L202-L307 HydrophobicContact CB-CD2 4.08Å; L202-L307 HydrophobicContact CD2-CD2 4.24Å; L204-L307 HydrophobicContact CD1-CB 4.43Å; V221-L307 HydrophobicContact CG1-CD1 3.68Å; V221-L307 HydrophobicContact CG1-CD2 3.68Å; V221-L307 HydrophobicContact CG1-CG 4.33Å; V223-L307 HydrophobicContact CG2-CD1 4.32Å; V223-L307 HydrophobicContact CG2-CD2 4Å; L268-L307 HydrophobicContact CD1-CD1 3.71Å; L307-E316 VanDerWaalsContact O-CA 3.29Å; L307-E316 WeakPolarHBondContact O-CA 3.4Å; L307-I317 HydrophobicContact CB-CD1 4.44Å; L307-I317 HydrophobicContact CB-CG1 3.87Å; L307-I317 HydrophobicContact CD2-CD1 4.27Å; L307-I317 HydrophobicContact CD2-CG1 4.42Å; L307-I317 PolarHBondContact N-O 2.86Å; L307-I317 PolarHBondContact O-N 3.04Å
308R97.4Very high95Very high39 Ų3931.2 Ų31.215%0.14718%0.176CC..EExtended strand (participates in β ladder)trans-117.5139.5-177.9-68.9-178.7171.3153.9-4.6110.5W233 C234 S235 L237 D262 F314 E316W233-R308 HydrophobicContact CH2-CB 3.63Å; W233-R308 HydrophobicContact CZ3-CB 3.54Å; C234-R308 WeakPolarHBondContact CA-O 3.32Å; S235-R308 PolarHBondContact N-O 3.24Å; S235-R308 PolarHBondContact O-N 3.37Å; L237-R308 HydrophobicContact CD1-CB 3.82Å; L237-R308 VanDerWaalsContact CD1-CD 3.5Å; L237-R308 HydrophobicContact CD1-CG 3.56Å; D262-R308 IonicContact OD1-NH1 2.77Å; D262-R308 PolarHBondContact OD1-NH1 2.93Å; D262-R308 IonicContact OD2-NH1 3.13Å; D262-R308 PolarHBondContact OD2-NH1 2.88Å; R308-F314 HydrophobicContact CB-CE2 4.13Å; R308-F314 HydrophobicContact CB-CZ 4.3Å; R308-F314 HydrophobicContact CG-CE2 4.15Å; R308-F314 HydrophobicContact CG-CZ 3.84Å; R308-E316 HydrophobicContact CG-CB 3.78Å; R308-E316 IonicContact CZ-OE2 2.76Å; R308-E316 IonicContact NE-OE2 3.95Å; R308-E316 PolarHBondContact NE-OE2 2.99Å; R308-E316 IonicContact NH2-OE2 3.19Å; R308-E316 PolarHBondContact NH2-OE2 2.87Å
309V95.9Very high95.1Very high0 Ų030.4 Ų30.40%017%0.172CC..EExtended strand (participates in β ladder)trans-135.5151.4173.8-58.80000110.8I200 L202 V223 L231 W233 C234 H315I200-V309 HydrophobicContact CG2-CG2 4.21Å; L202-V309 HydrophobicContact CD1-CG1 4.4Å; L202-V309 HydrophobicContact CD1-CG2 3.95Å; L202-V309 HydrophobicContact CD2-CG1 3.64Å; L202-V309 HydrophobicContact CD2-CG2 4.04Å; L202-V309 HydrophobicContact CG-CG2 4.48Å; V223-V309 HydrophobicContact CG1-CG1 4.34Å; L231-V309 HydrophobicContact CD1-CB 4.32Å; L231-V309 HydrophobicContact CD1-CG1 4.12Å; W233-V309 WeakPolarHBondContact O-CA 3.33Å; C234-V309 HydrophobicContact CB-CG1 4.03Å; C234-V309 VanDerWaalsContact SG-CG1 3.58Å; V309-H315 HydrophobicContact CG2-CB 3.79Å; V309-H315 PolarHBondContact N-O 3.05Å; V309-H315 PolarHBondContact O-N 3.29Å
310K92.5Very high95.1Very high93 Ų9333 Ų3340%0.40419%0.189SC..EExtended strand (participates in β ladder)trans-126.4124.8171.2-172.5175.4-1771770110.9A232 W233 T313A232-K310 HydrophobicContact CB-CB 4.42Å; A232-K310 HydrophobicContact CB-CG 4.45Å; A232-K310 WeakPolarHBondContact CB-O 3.38Å; A232-K310 PolarHBondContact N-O 2.62Å; W233-K310 HydrophobicContact CD2-CB 4.17Å; W233-K310 HydrophobicContact CG-CB 4.22Å; W233-K310 HydrophobicContact CZ2-CB 4.14Å; W233-K310 VanDerWaalsContact NE1-CB 3.29Å; W233-K310 VanDerWaalsContact NE1-CD 3.29Å; W233-K310 PolarHBondContact O-N 2.95Å; K310-T313 WeakPolarHBondContact CA-O 3.37Å
311N84.9Confident95Very high7 Ų731.9 Ų31.94%0.03718%0.181CC..SBendtrans-137.155175.8-168.58.8000111.7I200 S227 R229 Q230 L231 T313I200-N311 HydrophobicContact CD1-CB 3.68Å; S227-N311 VanDerWaalsContact CB-ND2 3.26Å; S227-N311 WeakPolarHBondContact CB-ND2 3.27Å; S227-N311 PolarHBondContact OG-ND2 2.48Å; R229-N311 WeakPolarHBondContact CB-OD1 3.34Å; Q230-N311 PolarHBondContact O-OD1 2.85Å; L231-N311 HydrophobicContact CD2-CB 3.71Å; N311-T313 PolarHBondContact N-O 3.33Å; N311-T313 PolarHBondContact O-N 3.16Å
312G83.5Confident94.9Very high61 Ų6134.5 Ų34.563%0.62919%0.191SC*.SBendtrans80.8-46.9-166.700000112.2
313T86.7Confident94.8Very high57 Ų5732.9 Ų32.935%0.3518%0.177SC..SBendtrans-95.8157.6164460000110.4D190 K310 N311 H315D190-T313 WeakPolarHBondContact OD2-CB 3.39Å; D190-T313 PolarHBondContact OD2-OG1 2.77Å; K310-T313 WeakPolarHBondContact CA-O 3.37Å; N311-T313 PolarHBondContact N-O 3.33Å; N311-T313 PolarHBondContact O-N 3.16Å; T313-H315 PolarHBondContact OG1-NE2 2.86Å
314F92.2Very high94.7Very high100 Ų10032.7 Ų32.744%0.43918%0.176SC..EExtended strand (participates in β ladder)trans-103.1127.2177.5173.9-92.8000108.4W233 R308 E316W233-F314 HydrophobicContact CH2-CD2 4.35Å; W233-F314 AromaticContact CH2-CE2 3.8Å; W233-F314 HydrophobicContact CH2-CE2 3.8Å; W233-F314 HydrophobicContact CZ2-CD2 4.11Å; W233-F314 AromaticContact CZ2-CE2 3.97Å; W233-F314 HydrophobicContact CZ2-CE2 3.97Å; R308-F314 HydrophobicContact CB-CE2 4.13Å; R308-F314 HydrophobicContact CB-CZ 4.3Å; R308-F314 HydrophobicContact CG-CE2 4.15Å; R308-F314 HydrophobicContact CG-CZ 3.84Å; F314-E316 HydrophobicContact CE1-CB 3.92Å; F314-E316 HydrophobicContact CE1-CG 3.79Å; F314-E316 WeakPolarHBondContact CE1-OE2 3.46Å; F314-E316 HydrophobicContact CZ-CB 4.03Å; F314-E316 HydrophobicContact CZ-CG 4.28Å; F314-E316 VanDerWaalsContact CZ-OE2 3.31Å; F314-E316 WeakPolarHBondContact CZ-OE2 3.46Å
315H94.6Very high94.4Very high19 Ų1929.8 Ų29.89%0.08817%0.165CC..EExtended strand (participates in β ladder)trans-126.8141.7176.7-59.4-63.3000109.2F188 D190 L202 V309 T313F188-H315 HydrophobicContact CD1-CB 4.1Å; F188-H315 AromaticContact CD1-CG 3.89Å; F188-H315 AromaticContact CD1-ND1 3.36Å; F188-H315 WeakPolarHBondContact CD1-ND1 3.4Å; F188-H315 HydrophobicContact CD2-CB 3.98Å; F188-H315 HydrophobicContact CE1-CB 4.25Å; F188-H315 HydrophobicContact CE2-CB 4.14Å; F188-H315 HydrophobicContact CG-CB 3.96Å; F188-H315 AromaticContact CG-CG 3.73Å; F188-H315 AromaticContact CG-ND1 3.58Å; F188-H315 HydrophobicContact CZ-CB 4.27Å; D190-H315 IonicContact OD1-CE1 3.53Å; D190-H315 IonicContact OD2-CE1 2.9Å; D190-H315 PolarHBondContact OD2-CE1 3.4Å; D190-H315 VanDerWaalsContact OD2-CE1 3.32Å; D190-H315 IonicContact OD2-NE2 2.71Å; D190-H315 PolarHBondContact OD2-NE2 2.81Å; L202-H315 HydrophobicContact CD1-CB 4.43Å; V309-H315 HydrophobicContact CG2-CB 3.79Å; V309-H315 PolarHBondContact N-O 3.05Å; V309-H315 PolarHBondContact O-N 3.29Å; T313-H315 PolarHBondContact OG1-NE2 2.86Å
316E96.6Very high93.8Very high78 Ų7840.8 Ų40.836%0.36421%0.213SC..EExtended strand (participates in β ladder)trans-145.8143.9176.870.2178.5-172.400111.3L307 R308 F314L307-E316 VanDerWaalsContact O-CA 3.29Å; L307-E316 WeakPolarHBondContact O-CA 3.4Å; R308-E316 HydrophobicContact CG-CB 3.78Å; R308-E316 IonicContact CZ-OE2 2.76Å; R308-E316 IonicContact NE-OE2 3.95Å; R308-E316 PolarHBondContact NE-OE2 2.99Å; R308-E316 IonicContact NH2-OE2 3.19Å; R308-E316 PolarHBondContact NH2-OE2 2.87Å; F314-E316 HydrophobicContact CE1-CB 3.92Å; F314-E316 HydrophobicContact CE1-CG 3.79Å; F314-E316 WeakPolarHBondContact CE1-OE2 3.46Å; F314-E316 HydrophobicContact CZ-CB 4.03Å; F314-E316 HydrophobicContact CZ-CG 4.28Å; F314-E316 VanDerWaalsContact CZ-OE2 3.31Å; F314-E316 WeakPolarHBondContact CZ-OE2 3.46Å
317I98.1Very high93.5Very high5 Ų542.5 Ų42.53%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-121.9160.9164.359.8166.7000108.8H184 E186 F188 L202 L204 M306 L307H184-I317 WeakPolarHBondContact O-CD1 3.1Å; E186-I317 HydrophobicContact CB-CG2 3.54Å; F188-I317 HydrophobicContact CE2-CG2 3.89Å; F188-I317 HydrophobicContact CZ-CG2 3.74Å; L202-I317 HydrophobicContact CB-CD1 3.6Å; L202-I317 HydrophobicContact CB-CG1 3.83Å; L202-I317 HydrophobicContact CB-CG2 4.11Å; L202-I317 HydrophobicContact CD1-CG1 4.3Å; L202-I317 HydrophobicContact CD1-CG2 4.37Å; L204-I317 HydrophobicContact CB-CD1 3.74Å; L204-I317 HydrophobicContact CB-CG1 4.45Å; M306-I317 CarbonylContact C-O 3.54Å; M306-I317 VanDerWaalsContact CA-O 3.28Å; M306-I317 WeakPolarHBondContact CA-O 3.41Å; L307-I317 HydrophobicContact CB-CD1 4.44Å; L307-I317 HydrophobicContact CB-CG1 3.87Å; L307-I317 HydrophobicContact CD2-CD1 4.27Å; L307-I317 HydrophobicContact CD2-CG1 4.42Å; L307-I317 PolarHBondContact N-O 2.86Å; L307-I317 PolarHBondContact O-N 3.04Å
318G97.5Very high93.3Very high21 Ų2144.7 Ų44.722%0.21623%0.233CC..EExtended strand (participates in β ladder)trans-162.9162.617400000115.1H184 L305H184-G318 PolarHBondContact ND1-O 3.49Å; L305-G318 CarbonylContact O-C 3.56Å; L305-G318 WeakPolarHBondContact O-CA 3.46Å
319L97.7Very high93Very high4 Ų445 Ų452%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-116.3131.6175.5-68.7170.8000109.1S181 T182 H184 L204 T206 K304 L305 V321S181-L319 WeakPolarHBondContact O-CD2 3.22Å; T182-L319 WeakPolarHBondContact O-CD1 3.41Å; H184-L319 HydrophobicContact CB-CD2 3.75Å; H184-L319 HydrophobicContact CB-CG 4.15Å; L204-L319 HydrophobicContact CD2-CB 4.36Å; L204-L319 HydrophobicContact CD2-CD1 3.95Å; L204-L319 HydrophobicContact CD2-CG 3.95Å; L204-L319 HydrophobicContact CG-CD1 4.07Å; T206-L319 HydrophobicContact CG2-CD1 4.14Å; K304-L319 CarbonylContact C-O 3.59Å; K304-L319 VanDerWaalsContact CA-O 3.32Å; K304-L319 WeakPolarHBondContact CA-O 3.39Å; L305-L319 PolarHBondContact N-O 2.62Å; L305-L319 PolarHBondContact O-N 3.18Å; L319-V321 PolarHBondContact O-N 3.45Å
320P96.5Very high92.9Very high55 Ų5547.6 Ų47.636%0.35725%0.252SS..EExtended strand (participates in β ladder)trans-64.9134.8165.929.6-32.4000109.2L180L180-P320 HydrophobicContact CB-CG 4.39Å; L180-P320 HydrophobicContact CD1-CB 4.09Å; L180-P320 HydrophobicContact CD1-CG 4.03Å; L180-P320 HydrophobicContact CD2-CG 4.37Å; L180-P320 HydrophobicContact CG-CG 4.5Å
321V95.7Very high92.9Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-130.6148.9175.3-61.20000109.7W209 F211 L238 Y303 L305 L319 L323W209-V321 CarbonylContact O-C 3.56Å; W209-V321 VanDerWaalsContact O-CA 3.31Å; W209-V321 WeakPolarHBondContact O-CA 3.48Å; F211-V321 HydrophobicContact CD2-CB 4.34Å; F211-V321 HydrophobicContact CD2-CG2 4.22Å; F211-V321 HydrophobicContact CE2-CB 4.17Å; F211-V321 HydrophobicContact CE2-CG1 3.93Å; F211-V321 HydrophobicContact CE2-CG2 4.13Å; F211-V321 HydrophobicContact CZ-CG1 4.01Å; L238-V321 HydrophobicContact CD1-CG2 3.73Å; Y303-V321 PolarHBondContact O-N 2.77Å; L305-V321 HydrophobicContact CB-CG1 4.03Å; L319-V321 PolarHBondContact O-N 3.45Å; V321-L323 HydrophobicContact CG2-CD1 4.18Å
322Y95Very high93.4Very high60 Ų6047.3 Ų47.324%0.23526%0.256CS..EExtended strand (participates in β ladder)trans-103136.1172.5-68.7-17.2000110.9L174 L177 L180 W209 V210 F211 T292L174-Y322 HydrophobicContact CD2-CD2 3.79Å; L174-Y322 HydrophobicContact CD2-CG 4.27Å; L177-Y322 HydrophobicContact CB-CE2 4.28Å; L177-Y322 HydrophobicContact CD1-CD2 3.89Å; L177-Y322 HydrophobicContact CD1-CE2 3.36Å; L177-Y322 HydrophobicContact CG-CE2 4.44Å; L180-Y322 HydrophobicContact CD1-CE1 4.3Å; L180-Y322 HydrophobicContact CD1-CE2 4.36Å; W209-Y322 AromaticContact CE3-CD2 3.95Å; W209-Y322 HydrophobicContact CE3-CD2 3.95Å; W209-Y322 HydrophobicContact CE3-CE2 4.46Å; W209-Y322 AromaticContact CZ3-CD2 3.59Å; W209-Y322 HydrophobicContact CZ3-CD2 3.59Å; W209-Y322 AromaticContact CZ3-CE2 3.95Å; W209-Y322 HydrophobicContact CZ3-CE2 3.95Å; W209-Y322 PolarHBondContact O-N 3.16Å; V210-Y322 WeakPolarHBondContact CA-O 3.27Å; F211-Y322 PolarHBondContact N-O 2.98Å; T292-Y322 HydrophobicContact CG2-CD1 3.6Å; T292-Y322 HydrophobicContact CG2-CE1 3.88Å; T292-Y322 HydrophobicContact CG2-CG 4.23Å; T292-Y322 WeakPolarHBondContact OG1-CA 3.46Å
323L95.3Very high94.1Very high0 Ų046.4 Ų46.40%023%0.23CC..EExtended strand (participates in β ladder)trans-100.4121.7171.9-93.265.4000109.6F211 I213 V285 L289 P291 T292 Y303 V321F211-L323 HydrophobicContact CB-CD1 4.3Å; F211-L323 HydrophobicContact CD2-CD1 4.41Å; F211-L323 CarbonylContact O-C 3.53Å; F211-L323 VanDerWaalsContact O-CA 3.3Å; F211-L323 WeakPolarHBondContact O-CA 3.49Å; I213-L323 HydrophobicContact CG1-CD2 4.47Å; V285-L323 HydrophobicContact CG1-CD2 3.87Å; V285-L323 HydrophobicContact CG1-CG 4.43Å; L289-L323 HydrophobicContact CB-CD2 4.28Å; L289-L323 HydrophobicContact CD1-CD2 3.67Å; P291-L323 CarbonylContact C-O 3.48Å; P291-L323 VanDerWaalsContact CA-O 3.24Å; P291-L323 WeakPolarHBondContact CA-O 3.26Å; P291-L323 VanDerWaalsContact CB-O 3.22Å; P291-L323 WeakPolarHBondContact CB-O 3.11Å; T292-L323 PolarHBondContact N-O 3.13Å; T292-L323 PolarHBondContact OG1-N 2.71Å; Y303-L323 HydrophobicContact CD1-CD1 4.08Å; Y303-L323 HydrophobicContact CD1-CD2 3.94Å; Y303-L323 HydrophobicContact CD2-CB 4.03Å; Y303-L323 HydrophobicContact CD2-CD1 3.94Å; Y303-L323 HydrophobicContact CD2-CD2 4.14Å; Y303-L323 HydrophobicContact CD2-CG 4.25Å; Y303-L323 HydrophobicContact CE1-CD2 3.69Å; Y303-L323 HydrophobicContact CE2-CB 4.05Å; Y303-L323 HydrophobicContact CE2-CD2 3.94Å; Y303-L323 HydrophobicContact CE2-CG 4.4Å; Y303-L323 HydrophobicContact CG-CD1 3.7Å; Y303-L323 HydrophobicContact CG-CD2 4.16Å; Y303-L323 HydrophobicContact CG-CG 4.37Å; V321-L323 HydrophobicContact CG2-CD1 4.18Å
324A94.5Very high94.7Very high0 Ų045.5 Ų45.50%022%0.221CC..EExtended strand (participates in β ladder)trans-93151.617400000110.9T169 E171 L174 V210 F211 I213T169-A324 CarbonylContact O-C 3.55Å; T169-A324 VanDerWaalsContact O-CA 3.26Å; T169-A324 WeakPolarHBondContact O-CA 3.33Å; T169-A324 WeakPolarHBondContact O-CB 3.08Å; E171-A324 HydrophobicContact CG-CB 4.1Å; L174-A324 HydrophobicContact CD1-CB 3.65Å; V210-A324 HydrophobicContact CG1-CB 4.26Å; F211-A324 PolarHBondContact O-N 3.13Å; I213-A324 WeakPolarHBondContact CG1-O 3.43Å; I213-A324 PolarHBondContact N-O 2.68Å
325T92.6Very high94.9Very high19 Ų1941 Ų4112%0.11720%0.202CC..PPolyproline II helixtrans-69.9151.2160.749.80000109.9I166 A167 T169 P291I166-T325 HydrophobicContact CG2-CG2 3.92Å; A167-T325 WeakPolarHBondContact O-CG2 3.46Å; T169-T325 PolarHBondContact N-OG1 2.92Å; T169-T325 VanDerWaalsContact N-OG1 3.13Å; T169-T325 PolarHBondContact O-N 3.11Å; T169-T325 PolarHBondContact O-OG1 3.19Å; P291-T325 HydrophobicContact CB-CG2 4.11Å; P291-T325 HydrophobicContact CG-CG2 3.85Å
326K85Confident95Very high231 Ų23143 Ų43100%1.00421%0.213SC*.  trans-66.30170.7-170.9176-180-1800111.9T212T212-K326 HydrophobicContact CG2-CB 4.14Å; T212-K326 HydrophobicContact CG2-CG 4.5Å

Retrieved 326 of 326 residues in 173.8 ms (Link to these results)