A0A077ZH26_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZH26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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
1M35.5Very low39.9Very low234 Ų234148.3 Ų148.3100%1.15380%0.801SS**  083.40-67173.5165.300106.7
2Q31.4Very low40.1Very low174 Ų174140.8 Ų140.881%0.81379%0.785SS**  46.9104.871-128167.7-15.700106.3
3W37Very low40.6Very low240 Ų240136.2 Ų136.291%0.90977%0.767SS**  -140.6138.576.2-70.96.2000113.8
4S32.1Very low40.7Very low106 Ų106138.7 Ų138.774%0.74178%0.776SS**  trans-77.7128.8160.9-17.60000107.8
5S38.6Very low41Very low106 Ų106139.5 Ų139.574%0.74177%0.771SS**  trans-130.667.6168.5-550000109.2L7S5-L7 PolarHBondContact O-N 2.66Å
6T36.8Very low41.1Very low131 Ų131135.8 Ų135.880%0.80477%0.765SS**  trans-79.792.2156.8-5.30000106.2
7L42.5Very low41.4Very low139 Ų139134.7 Ų134.773%0.72876%0.762SS**  trans-117.989.5169.3-152.980.8000108.3S5 L9S5-L7 PolarHBondContact O-N 2.66Å; L7-L9 HydrophobicContact CD2-CD1 3.49Å; L7-L9 VanDerWaalsContact CD2-CD1 3.49Å; L7-L9 HydrophobicContact CD2-CG 4.04Å; L7-L9 HydrophobicContact CG-CD1 4.15Å; L7-L9 HydrophobicContact CG-CG 4.15Å; L7-L9 PolarHBondContact O-N 3.13Å
8L40.6Very low41.8Very low170 Ų170131.8 Ų131.889%0.8974%0.743SS**  trans-76.888.5163.5-84.3158.9000107.5
9L48.8Very low41.7Very low115 Ų115132.9 Ų132.960%0.60275%0.745SS**  trans-95.689.5164.7-88.2170.4000108.6L7 I11L7-L9 HydrophobicContact CD2-CD1 3.49Å; L7-L9 VanDerWaalsContact CD2-CD1 3.49Å; L7-L9 HydrophobicContact CD2-CG 4.04Å; L7-L9 HydrophobicContact CG-CD1 4.15Å; L7-L9 HydrophobicContact CG-CG 4.15Å; L7-L9 PolarHBondContact O-N 3.13Å; L9-I11 HydrophobicContact CB-CD1 4.37Å; L9-I11 HydrophobicContact CB-CG1 4.19Å; L9-I11 HydrophobicContact CD1-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CG1 4.15Å; L9-I11 PolarHBondContact O-N 2.81Å
10A40.5Very low42.3Very low104 Ų104131 Ų13186%0.8673%0.728SS**  trans-72.876.5159.100000108.2G12A10-G12 PolarHBondContact O-N 2.73Å
11I55.2Low42.7Very low112 Ų112129 Ų12957%0.57472%0.724SS**  trans-78.1104.6167.9-64.4171.6000105.9L9 C13L9-I11 HydrophobicContact CB-CD1 4.37Å; L9-I11 HydrophobicContact CB-CG1 4.19Å; L9-I11 HydrophobicContact CD1-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CD1 4.4Å; L9-I11 HydrophobicContact CD2-CG1 4.15Å; L9-I11 PolarHBondContact O-N 2.81Å; I11-C13 PolarHBondContact O-N 2.94Å; I11-C13 VanDerWaalsContact O-N 3.09Å
12G42.1Very low43.6Very low59 Ų59123.2 Ų123.261%0.60870%0.698SS**  trans-51.9117172.800000110A10 L14A10-G12 PolarHBondContact O-N 2.73Å; G12-L14 PolarHBondContact O-N 3.21Å
13C46.3Very low45.2Very low81 Ų81120.2 Ų120.255%0.54768%0.684SS.*  trans-62.687.6163.3-80.60000108.1I11 Q15I11-C13 PolarHBondContact O-N 2.94Å; I11-C13 VanDerWaalsContact O-N 3.09Å; C13-Q15 VanDerWaalsContact C-N 3.26Å; C13-Q15 PolarHBondContact O-N 3.22Å
14L42.9Very low46.9Very low171 Ų171110.1 Ų110.190%0.89565%0.649SS**  trans-63.794.1160.5-95.3137.6000107G12 A16G12-L14 PolarHBondContact O-N 3.21Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 3.26Å
15Q45.2Very low49.3Very low151 Ų151109.3 Ų109.371%0.70663%0.632SS**  trans-72.390.8164.3-66.7-150.7-33.300107.5C13 T17C13-Q15 VanDerWaalsContact C-N 3.26Å; C13-Q15 PolarHBondContact O-N 3.22Å; Q15-T17 PolarHBondContact O-N 2.91Å; Q15-T17 VanDerWaalsContact O-N 3.1Å
16A42.4Very low51.5Low80 Ų80105.4 Ų105.466%0.66160%0.604SS**  trans-74.587.3157.200000107L14 I18L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 3.26Å; A16-I18 HydrophobicContact CB-CG1 4.15Å; A16-I18 PolarHBondContact O-N 2.9Å
17T45.3Very low53.7Low117 Ų117103 Ų10372%0.71859%0.593SS**  trans-69.385164.516.70000107.6Q15 I19Q15-T17 PolarHBondContact O-N 2.91Å; Q15-T17 VanDerWaalsContact O-N 3.1Å; T17-I19 PolarHBondContact O-N 3.3Å
18I48.9Very low55.8Low83 Ų8399.6 Ų99.643%0.42658%0.575SS.*  trans-80.1104175-44.2170.8000107.9A16 F20A16-I18 HydrophobicContact CB-CG1 4.15Å; A16-I18 PolarHBondContact O-N 2.9Å; I18-F20 VanDerWaalsContact C-N 3.28Å; I18-F20 HydrophobicContact CB-CD2 3.47Å; I18-F20 VanDerWaalsContact CB-CD2 3.47Å; I18-F20 HydrophobicContact CB-CE2 3.46Å; I18-F20 VanDerWaalsContact CB-CE2 3.46Å; I18-F20 HydrophobicContact CB-CG 4.36Å; I18-F20 HydrophobicContact CB-CZ 4.31Å; I18-F20 HydrophobicContact CD1-CD2 4.4Å; I18-F20 HydrophobicContact CD1-CE2 3.59Å; I18-F20 HydrophobicContact CD1-CZ 4.29Å; I18-F20 HydrophobicContact CG1-CE2 4.1Å; I18-F20 HydrophobicContact CG2-CD1 4.13Å; I18-F20 HydrophobicContact CG2-CD2 3.23Å; I18-F20 HydrophobicContact CG2-CE1 3.97Å; I18-F20 HydrophobicContact CG2-CE2 3.06Å; I18-F20 HydrophobicContact CG2-CG 3.77Å; I18-F20 HydrophobicContact CG2-CZ 3.44Å; I18-F20 VanDerWaalsContact CG2-CZ 3.44Å; I18-F20 PolarHBondContact O-N 3.42Å
19I40.6Very low58.2Low152 Ų15295.6 Ų95.678%0.77955%0.55SS**  trans-66.887.2172.7-57.6173.6000107.5T17T17-I19 PolarHBondContact O-N 3.3Å
20F52.9Low60.3Low94 Ų9493.6 Ų93.641%0.41255%0.546SS..  trans-99.25.5-173.7-95.5-55.7000115.2I18 D22 S24I18-F20 VanDerWaalsContact C-N 3.28Å; I18-F20 HydrophobicContact CB-CD2 3.47Å; I18-F20 VanDerWaalsContact CB-CD2 3.47Å; I18-F20 HydrophobicContact CB-CE2 3.46Å; I18-F20 VanDerWaalsContact CB-CE2 3.46Å; I18-F20 HydrophobicContact CB-CG 4.36Å; I18-F20 HydrophobicContact CB-CZ 4.31Å; I18-F20 HydrophobicContact CD1-CD2 4.4Å; I18-F20 HydrophobicContact CD1-CE2 3.59Å; I18-F20 HydrophobicContact CD1-CZ 4.29Å; I18-F20 HydrophobicContact CG1-CE2 4.1Å; I18-F20 HydrophobicContact CG2-CD1 4.13Å; I18-F20 HydrophobicContact CG2-CD2 3.23Å; I18-F20 HydrophobicContact CG2-CE1 3.97Å; I18-F20 HydrophobicContact CG2-CE2 3.06Å; I18-F20 HydrophobicContact CG2-CG 3.77Å; I18-F20 HydrophobicContact CG2-CZ 3.44Å; I18-F20 VanDerWaalsContact CG2-CZ 3.44Å; I18-F20 PolarHBondContact O-N 3.42Å; F20-D22 PolarHBondContact O-N 3.45Å; F20-S24 WeakPolarHBondContact O-CB 3.21Å; F20-S24 PolarHBondContact O-N 2.8Å; F20-S24 PolarHBondContact O-OG 2.87Å
21S51.6Low62.9Low90 Ų9090.1 Ų90.163%0.62952%0.515SS*.THydrogen-bonded Turntrans-69.2-33-161.371.10000115.1
22D53.7Low64.8Low113 Ų11386.9 Ų86.960%0.60450%0.502SS*.THydrogen-bonded Turntrans-107.5-19.8-178.4-97.7-9.9000115.2F20 K25F20-D22 PolarHBondContact O-N 3.45Å; D22-K25 WeakPolarHBondContact OD1-CE 3.14Å; D22-K25 IonicContact OD1-NZ 3.71Å; D22-K25 PolarHBondContact OD1-NZ 3.29Å
23E64.7Low67.2Low111 Ų11184.4 Ų84.452%0.51948%0.476SS..THydrogen-bonded Turntrans-85.1-12.6175.6-61.3-163.2152.600113.3F154E23-F154 WeakPolarHBondContact O-CE2 3.4Å
24S72.4Confident69.5Low27 Ų2783.9 Ų83.919%0.18946%0.463CS..THydrogen-bonded Turntrans-86.3-2.5-176.161.20000114.9F20 F154 K203 A204F20-S24 WeakPolarHBondContact O-CB 3.21Å; F20-S24 PolarHBondContact O-N 2.8Å; F20-S24 PolarHBondContact O-OG 2.87Å; S24-F154 WeakPolarHBondContact O-CZ 3.44Å; S24-K203 CarbonylContact O-C 3.58Å; S24-K203 WeakPolarHBondContact O-CA 3.01Å; S24-K203 WeakPolarHBondContact O-CB 3.08Å; S24-A204 PolarHBondContact O-N 3.31Å; S24-A204 VanDerWaalsContact O-N 3.12Å
25K84.1Confident71.8Confident89 Ų8979.8 Ų79.839%0.38744%0.439SS..EExtended strand (participates in β ladder)trans-134.7149.3179.266.3-169.1174.9-164.50112.1D22 Y197 K203D22-K25 WeakPolarHBondContact OD1-CE 3.14Å; D22-K25 IonicContact OD1-NZ 3.71Å; D22-K25 PolarHBondContact OD1-NZ 3.29Å; K25-Y197 HydrophobicContact CB-CD1 4.38Å; K25-Y197 HydrophobicContact CD-CE1 4.33Å; K25-K203 HydrophobicContact CB-CB 4.35Å
26V85.3Confident73.8Confident24 Ų2474.7 Ų74.715%0.14541%0.414CS..EExtended strand (participates in β ladder)trans-144.5147.7172.369.90000112.3F154 F156 A169 G201 I202V26-F154 HydrophobicContact CB-CD2 3.8Å; V26-F154 HydrophobicContact CB-CE2 3.84Å; V26-F154 HydrophobicContact CB-CG 4.31Å; V26-F154 HydrophobicContact CB-CZ 4.38Å; V26-F154 HydrophobicContact CG1-CB 4.21Å; V26-F154 HydrophobicContact CG1-CD1 3.95Å; V26-F154 HydrophobicContact CG1-CD2 3.67Å; V26-F154 HydrophobicContact CG1-CE1 4.23Å; V26-F154 HydrophobicContact CG1-CE2 3.97Å; V26-F154 HydrophobicContact CG1-CG 3.65Å; V26-F154 HydrophobicContact CG1-CZ 4.24Å; V26-F156 HydrophobicContact CB-CZ 4.13Å; V26-F156 HydrophobicContact CG1-CE1 4.08Å; V26-F156 HydrophobicContact CG1-CZ 3.59Å; V26-F156 HydrophobicContact CG2-CE1 4.16Å; V26-F156 HydrophobicContact CG2-CZ 3.56Å; V26-A169 HydrophobicContact CG1-CB 4.18Å; V26-G201 WeakPolarHBondContact O-CA 3.29Å; V26-I202 HydrophobicContact CG1-CG1 3.88Å; V26-I202 PolarHBondContact N-O 3.18Å; V26-I202 VanDerWaalsContact N-O 3.12Å; V26-I202 PolarHBondContact O-N 2.89Å
27S81.9Confident76Confident81 Ų8173.5 Ų73.557%0.56640%0.4SS*.  trans-105.3161.1178.659.60000112.8
28L86.9Confident77.6Confident67 Ų6769.2 Ų69.235%0.35137%0.371SS..  trans-63.9136174-164.379.1000110.4I166L28-I166 HydrophobicContact CD1-CG2 3.37Å; L28-I166 HydrophobicContact CD2-CG2 3.86Å; L28-I166 HydrophobicContact CG-CG2 3.6Å
29K90.4Very high78.7Confident87 Ų8769.8 Ų69.838%0.37838%0.383SS..EExtended strand (participates in β ladder)trans-114.7140.2165.3-63.6-163.7-174.6-174.90109.8S116 F117 I166 Q167K29-S116 WeakPolarHBondContact CD-OG 3.45Å; K29-S116 PolarHBondContact NZ-OG 3.42Å; K29-F117 HydrophobicContact CB-CZ 4.32Å; K29-I166 CarbonylContact O-C 3.51Å; K29-I166 WeakPolarHBondContact O-CA 3.43Å; K29-Q167 HydrophobicContact CB-CB 4.4Å; K29-Q167 HydrophobicContact CB-CG 4.48Å; K29-Q167 PolarHBondContact O-N 2.97Å
30S93.1Very high80.1Confident72 Ų7269 Ų6950%0.50337%0.374SS..EExtended strand (participates in β ladder)trans-139.1150.5176.7570000110.7V165S30-V165 CarbonylContact C-O 3.49Å; S30-V165 VanDerWaalsContact CA-O 3.24Å; S30-V165 WeakPolarHBondContact CA-O 3.09Å
31S94.9Very high81Confident32 Ų3269.2 Ų69.222%0.22438%0.378CS..EExtended strand (participates in β ladder)trans-151.9164.9169.7-162.60000110.8F117 Y119 I132 T164 V165S31-F117 VanDerWaalsContact CB-CE2 3.44Å; S31-Y119 WeakPolarHBondContact CB-OH 3.2Å; S31-Y119 PolarHBondContact OG-OH 2.86Å; S31-I132 VanDerWaalsContact C-CD1 3.46Å; S31-I132 WeakPolarHBondContact O-CD1 3.35Å; S31-T164 CarbonylContact O-C 3.52Å; S31-T164 VanDerWaalsContact O-CA 3.29Å; S31-T164 WeakPolarHBondContact O-CA 3.18Å; S31-T164 WeakPolarHBondContact O-CG2 3.29Å; S31-V165 PolarHBondContact N-O 3.37Å; S31-V165 PolarHBondContact O-N 3.35Å
32S94.6Very high82.2Confident43 Ų4366.1 Ų66.130%0.30135%0.354SS..EExtended strand (participates in β ladder)trans-112.8149.4-174-58.50000112.8Y34 Y119 N163S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.42Å; S32-Y119 PolarHBondContact O-OH 2.96Å; S32-N163 CarbonylContact C-O 3.43Å; S32-N163 WeakPolarHBondContact CA-O 3.35Å
33S93.2Very high83.1Confident7 Ų765 Ų655%0.04935%0.351CS..  trans-88.1154167.2-56.70000110.2L130 I132 N163S33-L130 WeakPolarHBondContact CA-O 3.5Å; S33-I132 PolarHBondContact OG-N 3.27Å; S33-N163 PolarHBondContact N-O 3.02Å; S33-N163 PolarHBondContact OG-O 3.06Å
34Y93.7Very high83.7Confident70 Ų7068.7 Ų68.728%0.27537%0.368SS..EExtended strand (participates in β ladder)trans-126.5142.5-177.3-54.1-85.7000110.6S32 Y79 S129 L130S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.42Å; Y34-Y79 HydrophobicContact CD1-CD1 4.17Å; Y34-Y79 AromaticContact CD1-CD2 3.86Å; Y34-Y79 HydrophobicContact CD1-CD2 3.86Å; Y34-Y79 AromaticContact CD1-CE1 3.91Å; Y34-Y79 HydrophobicContact CD1-CE1 3.91Å; Y34-Y79 AromaticContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CG 4.15Å; Y34-Y79 AromaticContact CD1-CZ 3.62Å; Y34-Y79 AromaticContact CD2-CD1 3.89Å; Y34-Y79 HydrophobicContact CD2-CD1 3.89Å; Y34-Y79 AromaticContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CG 4.37Å; Y34-Y79 HydrophobicContact CE1-CD1 4.34Å; Y34-Y79 HydrophobicContact CE1-CD2 4.36Å; Y34-Y79 AromaticContact CE1-CE1 3.63Å; Y34-Y79 HydrophobicContact CE1-CE1 3.63Å; Y34-Y79 AromaticContact CE1-CE2 3.67Å; Y34-Y79 HydrophobicContact CE1-CE2 3.67Å; Y34-Y79 AromaticContact CE1-CZ 3.25Å; Y34-Y79 VanDerWaalsContact CE1-OH 3.31Å; Y34-Y79 WeakPolarHBondContact CE1-OH 3.26Å; Y34-Y79 HydrophobicContact CE2-CD1 4.07Å; Y34-Y79 AromaticContact CE2-CE1 3.68Å; Y34-Y79 HydrophobicContact CE2-CE1 3.68Å; Y34-Y79 AromaticContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD2 4.14Å; Y34-Y79 HydrophobicContact CG-CE1 4.06Å; Y34-Y79 HydrophobicContact CG-CE2 4.26Å; Y34-Y79 AromaticContact CG-CG 3.98Å; Y34-Y79 HydrophobicContact CG-CG 3.98Å; Y34-Y79 AromaticContact CZ-CE1 3.5Å; Y34-Y79 VanDerWaalsContact CZ-CE1 3.5Å; Y34-Y79 AromaticContact CZ-CZ 3.57Å; Y34-S129 CarbonylContact O-C 3.59Å; Y34-S129 VanDerWaalsContact O-CA 3.28Å; Y34-S129 WeakPolarHBondContact O-CA 3.49Å; Y34-L130 HydrophobicContact CD2-CD2 4.31Å; Y34-L130 PolarHBondContact N-O 2.04Å; Y34-L130 PolarHBondContact O-N 2.9Å
35H91.5Very high84.3Confident85 Ų8571.4 Ų71.439%0.39437%0.374SS..EExtended strand (participates in β ladder)trans-132.2141.3-173.7-55.2-80.2000110.6S129 E131 N163H35-S129 WeakPolarHBondContact ND1-CB 3.29Å; H35-E131 IonicContact CE1-OE1 2.66Å; H35-N163 PolarHBondContact NE2-OD1 2.95Å
36Y88.9Confident84.5Confident45 Ų4567.2 Ų67.218%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-125.9113.5171.3-167.6-74.2000109.9F80 L82 P96 A127 I128Y36-F80 AromaticContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CE2 4.39Å; Y36-F80 HydrophobicContact CG-CD2 4.28Å; Y36-L82 HydrophobicContact CD1-CD2 4.47Å; Y36-L82 HydrophobicContact CD2-CD2 4.07Å; Y36-L82 HydrophobicContact CE1-CD2 4.17Å; Y36-L82 HydrophobicContact CE2-CD1 3.9Å; Y36-L82 HydrophobicContact CE2-CD2 3.74Å; Y36-L82 HydrophobicContact CE2-CG 4.49Å; Y36-L82 HydrophobicContact CG-CD2 4.42Å; Y36-P96 HydrophobicContact CD1-CB 4.31Å; Y36-P96 VanDerWaalsContact CD1-CD 3.49Å; Y36-P96 HydrophobicContact CD1-CG 3.48Å; Y36-P96 VanDerWaalsContact CD1-CG 3.48Å; Y36-P96 HydrophobicContact CE1-CG 4.12Å; Y36-P96 HydrophobicContact CG-CG 4.04Å; Y36-A127 VanDerWaalsContact O-CA 3.25Å; Y36-A127 WeakPolarHBondContact O-CA 3.3Å; Y36-A127 WeakPolarHBondContact O-CB 3.28Å; Y36-I128 PolarHBondContact N-O 3.03Å; Y36-I128 PolarHBondContact O-N 2.74Å
37S86.7Confident84.8Confident55 Ų5569 Ų6939%0.38536%0.362SS..EExtended strand (participates in β ladder)trans-78.5133.5177-178.80000111.5S39S37-S39 PolarHBondContact O-N 3.43Å; S37-S39 WeakPolarHBondContact OG-CB 3.44Å; S37-S39 PolarHBondContact OG-N 3Å; S37-S39 PolarHBondContact OG-OG 3.34Å
38Y80.7Confident85.2Confident26 Ų2667.2 Ų67.210%0.10234%0.343CS..THydrogen-bonded Turntrans-69.4-6.2167.7-61-55.4000112.1K40 K93 V95 P96 Q123 G126 A127Y38-K40 PolarHBondContact O-N 3.49Å; Y38-K93 WeakPolarHBondContact O-CE 3.13Å; Y38-K93 PolarHBondContact O-NZ 2.95Å; Y38-V95 HydrophobicContact CD1-CG1 4.09Å; Y38-V95 HydrophobicContact CE1-CG1 3.69Å; Y38-P96 HydrophobicContact CD1-CG 3.9Å; Y38-P96 HydrophobicContact CE1-CG 3.33Å; Y38-Q123 PolarHBondContact OH-NE2 3.08Å; Y38-G126 VanDerWaalsContact CB-O 3.28Å; Y38-G126 WeakPolarHBondContact CB-O 3.27Å; Y38-G126 VanDerWaalsContact CD2-O 3.23Å; Y38-G126 WeakPolarHBondContact CD2-O 3.13Å; Y38-G126 PolarHBondContact N-O 2.75Å; Y38-A127 VanDerWaalsContact CE2-C 3.42Å; Y38-A127 WeakPolarHBondContact CE2-O 3.33Å
39S70.4Confident85.4Confident95 Ų9568.5 Ų68.566%0.66435%0.345SS*.THydrogen-bonded Turntrans-72.3-9-172.359.40000115.3S37 I41S37-S39 PolarHBondContact O-N 3.43Å; S37-S39 WeakPolarHBondContact OG-CB 3.44Å; S37-S39 PolarHBondContact OG-N 3Å; S37-S39 PolarHBondContact OG-OG 3.34Å; S39-I41 PolarHBondContact O-N 3.3Å; S39-I41 VanDerWaalsContact O-N 3.09Å
40K70.2Confident85.3Confident137 Ų13770.3 Ų70.360%0.59635%0.351SS*.  trans-78.594.6177.1-66.4-172.6178.5-173.50110.9Y38Y38-K40 PolarHBondContact O-N 3.49Å
41I71.8Confident85.1Confident97 Ų9771.6 Ų71.650%0.49735%0.349SS..  trans-86.9125.7162-60.2174.6000106.8S39 V43 A91S39-I41 PolarHBondContact O-N 3.3Å; S39-I41 VanDerWaalsContact O-N 3.09Å; I41-V43 HydrophobicContact CG2-CG2 4.47Å; I41-A91 HydrophobicContact CG2-CB 3.96Å
42E76.8Confident84.8Confident26 Ų2680 Ų8012%0.12138%0.381CS..BIsolated β-bridgetrans-115.1100.1-174.4-62.1178.1152.300108.8R45 V92E42-R45 HydrophobicContact CB-CB 3.95Å; E42-R45 HydrophobicContact CB-CG 4.2Å; E42-R45 IonicContact OE1-CZ 2.57Å; E42-R45 IonicContact OE1-NE 2.67Å; E42-R45 IonicContact OE1-NH1 3.63Å; E42-R45 PolarHBondContact OE1-NH1 3.02Å; E42-R45 WeakPolarHBondContact OE2-CD 3.14Å; E42-R45 IonicContact OE2-NH1 3.26Å; E42-V92 PolarHBondContact N-O 2.78Å; E42-V92 VanDerWaalsContact N-O 3.13Å; E42-V92 PolarHBondContact O-N 2.77Å
43V73.2Confident84.3Confident90 Ų9087.5 Ų87.555%0.54541%0.408SS..SBendtrans-77.8-26.7-180-175.50000111.3I41 V46 A91I41-V43 HydrophobicContact CG2-CG2 4.47Å; V43-V46 WeakPolarHBondContact O-CG2 3.13Å; V43-A91 HydrophobicContact CG2-CB 4.33Å
44E78.3Confident84Confident187 Ų18791.5 Ų91.587%0.87443%0.433SS*.SBendtrans-88.1-19.8-178-64.5-176.9165.800113.6V46E44-V46 VanDerWaalsContact C-N 3.26Å; E44-V46 PolarHBondContact O-N 3.14Å
45R84.6Confident83.6Confident84 Ų8495.5 Ų95.532%0.31745%0.447SS..  trans-95.936.4-174.2-60.4-171.6-173-171.7-18.6112.8E42 C61 I62 D64 V92E42-R45 HydrophobicContact CB-CB 3.95Å; E42-R45 HydrophobicContact CB-CG 4.2Å; E42-R45 IonicContact OE1-CZ 2.57Å; E42-R45 IonicContact OE1-NE 2.67Å; E42-R45 IonicContact OE1-NH1 3.63Å; E42-R45 PolarHBondContact OE1-NH1 3.02Å; E42-R45 WeakPolarHBondContact OE2-CD 3.14Å; E42-R45 IonicContact OE2-NH1 3.26Å; R45-C61 CarbonylContact O-C 3.6Å; R45-C61 WeakPolarHBondContact O-CA 3.36Å; R45-I62 PolarHBondContact O-N 2.03Å; R45-D64 IonicContact CZ-OD1 2.61Å; R45-D64 IonicContact NH1-OD1 3.75Å; R45-D64 PolarHBondContact NH1-OD1 3.09Å; R45-D64 IonicContact NH1-OD2 2.87Å; R45-D64 IonicContact NH2-OD1 2.66Å; R45-D64 PolarHBondContact NH2-OD1 3.01Å; R45-V92 WeakPolarHBondContact O-CG2 3.44Å
46V87.5Confident83.4Confident2 Ų294.4 Ų94.41%0.01245%0.447CS..EExtended strand (participates in β ladder)trans-92.4125.6-179.9-175.60000108.9V43 E44 W48 A58 I62 T90 V92V43-V46 WeakPolarHBondContact O-CG2 3.13Å; E44-V46 VanDerWaalsContact C-N 3.26Å; E44-V46 PolarHBondContact O-N 3.14Å; V46-W48 HydrophobicContact CB-CZ2 4.07Å; V46-W48 HydrophobicContact CG1-CD2 4.05Å; V46-W48 HydrophobicContact CG1-CG 4.44Å; V46-W48 HydrophobicContact CG1-CH2 4.39Å; V46-W48 HydrophobicContact CG1-CZ2 3.74Å; V46-W48 PolarHBondContact O-NE1 3.19Å; V46-A58 HydrophobicContact CG1-CB 3.42Å; V46-A58 VanDerWaalsContact CG1-CB 3.42Å; V46-I62 WeakPolarHBondContact O-CD1 3.46Å; V46-T90 WeakPolarHBondContact CG2-O 3.47Å; V46-V92 HydrophobicContact CB-CG1 4.39Å; V46-V92 HydrophobicContact CG1-CG1 4.03Å; V46-V92 HydrophobicContact CG2-CB 4.45Å; V46-V92 HydrophobicContact CG2-CG1 3.96Å; V46-V92 HydrophobicContact CG2-CG2 3.94Å
47F92.4Very high83.4Confident61 Ų6195.2 Ų95.227%0.26846%0.456SS..EExtended strand (participates in β ladder)trans-83.2117.4171.2-177.9-146.6000109I59 G60 I62 S68 L70F47-I59 HydrophobicContact CB-CG1 4.46Å; F47-I59 HydrophobicContact CD1-CD1 3.69Å; F47-I59 HydrophobicContact CD1-CG1 3.63Å; F47-I59 HydrophobicContact CE1-CD1 3.46Å; F47-I59 VanDerWaalsContact CE1-CD1 3.46Å; F47-I59 HydrophobicContact CE1-CG1 3.97Å; F47-I59 HydrophobicContact CE2-CD1 4.39Å; F47-I59 HydrophobicContact CG-CD1 4.26Å; F47-I59 HydrophobicContact CG-CG1 3.99Å; F47-I59 HydrophobicContact CZ-CD1 3.84Å; F47-I59 VanDerWaalsContact O-CG1 3.29Å; F47-I59 WeakPolarHBondContact O-CG1 3.43Å; F47-I59 PolarHBondContact O-N 2.84Å; F47-G60 PolarHBondContact N-O 2.88Å; F47-G60 PolarHBondContact O-N 2.74Å; F47-I62 HydrophobicContact CB-CG1 3.89Å; F47-S68 WeakPolarHBondContact CE1-OG 3.29Å; F47-L70 HydrophobicContact CD1-CD2 4.36Å; F47-L70 HydrophobicContact CE1-CD2 4.17Å
48W90.4Very high83.7Confident43 Ų4392.8 Ų92.816%0.16344%0.44CS..EExtended strand (participates in β ladder)trans-102.2139.2-175.7-64.492.9000111.4V46 Y50 R55 A58 D89 T90V46-W48 HydrophobicContact CB-CZ2 4.07Å; V46-W48 HydrophobicContact CG1-CD2 4.05Å; V46-W48 HydrophobicContact CG1-CG 4.44Å; V46-W48 HydrophobicContact CG1-CH2 4.39Å; V46-W48 HydrophobicContact CG1-CZ2 3.74Å; V46-W48 PolarHBondContact O-NE1 3.19Å; W48-Y50 HydrophobicContact CB-CD2 4.4Å; W48-Y50 HydrophobicContact CB-CE2 3.83Å; W48-Y50 WeakPolarHBondContact O-CD2 3.33Å; W48-R55 HydrophobicContact CB-CB 4.44Å; W48-R55 HydrophobicContact CB-CG 4.11Å; W48-R55 HydrophobicContact CD2-CB 4.26Å; W48-R55 HydrophobicContact CD2-CG 4.33Å; W48-R55 HydrophobicContact CE3-CB 4.13Å; W48-R55 HydrophobicContact CG-CB 4.4Å; W48-R55 HydrophobicContact CG-CG 4.05Å; W48-A58 HydrophobicContact CE3-CB 4.29Å; W48-A58 HydrophobicContact CH2-CB 4.4Å; W48-A58 HydrophobicContact CZ3-CB 4.11Å; W48-D89 WeakPolarHBondContact CH2-O 3.41Å; W48-T90 HydrophobicContact CH2-CG2 4.21Å
49K91.2Very high84.3Confident94 Ų9493.8 Ų93.841%0.40945%0.446SS..EExtended strand (participates in β ladder)trans-76138.5160.3-167-173.7-176.8-1560108.7E51 T56 V57 I59K49-E51 WeakPolarHBondContact CE-OE1 3.21Å; K49-E51 IonicContact NZ-OE1 3.1Å; K49-E51 PolarHBondContact NZ-OE1 2.65Å; K49-T56 PolarHBondContact O-N 3.45Å; K49-T56 PolarHBondContact O-OG1 3.3Å; K49-T56 VanDerWaalsContact O-OG1 3.13Å; K49-V57 HydrophobicContact CB-CG1 3.94Å; K49-V57 HydrophobicContact CD-CG1 4.19Å; K49-V57 PolarHBondContact N-O 3.37Å; K49-I59 HydrophobicContact CB-CD1 4.2Å; K49-I59 HydrophobicContact CB-CG2 3.84Å
50Y87.3Confident85.5Confident126 Ų12689.2 Ų89.249%0.49441%0.414SS..EExtended strand (participates in β ladder)trans-114.6130.5176-69.7-97.4000110.2W48 T54 R55W48-Y50 HydrophobicContact CB-CD2 4.4Å; W48-Y50 HydrophobicContact CB-CE2 3.83Å; W48-Y50 WeakPolarHBondContact O-CD2 3.33Å; Y50-T54 WeakPolarHBondContact CA-O 3.3Å; Y50-R55 HydrophobicContact CD1-CG 4.09Å; Y50-R55 HydrophobicContact CE1-CB 4.4Å; Y50-R55 HydrophobicContact CE1-CG 3.35Å; Y50-R55 PolarHBondContact OH-NE 3.13Å; Y50-R55 VanDerWaalsContact OH-NE 3.08Å
51E88.9Confident86.6Confident98 Ų9882.7 Ų82.746%0.45839%0.386SS..EExtended strand (participates in β ladder)trans-124.4127.5169.3-61.3178.9-179.400107.8K49 K53 T54 T56K49-E51 WeakPolarHBondContact CE-OE1 3.21Å; K49-E51 IonicContact NZ-OE1 3.1Å; K49-E51 PolarHBondContact NZ-OE1 2.65Å; E51-K53 PolarHBondContact O-N 3.09Å; E51-K53 VanDerWaalsContact O-N 3.14Å; E51-T54 PolarHBondContact N-O 2.88Å; E51-T54 PolarHBondContact O-N 2.9Å; E51-T56 HydrophobicContact CB-CG2 3.68Å; E51-T56 HydrophobicContact CG-CG2 3.86Å
52K89.5Confident87.6Confident208 Ų20880.8 Ų80.890%0.90438%0.376SS*.THydrogen-bonded Turntrans50.338.3-175.5-57.5-179.3-179.7178.40113.6T54K52-T54 PolarHBondContact O-N 3.07Å
53K83.7Confident88.3Confident201 Ų20180 Ų8087%0.87437%0.373SS*.THydrogen-bonded Turntrans67.69.6-177.4-54.7178.5177.4178.60115.5E51E51-K53 PolarHBondContact O-N 3.09Å; E51-K53 VanDerWaalsContact O-N 3.14Å
54T85.8Confident88.9Confident91 Ų9182 Ų8256%0.55838%0.381SS*.EExtended strand (participates in β ladder)trans-101.7136.3175-51.20000110.1Y50 E51 K52 T56Y50-T54 WeakPolarHBondContact CA-O 3.3Å; E51-T54 PolarHBondContact N-O 2.88Å; E51-T54 PolarHBondContact O-N 2.9Å; K52-T54 PolarHBondContact O-N 3.07Å; T54-T56 PolarHBondContact O-N 2.74Å
55R85.2Confident89.5Confident155 Ų15576.6 Ų76.659%0.58536%0.363SS*.EExtended strand (participates in β ladder)trans-64.3118.3171.2-69.3-179.8-179.1173.51.8108.5W48 Y50W48-R55 HydrophobicContact CB-CB 4.44Å; W48-R55 HydrophobicContact CB-CG 4.11Å; W48-R55 HydrophobicContact CD2-CB 4.26Å; W48-R55 HydrophobicContact CD2-CG 4.33Å; W48-R55 HydrophobicContact CE3-CB 4.13Å; W48-R55 HydrophobicContact CG-CB 4.4Å; W48-R55 HydrophobicContact CG-CG 4.05Å; Y50-R55 HydrophobicContact CD1-CG 4.09Å; Y50-R55 HydrophobicContact CE1-CB 4.4Å; Y50-R55 HydrophobicContact CE1-CG 3.35Å; Y50-R55 PolarHBondContact OH-NE 3.13Å; Y50-R55 VanDerWaalsContact OH-NE 3.08Å
56T87.6Confident89.8Confident62 Ų6275.3 Ų75.338%0.3838%0.376SS..EExtended strand (participates in β ladder)trans-101.9-56.4-177.253.20000112.1K49 E51 T54K49-T56 PolarHBondContact O-N 3.45Å; K49-T56 PolarHBondContact O-OG1 3.3Å; K49-T56 VanDerWaalsContact O-OG1 3.13Å; E51-T56 HydrophobicContact CB-CG2 3.68Å; E51-T56 HydrophobicContact CG-CG2 3.86Å; T54-T56 PolarHBondContact O-N 2.74Å
57V90Very high90Very high61 Ų6180.7 Ų80.737%0.3740%0.401SS..EExtended strand (participates in β ladder)trans-144.6139.2-175.571.90000110.7K49 I59K49-V57 HydrophobicContact CB-CG1 3.94Å; K49-V57 HydrophobicContact CD-CG1 4.19Å; K49-V57 PolarHBondContact N-O 3.37Å; V57-I59 HydrophobicContact CG1-CG2 3.84Å; V57-I59 PolarHBondContact O-N 2.82Å
58A91.5Very high90Very high5 Ų580.5 Ų80.54%0.04141%0.407CS..EExtended strand (participates in β ladder)trans-63.1131166.800000108.7V46 W48 F71 D89V46-A58 HydrophobicContact CG1-CB 3.42Å; V46-A58 VanDerWaalsContact CG1-CB 3.42Å; W48-A58 HydrophobicContact CE3-CB 4.29Å; W48-A58 HydrophobicContact CH2-CB 4.4Å; W48-A58 HydrophobicContact CZ3-CB 4.11Å; A58-F71 HydrophobicContact CB-CE2 4.28Å; A58-F71 HydrophobicContact CB-CZ 3.97Å; A58-F71 WeakPolarHBondContact O-CE2 3.44Å; A58-D89 WeakPolarHBondContact CB-O 3.08Å
59I94.5Very high90.2Very high46 Ų4679.2 Ų79.224%0.23640%0.403CS..EExtended strand (participates in β ladder)trans-121.4-8.9179.555.6170.7000112.8F47 K49 V57 L70 F71F47-I59 HydrophobicContact CB-CG1 4.46Å; F47-I59 HydrophobicContact CD1-CD1 3.69Å; F47-I59 HydrophobicContact CD1-CG1 3.63Å; F47-I59 HydrophobicContact CE1-CD1 3.46Å; F47-I59 VanDerWaalsContact CE1-CD1 3.46Å; F47-I59 HydrophobicContact CE1-CG1 3.97Å; F47-I59 HydrophobicContact CE2-CD1 4.39Å; F47-I59 HydrophobicContact CG-CD1 4.26Å; F47-I59 HydrophobicContact CG-CG1 3.99Å; F47-I59 HydrophobicContact CZ-CD1 3.84Å; F47-I59 VanDerWaalsContact O-CG1 3.29Å; F47-I59 WeakPolarHBondContact O-CG1 3.43Å; F47-I59 PolarHBondContact O-N 2.84Å; K49-I59 HydrophobicContact CB-CD1 4.2Å; K49-I59 HydrophobicContact CB-CG2 3.84Å; V57-I59 HydrophobicContact CG1-CG2 3.84Å; V57-I59 PolarHBondContact O-N 2.82Å; I59-L70 HydrophobicContact CB-CD2 4.5Å; I59-L70 HydrophobicContact CD1-CD2 4.34Å; I59-L70 WeakPolarHBondContact O-CA 3.41Å; I59-F71 VanDerWaalsContact C-CE2 3.48Å; I59-F71 WeakPolarHBondContact O-CD2 3.28Å; I59-F71 PolarHBondContact O-N 3.04Å
60G94.8Very high90.5Very high0 Ų078.4 Ų78.40%040%0.403CS..EExtended strand (participates in β ladder)trans-179.2-165.7-174.500000115.5F47 L69 C84F47-G60 PolarHBondContact N-O 2.88Å; F47-G60 PolarHBondContact O-N 2.74Å; G60-L69 CarbonylContact C-O 3.45Å; G60-L69 WeakPolarHBondContact CA-O 2.96Å; G60-C84 VanDerWaalsContact C-SG 3.53Å
61C94.2Very high90.9Very high0 Ų075.5 Ų75.50%039%0.393CS..EExtended strand (participates in β ladder)trans-114.6149.8177.9-55.70000109.4R45 S68 L69 C84 V92 L94R45-C61 CarbonylContact O-C 3.6Å; R45-C61 WeakPolarHBondContact O-CA 3.36Å; C61-S68 WeakPolarHBondContact O-CA 3.4Å; C61-L69 PolarHBondContact N-O 2.82Å; C61-L69 PolarHBondContact O-N 3.11Å; C61-C84 HydrophobicContact CB-CB 3.81Å; C61-C84 WeakPolarHBondContact CB-SG 3.19Å; C61-C84 PolarHBondContact N-SG 3.1Å; C61-C84 WeakPolarHBondContact SG-CA 3.45Å; C61-C84 WeakPolarHBondContact SG-CB 3.23Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 2.61Å; C61-V92 HydrophobicContact CB-CG2 4.23Å; C61-L94 HydrophobicContact CB-CD2 4.06Å
62I92.7Very high91.2Very high56 Ų5673 Ų7329%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-106.3126.9170.8-57.3175.7000107.7R45 V46 F47 E67R45-I62 PolarHBondContact O-N 2.03Å; V46-I62 WeakPolarHBondContact O-CD1 3.46Å; F47-I62 HydrophobicContact CB-CG1 3.89Å; I62-E67 WeakPolarHBondContact CA-O 3.25Å
63L90.6Very high91.5Very high10 Ų1067.3 Ų67.35%0.05237%0.371CS..  trans-79.5166.1178.4-64.4-178.6000111.7S65 G66 E67 L69 Y75 L94L63-S65 WeakPolarHBondContact CB-OG 3.28Å; L63-S65 PolarHBondContact O-N 2.83Å; L63-G66 PolarHBondContact O-N 3.42Å; L63-E67 HydrophobicContact CD1-CB 4.24Å; L63-E67 PolarHBondContact N-O 2.87Å; L63-L69 HydrophobicContact CD1-CD1 4.08Å; L63-L69 HydrophobicContact CD1-CD2 4.49Å; L63-L69 HydrophobicContact CD1-CG 4.1Å; L63-L69 HydrophobicContact CD2-CD1 3.68Å; L63-L69 HydrophobicContact CD2-CG 4.35Å; L63-L69 HydrophobicContact CG-CD1 4.02Å; L63-L69 HydrophobicContact CG-CG 4.14Å; L63-Y75 HydrophobicContact CD1-CD1 3.98Å; L63-Y75 HydrophobicContact CD1-CD2 3.37Å; L63-Y75 HydrophobicContact CD1-CE1 4.23Å; L63-Y75 HydrophobicContact CD1-CE2 3.65Å; L63-Y75 HydrophobicContact CD1-CG 3.54Å; L63-Y75 HydrophobicContact CD2-CD1 4.08Å; L63-Y75 HydrophobicContact CD2-CG 4.26Å; L63-L94 HydrophobicContact CD2-CD1 3.95Å; L63-L94 HydrophobicContact CD2-CD2 4.32Å
64D86.6Confident92.1Very high133 Ų13361.2 Ų61.271%0.71135%0.35SS*.THydrogen-bonded Turntrans-58-27.3172-72.7-49.6000112.7R45 G66R45-D64 IonicContact CZ-OD1 2.61Å; R45-D64 IonicContact NH1-OD1 3.75Å; R45-D64 PolarHBondContact NH1-OD1 3.09Å; R45-D64 IonicContact NH1-OD2 2.87Å; R45-D64 IonicContact NH2-OD1 2.66Å; R45-D64 PolarHBondContact NH2-OD1 3.01Å; D64-G66 PolarHBondContact O-N 3.08Å
65S89.6Confident92.5Very high72 Ų7260.8 Ų60.850%0.50334%0.339SS..THydrogen-bonded Turntrans-72.6-12.3174.555.60000113.8L63 E67L63-S65 WeakPolarHBondContact CB-OG 3.28Å; L63-S65 PolarHBondContact O-N 2.83Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 WeakPolarHBondContact OG-CB 2.77Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-N 2.96Å; S65-E67 PolarHBondContact OG-OE2 2.86Å
66G90.9Very high92.9Very high57 Ų5758.6 Ų58.659%0.58834%0.335SS*.SBendtrans86-7.4-169.900000114.3L63 D64L63-G66 PolarHBondContact O-N 3.42Å; D64-G66 PolarHBondContact O-N 3.08Å
67E92.4Very high93.1Very high116 Ų11657.1 Ų57.154%0.54233%0.327SS..  trans-66.5150.8174-66.7174.5152.400111.3I62 L63 S65I62-E67 WeakPolarHBondContact CA-O 3.25Å; L63-E67 HydrophobicContact CD1-CB 4.24Å; L63-E67 PolarHBondContact N-O 2.87Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 WeakPolarHBondContact OG-CB 2.77Å; S65-E67 WeakPolarHBondContact OG-CG 3.48Å; S65-E67 PolarHBondContact OG-N 2.96Å; S65-E67 PolarHBondContact OG-OE2 2.86Å
68S93.4Very high93.3Very high56 Ų5659.3 Ų59.339%0.39234%0.341SS..EExtended strand (participates in β ladder)trans-107.1138.3179.366.40000111.6F47 C61F47-S68 WeakPolarHBondContact CE1-OG 3.29Å; C61-S68 WeakPolarHBondContact O-CA 3.4Å
69L94.8Very high93.4Very high16 Ų1663 Ų638%0.08436%0.355CS..EExtended strand (participates in β ladder)trans-115.8123.8172.9-66.2175.7000109G60 C61 L63 Q73 C84 L94G60-L69 CarbonylContact C-O 3.45Å; G60-L69 WeakPolarHBondContact CA-O 2.96Å; C61-L69 PolarHBondContact N-O 2.82Å; C61-L69 PolarHBondContact O-N 3.11Å; L63-L69 HydrophobicContact CD1-CD1 4.08Å; L63-L69 HydrophobicContact CD1-CD2 4.49Å; L63-L69 HydrophobicContact CD1-CG 4.1Å; L63-L69 HydrophobicContact CD2-CD1 3.68Å; L63-L69 HydrophobicContact CD2-CG 4.35Å; L63-L69 HydrophobicContact CG-CD1 4.02Å; L63-L69 HydrophobicContact CG-CG 4.14Å; L69-Q73 HydrophobicContact CB-CB 4.41Å; L69-Q73 HydrophobicContact CD2-CB 4.31Å; L69-C84 HydrophobicContact CB-CB 4.03Å; L69-C84 HydrophobicContact CD1-CB 4.49Å; L69-L94 HydrophobicContact CD1-CD2 4.25Å
70L96.3Very high93.5Very high78 Ų7861.2 Ų61.241%0.40835%0.345SS..EExtended strand (participates in β ladder)trans-64.5156168.8-59.5176.9000110.7F47 I59 G72 Q73F47-L70 HydrophobicContact CD1-CD2 4.36Å; F47-L70 HydrophobicContact CE1-CD2 4.17Å; I59-L70 HydrophobicContact CB-CD2 4.5Å; I59-L70 HydrophobicContact CD1-CD2 4.34Å; I59-L70 WeakPolarHBondContact O-CA 3.41Å; L70-G72 PolarHBondContact O-N 2.84Å; L70-Q73 HydrophobicContact CB-CG 4.03Å; L70-Q73 VanDerWaalsContact O-CB 3.3Å; L70-Q73 WeakPolarHBondContact O-CB 3.33Å; L70-Q73 PolarHBondContact O-N 2.79Å
71F95.6Very high93.5Very high64 Ų6461.6 Ų61.628%0.28135%0.348SS..THydrogen-bonded Turntrans-54.3133.1173.3-66.3-46000111.8A58 I59 Q73 C84 K86 V92A58-F71 HydrophobicContact CB-CE2 4.28Å; A58-F71 HydrophobicContact CB-CZ 3.97Å; A58-F71 WeakPolarHBondContact O-CE2 3.44Å; I59-F71 VanDerWaalsContact C-CE2 3.48Å; I59-F71 WeakPolarHBondContact O-CD2 3.28Å; I59-F71 PolarHBondContact O-N 3.04Å; F71-Q73 VanDerWaalsContact C-N 3.28Å; F71-Q73 PolarHBondContact O-N 2.83Å; F71-C84 VanDerWaalsContact CD1-SG 3.51Å; F71-K86 HydrophobicContact CD1-CB 4.04Å; F71-K86 HydrophobicContact CD2-CB 4.31Å; F71-K86 HydrophobicContact CE1-CB 3.7Å; F71-K86 HydrophobicContact CE1-CG 4.29Å; F71-K86 HydrophobicContact CE2-CB 3.93Å; F71-K86 HydrophobicContact CE2-CD 3.8Å; F71-K86 HydrophobicContact CE2-CG 4.03Å; F71-K86 HydrophobicContact CG-CB 4.36Å; F71-K86 HydrophobicContact CZ-CB 3.64Å; F71-K86 HydrophobicContact CZ-CD 4.04Å; F71-K86 HydrophobicContact CZ-CG 3.76Å; F71-V92 HydrophobicContact CE1-CB 4.38Å; F71-V92 HydrophobicContact CE1-CG1 3.52Å; F71-V92 HydrophobicContact CZ-CG1 3.79Å
72G95.1Very high93.5Very high46 Ų4662 Ų6247%0.47435%0.35SS..THydrogen-bonded Turntrans87.7-21.5-176.200000114.8L70 C84L70-G72 PolarHBondContact O-N 2.84Å; G72-C84 PolarHBondContact N-O 2.77Å
73Q97Very high93.6Very high89 Ų8964.2 Ų64.242%0.41636%0.355SS..  trans-67.2153.7174-69-176.6-24.400111.4L69 L70 F71 R83 C84L69-Q73 HydrophobicContact CB-CB 4.41Å; L69-Q73 HydrophobicContact CD2-CB 4.31Å; L70-Q73 HydrophobicContact CB-CG 4.03Å; L70-Q73 VanDerWaalsContact O-CB 3.3Å; L70-Q73 WeakPolarHBondContact O-CB 3.33Å; L70-Q73 PolarHBondContact O-N 2.79Å; F71-Q73 VanDerWaalsContact C-N 3.28Å; F71-Q73 PolarHBondContact O-N 2.83Å; Q73-R83 WeakPolarHBondContact O-CA 3.36Å; Q73-C84 PolarHBondContact O-N 3.3Å
74T96.1Very high93.8Very high72 Ų7263.8 Ų63.844%0.44235%0.352SS..EExtended strand (participates in β ladder)trans-116.8152.5-179.654.50000112V81 L82 R83 V97T74-V81 HydrophobicContact CG2-CG1 4.21Å; T74-L82 CarbonylContact C-O 3.37Å; T74-L82 WeakPolarHBondContact CA-O 3.04Å; T74-L82 WeakPolarHBondContact CB-O 3.36Å; T74-R83 HydrophobicContact CG2-CB 4Å; T74-R83 HydrophobicContact CG2-CG 4.19Å; T74-V97 HydrophobicContact CG2-CG2 4.4Å
75Y93.2Very high94.2Very high82 Ų8262.1 Ų62.132%0.32234%0.339SS..EExtended strand (participates in β ladder)trans-133.1135.7176.3165.9-102.2000109.9L63 V81 L82L63-Y75 HydrophobicContact CD1-CD1 3.98Å; L63-Y75 HydrophobicContact CD1-CD2 3.37Å; L63-Y75 HydrophobicContact CD1-CE1 4.23Å; L63-Y75 HydrophobicContact CD1-CE2 3.65Å; L63-Y75 HydrophobicContact CD1-CG 3.54Å; L63-Y75 HydrophobicContact CD2-CD1 4.08Å; L63-Y75 HydrophobicContact CD2-CG 4.26Å; Y75-V81 WeakPolarHBondContact O-CA 3.48Å; Y75-L82 HydrophobicContact CD1-CD1 4.47Å; Y75-L82 PolarHBondContact N-O 3.02Å; Y75-L82 PolarHBondContact O-N 3.01Å
76E94.4Very high94.4Very high109 Ų10962.9 Ų62.951%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-90.6111.9177-60.4-160.3160.800109.7V81 I100E76-V81 HydrophobicContact CG-CG2 4.25Å; E76-I100 HydrophobicContact CB-CD1 3.81Å; E76-I100 HydrophobicContact CG-CD1 4.21Å
77S91.7Very high94.4Very high31 Ų3163.7 Ų63.722%0.21733%0.326CS..  trans-86.6-175.2168.771.50000110.6Y79 F80 I100S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 2.72Å; S77-F80 WeakPolarHBondContact CB-O 3.04Å; S77-F80 PolarHBondContact N-O 3.23Å; S77-F80 PolarHBondContact OG-N 2.76Å; S77-F80 VanDerWaalsContact OG-N 3.09Å; S77-F80 PolarHBondContact OG-O 2.62Å; S77-I100 VanDerWaalsContact O-CD1 3.24Å; S77-I100 WeakPolarHBondContact O-CD1 3.36Å
78T93.3Very high94.3Very high108 Ų10861.9 Ų61.966%0.66332%0.32SS*.SBendtrans-57.5-35.7178.2-46.70000113.9
79Y94.6Very high93.9Very high82 Ų8264.4 Ų64.432%0.32233%0.329SS..SBendtrans-129.9-6.3-172.1-58-67.9000114.4Y34 S77 C99 I100Y34-Y79 HydrophobicContact CD1-CD1 4.17Å; Y34-Y79 AromaticContact CD1-CD2 3.86Å; Y34-Y79 HydrophobicContact CD1-CD2 3.86Å; Y34-Y79 AromaticContact CD1-CE1 3.91Å; Y34-Y79 HydrophobicContact CD1-CE1 3.91Å; Y34-Y79 AromaticContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CE2 3.59Å; Y34-Y79 HydrophobicContact CD1-CG 4.15Å; Y34-Y79 AromaticContact CD1-CZ 3.62Å; Y34-Y79 AromaticContact CD2-CD1 3.89Å; Y34-Y79 HydrophobicContact CD2-CD1 3.89Å; Y34-Y79 AromaticContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CE1 3.95Å; Y34-Y79 HydrophobicContact CD2-CG 4.37Å; Y34-Y79 HydrophobicContact CE1-CD1 4.34Å; Y34-Y79 HydrophobicContact CE1-CD2 4.36Å; Y34-Y79 AromaticContact CE1-CE1 3.63Å; Y34-Y79 HydrophobicContact CE1-CE1 3.63Å; Y34-Y79 AromaticContact CE1-CE2 3.67Å; Y34-Y79 HydrophobicContact CE1-CE2 3.67Å; Y34-Y79 AromaticContact CE1-CZ 3.25Å; Y34-Y79 VanDerWaalsContact CE1-OH 3.31Å; Y34-Y79 WeakPolarHBondContact CE1-OH 3.26Å; Y34-Y79 HydrophobicContact CE2-CD1 4.07Å; Y34-Y79 AromaticContact CE2-CE1 3.68Å; Y34-Y79 HydrophobicContact CE2-CE1 3.68Å; Y34-Y79 AromaticContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD1 3.93Å; Y34-Y79 HydrophobicContact CG-CD2 4.14Å; Y34-Y79 HydrophobicContact CG-CE1 4.06Å; Y34-Y79 HydrophobicContact CG-CE2 4.26Å; Y34-Y79 AromaticContact CG-CG 3.98Å; Y34-Y79 HydrophobicContact CG-CG 3.98Å; Y34-Y79 AromaticContact CZ-CE1 3.5Å; Y34-Y79 VanDerWaalsContact CZ-CE1 3.5Å; Y34-Y79 AromaticContact CZ-CZ 3.57Å; S77-Y79 VanDerWaalsContact C-N 3.26Å; S77-Y79 PolarHBondContact O-N 2.72Å; Y79-C99 CarbonylContact O-C 3.46Å; Y79-C99 WeakPolarHBondContact O-CA 3.12Å; Y79-I100 PolarHBondContact O-N 2.78Å
80F96.1Very high93.5Very high9 Ų967.3 Ų67.34%0.03935%0.348CS..EExtended strand (participates in β ladder)trans-146.5145-172.2-53-74.7000112.3Y36 S77 L82 P96 K98 C99 I128 L130Y36-F80 AromaticContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CD2 3.94Å; Y36-F80 HydrophobicContact CD2-CE2 4.39Å; Y36-F80 HydrophobicContact CG-CD2 4.28Å; S77-F80 WeakPolarHBondContact CB-O 3.04Å; S77-F80 PolarHBondContact N-O 3.23Å; S77-F80 PolarHBondContact OG-N 2.76Å; S77-F80 VanDerWaalsContact OG-N 3.09Å; S77-F80 PolarHBondContact OG-O 2.62Å; F80-L82 HydrophobicContact CB-CD2 3.95Å; F80-P96 HydrophobicContact CB-CB 4.37Å; F80-K98 WeakPolarHBondContact CA-O 3.35Å; F80-C99 HydrophobicContact CD1-CB 4.42Å; F80-I128 HydrophobicContact CD1-CG2 3.38Å; F80-I128 HydrophobicContact CE1-CG2 3.51Å; F80-I128 HydrophobicContact CG-CG2 4.27Å; F80-I128 HydrophobicContact CZ-CG2 4.47Å; F80-L130 HydrophobicContact CE1-CB 4.42Å
81V95.9Very high93.2Very high8 Ų863.8 Ų63.85%0.04833%0.33CS..EExtended strand (participates in β ladder)trans-89.2117.7164.3-174.60000107.7T74 Y75 E76 P96 V97 K98 I100 P105T74-V81 HydrophobicContact CG2-CG1 4.21Å; Y75-V81 WeakPolarHBondContact O-CA 3.48Å; E76-V81 HydrophobicContact CG-CG2 4.25Å; V81-P96 CarbonylContact O-C 3.54Å; V81-P96 WeakPolarHBondContact O-CA 3.16Å; V81-V97 HydrophobicContact CB-CG2 4.07Å; V81-V97 HydrophobicContact CG1-CG2 3.86Å; V81-V97 WeakPolarHBondContact O-CG2 3.4Å; V81-V97 PolarHBondContact O-N 2.04Å; V81-K98 HydrophobicContact CB-CB 4.04Å; V81-K98 HydrophobicContact CG2-CB 3.97Å; V81-K98 PolarHBondContact N-O 2.96Å; V81-I100 HydrophobicContact CG2-CD1 3.87Å; V81-I100 HydrophobicContact CG2-CG1 3.83Å; V81-P105 HydrophobicContact CG2-CB 4.46Å; V81-P105 HydrophobicContact CG2-CG 4.44Å
82L93.9Very high93.1Very high9 Ų960.8 Ų60.85%0.04732%0.317CS..EExtended strand (participates in β ladder)trans-101.9141.1-178.3-54.7-178.9000109.9Y36 T74 Y75 F80 L94 P96Y36-L82 HydrophobicContact CD1-CD2 4.47Å; Y36-L82 HydrophobicContact CD2-CD2 4.07Å; Y36-L82 HydrophobicContact CE1-CD2 4.17Å; Y36-L82 HydrophobicContact CE2-CD1 3.9Å; Y36-L82 HydrophobicContact CE2-CD2 3.74Å; Y36-L82 HydrophobicContact CE2-CG 4.49Å; Y36-L82 HydrophobicContact CG-CD2 4.42Å; T74-L82 CarbonylContact C-O 3.37Å; T74-L82 WeakPolarHBondContact CA-O 3.04Å; T74-L82 WeakPolarHBondContact CB-O 3.36Å; Y75-L82 HydrophobicContact CD1-CD1 4.47Å; Y75-L82 PolarHBondContact N-O 3.02Å; Y75-L82 PolarHBondContact O-N 3.01Å; F80-L82 HydrophobicContact CB-CD2 3.95Å; L82-L94 HydrophobicContact CB-CB 4.38Å; L82-L94 HydrophobicContact CD1-CB 4.34Å; L82-L94 HydrophobicContact CD1-CD1 4.19Å; L82-P96 HydrophobicContact CD2-CB 3.76Å; L82-P96 HydrophobicContact CD2-CG 4.45Å
83R94.8Very high92.9Very high102 Ų10260.8 Ų60.839%0.38530%0.304SS..EExtended strand (participates in β ladder)trans-114.6131.9173.8-175.3177-67.81721.9110.3Q73 T74 K85 V95 V97Q73-R83 WeakPolarHBondContact O-CA 3.36Å; T74-R83 HydrophobicContact CG2-CB 4Å; T74-R83 HydrophobicContact CG2-CG 4.19Å; R83-K85 PolarHBondContact O-N 3.47Å; R83-V95 PolarHBondContact N-O 3.24Å; R83-V95 PolarHBondContact O-N 3.33Å; R83-V97 HydrophobicContact CB-CG1 3.8Å
84C94.9Very high92.6Very high1 Ų157.1 Ų57.11%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-72.4122.1172.9179.80000110.9G60 C61 L69 F71 G72 Q73 L94G60-C84 VanDerWaalsContact C-SG 3.53Å; C61-C84 HydrophobicContact CB-CB 3.81Å; C61-C84 WeakPolarHBondContact CB-SG 3.19Å; C61-C84 PolarHBondContact N-SG 3.1Å; C61-C84 WeakPolarHBondContact SG-CA 3.45Å; C61-C84 WeakPolarHBondContact SG-CB 3.23Å; C61-C84 CovalentContact SG-SG 2.03Å; C61-C84 PolarHBondContact SG-SG 2.61Å; L69-C84 HydrophobicContact CB-CB 4.03Å; L69-C84 HydrophobicContact CD1-CB 4.49Å; F71-C84 VanDerWaalsContact CD1-SG 3.51Å; G72-C84 PolarHBondContact N-O 2.77Å; Q73-C84 PolarHBondContact O-N 3.3Å; C84-L94 HydrophobicContact CB-CD2 4.39Å
85K94Very high92.4Very high98 Ų9854.7 Ų54.743%0.42627%0.272SS..EExtended strand (participates in β ladder)trans-124.7140175-66.3-159.6-177.1-175.40111.4R83 V92 K93 V95R83-K85 PolarHBondContact O-N 3.47Å; K85-V92 WeakPolarHBondContact O-CA 3.5Å; K85-K93 PolarHBondContact N-O 2.81Å; K85-K93 PolarHBondContact O-N 2.77Å; K85-V95 HydrophobicContact CB-CG2 4.24Å; K85-V95 HydrophobicContact CD-CB 4.29Å; K85-V95 HydrophobicContact CD-CG2 3.86Å; K85-V95 HydrophobicContact CG-CB 4.4Å; K85-V95 HydrophobicContact CG-CG2 4.02Å
86K93.7Very high92.3Very high88 Ų8850.8 Ų50.838%0.38326%0.257SS..EExtended strand (participates in β ladder)trans-74.7129.2167.6-166.5175.9-179.1-178.80109.3F71 N88 D89F71-K86 HydrophobicContact CD1-CB 4.04Å; F71-K86 HydrophobicContact CD2-CB 4.31Å; F71-K86 HydrophobicContact CE1-CB 3.7Å; F71-K86 HydrophobicContact CE1-CG 4.29Å; F71-K86 HydrophobicContact CE2-CB 3.93Å; F71-K86 HydrophobicContact CE2-CD 3.8Å; F71-K86 HydrophobicContact CE2-CG 4.03Å; F71-K86 HydrophobicContact CG-CB 4.36Å; F71-K86 HydrophobicContact CZ-CB 3.64Å; F71-K86 HydrophobicContact CZ-CD 4.04Å; F71-K86 HydrophobicContact CZ-CG 3.76Å; K86-N88 WeakPolarHBondContact CE-O 3.35Å; K86-N88 WeakPolarHBondContact CG-O 3.44Å; K86-D89 WeakPolarHBondContact CE-OD1 3.42Å; K86-D89 IonicContact NZ-OD1 3.91Å; K86-D89 PolarHBondContact NZ-OD1 2.79Å
87V91.1Very high92.3Very high74 Ų7446.8 Ų46.845%0.44824%0.24SC..SBendtrans-93.5-50171.8177.10000109.1A91 K93V87-A91 HydrophobicContact CB-CB 4.19Å; V87-A91 WeakPolarHBondContact CB-O 3.34Å; V87-A91 PolarHBondContact N-O 2.85Å; V87-K93 HydrophobicContact CG2-CB 3.62Å; V87-K93 HydrophobicContact CG2-CD 4.35Å
88N90.3Very high92.6Very high78 Ų7848.4 Ų48.442%0.41724%0.243SC..SBendtrans-150.6-167171.461.835.6000108.4K86 T90 A91K86-N88 WeakPolarHBondContact CE-O 3.35Å; K86-N88 WeakPolarHBondContact CG-O 3.44Å; N88-T90 PolarHBondContact O-N 2.73Å; N88-T90 PolarHBondContact OD1-N 3.03Å; N88-T90 PolarHBondContact OD1-OG1 3.26Å; N88-A91 PolarHBondContact N-O 3.05Å; N88-A91 VanDerWaalsContact OD1-CB 3.26Å; N88-A91 WeakPolarHBondContact OD1-CB 3.05Å; N88-A91 PolarHBondContact OD1-N 3.47Å
89D86.2Confident92.8Very high108 Ų10843.3 Ų43.358%0.57821%0.211SC*.SBendtrans-66.8-22.1-176.9-66.8-36.1000114.8W48 A58 K86W48-D89 WeakPolarHBondContact CH2-O 3.41Å; A58-D89 WeakPolarHBondContact CB-O 3.08Å; K86-D89 WeakPolarHBondContact CE-OD1 3.42Å; K86-D89 IonicContact NZ-OD1 3.91Å; K86-D89 PolarHBondContact NZ-OD1 2.79Å
90T86.6Confident92.9Very high78 Ų7839.9 Ų39.948%0.47920%0.199SC..SBendtrans-117.8-1.9-175.357.10000113.5V46 W48 N88V46-T90 WeakPolarHBondContact CG2-O 3.47Å; W48-T90 HydrophobicContact CH2-CG2 4.21Å; N88-T90 PolarHBondContact O-N 2.73Å; N88-T90 PolarHBondContact OD1-N 3.03Å; N88-T90 PolarHBondContact OD1-OG1 3.26Å
91A89.7Confident93Very high4 Ų440 Ų403%0.03320%0.2CC..  trans-133.9137-175.500000111.8I41 V43 V87 N88I41-A91 HydrophobicContact CG2-CB 3.96Å; V43-A91 HydrophobicContact CG2-CB 4.33Å; V87-A91 HydrophobicContact CB-CB 4.19Å; V87-A91 WeakPolarHBondContact CB-O 3.34Å; V87-A91 PolarHBondContact N-O 2.85Å; N88-A91 PolarHBondContact N-O 3.05Å; N88-A91 VanDerWaalsContact OD1-CB 3.26Å; N88-A91 WeakPolarHBondContact OD1-CB 3.05Å; N88-A91 PolarHBondContact OD1-N 3.47Å
92V91.9Very high93Very high0 Ų044.4 Ų44.40%022%0.223CC..EExtended strand (participates in β ladder)trans-125.7167.5176.3-58.90000110.6E42 R45 V46 C61 F71 K85E42-V92 PolarHBondContact N-O 2.78Å; E42-V92 VanDerWaalsContact N-O 3.13Å; E42-V92 PolarHBondContact O-N 2.77Å; R45-V92 WeakPolarHBondContact O-CG2 3.44Å; V46-V92 HydrophobicContact CB-CG1 4.39Å; V46-V92 HydrophobicContact CG1-CG1 4.03Å; V46-V92 HydrophobicContact CG2-CB 4.45Å; V46-V92 HydrophobicContact CG2-CG1 3.96Å; V46-V92 HydrophobicContact CG2-CG2 3.94Å; C61-V92 HydrophobicContact CB-CG2 4.23Å; F71-V92 HydrophobicContact CE1-CB 4.38Å; F71-V92 HydrophobicContact CE1-CG1 3.52Å; F71-V92 HydrophobicContact CZ-CG1 3.79Å; K85-V92 WeakPolarHBondContact O-CA 3.5Å
93K90.9Very high93Very high47 Ų4746.9 Ų46.920%0.20425%0.251CS..EExtended strand (participates in β ladder)trans-149.5131.6-177.3-175.9175.8-177.3159.90110.8Y38 K85 V87 V95Y38-K93 WeakPolarHBondContact O-CE 3.13Å; Y38-K93 PolarHBondContact O-NZ 2.95Å; K85-K93 PolarHBondContact N-O 2.81Å; K85-K93 PolarHBondContact O-N 2.77Å; V87-K93 HydrophobicContact CG2-CB 3.62Å; V87-K93 HydrophobicContact CG2-CD 4.35Å; K93-V95 HydrophobicContact CB-CG2 4.45Å; K93-V95 HydrophobicContact CD-CG2 4.02Å; K93-V95 HydrophobicContact CG-CG2 3.89Å
94L91.1Very high93.1Very high11 Ų1148.7 Ų48.76%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-82.4114.6166.2-65.9176.5000108.9C61 L63 L69 L82 C84C61-L94 HydrophobicContact CB-CD2 4.06Å; L63-L94 HydrophobicContact CD2-CD1 3.95Å; L63-L94 HydrophobicContact CD2-CD2 4.32Å; L69-L94 HydrophobicContact CD1-CD2 4.25Å; L82-L94 HydrophobicContact CB-CB 4.38Å; L82-L94 HydrophobicContact CD1-CB 4.34Å; L82-L94 HydrophobicContact CD1-CD1 4.19Å; C84-L94 HydrophobicContact CB-CD2 4.39Å
95V91.4Very high93.2Very high22 Ų2250.9 Ų50.913%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-107.3115.6-178.4179.40000108.8Y38 R83 K85 K93 V97Y38-V95 HydrophobicContact CD1-CG1 4.09Å; Y38-V95 HydrophobicContact CE1-CG1 3.69Å; R83-V95 PolarHBondContact N-O 3.24Å; R83-V95 PolarHBondContact O-N 3.33Å; K85-V95 HydrophobicContact CB-CG2 4.24Å; K85-V95 HydrophobicContact CD-CB 4.29Å; K85-V95 HydrophobicContact CD-CG2 3.86Å; K85-V95 HydrophobicContact CG-CB 4.4Å; K85-V95 HydrophobicContact CG-CG2 4.02Å; K93-V95 HydrophobicContact CB-CG2 4.45Å; K93-V95 HydrophobicContact CD-CG2 4.02Å; K93-V95 HydrophobicContact CG-CG2 3.89Å; V95-V97 PolarHBondContact O-N 3.05Å
96P92.6Very high93.4Very high0 Ų046.2 Ų46.20%026%0.255CS..EExtended strand (participates in β ladder)trans-64.3131.2172.923.7-35000111.6Y36 Y38 F80 V81 L82 I128Y36-P96 HydrophobicContact CD1-CB 4.31Å; Y36-P96 VanDerWaalsContact CD1-CD 3.49Å; Y36-P96 HydrophobicContact CD1-CG 3.48Å; Y36-P96 VanDerWaalsContact CD1-CG 3.48Å; Y36-P96 HydrophobicContact CE1-CG 4.12Å; Y36-P96 HydrophobicContact CG-CG 4.04Å; Y38-P96 HydrophobicContact CD1-CG 3.9Å; Y38-P96 HydrophobicContact CE1-CG 3.33Å; F80-P96 HydrophobicContact CB-CB 4.37Å; V81-P96 CarbonylContact O-C 3.54Å; V81-P96 WeakPolarHBondContact O-CA 3.16Å; L82-P96 HydrophobicContact CD2-CB 3.76Å; L82-P96 HydrophobicContact CD2-CG 4.45Å; P96-I128 HydrophobicContact CB-CB 4.09Å; P96-I128 HydrophobicContact CB-CG2 3.34Å; P96-I128 HydrophobicContact CG-CB 3.98Å; P96-I128 HydrophobicContact CG-CG2 3.5Å
97V94.6Very high93.6Very high25 Ų2546.3 Ų46.315%0.15226%0.257CS..EExtended strand (participates in β ladder)trans-111.4-26.3-179.6-66.80000112.8T74 V81 R83 V95 K108T74-V97 HydrophobicContact CG2-CG2 4.4Å; V81-V97 HydrophobicContact CB-CG2 4.07Å; V81-V97 HydrophobicContact CG1-CG2 3.86Å; V81-V97 WeakPolarHBondContact O-CG2 3.4Å; V81-V97 PolarHBondContact O-N 2.04Å; R83-V97 HydrophobicContact CB-CG1 3.8Å; V95-V97 PolarHBondContact O-N 3.05Å; V97-K108 WeakPolarHBondContact O-CE 3.36Å
98K96.9Very high93.8Very high65 Ų6546.9 Ų46.928%0.28325%0.254SS..EExtended strand (participates in β ladder)trans-146.3161.9177.1-58.3-175.6-172.9-171.90110.2F80 V81 P105 E107F80-K98 WeakPolarHBondContact CA-O 3.35Å; V81-K98 HydrophobicContact CB-CB 4.04Å; V81-K98 HydrophobicContact CG2-CB 3.97Å; V81-K98 PolarHBondContact N-O 2.96Å; K98-P105 HydrophobicContact CD-CB 3.99Å; K98-E107 WeakPolarHBondContact CD-OE1 3.34Å; K98-E107 WeakPolarHBondContact CE-OE1 3.5Å; K98-E107 WeakPolarHBondContact CE-OE2 3.35Å; K98-E107 IonicContact NZ-OE1 2.61Å; K98-E107 PolarHBondContact NZ-OE1 3.44Å; K98-E107 IonicContact NZ-OE2 3.93Å
99C97.8Very high94.1Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-93.5165.6166.8-52.90000109.9Y79 F80 P105 V106 C121 L130Y79-C99 CarbonylContact O-C 3.46Å; Y79-C99 WeakPolarHBondContact O-CA 3.12Å; F80-C99 HydrophobicContact CD1-CB 4.42Å; C99-P105 CarbonylContact O-C 3.53Å; C99-P105 WeakPolarHBondContact O-CA 3.37Å; C99-V106 HydrophobicContact CB-CB 4.37Å; C99-V106 PolarHBondContact N-O 3.09Å; C99-V106 VanDerWaalsContact N-O 3.11Å; C99-V106 PolarHBondContact O-N 2.8Å; C99-C121 HydrophobicContact CB-CB 3.62Å; C99-C121 WeakPolarHBondContact CB-SG 3.49Å; C99-C121 PolarHBondContact N-SG 2.92Å; C99-C121 WeakPolarHBondContact SG-CA 3.49Å; C99-C121 WeakPolarHBondContact SG-CB 3.33Å; C99-C121 CovalentContact SG-SG 2.04Å; C99-C121 PolarHBondContact SG-SG 3.22Å; C99-L130 HydrophobicContact CB-CB 4.16Å; C99-L130 HydrophobicContact CB-CD1 3.88Å; C99-L130 HydrophobicContact CB-CG 4.42Å
100I97.7Very high94.7Very high10 Ų1043.6 Ų43.65%0.05125%0.248CC..EExtended strand (participates in β ladder)trans-125.2125.7174.8-63169.5000108E76 S77 Y79 V81 K104 L130E76-I100 HydrophobicContact CB-CD1 3.81Å; E76-I100 HydrophobicContact CG-CD1 4.21Å; S77-I100 VanDerWaalsContact O-CD1 3.24Å; S77-I100 WeakPolarHBondContact O-CD1 3.36Å; Y79-I100 PolarHBondContact O-N 2.78Å; V81-I100 HydrophobicContact CG2-CD1 3.87Å; V81-I100 HydrophobicContact CG2-CG1 3.83Å; I100-K104 WeakPolarHBondContact CA-O 3.32Å; I100-L130 VanDerWaalsContact O-CD2 3.29Å; I100-L130 WeakPolarHBondContact O-CD2 3.32Å
101L97.2Very high95.2Very high12 Ų1242.9 Ų42.96%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-129.8123175.6-170.474.9000108.5G103 K104 V106 R112 K114 Y119 L130L101-G103 VanDerWaalsContact C-N 3.28Å; L101-G103 PolarHBondContact O-N 2.79Å; L101-K104 PolarHBondContact N-O 2.69Å; L101-K104 PolarHBondContact O-N 2.92Å; L101-K104 VanDerWaalsContact O-N 3.08Å; L101-V106 HydrophobicContact CB-CG2 3.69Å; L101-R112 HydrophobicContact CD2-CB 3.72Å; L101-K114 HydrophobicContact CD1-CB 4.26Å; L101-K114 HydrophobicContact CD1-CD 3.56Å; L101-K114 HydrophobicContact CD2-CB 4.06Å; L101-K114 HydrophobicContact CG-CB 4.34Å; L101-K114 HydrophobicContact CG-CD 4.09Å; L101-Y119 HydrophobicContact CD1-CD1 4.14Å; L101-Y119 HydrophobicContact CD1-CD2 3.91Å; L101-Y119 HydrophobicContact CD1-CE2 4.32Å; L101-Y119 HydrophobicContact CD1-CG 3.78Å; L101-Y119 HydrophobicContact CD2-CD2 4.27Å; L101-Y119 HydrophobicContact CD2-CG 4.26Å; L101-L130 HydrophobicContact CD1-CD2 3.98Å
102D94.8Very high95.5Very high100 Ų10045.9 Ų45.954%0.53526%0.256SS..THydrogen-bonded Turntrans52.345.2-177-62.5-25.4000113.1K104 K114D102-K104 PolarHBondContact O-N 2.86Å; D102-K114 VanDerWaalsContact OD1-CD 3.29Å; D102-K114 WeakPolarHBondContact OD1-CD 3.28Å; D102-K114 WeakPolarHBondContact OD1-CE 3.14Å; D102-K114 IonicContact OD1-NZ 2.73Å; D102-K114 PolarHBondContact OD1-NZ 2.61Å; D102-K114 WeakPolarHBondContact OD2-CD 3.02Å; D102-K114 WeakPolarHBondContact OD2-CG 3.47Å
103G95.3Very high95.8Very high61 Ų6150.4 Ų50.463%0.62929%0.286SS*.THydrogen-bonded Turntrans726.217900000114.7L101L101-G103 VanDerWaalsContact C-N 3.28Å; L101-G103 PolarHBondContact O-N 2.79Å
104K97.1Very high96Very high141 Ų14151.9 Ų51.961%0.61329%0.292SS*.EExtended strand (participates in β ladder)trans-115.7135.5-179.7-64.2-176.7-178.4-179.10111.4I100 L101 D102I100-K104 WeakPolarHBondContact CA-O 3.32Å; L101-K104 PolarHBondContact N-O 2.69Å; L101-K104 PolarHBondContact O-N 2.92Å; L101-K104 VanDerWaalsContact O-N 3.08Å; D102-K104 PolarHBondContact O-N 2.86Å
105P96.8Very high96.1Very high46 Ų4654.9 Ų54.930%0.29933%0.326SS..EExtended strand (participates in β ladder)trans-58.7141.3171.5-24.734.2000112.2V81 K98 C99 R112V81-P105 HydrophobicContact CG2-CB 4.46Å; V81-P105 HydrophobicContact CG2-CG 4.44Å; K98-P105 HydrophobicContact CD-CB 3.99Å; C99-P105 CarbonylContact O-C 3.53Å; C99-P105 WeakPolarHBondContact O-CA 3.37Å; P105-R112 VanDerWaalsContact O-CZ 3.3Å; P105-R112 PolarHBondContact O-NH1 3.43Å; P105-R112 PolarHBondContact O-NH2 3.03Å
106V97.6Very high96.3Very high1 Ų154.6 Ų54.61%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-123.7122.5176.1-177.80000107.5C99 L101 E110 C121C99-V106 HydrophobicContact CB-CB 4.37Å; C99-V106 PolarHBondContact N-O 3.09Å; C99-V106 VanDerWaalsContact N-O 3.11Å; C99-V106 PolarHBondContact O-N 2.8Å; L101-V106 HydrophobicContact CB-CG2 3.69Å; V106-E110 HydrophobicContact CG1-CB 3.77Å; V106-E110 HydrophobicContact CG1-CG 4.05Å; V106-C121 HydrophobicContact CB-CB 4.36Å; V106-C121 HydrophobicContact CG1-CB 3.89Å
107E97.6Very high96.6Very high90 Ų9055.1 Ų55.142%0.42133%0.327SS..  trans-68.2156.7-178.9-62.7-58.5156.800111.7K98 G109 E110 C121K98-E107 WeakPolarHBondContact CD-OE1 3.34Å; K98-E107 WeakPolarHBondContact CE-OE1 3.5Å; K98-E107 WeakPolarHBondContact CE-OE2 3.35Å; K98-E107 IonicContact NZ-OE1 2.61Å; K98-E107 PolarHBondContact NZ-OE1 3.44Å; K98-E107 IonicContact NZ-OE2 3.93Å; E107-G109 PolarHBondContact O-N 2.9Å; E107-E110 HydrophobicContact CB-CB 4.14Å; E107-E110 PolarHBondContact N-OE2 2.83Å; E107-E110 WeakPolarHBondContact O-CB 3.03Å; E107-E110 PolarHBondContact O-N 2.95Å; E107-C121 WeakPolarHBondContact O-CB 3.15Å
108K96.1Very high96.8Very high86 Ų8654.6 Ų54.637%0.37432%0.324SS..THydrogen-bonded Turntrans-60.6128.5174.1-62.4173.6178.4-174.60110V97 E110 Q123 I128V97-K108 WeakPolarHBondContact O-CE 3.36Å; K108-E110 VanDerWaalsContact C-N 3.26Å; K108-E110 PolarHBondContact O-N 3.02Å; K108-Q123 HydrophobicContact CD-CB 4.35Å; K108-Q123 VanDerWaalsContact CD-OE1 3.3Å; K108-I128 HydrophobicContact CG-CD1 4.06Å
109G96.3Very high96.8Very high58 Ų5851.7 Ų51.760%0.59831%0.312SS*.THydrogen-bonded Turntrans85.9-17-173.900000114.2E107 C121E107-G109 PolarHBondContact O-N 2.9Å; G109-C121 PolarHBondContact N-O 3.41Å
110E97.7Very high96.8Very high58 Ų5852.1 Ų52.127%0.27131%0.314SS..  trans-71.1140.9180-171.6-172.7171.800110.8V106 E107 K108 R112 T120 C121V106-E110 HydrophobicContact CG1-CB 3.77Å; V106-E110 HydrophobicContact CG1-CG 4.05Å; E107-E110 HydrophobicContact CB-CB 4.14Å; E107-E110 PolarHBondContact N-OE2 2.83Å; E107-E110 WeakPolarHBondContact O-CB 3.03Å; E107-E110 PolarHBondContact O-N 2.95Å; K108-E110 VanDerWaalsContact C-N 3.26Å; K108-E110 PolarHBondContact O-N 3.02Å; E110-R112 IonicContact OE1-CZ 3.95Å; E110-R112 IonicContact OE1-NE 3.96Å; E110-R112 PolarHBondContact OE1-NE 3.03Å; E110-R112 IonicContact OE1-NH2 3.65Å; E110-R112 PolarHBondContact OE1-NH2 3.38Å; E110-R112 IonicContact OE2-CZ 3.03Å; E110-R112 IonicContact OE2-NH2 3.83Å; E110-R112 PolarHBondContact OE2-NH2 2.92Å; E110-T120 WeakPolarHBondContact O-CA 3.38Å; E110-C121 PolarHBondContact O-N 3.2Å
111S97.3Very high96.8Very high63 Ų6351.6 Ų51.644%0.44131%0.312SS..EExtended strand (participates in β ladder)trans-116.2137.8174.8-61.10000111.1Y119 T120S111-Y119 CarbonylContact C-O 3.45Å; S111-Y119 WeakPolarHBondContact CA-O 3.41Å; S111-T120 WeakPolarHBondContact OG-CB 3.5Å; S111-T120 WeakPolarHBondContact OG-CG2 3.47Å; S111-T120 PolarHBondContact OG-OG1 3.26Å
112R97.3Very high96.8Very high67 Ų6756.5 Ų56.525%0.25333%0.329SS..EExtended strand (participates in β ladder)trans-135.8139.8175.9-69.1-167.4-175.3154.910.3111.9L101 P105 E110 Y119L101-R112 HydrophobicContact CD2-CB 3.72Å; P105-R112 VanDerWaalsContact O-CZ 3.3Å; P105-R112 PolarHBondContact O-NH1 3.43Å; P105-R112 PolarHBondContact O-NH2 3.03Å; E110-R112 IonicContact OE1-CZ 3.95Å; E110-R112 IonicContact OE1-NE 3.96Å; E110-R112 PolarHBondContact OE1-NE 3.03Å; E110-R112 IonicContact OE1-NH2 3.65Å; E110-R112 PolarHBondContact OE1-NH2 3.38Å; E110-R112 IonicContact OE2-CZ 3.03Å; E110-R112 IonicContact OE2-NH2 3.83Å; E110-R112 PolarHBondContact OE2-NH2 2.92Å; R112-Y119 PolarHBondContact N-O 3.36Å; R112-Y119 PolarHBondContact O-N 2.82Å
113P96.9Very high96.8Very high95 Ų9556.7 Ų56.762%0.61733%0.327SS*.EExtended strand (participates in β ladder)trans-73.1137.9171.531.1-33.7000110.7F117 I136P113-F117 WeakPolarHBondContact CA-O 3.35Å; P113-I136 HydrophobicContact CB-CD1 3.47Å; P113-I136 VanDerWaalsContact CB-CD1 3.47Å
114K95.6Very high96.5Very high78 Ų7858.7 Ų58.734%0.33932%0.32SS..EExtended strand (participates in β ladder)trans-139.1117.2167172.9178.4178162.20109.7L101 D102 S116 F117 Y119L101-K114 HydrophobicContact CD1-CB 4.26Å; L101-K114 HydrophobicContact CD1-CD 3.56Å; L101-K114 HydrophobicContact CD2-CB 4.06Å; L101-K114 HydrophobicContact CG-CB 4.34Å; L101-K114 HydrophobicContact CG-CD 4.09Å; D102-K114 VanDerWaalsContact OD1-CD 3.29Å; D102-K114 WeakPolarHBondContact OD1-CD 3.28Å; D102-K114 WeakPolarHBondContact OD1-CE 3.14Å; D102-K114 IonicContact OD1-NZ 2.73Å; D102-K114 PolarHBondContact OD1-NZ 2.61Å; D102-K114 WeakPolarHBondContact OD2-CD 3.02Å; D102-K114 WeakPolarHBondContact OD2-CG 3.47Å; K114-S116 PolarHBondContact O-N 2.84Å; K114-S116 VanDerWaalsContact O-N 3.1Å; K114-F117 PolarHBondContact N-O 2.96Å; K114-F117 PolarHBondContact O-N 2.85Å; K114-F117 VanDerWaalsContact O-N 3.1Å; K114-Y119 HydrophobicContact CB-CD2 3.78Å; K114-Y119 HydrophobicContact CB-CE2 3.8Å; K114-Y119 HydrophobicContact CD-CE2 4.13Å; K114-Y119 HydrophobicContact CG-CE2 4.25Å
115G94.4Very high96Very high75 Ų7559.4 Ų59.477%0.77334%0.336SS*.THydrogen-bonded Turntrans60.8-111.4-177.400000111.8
116S95.6Very high95.4Very high16 Ų1659 Ų5911%0.11234%0.34CS..THydrogen-bonded Turntrans-10813.7179.7-55.70000113.3K29 K114 I136 Q167K29-S116 WeakPolarHBondContact CD-OG 3.45Å; K29-S116 PolarHBondContact NZ-OG 3.42Å; K114-S116 PolarHBondContact O-N 2.84Å; K114-S116 VanDerWaalsContact O-N 3.1Å; S116-I136 PolarHBondContact O-N 2.71Å; S116-Q167 VanDerWaalsContact CB-NE2 3.34Å; S116-Q167 PolarHBondContact O-NE2 2.83Å
117F97.9Very high95.1Very high10 Ų1059.9 Ų59.94%0.04435%0.347CS..EExtended strand (participates in β ladder)trans-130.8153.7-174.9-58.4-80.2000111.2K29 S31 P113 K114 Y119 I132 G134 I136 V165 Q167K29-F117 HydrophobicContact CB-CZ 4.32Å; S31-F117 VanDerWaalsContact CB-CE2 3.44Å; P113-F117 WeakPolarHBondContact CA-O 3.35Å; K114-F117 PolarHBondContact N-O 2.96Å; K114-F117 PolarHBondContact O-N 2.85Å; K114-F117 VanDerWaalsContact O-N 3.1Å; F117-Y119 HydrophobicContact CB-CD2 4.44Å; F117-Y119 HydrophobicContact CB-CE2 3.98Å; F117-I132 HydrophobicContact CB-CD1 4.46Å; F117-I132 HydrophobicContact CB-CG1 4.39Å; F117-I132 HydrophobicContact CB-CG2 3.91Å; F117-I132 HydrophobicContact CD1-CD1 4.39Å; F117-I132 HydrophobicContact CD1-CG2 3.85Å; F117-I132 HydrophobicContact CG-CD1 4.32Å; F117-I132 HydrophobicContact CG-CG2 4.24Å; F117-G134 WeakPolarHBondContact CA-O 3.06Å; F117-I136 WeakPolarHBondContact O-CD1 3.33Å; F117-V165 HydrophobicContact CD1-CB 4.39Å; F117-V165 HydrophobicContact CD1-CG1 4.12Å; F117-V165 HydrophobicContact CE1-CB 4.24Å; F117-V165 HydrophobicContact CE1-CG1 3.96Å; F117-Q167 HydrophobicContact CE1-CG 3.86Å; F117-Q167 HydrophobicContact CZ-CG 4.07Å
118V98Very high95Very high15 Ų1555.6 Ų55.69%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-103.3124.9168.7-179.70000108.1I132 T133 G134 I136 V142V118-I132 CarbonylContact O-C 3.44Å; V118-I132 VanDerWaalsContact O-CA 3.3Å; V118-I132 WeakPolarHBondContact O-CA 3Å; V118-T133 PolarHBondContact O-N 3.47Å; V118-T133 PolarHBondContact O-OG1 2.89Å; V118-G134 PolarHBondContact N-O 3.1Å; V118-I136 HydrophobicContact CG2-CD1 4.02Å; V118-I136 HydrophobicContact CG2-CG1 3.72Å; V118-V142 HydrophobicContact CB-CG1 4.31Å; V118-V142 HydrophobicContact CG2-CB 4.3Å; V118-V142 HydrophobicContact CG2-CG1 3.63Å; V118-V142 HydrophobicContact CG2-CG2 3.66Å
119Y98.2Very high94.9Very high4 Ų451.5 Ų51.52%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-101.5143.6175.7-74-94.6000109.9S31 S32 L101 S111 R112 K114 F117 L130 E131 I132S31-Y119 WeakPolarHBondContact CB-OH 3.2Å; S31-Y119 PolarHBondContact OG-OH 2.86Å; S32-Y119 PolarHBondContact O-OH 2.96Å; L101-Y119 HydrophobicContact CD1-CD1 4.14Å; L101-Y119 HydrophobicContact CD1-CD2 3.91Å; L101-Y119 HydrophobicContact CD1-CE2 4.32Å; L101-Y119 HydrophobicContact CD1-CG 3.78Å; L101-Y119 HydrophobicContact CD2-CD2 4.27Å; L101-Y119 HydrophobicContact CD2-CG 4.26Å; S111-Y119 CarbonylContact C-O 3.45Å; S111-Y119 WeakPolarHBondContact CA-O 3.41Å; R112-Y119 PolarHBondContact N-O 3.36Å; R112-Y119 PolarHBondContact O-N 2.82Å; K114-Y119 HydrophobicContact CB-CD2 3.78Å; K114-Y119 HydrophobicContact CB-CE2 3.8Å; K114-Y119 HydrophobicContact CD-CE2 4.13Å; K114-Y119 HydrophobicContact CG-CE2 4.25Å; F117-Y119 HydrophobicContact CB-CD2 4.44Å; F117-Y119 HydrophobicContact CB-CE2 3.98Å; Y119-L130 HydrophobicContact CD1-CD1 4.24Å; Y119-L130 HydrophobicContact CD1-CD2 4.49Å; Y119-L130 HydrophobicContact CD1-CG 3.89Å; Y119-E131 CarbonylContact C-O 3.49Å; Y119-E131 VanDerWaalsContact CA-O 3.28Å; Y119-E131 WeakPolarHBondContact CA-O 3.39Å; Y119-I132 HydrophobicContact CD1-CG1 3.8Å; Y119-I132 HydrophobicContact CE1-CD1 4.04Å; Y119-I132 HydrophobicContact CE1-CG1 3.4Å; Y119-I132 HydrophobicContact CE2-CG1 4.18Å; Y119-I132 HydrophobicContact CG-CG1 4.39Å
120T98Very high95Very high8 Ų848.9 Ų48.95%0.04928%0.282CS..EExtended strand (participates in β ladder)trans-132.5130.4177.1-53.50000108.9E110 S111 R122 E131 T133E110-T120 WeakPolarHBondContact O-CA 3.38Å; S111-T120 WeakPolarHBondContact OG-CB 3.5Å; S111-T120 WeakPolarHBondContact OG-CG2 3.47Å; S111-T120 PolarHBondContact OG-OG1 3.26Å; T120-R122 HydrophobicContact CG2-CG 3.86Å; T120-R122 PolarHBondContact O-N 3.09Å; T120-E131 PolarHBondContact N-O 2.88Å; T120-E131 PolarHBondContact O-N 3.23Å; T120-T133 HydrophobicContact CG2-CG2 4.4Å; T120-T133 WeakPolarHBondContact OG1-CG2 3.36Å; T120-T133 PolarHBondContact OG1-OG1 2.85Å
121C98Very high94.9Very high0 Ų047.3 Ų47.30%028%0.275CS..EExtended strand (participates in β ladder)trans-81.7105.3173.4-171.10000109.3C99 V106 E107 G109 E110 I128 S129C99-C121 HydrophobicContact CB-CB 3.62Å; C99-C121 WeakPolarHBondContact CB-SG 3.49Å; C99-C121 PolarHBondContact N-SG 2.92Å; C99-C121 WeakPolarHBondContact SG-CA 3.49Å; C99-C121 WeakPolarHBondContact SG-CB 3.33Å; C99-C121 CovalentContact SG-SG 2.04Å; C99-C121 PolarHBondContact SG-SG 3.22Å; V106-C121 HydrophobicContact CB-CB 4.36Å; V106-C121 HydrophobicContact CG1-CB 3.89Å; E107-C121 WeakPolarHBondContact O-CB 3.15Å; G109-C121 PolarHBondContact N-O 3.41Å; E110-C121 PolarHBondContact O-N 3.2Å; C121-I128 VanDerWaalsContact SG-CD1 3.58Å; C121-S129 CarbonylContact C-O 3.52Å; C121-S129 WeakPolarHBondContact CA-O 3.24Å
122R96.5Very high94.9Very high115 Ų11544.4 Ų44.443%0.43425%0.254SS..EExtended strand (participates in β ladder)trans-106.6138.6-177.7-72.2177.6167.3-176.5-4.6110.6T120 I128 S129 E131T120-R122 HydrophobicContact CG2-CG 3.86Å; T120-R122 PolarHBondContact O-N 3.09Å; R122-I128 CarbonylContact O-C 3.56Å; R122-I128 WeakPolarHBondContact O-CA 3.39Å; R122-I128 VanDerWaalsContact O-CG1 3.28Å; R122-I128 WeakPolarHBondContact O-CG1 3.4Å; R122-S129 PolarHBondContact N-O 2.78Å; R122-S129 PolarHBondContact O-N 2.9Å; R122-S129 PolarHBondContact O-OG 2.76Å; R122-E131 WeakPolarHBondContact CD-OE2 3.44Å; R122-E131 IonicContact CZ-OE2 3.52Å; R122-E131 IonicContact NE-OE2 2.82Å; R122-E131 IonicContact NH1-OE2 2.99Å; R122-E131 PolarHBondContact NH1-OE2 2.92Å; R122-E131 VanDerWaalsContact NH1-OE2 3.1Å
123Q94.2Very high94.9Very high104 Ų10442.6 Ų42.649%0.48625%0.251SS..EExtended strand (participates in β ladder)trans-102.2124.8168.4-172.5175.78.300108.2Y38 K108Y38-Q123 PolarHBondContact OH-NE2 3.08Å; K108-Q123 HydrophobicContact CD-CB 4.35Å; K108-Q123 VanDerWaalsContact CD-OE1 3.3Å
124Q89.2Confident95Very high103 Ų10338.1 Ų38.148%0.48122%0.221SC..EExtended strand (participates in β ladder)trans-115.9163.7172.6-62.1-177.27.200109.1G126 A127 E131Q124-G126 PolarHBondContact O-N 3.16Å; Q124-A127 PolarHBondContact N-O 3.34Å; Q124-A127 PolarHBondContact O-N 3.35Å; Q124-A127 VanDerWaalsContact O-N 3.07Å; Q124-E131 PolarHBondContact NE2-OE1 3.23Å
125T86.1Confident95.1Very high155 Ų15534.4 Ų34.495%0.95121%0.205SC*.THydrogen-bonded Turntrans-58.2114.2174.3-51.90000108.9
126G84.7Confident95.3Very high37 Ų3731.7 Ų31.738%0.38117%0.173SC..THydrogen-bonded Turntrans89.7-4.1179.800000115.8Y38 Q124Y38-G126 VanDerWaalsContact CB-O 3.28Å; Y38-G126 WeakPolarHBondContact CB-O 3.27Å; Y38-G126 VanDerWaalsContact CD2-O 3.23Å; Y38-G126 WeakPolarHBondContact CD2-O 3.13Å; Y38-G126 PolarHBondContact N-O 2.75Å; Q124-G126 PolarHBondContact O-N 3.16Å
127A91.1Very high95.3Very high20 Ų2031.4 Ų31.417%0.16517%0.173CC..EExtended strand (participates in β ladder)trans-154.3161.3176.700000114.8Y36 Y38 Q124Y36-A127 VanDerWaalsContact O-CA 3.25Å; Y36-A127 WeakPolarHBondContact O-CA 3.3Å; Y36-A127 WeakPolarHBondContact O-CB 3.28Å; Y38-A127 VanDerWaalsContact CE2-C 3.42Å; Y38-A127 WeakPolarHBondContact CE2-O 3.33Å; Q124-A127 PolarHBondContact N-O 3.34Å; Q124-A127 PolarHBondContact O-N 3.35Å; Q124-A127 VanDerWaalsContact O-N 3.07Å
128I95.1Very high95.1Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-109.7148.7155-151.8172000108.1Y36 F80 P96 K108 C121 R122Y36-I128 PolarHBondContact N-O 3.03Å; Y36-I128 PolarHBondContact O-N 2.74Å; F80-I128 HydrophobicContact CD1-CG2 3.38Å; F80-I128 HydrophobicContact CE1-CG2 3.51Å; F80-I128 HydrophobicContact CG-CG2 4.27Å; F80-I128 HydrophobicContact CZ-CG2 4.47Å; P96-I128 HydrophobicContact CB-CB 4.09Å; P96-I128 HydrophobicContact CB-CG2 3.34Å; P96-I128 HydrophobicContact CG-CB 3.98Å; P96-I128 HydrophobicContact CG-CG2 3.5Å; K108-I128 HydrophobicContact CG-CD1 4.06Å; C121-I128 VanDerWaalsContact SG-CD1 3.58Å; R122-I128 CarbonylContact O-C 3.56Å; R122-I128 WeakPolarHBondContact O-CA 3.39Å; R122-I128 VanDerWaalsContact O-CG1 3.28Å; R122-I128 WeakPolarHBondContact O-CG1 3.4Å
129S95.6Very high94.8Very high1 Ų137.2 Ų37.21%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-138.6140.2178.457.60000111.4Y34 H35 C121 R122 E131Y34-S129 CarbonylContact O-C 3.59Å; Y34-S129 VanDerWaalsContact O-CA 3.28Å; Y34-S129 WeakPolarHBondContact O-CA 3.49Å; H35-S129 WeakPolarHBondContact ND1-CB 3.29Å; C121-S129 CarbonylContact C-O 3.52Å; C121-S129 WeakPolarHBondContact CA-O 3.24Å; R122-S129 PolarHBondContact N-O 2.78Å; R122-S129 PolarHBondContact O-N 2.9Å; R122-S129 PolarHBondContact O-OG 2.76Å; S129-E131 WeakPolarHBondContact CB-OE1 3.09Å; S129-E131 WeakPolarHBondContact OG-CG 3.48Å; S129-E131 PolarHBondContact OG-OE1 3.35Å
130L96.9Very high94.6Very high2 Ų244.8 Ų44.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-98.288166.9-177.261.4000106.6S33 Y34 F80 C99 I100 L101 Y119S33-L130 WeakPolarHBondContact CA-O 3.5Å; Y34-L130 HydrophobicContact CD2-CD2 4.31Å; Y34-L130 PolarHBondContact N-O 2.04Å; Y34-L130 PolarHBondContact O-N 2.9Å; F80-L130 HydrophobicContact CE1-CB 4.42Å; C99-L130 HydrophobicContact CB-CB 4.16Å; C99-L130 HydrophobicContact CB-CD1 3.88Å; C99-L130 HydrophobicContact CB-CG 4.42Å; I100-L130 VanDerWaalsContact O-CD2 3.29Å; I100-L130 WeakPolarHBondContact O-CD2 3.32Å; L101-L130 HydrophobicContact CD1-CD2 3.98Å; Y119-L130 HydrophobicContact CD1-CD1 4.24Å; Y119-L130 HydrophobicContact CD1-CD2 4.49Å; Y119-L130 HydrophobicContact CD1-CG 3.89Å
131E96.7Very high94.5Very high25 Ų2547.1 Ų47.112%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-95.9139.9-172.1-72.1174.2-165.500111.3H35 Y119 T120 R122 Q124 S129 T133H35-E131 IonicContact CE1-OE1 2.66Å; Y119-E131 CarbonylContact C-O 3.49Å; Y119-E131 VanDerWaalsContact CA-O 3.28Å; Y119-E131 WeakPolarHBondContact CA-O 3.39Å; T120-E131 PolarHBondContact N-O 2.88Å; T120-E131 PolarHBondContact O-N 3.23Å; R122-E131 WeakPolarHBondContact CD-OE2 3.44Å; R122-E131 IonicContact CZ-OE2 3.52Å; R122-E131 IonicContact NE-OE2 2.82Å; R122-E131 IonicContact NH1-OE2 2.99Å; R122-E131 PolarHBondContact NH1-OE2 2.92Å; R122-E131 VanDerWaalsContact NH1-OE2 3.1Å; Q124-E131 PolarHBondContact NE2-OE1 3.23Å; S129-E131 WeakPolarHBondContact CB-OE1 3.09Å; S129-E131 WeakPolarHBondContact OG-CG 3.48Å; S129-E131 PolarHBondContact OG-OE1 3.35Å; E131-T133 PolarHBondContact O-N 2.99Å
132I97.8Very high94.5Very high3 Ų351.1 Ų51.12%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-75121.4165-62.1166.9000107.7S31 S33 F117 V118 Y119 G134 I145 V165S31-I132 VanDerWaalsContact C-CD1 3.46Å; S31-I132 WeakPolarHBondContact O-CD1 3.35Å; S33-I132 PolarHBondContact OG-N 3.27Å; F117-I132 HydrophobicContact CB-CD1 4.46Å; F117-I132 HydrophobicContact CB-CG1 4.39Å; F117-I132 HydrophobicContact CB-CG2 3.91Å; F117-I132 HydrophobicContact CD1-CD1 4.39Å; F117-I132 HydrophobicContact CD1-CG2 3.85Å; F117-I132 HydrophobicContact CG-CD1 4.32Å; F117-I132 HydrophobicContact CG-CG2 4.24Å; V118-I132 CarbonylContact O-C 3.44Å; V118-I132 VanDerWaalsContact O-CA 3.3Å; V118-I132 WeakPolarHBondContact O-CA 3Å; Y119-I132 HydrophobicContact CD1-CG1 3.8Å; Y119-I132 HydrophobicContact CE1-CD1 4.04Å; Y119-I132 HydrophobicContact CE1-CG1 3.4Å; Y119-I132 HydrophobicContact CE2-CG1 4.18Å; Y119-I132 HydrophobicContact CG-CG1 4.39Å; I132-G134 WeakPolarHBondContact CG2-O 3.44Å; I132-I145 VanDerWaalsContact O-CD1 3.27Å; I132-I145 WeakPolarHBondContact O-CD1 3.49Å; I132-V165 HydrophobicContact CB-CB 4.1Å; I132-V165 HydrophobicContact CB-CG2 3.65Å; I132-V165 HydrophobicContact CD1-CB 3.96Å; I132-V165 HydrophobicContact CD1-CG2 4.17Å; I132-V165 HydrophobicContact CG2-CB 3.73Å; I132-V165 HydrophobicContact CG2-CG1 3.9Å; I132-V165 HydrophobicContact CG2-CG2 3.67Å
133T97.4Very high94.5Very high29 Ų2946 Ų4618%0.17829%0.285CS..EExtended strand (participates in β ladder)trans-106.5-13.2-178.952.30000113.3V118 T120 E131V118-T133 PolarHBondContact O-N 3.47Å; V118-T133 PolarHBondContact O-OG1 2.89Å; T120-T133 HydrophobicContact CG2-CG2 4.4Å; T120-T133 WeakPolarHBondContact OG1-CG2 3.36Å; T120-T133 PolarHBondContact OG1-OG1 2.85Å; E131-T133 PolarHBondContact O-N 2.99Å
134G97.9Very high94.7Very high0 Ų044.5 Ų44.50%028%0.284CS..EExtended strand (participates in β ladder)trans-166.5172.9178.200000114.4F117 V118 I132 A143F117-G134 WeakPolarHBondContact CA-O 3.06Å; V118-G134 PolarHBondContact N-O 3.1Å; I132-G134 WeakPolarHBondContact CG2-O 3.44Å; G134-A143 CarbonylContact C-O 3.49Å; G134-A143 WeakPolarHBondContact CA-O 3.39Å
135C98.1Very high95.1Very high0 Ų042.3 Ų42.30%028%0.275CS..EExtended strand (participates in β ladder)trans-111.8143.3176.6-66.40000109.9V142 A143 F149 C158 Q167C135-V142 WeakPolarHBondContact O-CA 3.27Å; C135-A143 PolarHBondContact N-O 3.47Å; C135-A143 PolarHBondContact O-N 3.04Å; C135-F149 HydrophobicContact CB-CD1 4.15Å; C135-F149 HydrophobicContact CB-CE1 3.46Å; C135-F149 VanDerWaalsContact CB-CE1 3.46Å; C135-F149 HydrophobicContact CB-CE2 4.47Å; C135-F149 HydrophobicContact CB-CZ 3.65Å; C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.49Å; C135-C158 PolarHBondContact N-SG 2.83Å; C135-C158 VanDerWaalsContact SG-CA 3.52Å; C135-C158 WeakPolarHBondContact SG-CB 3.29Å; C135-C158 CovalentContact SG-SG 2.04Å; C135-C158 PolarHBondContact SG-SG 2.79Å; C135-Q167 HydrophobicContact CB-CG 4.17Å
136I97.5Very high95.6Very high18 Ų1837.2 Ų37.29%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-98.1124.6-179.6-54.8173000109.4P113 S116 F117 V118P113-I136 HydrophobicContact CB-CD1 3.47Å; P113-I136 VanDerWaalsContact CB-CD1 3.47Å; S116-I136 PolarHBondContact O-N 2.71Å; F117-I136 WeakPolarHBondContact O-CD1 3.33Å; V118-I136 HydrophobicContact CG2-CD1 4.02Å; V118-I136 HydrophobicContact CG2-CG1 3.72Å
137G95.8Very high96.3Very high11 Ų1141.7 Ų41.711%0.11326%0.262CS..  trans-102.1-158.717500000113.6A141 T150G137-A141 PolarHBondContact N-O 3.08Å; G137-T150 VanDerWaalsContact CA-O 3.27Å; G137-T150 WeakPolarHBondContact CA-O 3.24Å
138D93.4Very high96.6Very high67 Ų6745 Ų4536%0.35828%0.28SS..G310 helixtrans-62.4150.1174.1-63.2-36.9000111.7H140 A141 T150 R151 K152D138-H140 PolarHBondContact O-N 2.63Å; D138-H140 VanDerWaalsContact O-N 3.13Å; D138-A141 WeakPolarHBondContact O-CB 3.31Å; D138-A141 PolarHBondContact O-N 3.13Å; D138-A141 VanDerWaalsContact O-N 3.09Å; D138-T150 PolarHBondContact N-O 3.1Å; D138-R151 VanDerWaalsContact CG-CA 3.47Å; D138-R151 VanDerWaalsContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD2-CA 3.37Å; D138-R151 PolarHBondContact OD2-N 2.95Å; D138-K152 VanDerWaalsContact CG-N 3.28Å; D138-K152 PolarHBondContact OD1-N 3.04Å; D138-K152 PolarHBondContact OD2-N 2.93Å
139G93.5Very high96.7Very high80 Ų8045.9 Ų45.983%0.82528%0.284SS*.G310 helixtrans60.622.6179.600000114.5A141G139-A141 PolarHBondContact O-N 2.66Å
140H93Very high96.6Very high162 Ų16248.5 Ų48.575%0.7530%0.3SS*.G310 helixtrans61.318.1-173.6-57-79.1000114.9D138 V142D138-H140 PolarHBondContact O-N 2.63Å; D138-H140 VanDerWaalsContact O-N 3.13Å; H140-V142 PolarHBondContact O-N 2.87Å
141A95.8Very high96.4Very high58 Ų5849.9 Ų49.948%0.47931%0.305SS..PPolyproline II helixtrans-61.8130.5175.300000110.7G137 D138 G139G137-A141 PolarHBondContact N-O 3.08Å; D138-A141 WeakPolarHBondContact O-CB 3.31Å; D138-A141 PolarHBondContact O-N 3.13Å; D138-A141 VanDerWaalsContact O-N 3.09Å; G139-A141 PolarHBondContact O-N 2.66Å
142V97.2Very high96.2Very high84 Ų8455 Ų5551%0.50933%0.327SS..EExtended strand (participates in β ladder)trans-98.2117179.6-178.50000109.3V118 C135 H140V118-V142 HydrophobicContact CB-CG1 4.31Å; V118-V142 HydrophobicContact CG2-CB 4.3Å; V118-V142 HydrophobicContact CG2-CG1 3.63Å; V118-V142 HydrophobicContact CG2-CG2 3.66Å; C135-V142 WeakPolarHBondContact O-CA 3.27Å; H140-V142 PolarHBondContact O-N 2.87Å
143A97.8Very high95.9Very high7 Ų756.8 Ų56.86%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-93.3124.4168.800000110.7G134 C135 K147 F149G134-A143 CarbonylContact C-O 3.49Å; G134-A143 WeakPolarHBondContact CA-O 3.39Å; C135-A143 PolarHBondContact N-O 3.47Å; C135-A143 PolarHBondContact O-N 3.04Å; A143-K147 HydrophobicContact CB-CB 4.4Å; A143-F149 HydrophobicContact CB-CB 3.69Å; A143-F149 HydrophobicContact CB-CD1 3.68Å; A143-F149 HydrophobicContact CB-CG 3.95Å
144P97.8Very high95.8Very high73 Ų7355.5 Ų55.547%0.47433%0.332SS..EExtended strand (participates in β ladder)trans-57.3158.2169.6-23.333.3000112G146 K147P144-G146 PolarHBondContact O-N 2.78Å; P144-K147 HydrophobicContact CB-CG 4.14Å; P144-K147 HydrophobicContact CG-CG 4.32Å; P144-K147 WeakPolarHBondContact O-CB 3.43Å; P144-K147 PolarHBondContact O-N 2.79Å
145I97.7Very high95.7Very high57 Ų5755.9 Ų55.929%0.29233%0.334SS..THydrogen-bonded Turntrans-53.5135.9169.4-65.9163.7000109.8I132 K147 Q160 V165I132-I145 VanDerWaalsContact O-CD1 3.27Å; I132-I145 WeakPolarHBondContact O-CD1 3.49Å; I145-K147 VanDerWaalsContact C-N 3.31Å; I145-Q160 HydrophobicContact CD1-CB 4.33Å; I145-Q160 HydrophobicContact CG2-CB 3.78Å; I145-V165 HydrophobicContact CD1-CG2 4.25Å
146G97.6Very high95.6Very high47 Ų4755.9 Ų55.949%0.48533%0.334SS..THydrogen-bonded Turntrans85.4-8.6-176.300000114.6P144 C158P144-G146 PolarHBondContact O-N 2.78Å; G146-C158 WeakPolarHBondContact CA-O 3.24Å; G146-C158 PolarHBondContact N-O 3.27Å
147K98.1Very high95.6Very high132 Ų13257 Ų5757%0.57434%0.339SS*.  trans-98.8152.7179.7-58.9-59.7-176.1179.40112.3A143 P144 I145 C158A143-K147 HydrophobicContact CB-CB 4.4Å; P144-K147 HydrophobicContact CB-CG 4.14Å; P144-K147 HydrophobicContact CG-CG 4.32Å; P144-K147 WeakPolarHBondContact O-CB 3.43Å; P144-K147 PolarHBondContact O-N 2.79Å; I145-K147 VanDerWaalsContact C-N 3.31Å; K147-C158 PolarHBondContact O-N 2.82Å
148T97Very high95.7Very high90 Ų9056.4 Ų56.455%0.55233%0.334SS*.EExtended strand (participates in β ladder)trans-86.5150.6175.151.50000111.3F156 I157T148-F156 CarbonylContact C-O 3.52Å; T148-F156 WeakPolarHBondContact CA-O 2.97Å; T148-F156 WeakPolarHBondContact CB-O 3.44Å; T148-I157 HydrophobicContact CG2-CB 4.17Å; T148-I157 HydrophobicContact CG2-CG1 4.39Å
149F96.9Very high95.9Very high18 Ų1855.3 Ų55.38%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-148.6163.8174.261.5-79.1000110.6C135 A143 R151 F156 C158 Q167C135-F149 HydrophobicContact CB-CD1 4.15Å; C135-F149 HydrophobicContact CB-CE1 3.46Å; C135-F149 VanDerWaalsContact CB-CE1 3.46Å; C135-F149 HydrophobicContact CB-CE2 4.47Å; C135-F149 HydrophobicContact CB-CZ 3.65Å; A143-F149 HydrophobicContact CB-CB 3.69Å; A143-F149 HydrophobicContact CB-CD1 3.68Å; A143-F149 HydrophobicContact CB-CG 3.95Å; F149-R151 HydrophobicContact CE2-CB 4.43Å; F149-F156 HydrophobicContact CD1-CB 4.05Å; F149-F156 HydrophobicContact CD2-CB 4.24Å; F149-F156 HydrophobicContact CE1-CB 3.54Å; F149-F156 HydrophobicContact CE2-CB 3.79Å; F149-F156 HydrophobicContact CE2-CD2 4.17Å; F149-F156 HydrophobicContact CE2-CG 4.11Å; F149-F156 HydrophobicContact CG-CB 4.37Å; F149-F156 HydrophobicContact CZ-CB 3.39Å; F149-F156 AromaticContact CZ-CG 4Å; F149-F156 HydrophobicContact CZ-CG 4Å; F149-F156 PolarHBondContact N-O 2.84Å; F149-F156 PolarHBondContact O-N 2.88Å; F149-C158 HydrophobicContact CE1-CB 4.14Å; F149-Q167 HydrophobicContact CZ-CB 4.12Å; F149-Q167 HydrophobicContact CZ-CG 3.83Å
150T95.5Very high96Very high55 Ų5556.2 Ų56.234%0.33731%0.31SS..EExtended strand (participates in β ladder)trans-100.3145175.161.30000110.3G137 D138 F154 I173G137-T150 VanDerWaalsContact CA-O 3.27Å; G137-T150 WeakPolarHBondContact CA-O 3.24Å; D138-T150 PolarHBondContact N-O 3.1Å; T150-F154 WeakPolarHBondContact CA-O 3.27Å; T150-I173 HydrophobicContact CG2-CD1 3.59Å
151R92.4Very high96.1Very high31 Ų3154.3 Ų54.312%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-144.6116.1166.3-174.6-179.764.7-165.9-6.1109.5D138 F149 F154 F156 Q167D138-R151 VanDerWaalsContact CG-CA 3.47Å; D138-R151 VanDerWaalsContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD1-CA 3.29Å; D138-R151 WeakPolarHBondContact OD2-CA 3.37Å; D138-R151 PolarHBondContact OD2-N 2.95Å; F149-R151 HydrophobicContact CE2-CB 4.43Å; R151-F154 PolarHBondContact N-O 2.9Å; R151-F154 PolarHBondContact O-N 2.93Å; R151-F156 HydrophobicContact CB-CD2 3.93Å; R151-F156 HydrophobicContact CB-CE2 3.68Å; R151-Q167 VanDerWaalsContact CZ-OE1 3.28Å
152K91.1Very high96Very high134 Ų13454.4 Ų54.458%0.58331%0.308SS*.THydrogen-bonded Turntrans52-138.6-167.4-54.8-179173.5-166.70109.5D138 F154D138-K152 VanDerWaalsContact CG-N 3.28Å; D138-K152 PolarHBondContact OD1-N 3.04Å; D138-K152 PolarHBondContact OD2-N 2.93Å; K152-F154 PolarHBondContact O-N 3.44Å
153S92.9Very high95.8Very high40 Ų4054.5 Ų54.528%0.2831%0.306SS..THydrogen-bonded Turntrans-81.230.8-179.2-48.50000114.2I173S153-I173 PolarHBondContact O-N 2.83Å
154F95.3Very high95.7Very high2 Ų256.2 Ų56.21%0.00932%0.316CS..EExtended strand (participates in β ladder)trans-140.6148.2-175.3-57.8-76.9000113.2E23 S24 V26 T150 R151 K152 F156 G171 C172 I202E23-F154 WeakPolarHBondContact O-CE2 3.4Å; S24-F154 WeakPolarHBondContact O-CZ 3.44Å; V26-F154 HydrophobicContact CB-CD2 3.8Å; V26-F154 HydrophobicContact CB-CE2 3.84Å; V26-F154 HydrophobicContact CB-CG 4.31Å; V26-F154 HydrophobicContact CB-CZ 4.38Å; V26-F154 HydrophobicContact CG1-CB 4.21Å; V26-F154 HydrophobicContact CG1-CD1 3.95Å; V26-F154 HydrophobicContact CG1-CD2 3.67Å; V26-F154 HydrophobicContact CG1-CE1 4.23Å; V26-F154 HydrophobicContact CG1-CE2 3.97Å; V26-F154 HydrophobicContact CG1-CG 3.65Å; V26-F154 HydrophobicContact CG1-CZ 4.24Å; T150-F154 WeakPolarHBondContact CA-O 3.27Å; R151-F154 PolarHBondContact N-O 2.9Å; R151-F154 PolarHBondContact O-N 2.93Å; K152-F154 PolarHBondContact O-N 3.44Å; F154-F156 HydrophobicContact CB-CD2 4.31Å; F154-F156 HydrophobicContact CB-CE2 3.52Å; F154-F156 HydrophobicContact CB-CZ 3.94Å; F154-G171 WeakPolarHBondContact CA-O 3.47Å; F154-C172 HydrophobicContact CD1-CB 4.48Å; F154-I202 HydrophobicContact CB-CD1 4.37Å; F154-I202 HydrophobicContact CD1-CD1 3.53Å; F154-I202 HydrophobicContact CD1-CG1 3.55Å; F154-I202 HydrophobicContact CE1-CD1 4.27Å; F154-I202 HydrophobicContact CE1-CG1 3.87Å; F154-I202 HydrophobicContact CG-CD1 4.32Å; F154-I202 HydrophobicContact CG-CG1 4.41Å
155T96Very high95.7Very high7 Ų752.8 Ų52.84%0.04329%0.293CS..EExtended strand (participates in β ladder)trans-101.2130.4171.4-53.30000109.6V170 G171T155-V170 HydrophobicContact CG2-CG2 3.94Å; T155-V170 WeakPolarHBondContact O-CG2 3.02Å; T155-V170 PolarHBondContact O-N 3.36Å; T155-G171 PolarHBondContact N-O 2.87Å; T155-G171 PolarHBondContact O-N 3.1Å
156F96.2Very high95.6Very high0 Ų051.1 Ų51.10%029%0.285CS..EExtended strand (participates in β ladder)trans-117.7161.1177.8-64.7-95.9000110.5V26 T148 F149 R151 F154 Q167 K168 A169V26-F156 HydrophobicContact CB-CZ 4.13Å; V26-F156 HydrophobicContact CG1-CE1 4.08Å; V26-F156 HydrophobicContact CG1-CZ 3.59Å; V26-F156 HydrophobicContact CG2-CE1 4.16Å; V26-F156 HydrophobicContact CG2-CZ 3.56Å; T148-F156 CarbonylContact C-O 3.52Å; T148-F156 WeakPolarHBondContact CA-O 2.97Å; T148-F156 WeakPolarHBondContact CB-O 3.44Å; F149-F156 HydrophobicContact CD1-CB 4.05Å; F149-F156 HydrophobicContact CD2-CB 4.24Å; F149-F156 HydrophobicContact CE1-CB 3.54Å; F149-F156 HydrophobicContact CE2-CB 3.79Å; F149-F156 HydrophobicContact CE2-CD2 4.17Å; F149-F156 HydrophobicContact CE2-CG 4.11Å; F149-F156 HydrophobicContact CG-CB 4.37Å; F149-F156 HydrophobicContact CZ-CB 3.39Å; F149-F156 AromaticContact CZ-CG 4Å; F149-F156 HydrophobicContact CZ-CG 4Å; F149-F156 PolarHBondContact N-O 2.84Å; F149-F156 PolarHBondContact O-N 2.88Å; R151-F156 HydrophobicContact CB-CD2 3.93Å; R151-F156 HydrophobicContact CB-CE2 3.68Å; F154-F156 HydrophobicContact CB-CD2 4.31Å; F154-F156 HydrophobicContact CB-CE2 3.52Å; F154-F156 HydrophobicContact CB-CZ 3.94Å; F156-Q167 HydrophobicContact CD1-CB 4.19Å; F156-K168 CarbonylContact C-O 3.53Å; F156-K168 VanDerWaalsContact CA-O 3.27Å; F156-K168 WeakPolarHBondContact CA-O 3.47Å; F156-A169 HydrophobicContact CD1-CB 3.85Å; F156-A169 HydrophobicContact CE1-CB 3.59Å; F156-A169 HydrophobicContact CZ-CB 4.23Å
157I96.6Very high95.5Very high41 Ų4148.9 Ų48.921%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-121.1135.7164-174.7170.2000109T148 I159 K168 V170T148-I157 HydrophobicContact CG2-CB 4.17Å; T148-I157 HydrophobicContact CG2-CG1 4.39Å; I157-I159 HydrophobicContact CB-CG1 4.43Å; I157-I159 HydrophobicContact CD1-CG1 4.4Å; I157-I159 HydrophobicContact CG1-CG1 4.05Å; I157-I159 HydrophobicContact CG2-CD1 3.57Å; I157-I159 HydrophobicContact CG2-CG1 3.77Å; I157-K168 HydrophobicContact CG2-CB 3.98Å; I157-K168 PolarHBondContact N-O 2.97Å; I157-K168 PolarHBondContact O-N 3.14Å; I157-V170 HydrophobicContact CB-CG1 4.31Å; I157-V170 HydrophobicContact CG2-CG1 3.5Å; I157-V170 VanDerWaalsContact CG2-CG1 3.5Å
158C97.7Very high95.3Very high0 Ų047.6 Ų47.60%026%0.256CS..EExtended strand (participates in β ladder)trans-82.7110175-163.40000109C135 G146 K147 F149C135-C158 HydrophobicContact CB-CB 3.62Å; C135-C158 WeakPolarHBondContact CB-SG 3.49Å; C135-C158 PolarHBondContact N-SG 2.83Å; C135-C158 VanDerWaalsContact SG-CA 3.52Å; C135-C158 WeakPolarHBondContact SG-CB 3.29Å; C135-C158 CovalentContact SG-SG 2.04Å; C135-C158 PolarHBondContact SG-SG 2.79Å; G146-C158 WeakPolarHBondContact CA-O 3.24Å; G146-C158 PolarHBondContact N-O 3.27Å; K147-C158 PolarHBondContact O-N 2.82Å; F149-C158 HydrophobicContact CE1-CB 4.14Å
159I96.9Very high95.2Very high43 Ų4343.7 Ų43.722%0.22123%0.233CC..EExtended strand (participates in β ladder)trans-117.8132.8-175-61.8174000109.7I157 Q161 V165 I166 K168I157-I159 HydrophobicContact CB-CG1 4.43Å; I157-I159 HydrophobicContact CD1-CG1 4.4Å; I157-I159 HydrophobicContact CG1-CG1 4.05Å; I157-I159 HydrophobicContact CG2-CD1 3.57Å; I157-I159 HydrophobicContact CG2-CG1 3.77Å; I159-Q161 HydrophobicContact CG2-CG 4.06Å; I159-V165 CarbonylContact O-C 3.49Å; I159-V165 WeakPolarHBondContact O-CA 3.34Å; I159-I166 PolarHBondContact N-O 2.91Å; I159-I166 PolarHBondContact O-N 3.38Å; I159-K168 HydrophobicContact CD1-CB 3.92Å; I159-K168 HydrophobicContact CD1-CD 3.75Å; I159-K168 HydrophobicContact CD1-CG 4.49Å
160Q97Very high95.1Very high99 Ų9945.2 Ų45.246%0.46324%0.244SC..EExtended strand (participates in β ladder)trans-93.4132.1168.7-174.4172.910.700110.6I145 G162 V165I145-Q160 HydrophobicContact CD1-CB 4.33Å; I145-Q160 HydrophobicContact CG2-CB 3.78Å; Q160-G162 WeakPolarHBondContact CG-O 3.49Å; Q160-G162 PolarHBondContact NE2-O 2.82Å; Q160-G162 VanDerWaalsContact NE2-O 3.16Å; Q160-V165 HydrophobicContact CB-CG2 4.25Å; Q160-V165 HydrophobicContact CG-CG2 4.21Å
161Q94.9Very high95.2Very high123 Ų12342.8 Ų42.858%0.57523%0.229SC*.EExtended strand (participates in β ladder)trans-13092.5174.7-65.6-170.3-17.300108.4I159 N163 T164 I166I159-Q161 HydrophobicContact CG2-CG 4.06Å; Q161-N163 PolarHBondContact O-N 3.05Å; Q161-T164 CarbonylContact C-O 3.52Å; Q161-T164 PolarHBondContact N-O 2.78Å; Q161-T164 PolarHBondContact O-N 3.16Å; Q161-T164 VanDerWaalsContact O-N 3.08Å; Q161-I166 HydrophobicContact CG-CD1 4.28Å
162G93.7Very high95.4Very high59 Ų5941.3 Ų41.361%0.60822%0.224SC*.THydrogen-bonded Turntrans62.8-124.5-170.700000111.3Q160 T164Q160-G162 WeakPolarHBondContact CG-O 3.49Å; Q160-G162 PolarHBondContact NE2-O 2.82Å; Q160-G162 VanDerWaalsContact NE2-O 3.16Å; G162-T164 VanDerWaalsContact C-N 3.31Å
163N93.3Very high95.6Very high86 Ų8636.7 Ų36.746%0.4621%0.205SC..THydrogen-bonded Turntrans-82.9-8.5175.8-69.7-26000113.3S32 S33 H35 Q161S32-N163 CarbonylContact C-O 3.43Å; S32-N163 WeakPolarHBondContact CA-O 3.35Å; S33-N163 PolarHBondContact N-O 3.02Å; S33-N163 PolarHBondContact OG-O 3.06Å; H35-N163 PolarHBondContact NE2-OD1 2.95Å; Q161-N163 PolarHBondContact O-N 3.05Å
164T95.6Very high95.6Very high44 Ų4435.5 Ų35.527%0.2720%0.195SC..EExtended strand (participates in β ladder)trans-95.8134.5-177.5-54.30000110.1S31 Q161 G162 I166S31-T164 CarbonylContact O-C 3.52Å; S31-T164 VanDerWaalsContact O-CA 3.29Å; S31-T164 WeakPolarHBondContact O-CA 3.18Å; S31-T164 WeakPolarHBondContact O-CG2 3.29Å; Q161-T164 CarbonylContact C-O 3.52Å; Q161-T164 PolarHBondContact N-O 2.78Å; Q161-T164 PolarHBondContact O-N 3.16Å; Q161-T164 VanDerWaalsContact O-N 3.08Å; G162-T164 VanDerWaalsContact C-N 3.31Å; T164-I166 HydrophobicContact CG2-CD1 4.48Å; T164-I166 HydrophobicContact CG2-CG1 3.95Å
165V97.2Very high95.4Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-108.3134.6167.9179.90000109S30 S31 F117 I132 I145 I159 Q160S30-V165 CarbonylContact C-O 3.49Å; S30-V165 VanDerWaalsContact CA-O 3.24Å; S30-V165 WeakPolarHBondContact CA-O 3.09Å; S31-V165 PolarHBondContact N-O 3.37Å; S31-V165 PolarHBondContact O-N 3.35Å; F117-V165 HydrophobicContact CD1-CB 4.39Å; F117-V165 HydrophobicContact CD1-CG1 4.12Å; F117-V165 HydrophobicContact CE1-CB 4.24Å; F117-V165 HydrophobicContact CE1-CG1 3.96Å; I132-V165 HydrophobicContact CB-CB 4.1Å; I132-V165 HydrophobicContact CB-CG2 3.65Å; I132-V165 HydrophobicContact CD1-CB 3.96Å; I132-V165 HydrophobicContact CD1-CG2 4.17Å; I132-V165 HydrophobicContact CG2-CB 3.73Å; I132-V165 HydrophobicContact CG2-CG1 3.9Å; I132-V165 HydrophobicContact CG2-CG2 3.67Å; I145-V165 HydrophobicContact CD1-CG2 4.25Å; I159-V165 CarbonylContact O-C 3.49Å; I159-V165 WeakPolarHBondContact O-CA 3.34Å; Q160-V165 HydrophobicContact CB-CG2 4.25Å; Q160-V165 HydrophobicContact CG-CG2 4.21Å
166I95.5Very high95.2Very high22 Ų2243.6 Ų43.611%0.11326%0.255CS..EExtended strand (participates in β ladder)trans-124.7135.3-173.3-52.9-178.5000109.4L28 K29 I159 Q161 T164 K168L28-I166 HydrophobicContact CD1-CG2 3.37Å; L28-I166 HydrophobicContact CD2-CG2 3.86Å; L28-I166 HydrophobicContact CG-CG2 3.6Å; K29-I166 CarbonylContact O-C 3.51Å; K29-I166 WeakPolarHBondContact O-CA 3.43Å; I159-I166 PolarHBondContact N-O 2.91Å; I159-I166 PolarHBondContact O-N 3.38Å; Q161-I166 HydrophobicContact CG-CD1 4.28Å; T164-I166 HydrophobicContact CG2-CD1 4.48Å; T164-I166 HydrophobicContact CG2-CG1 3.95Å; I166-K168 PolarHBondContact O-N 2.72Å
167Q95.4Very high95.1Very high0 Ų049 Ų490%028%0.281CS..EExtended strand (participates in β ladder)trans-9194.4168.3-60.9-167.3-14.500109.5K29 S116 F117 C135 F149 R151 F156K29-Q167 HydrophobicContact CB-CB 4.4Å; K29-Q167 HydrophobicContact CB-CG 4.48Å; K29-Q167 PolarHBondContact O-N 2.97Å; S116-Q167 VanDerWaalsContact CB-NE2 3.34Å; S116-Q167 PolarHBondContact O-NE2 2.83Å; F117-Q167 HydrophobicContact CE1-CG 3.86Å; F117-Q167 HydrophobicContact CZ-CG 4.07Å; C135-Q167 HydrophobicContact CB-CG 4.17Å; F149-Q167 HydrophobicContact CZ-CB 4.12Å; F149-Q167 HydrophobicContact CZ-CG 3.83Å; R151-Q167 VanDerWaalsContact CZ-OE1 3.28Å; F156-Q167 HydrophobicContact CD1-CB 4.19Å
168K94.4Very high95Very high105 Ų10553 Ų5346%0.45730%0.299SS..EExtended strand (participates in β ladder)trans-89.5121.9-178.8-175.6178.4-179.4179.60109.9F156 I157 I159 I166F156-K168 CarbonylContact C-O 3.53Å; F156-K168 VanDerWaalsContact CA-O 3.27Å; F156-K168 WeakPolarHBondContact CA-O 3.47Å; I157-K168 HydrophobicContact CG2-CB 3.98Å; I157-K168 PolarHBondContact N-O 2.97Å; I157-K168 PolarHBondContact O-N 3.14Å; I159-K168 HydrophobicContact CD1-CB 3.92Å; I159-K168 HydrophobicContact CD1-CD 3.75Å; I159-K168 HydrophobicContact CD1-CG 4.49Å; I166-K168 PolarHBondContact O-N 2.72Å
169A94.9Very high95Very high9 Ų953.3 Ų53.37%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-71.4131.5174.500000110.2V26 F156 I202V26-A169 HydrophobicContact CG1-CB 4.18Å; F156-A169 HydrophobicContact CD1-CB 3.85Å; F156-A169 HydrophobicContact CE1-CB 3.59Å; F156-A169 HydrophobicContact CZ-CB 4.23Å; A169-I202 HydrophobicContact CB-CB 4.39Å; A169-I202 HydrophobicContact CB-CD1 3.47Å; A169-I202 VanDerWaalsContact CB-CD1 3.47Å; A169-I202 HydrophobicContact CB-CG1 3.53Å; A169-I202 HydrophobicContact CB-CG2 4.09Å
170V95.3Very high94.9Very high50 Ų5059.8 Ų59.830%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-126.7-8.9-173.2-69.30000113.8T155 I157 V181T155-V170 HydrophobicContact CG2-CG2 3.94Å; T155-V170 WeakPolarHBondContact O-CG2 3.02Å; T155-V170 PolarHBondContact O-N 3.36Å; I157-V170 HydrophobicContact CB-CG1 4.31Å; I157-V170 HydrophobicContact CG2-CG1 3.5Å; I157-V170 VanDerWaalsContact CG2-CG1 3.5Å; V170-V181 WeakPolarHBondContact O-CG2 3.34Å
171G96.7Very high94.9Very high3 Ų356.8 Ų56.83%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-172.3164.8176.700000112.9F154 T155 V179 I202F154-G171 WeakPolarHBondContact CA-O 3.47Å; T155-G171 PolarHBondContact N-O 2.87Å; T155-G171 PolarHBondContact O-N 3.1Å; G171-V179 CarbonylContact C-O 3.52Å; G171-V179 WeakPolarHBondContact CA-O 3.1Å; G171-I202 VanDerWaalsContact C-CD1 3.44Å; G171-I202 WeakPolarHBondContact O-CD1 3.08Å
172C96.7Very high94.9Very high0 Ų059.9 Ų59.90%032%0.316CS..EExtended strand (participates in β ladder)trans-99.2157.2174.5-55.80000109F154 I174 Q178 V179 C194 A204F154-C172 HydrophobicContact CD1-CB 4.48Å; C172-I174 HydrophobicContact CB-CD1 4.27Å; C172-I174 HydrophobicContact CB-CG1 4.09Å; C172-Q178 CarbonylContact O-C 3.47Å; C172-Q178 WeakPolarHBondContact O-CA 3.48Å; C172-V179 PolarHBondContact N-O 3.12Å; C172-V179 PolarHBondContact O-N 3.47Å; C172-C194 HydrophobicContact CB-CB 3.73Å; C172-C194 WeakPolarHBondContact CB-SG 3.43Å; C172-C194 PolarHBondContact N-SG 2.05Å; C172-C194 VanDerWaalsContact SG-CA 3.53Å; C172-C194 WeakPolarHBondContact SG-CB 3.4Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 3.3Å; C172-A204 HydrophobicContact CB-CB 4.17Å
173I95.3Very high95Very high38 Ų3861.3 Ų61.320%0.19531%0.307CS..EExtended strand (participates in β ladder)trans-113.3110169.4-55.6173000106T150 S153 Q177 Q178T150-I173 HydrophobicContact CG2-CD1 3.59Å; S153-I173 PolarHBondContact O-N 2.83Å; I173-Q177 CarbonylContact C-O 3.47Å; I173-Q177 WeakPolarHBondContact CA-O 3.29Å; I173-Q178 HydrophobicContact CG1-CG 4.4Å
174I93.6Very high95.1Very high14 Ų1459.6 Ų59.67%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-119.3115.1-175.9-56.9178.9000106.7C172 G176 Q177 V179 I185 Y192 A204C172-I174 HydrophobicContact CB-CD1 4.27Å; C172-I174 HydrophobicContact CB-CG1 4.09Å; I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 3.33Å; I174-Q177 PolarHBondContact N-O 3.07Å; I174-Q177 PolarHBondContact O-N 2.86Å; I174-V179 HydrophobicContact CB-CG2 4.32Å; I174-V179 HydrophobicContact CD1-CB 4.5Å; I174-V179 HydrophobicContact CD1-CG2 4.23Å; I174-V179 HydrophobicContact CG1-CG2 4.34Å; I174-I185 HydrophobicContact CB-CG2 4.29Å; I174-I185 HydrophobicContact CD1-CG2 4.03Å; I174-I185 HydrophobicContact CG2-CG2 4.13Å; I174-Y192 HydrophobicContact CD1-CG 4.42Å; I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.06Å; I174-Y192 HydrophobicContact CG2-CG 4.03Å; I174-A204 HydrophobicContact CD1-CB 4.06Å; I174-A204 HydrophobicContact CG1-CB 4.19Å
175N90.8Very high95.2Very high108 Ų10858.5 Ų58.558%0.57829%0.292SS*.THydrogen-bonded Turntrans48.350.1-172.6-166.360.6000113.2Q177 F187N175-Q177 PolarHBondContact O-N 3.12Å; N175-F187 HydrophobicContact CB-CD1 3.95Å; N175-F187 HydrophobicContact CB-CD2 4Å; N175-F187 HydrophobicContact CB-CE1 3.96Å; N175-F187 HydrophobicContact CB-CE2 4.06Å; N175-F187 HydrophobicContact CB-CG 3.96Å; N175-F187 HydrophobicContact CB-CZ 4.03Å; N175-F187 VanDerWaalsContact CG-CE2 3.41Å; N175-F187 WeakPolarHBondContact ND2-CD2 3.18Å; N175-F187 WeakPolarHBondContact ND2-CE2 2.9Å; N175-F187 WeakPolarHBondContact ND2-CZ 3.49Å; N175-F187 WeakPolarHBondContact OD1-CZ 3.22Å
176G92Very high95.1Very high71 Ų7160.6 Ų60.673%0.73231%0.307SS*.THydrogen-bonded Turntrans74.3-12.2-178.900000115.6I174I174-G176 VanDerWaalsContact C-N 3.31Å; I174-G176 PolarHBondContact O-N 3.33Å
177Q94.2Very high95Very high115 Ų11562.4 Ų62.454%0.53731%0.314SS..EExtended strand (participates in β ladder)trans-89.7131.8178.8-174.3169.9-22.400111.8I173 I174 N175 I185I173-Q177 CarbonylContact C-O 3.47Å; I173-Q177 WeakPolarHBondContact CA-O 3.29Å; I174-Q177 PolarHBondContact N-O 3.07Å; I174-Q177 PolarHBondContact O-N 2.86Å; N175-Q177 PolarHBondContact O-N 3.12Å; Q177-I185 HydrophobicContact CB-CD1 4.11Å; Q177-I185 HydrophobicContact CG-CD1 4.01Å
178Q94.9Very high94.9Very high125 Ų12569.3 Ų69.358%0.58435%0.346SS*.EExtended strand (participates in β ladder)trans-75125172-66.6-177.126.500110.8C172 I173C172-Q178 CarbonylContact O-C 3.47Å; C172-Q178 WeakPolarHBondContact O-CA 3.48Å; I173-Q178 HydrophobicContact CG1-CG 4.4Å
179V96Very high94.9Very high5 Ų570.1 Ų70.13%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-121.3121-178.2-177.10000108.5G171 C172 I174 Q183 I185 C194G171-V179 CarbonylContact C-O 3.52Å; G171-V179 WeakPolarHBondContact CA-O 3.1Å; C172-V179 PolarHBondContact N-O 3.12Å; C172-V179 PolarHBondContact O-N 3.47Å; I174-V179 HydrophobicContact CB-CG2 4.32Å; I174-V179 HydrophobicContact CD1-CB 4.5Å; I174-V179 HydrophobicContact CD1-CG2 4.23Å; I174-V179 HydrophobicContact CG1-CG2 4.34Å; V179-Q183 HydrophobicContact CG1-CB 3.68Å; V179-I185 HydrophobicContact CG2-CB 4.2Å; V179-I185 HydrophobicContact CG2-CD1 4.22Å; V179-I185 HydrophobicContact CG2-CG2 3.91Å; V179-C194 HydrophobicContact CB-CB 4.46Å; V179-C194 HydrophobicContact CG1-CB 4Å
180R96.5Very high95Very high180 Ų18071.6 Ų71.668%0.67936%0.355SS*.EExtended strand (participates in β ladder)trans-68.6157.3179.3-57.7178.5177.7171.5-0.5110.7R182 Q183R180-R182 PolarHBondContact O-N 3.48Å; R180-Q183 HydrophobicContact CB-CG 3.96Å; R180-Q183 VanDerWaalsContact CB-OE1 3.3Å; R180-Q183 VanDerWaalsContact O-CB 3.29Å; R180-Q183 WeakPolarHBondContact O-CB 3.04Å; R180-Q183 PolarHBondContact O-N 3.06Å
181V95.5Very high95.1Very high35 Ų3570.2 Ų70.221%0.21234%0.344CS..THydrogen-bonded Turntrans-55.3135.9172.5-168.50000110.3V170 Q183 C194 R196 I202V170-V181 WeakPolarHBondContact O-CG2 3.34Å; V181-Q183 PolarHBondContact O-N 3.33Å; V181-C194 CarbonylContact C-O 3.49Å; V181-R196 HydrophobicContact CG1-CG 3.62Å; V181-I202 HydrophobicContact CG2-CG2 3.83Å
182R95.1Very high95.1Very high188 Ų18871.1 Ų71.171%0.70935%0.347SS*.THydrogen-bonded Turntrans72-5.5-172.9-52.8179.4174.8177.2-4.7115.8R180 C194R180-R182 PolarHBondContact O-N 3.48Å; R182-C194 WeakPolarHBondContact CA-O 3.25Å; R182-C194 PolarHBondContact N-O 2.68Å
183Q96.8Very high95Very high89 Ų8974.6 Ų74.642%0.41636%0.362SS..  trans-76.5153.8172.1-69.1-176.5-30.200111.1V179 R180 V181 C194V179-Q183 HydrophobicContact CG1-CB 3.68Å; R180-Q183 HydrophobicContact CB-CG 3.96Å; R180-Q183 VanDerWaalsContact CB-OE1 3.3Å; R180-Q183 VanDerWaalsContact O-CB 3.29Å; R180-Q183 WeakPolarHBondContact O-CB 3.04Å; R180-Q183 PolarHBondContact O-N 3.06Å; V181-Q183 PolarHBondContact O-N 3.33Å; Q183-C194 PolarHBondContact O-N 2.71Å; Q183-C194 VanDerWaalsContact O-N 3.14Å
184V95.8Very high95.1Very high50 Ų5072.8 Ų72.830%0.30335%0.352SS..EExtended strand (participates in β ladder)trans-121.1136.2179.7176.80000108.4W191 Y192 K193 R216V184-W191 HydrophobicContact CG1-CD2 4.41Å; V184-W191 HydrophobicContact CG1-CE3 3.4Å; V184-W191 HydrophobicContact CG1-CZ3 3.88Å; V184-W191 HydrophobicContact CG2-CZ3 4.32Å; V184-Y192 VanDerWaalsContact CA-O 3.25Å; V184-Y192 WeakPolarHBondContact CA-O 3.49Å; V184-Y192 WeakPolarHBondContact CG1-O 3.49Å; V184-K193 HydrophobicContact CG2-CB 4.17Å; V184-K193 HydrophobicContact CG2-CD 4.45Å; V184-K193 HydrophobicContact CG2-CG 4.05Å; V184-R216 VanDerWaalsContact CG1-CZ 3.47Å
185I96.7Very high95.1Very high21 Ų2172.9 Ų72.911%0.10835%0.354CS..EExtended strand (participates in β ladder)trans-127149.4174.6-170.3169.8000109.5I174 Q177 V179 W191 Y192I174-I185 HydrophobicContact CB-CG2 4.29Å; I174-I185 HydrophobicContact CD1-CG2 4.03Å; I174-I185 HydrophobicContact CG2-CG2 4.13Å; Q177-I185 HydrophobicContact CB-CD1 4.11Å; Q177-I185 HydrophobicContact CG-CD1 4.01Å; V179-I185 HydrophobicContact CG2-CB 4.2Å; V179-I185 HydrophobicContact CG2-CD1 4.22Å; V179-I185 HydrophobicContact CG2-CG2 3.91Å; I185-W191 CarbonylContact O-C 3.52Å; I185-W191 VanDerWaalsContact O-CA 3.29Å; I185-W191 WeakPolarHBondContact O-CA 3.06Å; I185-W191 WeakPolarHBondContact O-CB 3.45Å; I185-Y192 PolarHBondContact N-O 2.87Å; I185-Y192 PolarHBondContact O-N 3.01Å
186S96Very high95.2Very high44 Ų4476 Ų7631%0.30836%0.358SS..EExtended strand (participates in β ladder)trans-107.3130.3169.4-66.90000108.1R216S186-R216 PolarHBondContact OG-NE 2.82Å
187F92.4Very high95.1Very high61 Ų6178.1 Ų78.127%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-137.6126175.1178.9-105.8000108.8N175 K189 F190 Y192N175-F187 HydrophobicContact CB-CD1 3.95Å; N175-F187 HydrophobicContact CB-CD2 4Å; N175-F187 HydrophobicContact CB-CE1 3.96Å; N175-F187 HydrophobicContact CB-CE2 4.06Å; N175-F187 HydrophobicContact CB-CG 3.96Å; N175-F187 HydrophobicContact CB-CZ 4.03Å; N175-F187 VanDerWaalsContact CG-CE2 3.41Å; N175-F187 WeakPolarHBondContact ND2-CD2 3.18Å; N175-F187 WeakPolarHBondContact ND2-CE2 2.9Å; N175-F187 WeakPolarHBondContact ND2-CZ 3.49Å; N175-F187 WeakPolarHBondContact OD1-CZ 3.22Å; F187-K189 PolarHBondContact O-N 2.82Å; F187-F190 CarbonylContact C-O 3.48Å; F187-F190 PolarHBondContact N-O 2.8Å; F187-F190 PolarHBondContact O-N 2.88Å; F187-F190 VanDerWaalsContact O-N 3.11Å; F187-Y192 HydrophobicContact CB-CD2 4.44Å; F187-Y192 HydrophobicContact CB-CE2 4.04Å
188E92.8Very high94.7Very high144 Ų14475.9 Ų75.967%0.67335%0.353SS*.THydrogen-bonded Turntrans50.1-123.5-171.5-62.1178176.600111.8F190E188-F190 VanDerWaalsContact C-N 3.33Å
189K95.9Very high94.2Very high122 Ų12279.7 Ų79.753%0.5337%0.367SS..THydrogen-bonded Turntrans-91.98.3-175.8-56.3-173.6177.5-178.70113.3F187 C209 V210 I241F187-K189 PolarHBondContact O-N 2.82Å; K189-C209 CarbonylContact O-C 3.56Å; K189-C209 VanDerWaalsContact O-CA 3.24Å; K189-C209 WeakPolarHBondContact O-CA 3.28Å; K189-V210 PolarHBondContact O-N 2.84Å; K189-I241 HydrophobicContact CB-CD1 3.55Å; K189-I241 HydrophobicContact CD-CD1 4.01Å; K189-I241 HydrophobicContact CG-CD1 4.36Å
190F97Very high93.4Very high41 Ų4181.3 Ų81.318%0.1839%0.385CS..EExtended strand (participates in β ladder)trans-133.3156.2-174.8-57-69.9000111.8F187 E188 Y192 I206 G208 V210 I239 I241F187-F190 CarbonylContact C-O 3.48Å; F187-F190 PolarHBondContact N-O 2.8Å; F187-F190 PolarHBondContact O-N 2.88Å; F187-F190 VanDerWaalsContact O-N 3.11Å; E188-F190 VanDerWaalsContact C-N 3.33Å; F190-Y192 HydrophobicContact CB-CE2 3.83Å; F190-I206 HydrophobicContact CB-CD1 3.79Å; F190-I206 HydrophobicContact CB-CG1 4.09Å; F190-I206 HydrophobicContact CD1-CD1 3.58Å; F190-I206 HydrophobicContact CD1-CG1 4.38Å; F190-I206 HydrophobicContact CD2-CD1 4.23Å; F190-I206 HydrophobicContact CE1-CD1 4.16Å; F190-I206 HydrophobicContact CG-CD1 3.59Å; F190-I206 HydrophobicContact CG-CG1 4.39Å; F190-G208 VanDerWaalsContact CA-O 3.32Å; F190-G208 WeakPolarHBondContact CA-O 2.94Å; F190-V210 VanDerWaalsContact C-CG2 3.46Å; F190-V210 WeakPolarHBondContact O-CG2 3.23Å; F190-I239 HydrophobicContact CD1-CG2 4.4Å; F190-I239 HydrophobicContact CE1-CG2 4.18Å; F190-I241 HydrophobicContact CE1-CD1 4.23Å; F190-I241 HydrophobicContact CE1-CG1 4.12Å
191W96.8Very high93.1Very high21 Ų2172.9 Ų72.98%0.0835%0.354CS..EExtended strand (participates in β ladder)trans-123.6145.2170.967.1-84.4000110.5V184 I185 M207 G208 V210 R216 V217 D218V184-W191 HydrophobicContact CG1-CD2 4.41Å; V184-W191 HydrophobicContact CG1-CE3 3.4Å; V184-W191 HydrophobicContact CG1-CZ3 3.88Å; V184-W191 HydrophobicContact CG2-CZ3 4.32Å; I185-W191 CarbonylContact O-C 3.52Å; I185-W191 VanDerWaalsContact O-CA 3.29Å; I185-W191 WeakPolarHBondContact O-CA 3.06Å; I185-W191 WeakPolarHBondContact O-CB 3.45Å; W191-M207 HydrophobicContact CD2-CB 3.71Å; W191-M207 HydrophobicContact CE3-CB 3.39Å; W191-M207 HydrophobicContact CE3-CG 3.83Å; W191-M207 HydrophobicContact CH2-CB 3.11Å; W191-M207 HydrophobicContact CH2-CE 4.21Å; W191-M207 HydrophobicContact CH2-CG 3.81Å; W191-M207 HydrophobicContact CZ2-CB 3.34Å; W191-M207 HydrophobicContact CZ2-CG 4.47Å; W191-M207 HydrophobicContact CZ3-CB 3.13Å; W191-M207 HydrophobicContact CZ3-CG 3.43Å; W191-M207 VanDerWaalsContact CZ3-CG 3.43Å; W191-M207 PolarHBondContact O-N 3.43Å; W191-G208 PolarHBondContact N-O 2.9Å; W191-G208 VanDerWaalsContact NE1-C 3.33Å; W191-G208 VanDerWaalsContact NE1-CA 3.26Å; W191-V210 HydrophobicContact CB-CG2 3.81Å; W191-V210 HydrophobicContact CG-CG2 4.36Å; W191-R216 HydrophobicContact CB-CG 4.07Å; W191-R216 HydrophobicContact CD2-CB 4.33Å; W191-R216 HydrophobicContact CD2-CG 4.29Å; W191-R216 HydrophobicContact CG-CB 4.11Å; W191-R216 HydrophobicContact CG-CG 3.83Å; W191-V217 PolarHBondContact NE1-O 2.81Å; W191-D218 WeakPolarHBondContact CZ2-OD1 3.18Å
192Y95.9Very high93Very high22 Ų2271.3 Ų71.39%0.08634%0.344CS..EExtended strand (participates in β ladder)trans-127.7149.6-167.7-55.7-98.7000110.3I174 V184 I185 F187 F190 E205 I206I174-Y192 HydrophobicContact CD1-CG 4.42Å; I174-Y192 HydrophobicContact CG2-CD1 4.43Å; I174-Y192 HydrophobicContact CG2-CD2 4.06Å; I174-Y192 HydrophobicContact CG2-CG 4.03Å; V184-Y192 VanDerWaalsContact CA-O 3.25Å; V184-Y192 WeakPolarHBondContact CA-O 3.49Å; V184-Y192 WeakPolarHBondContact CG1-O 3.49Å; I185-Y192 PolarHBondContact N-O 2.87Å; I185-Y192 PolarHBondContact O-N 3.01Å; F187-Y192 HydrophobicContact CB-CD2 4.44Å; F187-Y192 HydrophobicContact CB-CE2 4.04Å; F190-Y192 HydrophobicContact CB-CE2 3.83Å; Y192-E205 CarbonylContact C-O 3.51Å; Y192-E205 WeakPolarHBondContact CA-O 3.47Å; Y192-I206 HydrophobicContact CD1-CB 4.01Å; Y192-I206 HydrophobicContact CD1-CG1 4.34Å; Y192-I206 HydrophobicContact CE1-CB 3.96Å; Y192-I206 HydrophobicContact CE1-CD1 4.32Å; Y192-I206 HydrophobicContact CE1-CG1 4.07Å
193K95.5Very high92.9Very high73 Ų7365 Ų6532%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-124.9134174.7-175.4177.9-178.8177.80109.9V184 S195 E205 M207V184-K193 HydrophobicContact CG2-CB 4.17Å; V184-K193 HydrophobicContact CG2-CD 4.45Å; V184-K193 HydrophobicContact CG2-CG 4.05Å; K193-S195 PolarHBondContact O-N 3.11Å; K193-E205 PolarHBondContact N-O 3.28Å; K193-E205 PolarHBondContact O-N 3.03Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.8Å; K193-M207 HydrophobicContact CD-CE 4.42Å; K193-M207 HydrophobicContact CD-SD 4.11Å
194C96.4Very high92.8Very high0 Ų062 Ų620%031%0.312CS..EExtended strand (participates in β ladder)trans-86.6103.1168.9-1710000109.1C172 V179 V181 R182 Q183 K203C172-C194 HydrophobicContact CB-CB 3.73Å; C172-C194 WeakPolarHBondContact CB-SG 3.43Å; C172-C194 PolarHBondContact N-SG 2.05Å; C172-C194 VanDerWaalsContact SG-CA 3.53Å; C172-C194 WeakPolarHBondContact SG-CB 3.4Å; C172-C194 CovalentContact SG-SG 2.05Å; C172-C194 PolarHBondContact SG-SG 3.3Å; V179-C194 HydrophobicContact CB-CB 4.46Å; V179-C194 HydrophobicContact CG1-CB 4Å; V181-C194 CarbonylContact C-O 3.49Å; R182-C194 WeakPolarHBondContact CA-O 3.25Å; R182-C194 PolarHBondContact N-O 2.68Å; Q183-C194 PolarHBondContact O-N 2.71Å; Q183-C194 VanDerWaalsContact O-N 3.14Å; C194-K203 CarbonylContact C-O 3.6Å; C194-K203 WeakPolarHBondContact CA-O 3.32Å
195S94.7Very high92.6Very high15 Ų1562.1 Ų62.111%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-104.4158-174.3-66.90000111.9K193 I202 K203 E205K193-S195 PolarHBondContact O-N 3.11Å; S195-I202 CarbonylContact O-C 3.58Å; S195-I202 VanDerWaalsContact O-CA 3.22Å; S195-I202 WeakPolarHBondContact O-CA 2.83Å; S195-I202 WeakPolarHBondContact O-CB 3.36Å; S195-K203 PolarHBondContact N-O 3.12Å; S195-K203 PolarHBondContact O-N 2.55Å; S195-E205 WeakPolarHBondContact CB-OE2 3.48Å; S195-E205 PolarHBondContact OG-OE2 3.26Å
196R93.5Very high92.5Very high174 Ų17463.7 Ų63.766%0.65732%0.318SS*.EExtended strand (participates in β ladder)trans-74.5145.8166.9-69.8-167.9177.9168.51.1109.9V181V181-R196 HydrophobicContact CG1-CG 3.62Å
197Y88.7Confident92.5Very high115 Ų11564.2 Ų64.245%0.45132%0.316SS..EExtended strand (participates in β ladder)trans-136.4122.1175.7179.4-103000110.6K25 G201 K203K25-Y197 HydrophobicContact CB-CD1 4.38Å; K25-Y197 HydrophobicContact CD-CE1 4.33Å; Y197-G201 PolarHBondContact N-O 3.1Å; Y197-G201 CarbonylContact O-C 3.59Å; Y197-G201 VanDerWaalsContact O-C 3.24Å; Y197-G201 WeakPolarHBondContact O-CA 3.12Å; Y197-G201 PolarHBondContact O-N 2.95Å; Y197-G201 VanDerWaalsContact O-N 3.07Å; Y197-K203 HydrophobicContact CD2-CD 3.91Å; Y197-K203 HydrophobicContact CG-CD 4.23Å
198G85.7Confident92.7Very high69 Ų6961.3 Ų61.371%0.71130%0.303SS*.THydrogen-bonded Turntrans55.9-154.3179.900000114G200G198-G200 PolarHBondContact O-N 3.03Å; G198-G200 VanDerWaalsContact O-N 3.1Å
199K83.6Confident92.9Very high205 Ų20554.5 Ų54.589%0.89127%0.271SS*.THydrogen-bonded Turntrans-8190.9-178.7-166.1175.6-1781790110.8G201K199-G201 VanDerWaalsContact C-N 3.33Å; K199-G201 PolarHBondContact O-N 3.17Å
200G80.8Confident93Very high39 Ų3949.3 Ų49.340%0.40225%0.25SS..THydrogen-bonded Turntrans83.53.2173.200000115.5G198G198-G200 PolarHBondContact O-N 3.03Å; G198-G200 VanDerWaalsContact O-N 3.1Å
201G88.8Confident93Very high2 Ų248 Ų482%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-83.9165.4171.900000112.7V26 Y197 K199V26-G201 WeakPolarHBondContact O-CA 3.29Å; Y197-G201 PolarHBondContact N-O 3.1Å; Y197-G201 CarbonylContact O-C 3.59Å; Y197-G201 VanDerWaalsContact O-C 3.24Å; Y197-G201 WeakPolarHBondContact O-CA 3.12Å; Y197-G201 PolarHBondContact O-N 2.95Å; Y197-G201 VanDerWaalsContact O-N 3.07Å; K199-G201 VanDerWaalsContact C-N 3.33Å; K199-G201 PolarHBondContact O-N 3.17Å
202I94.1Very high92.9Very high3 Ų350.6 Ų50.62%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-134.8156.7172.462.6176.7000109.2V26 F154 A169 G171 V181 S195V26-I202 HydrophobicContact CG1-CG1 3.88Å; V26-I202 PolarHBondContact N-O 3.18Å; V26-I202 VanDerWaalsContact N-O 3.12Å; V26-I202 PolarHBondContact O-N 2.89Å; F154-I202 HydrophobicContact CB-CD1 4.37Å; F154-I202 HydrophobicContact CD1-CD1 3.53Å; F154-I202 HydrophobicContact CD1-CG1 3.55Å; F154-I202 HydrophobicContact CE1-CD1 4.27Å; F154-I202 HydrophobicContact CE1-CG1 3.87Å; F154-I202 HydrophobicContact CG-CD1 4.32Å; F154-I202 HydrophobicContact CG-CG1 4.41Å; A169-I202 HydrophobicContact CB-CB 4.39Å; A169-I202 HydrophobicContact CB-CD1 3.47Å; A169-I202 VanDerWaalsContact CB-CD1 3.47Å; A169-I202 HydrophobicContact CB-CG1 3.53Å; A169-I202 HydrophobicContact CB-CG2 4.09Å; G171-I202 VanDerWaalsContact C-CD1 3.44Å; G171-I202 WeakPolarHBondContact O-CD1 3.08Å; V181-I202 HydrophobicContact CG2-CG2 3.83Å; S195-I202 CarbonylContact O-C 3.58Å; S195-I202 VanDerWaalsContact O-CA 3.22Å; S195-I202 WeakPolarHBondContact O-CA 2.83Å; S195-I202 WeakPolarHBondContact O-CB 3.36Å
203K93.9Very high92.9Very high55 Ų5557.5 Ų57.524%0.23930%0.297CS..EExtended strand (participates in β ladder)trans-139.6147174.960176.2167.6165.10112.1S24 K25 C194 S195 Y197 E205S24-K203 CarbonylContact O-C 3.58Å; S24-K203 WeakPolarHBondContact O-CA 3.01Å; S24-K203 WeakPolarHBondContact O-CB 3.08Å; K25-K203 HydrophobicContact CB-CB 4.35Å; C194-K203 CarbonylContact C-O 3.6Å; C194-K203 WeakPolarHBondContact CA-O 3.32Å; S195-K203 PolarHBondContact N-O 3.12Å; S195-K203 PolarHBondContact O-N 2.55Å; Y197-K203 HydrophobicContact CD2-CD 3.91Å; Y197-K203 HydrophobicContact CG-CD 4.23Å; K203-E205 HydrophobicContact CD-CG 3.75Å; K203-E205 WeakPolarHBondContact CD-OE1 3.32Å; K203-E205 WeakPolarHBondContact CE-OE1 3.1Å; K203-E205 HydrophobicContact CG-CG 3.8Å; K203-E205 IonicContact NZ-OE1 3.11Å; K203-E205 PolarHBondContact NZ-OE1 2.89Å
204A93.4Very high92.9Very high26 Ų2656.3 Ų56.322%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-93.7121168.500000108.3S24 C172 I174S24-A204 PolarHBondContact O-N 3.31Å; S24-A204 VanDerWaalsContact O-N 3.12Å; C172-A204 HydrophobicContact CB-CB 4.17Å; I174-A204 HydrophobicContact CD1-CB 4.06Å; I174-A204 HydrophobicContact CG1-CB 4.19Å
205E91.6Very high92.9Very high53 Ų5361.6 Ų61.625%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-118131.1-176.9-61-178.6120.400109.7Y192 K193 S195 K203 M207Y192-E205 CarbonylContact C-O 3.51Å; Y192-E205 WeakPolarHBondContact CA-O 3.47Å; K193-E205 PolarHBondContact N-O 3.28Å; K193-E205 PolarHBondContact O-N 3.03Å; S195-E205 WeakPolarHBondContact CB-OE2 3.48Å; S195-E205 PolarHBondContact OG-OE2 3.26Å; K203-E205 HydrophobicContact CD-CG 3.75Å; K203-E205 WeakPolarHBondContact CD-OE1 3.32Å; K203-E205 WeakPolarHBondContact CE-OE1 3.1Å; K203-E205 HydrophobicContact CG-CG 3.8Å; K203-E205 IonicContact NZ-OE1 3.11Å; K203-E205 PolarHBondContact NZ-OE1 2.89Å; E205-M207 HydrophobicContact CB-SD 3.92Å
206I94.3Very high93.1Very high53 Ų5367 Ų6727%0.27235%0.351SS..EExtended strand (participates in β ladder)trans-72.4126.8162.2-168.6171.1000107.8F190 Y192 I239F190-I206 HydrophobicContact CB-CD1 3.79Å; F190-I206 HydrophobicContact CB-CG1 4.09Å; F190-I206 HydrophobicContact CD1-CD1 3.58Å; F190-I206 HydrophobicContact CD1-CG1 4.38Å; F190-I206 HydrophobicContact CD2-CD1 4.23Å; F190-I206 HydrophobicContact CE1-CD1 4.16Å; F190-I206 HydrophobicContact CG-CD1 3.59Å; F190-I206 HydrophobicContact CG-CG1 4.39Å; Y192-I206 HydrophobicContact CD1-CB 4.01Å; Y192-I206 HydrophobicContact CD1-CG1 4.34Å; Y192-I206 HydrophobicContact CE1-CB 3.96Å; Y192-I206 HydrophobicContact CE1-CD1 4.32Å; Y192-I206 HydrophobicContact CE1-CG1 4.07Å; I206-I239 HydrophobicContact CD1-CB 3.86Å; I206-I239 HydrophobicContact CD1-CG1 4.45Å; I206-I239 HydrophobicContact CG1-CB 4.25Å; I206-I239 HydrophobicContact CG1-CD1 4.08Å; I206-I239 HydrophobicContact CG1-CG1 4.35Å; I206-I239 HydrophobicContact CG2-CB 4.47Å; I206-I239 HydrophobicContact CG2-CD1 4.15Å; I206-I239 HydrophobicContact CG2-CG1 4Å
207M95.7Very high93.3Very high56 Ų5659.5 Ų59.528%0.27633%0.325SS..EExtended strand (participates in β ladder)trans-112.8-17.8-172.9-60.3-67.3-50.300112.8W191 K193 E205 A219W191-M207 HydrophobicContact CD2-CB 3.71Å; W191-M207 HydrophobicContact CE3-CB 3.39Å; W191-M207 HydrophobicContact CE3-CG 3.83Å; W191-M207 HydrophobicContact CH2-CB 3.11Å; W191-M207 HydrophobicContact CH2-CE 4.21Å; W191-M207 HydrophobicContact CH2-CG 3.81Å; W191-M207 HydrophobicContact CZ2-CB 3.34Å; W191-M207 HydrophobicContact CZ2-CG 4.47Å; W191-M207 HydrophobicContact CZ3-CB 3.13Å; W191-M207 HydrophobicContact CZ3-CG 3.43Å; W191-M207 VanDerWaalsContact CZ3-CG 3.43Å; W191-M207 PolarHBondContact O-N 3.43Å; K193-M207 HydrophobicContact CB-CG 3.48Å; K193-M207 VanDerWaalsContact CB-CG 3.48Å; K193-M207 HydrophobicContact CB-SD 3.8Å; K193-M207 HydrophobicContact CD-CE 4.42Å; K193-M207 HydrophobicContact CD-SD 4.11Å; E205-M207 HydrophobicContact CB-SD 3.92Å; M207-A219 WeakPolarHBondContact O-CB 3.34Å; M207-A219 PolarHBondContact O-N 2.94Å; M207-A219 VanDerWaalsContact O-N 3.08Å
208G97.4Very high93.7Very high0 Ų058.7 Ų58.70%033%0.328CS..EExtended strand (participates in β ladder)trans167.6-159.3176.400000112.8F190 W191 V217 C232F190-G208 VanDerWaalsContact CA-O 3.32Å; F190-G208 WeakPolarHBondContact CA-O 2.94Å; W191-G208 PolarHBondContact N-O 2.9Å; W191-G208 VanDerWaalsContact NE1-C 3.33Å; W191-G208 VanDerWaalsContact NE1-CA 3.26Å; G208-V217 CarbonylContact C-O 3.58Å; G208-V217 VanDerWaalsContact CA-O 3.23Å; G208-V217 WeakPolarHBondContact CA-O 3.46Å; G208-C232 VanDerWaalsContact C-SG 3.59Å
209C97.9Very high94.3Very high0 Ų056.5 Ų56.50%030%0.304CS..EExtended strand (participates in β ladder)trans-108.6158.8-169.7-55.40000111.3K189 V217 Y223 C232 I241K189-C209 CarbonylContact O-C 3.56Å; K189-C209 VanDerWaalsContact O-CA 3.24Å; K189-C209 WeakPolarHBondContact O-CA 3.28Å; C209-V217 PolarHBondContact N-O 2.79Å; C209-V217 PolarHBondContact O-N 3.09Å; C209-Y223 HydrophobicContact CB-CE1 4.25Å; C209-C232 HydrophobicContact CB-CB 3.79Å; C209-C232 WeakPolarHBondContact CB-SG 3.43Å; C209-C232 PolarHBondContact N-SG 2.8Å; C209-C232 WeakPolarHBondContact SG-CA 3.41Å; C209-C232 WeakPolarHBondContact SG-CB 3.44Å; C209-C232 CovalentContact SG-SG 2.04Å; C209-C232 PolarHBondContact SG-SG 2.87Å; C209-I241 HydrophobicContact CB-CD1 4.05Å; C209-I241 HydrophobicContact CB-CG1 4.02Å; C209-I241 WeakPolarHBondContact SG-CG1 3.32Å
210V97.5Very high94.9Very high14 Ų1448.7 Ų48.79%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-120.9125.4177.3-179.40000108K189 F190 W191 L215K189-V210 PolarHBondContact O-N 2.84Å; F190-V210 VanDerWaalsContact C-CG2 3.46Å; F190-V210 WeakPolarHBondContact O-CG2 3.23Å; W191-V210 HydrophobicContact CB-CG2 3.81Å; W191-V210 HydrophobicContact CG-CG2 4.36Å; V210-L215 WeakPolarHBondContact CA-O 3.24Å
211T96.7Very high95.7Very high14 Ų1449.9 Ų49.99%0.08628%0.28CS..  trans-71.1165.6177.871.70000111.2K213 G214 L215 V217 Y223 D225T211-K213 PolarHBondContact O-N 2.93Å; T211-K213 PolarHBondContact OG1-N 3.08Å; T211-G214 PolarHBondContact O-N 3.06Å; T211-L215 HydrophobicContact CG2-CB 4.15Å; T211-L215 PolarHBondContact N-O 2.99Å; T211-L215 WeakPolarHBondContact OG1-CB 3.06Å; T211-L215 PolarHBondContact OG1-N 3.41Å; T211-V217 HydrophobicContact CG2-CG2 3.75Å; T211-Y223 HydrophobicContact CG2-CD2 3.64Å; T211-Y223 HydrophobicContact CG2-CE2 3.82Å; T211-D225 WeakPolarHBondContact CA-OD2 3.48Å
212S95.3Very high96.2Very high74 Ų7455.5 Ų55.552%0.51730%0.304SS..THydrogen-bonded Turntrans-52.5-25.8171.364.50000113.7D225S212-D225 VanDerWaalsContact CB-OD1 3.28Å; S212-D225 WeakPolarHBondContact CB-OD1 3.38Å; S212-D225 PolarHBondContact N-OD1 3.03Å; S212-D225 VanDerWaalsContact N-OD1 3.12Å; S212-D225 PolarHBondContact N-OD2 3.1Å; S212-D225 PolarHBondContact OG-OD1 2.81Å
213K95.5Very high96.3Very high167 Ų16756.2 Ų56.273%0.72631%0.307SS*.THydrogen-bonded Turntrans-89.94.8177.8-59.2-178.7-177.2176.30113.9T211 L215T211-K213 PolarHBondContact O-N 2.93Å; T211-K213 PolarHBondContact OG1-N 3.08Å; K213-L215 VanDerWaalsContact C-N 3.33Å; K213-L215 PolarHBondContact O-N 2.57Å
214G95.6Very high96.5Very high48 Ų4858.8 Ų58.850%0.49532%0.315SS..  trans79.29.3-179.900000115.1T211T211-G214 PolarHBondContact O-N 3.06Å
215L97Very high96.5Very high112 Ų11258.7 Ų58.759%0.58631%0.311SS*.  trans-77.8135.9178.3-61.8174.7000110.3V210 T211 K213V210-L215 WeakPolarHBondContact CA-O 3.24Å; T211-L215 HydrophobicContact CG2-CB 4.15Å; T211-L215 PolarHBondContact N-O 2.99Å; T211-L215 WeakPolarHBondContact OG1-CB 3.06Å; T211-L215 PolarHBondContact OG1-N 3.41Å; K213-L215 VanDerWaalsContact C-N 3.33Å; K213-L215 PolarHBondContact O-N 2.57Å
216R97.8Very high96.4Very high128 Ų12863.2 Ų63.248%0.48333%0.332SS..EExtended strand (participates in β ladder)trans-83.6131.2176.5-64.9176.7-176.1154.21109.8V184 S186 W191V184-R216 VanDerWaalsContact CG1-CZ 3.47Å; S186-R216 PolarHBondContact OG-NE 2.82Å; W191-R216 HydrophobicContact CB-CG 4.07Å; W191-R216 HydrophobicContact CD2-CB 4.33Å; W191-R216 HydrophobicContact CD2-CG 4.29Å; W191-R216 HydrophobicContact CG-CB 4.11Å; W191-R216 HydrophobicContact CG-CG 3.83Å
217V98.1Very high96.1Very high16 Ų1667.2 Ų67.210%0.09735%0.354CS..EExtended strand (participates in β ladder)trans-119126.9177.3-178.90000107.5W191 G208 C209 T211 V221 Y223 C232W191-V217 PolarHBondContact NE1-O 2.81Å; G208-V217 CarbonylContact C-O 3.58Å; G208-V217 VanDerWaalsContact CA-O 3.23Å; G208-V217 WeakPolarHBondContact CA-O 3.46Å; C209-V217 PolarHBondContact N-O 2.79Å; C209-V217 PolarHBondContact O-N 3.09Å; T211-V217 HydrophobicContact CG2-CG2 3.75Å; V217-V221 HydrophobicContact CG1-CB 3.72Å; V217-V221 HydrophobicContact CG1-CG1 3.84Å; V217-Y223 HydrophobicContact CB-CD1 4.22Å; V217-Y223 HydrophobicContact CB-CG 4.37Å; V217-Y223 HydrophobicContact CG1-CD1 3.65Å; V217-Y223 HydrophobicContact CG1-CE1 4.31Å; V217-Y223 HydrophobicContact CG1-CG 4Å; V217-Y223 HydrophobicContact CG2-CD1 4.15Å; V217-Y223 HydrophobicContact CG2-CD2 4.05Å; V217-Y223 HydrophobicContact CG2-CG 3.8Å; V217-C232 HydrophobicContact CG1-CB 4.28Å
218D97.9Very high95.9Very high99 Ų9966.6 Ų66.653%0.52935%0.353SS..EExtended strand (participates in β ladder)trans-66.1152.4178.8-67.7-20.8000111.3W191 V221W191-D218 WeakPolarHBondContact CZ2-OD1 3.18Å; D218-V221 HydrophobicContact CB-CG2 4.04Å; D218-V221 WeakPolarHBondContact O-CB 3.48Å; D218-V221 PolarHBondContact O-N 2.93Å
219A96.9Very high95.9Very high23 Ų2366.9 Ų66.919%0.1935%0.354CS..THydrogen-bonded Turntrans-52.5140.3170.100000111.4M207 V221 E234 I239M207-A219 WeakPolarHBondContact O-CB 3.34Å; M207-A219 PolarHBondContact O-N 2.94Å; M207-A219 VanDerWaalsContact O-N 3.08Å; A219-V221 VanDerWaalsContact C-N 3.29Å; A219-V221 PolarHBondContact O-N 3.23Å; A219-E234 HydrophobicContact CB-CG 3.71Å; A219-E234 WeakPolarHBondContact CB-OE1 3.37Å; A219-I239 HydrophobicContact CB-CD1 3.5Å; A219-I239 VanDerWaalsContact CB-CD1 3.5Å; A219-I239 HydrophobicContact CB-CG1 4.34Å
220G97.1Very high95.9Very high40 Ų4067.7 Ų67.741%0.41236%0.359SS..THydrogen-bonded Turntrans83.8-10-177.500000115.1H231 C232G220-H231 VanDerWaalsContact C-NE2 3.33Å; G220-H231 PolarHBondContact O-CD2 3.36Å; G220-H231 PolarHBondContact O-NE2 3.34Å; G220-C232 WeakPolarHBondContact CA-O 3.13Å; G220-C232 PolarHBondContact N-O 2.67Å
221V98Very high95.9Very high65 Ų6569.1 Ų69.139%0.39436%0.364SS..  trans-90135.3-174.6179.30000112.2V217 D218 A219 H231 C232V217-V221 HydrophobicContact CG1-CB 3.72Å; V217-V221 HydrophobicContact CG1-CG1 3.84Å; D218-V221 HydrophobicContact CB-CG2 4.04Å; D218-V221 WeakPolarHBondContact O-CB 3.48Å; D218-V221 PolarHBondContact O-N 2.93Å; A219-V221 VanDerWaalsContact C-N 3.29Å; A219-V221 PolarHBondContact O-N 3.23Å; V221-H231 PolarHBondContact O-CD2 3.13Å; V221-C232 PolarHBondContact O-N 3.22Å
222K97.7Very high96Very high119 Ų11968.4 Ų68.452%0.51736%0.36SS..EExtended strand (participates in β ladder)trans-82.1139.2166.7-64.9-176.6-176.9-178.90109.9L230 H231 A244K222-L230 CarbonylContact C-O 3.58Å; K222-L230 VanDerWaalsContact CA-O 3.24Å; K222-L230 WeakPolarHBondContact CA-O 3.12Å; K222-H231 HydrophobicContact CG-CB 4.13Å; K222-A244 HydrophobicContact CD-CB 4.17Å; K222-A244 HydrophobicContact CG-CB 4.31Å
223Y97.7Very high96.1Very high18 Ų1867.7 Ų67.77%0.07135%0.348CS..EExtended strand (participates in β ladder)trans-146.3154.5-176.265.2-80.5000111.3C209 T211 V217 D225 L230 C232 I241C209-Y223 HydrophobicContact CB-CE1 4.25Å; T211-Y223 HydrophobicContact CG2-CD2 3.64Å; T211-Y223 HydrophobicContact CG2-CE2 3.82Å; V217-Y223 HydrophobicContact CB-CD1 4.22Å; V217-Y223 HydrophobicContact CB-CG 4.37Å; V217-Y223 HydrophobicContact CG1-CD1 3.65Å; V217-Y223 HydrophobicContact CG1-CE1 4.31Å; V217-Y223 HydrophobicContact CG1-CG 4Å; V217-Y223 HydrophobicContact CG2-CD1 4.15Å; V217-Y223 HydrophobicContact CG2-CD2 4.05Å; V217-Y223 HydrophobicContact CG2-CG 3.8Å; Y223-D225 HydrophobicContact CD2-CB 4.2Å; Y223-D225 HydrophobicContact CE2-CB 3.92Å; Y223-L230 HydrophobicContact CD1-CB 4.24Å; Y223-L230 HydrophobicContact CD2-CB 4.41Å; Y223-L230 HydrophobicContact CE1-CB 3.79Å; Y223-L230 HydrophobicContact CE2-CB 3.99Å; Y223-L230 HydrophobicContact CE2-CD1 3.86Å; Y223-L230 HydrophobicContact CE2-CG 4.49Å; Y223-L230 PolarHBondContact N-O 3.22Å; Y223-L230 PolarHBondContact O-N 2.92Å; Y223-C232 HydrophobicContact CD1-CB 4.43Å; Y223-C232 HydrophobicContact CE1-CB 4Å; Y223-I241 WeakPolarHBondContact OH-CG2 3.41Å
224R96.5Very high96Very high110 Ų11065.9 Ų65.942%0.41534%0.342SS..EExtended strand (participates in β ladder)trans-86.9130.1170.6-62.5-179.3-178.7169.2-4.5108.9L229 V247 V254 D256R224-L229 HydrophobicContact CG-CD1 4.34Å; R224-V247 HydrophobicContact CG-CG2 3.94Å; R224-V254 PolarHBondContact NH2-O 2.61Å; R224-D256 IonicContact CZ-OD1 2.81Å; R224-D256 IonicContact NE-OD1 3.14Å; R224-D256 PolarHBondContact NE-OD1 3.29Å; R224-D256 IonicContact NE-OD2 2.72Å; R224-D256 IonicContact NH2-OD1 3.72Å; R224-D256 PolarHBondContact NH2-OD1 3.2Å; R224-D256 IonicContact NH2-OD2 3.82Å
225D94.5Very high95.9Very high24 Ų2466.6 Ų66.613%0.12834%0.337CS..EExtended strand (participates in β ladder)trans-128.5115.7165-154.13.3000107.2T211 S212 Y223 D227 V228 L230T211-D225 WeakPolarHBondContact CA-OD2 3.48Å; S212-D225 VanDerWaalsContact CB-OD1 3.28Å; S212-D225 WeakPolarHBondContact CB-OD1 3.38Å; S212-D225 PolarHBondContact N-OD1 3.03Å; S212-D225 VanDerWaalsContact N-OD1 3.12Å; S212-D225 PolarHBondContact N-OD2 3.1Å; S212-D225 PolarHBondContact OG-OD1 2.81Å; Y223-D225 HydrophobicContact CD2-CB 4.2Å; Y223-D225 HydrophobicContact CE2-CB 3.92Å; D225-D227 PolarHBondContact O-N 2.04Å; D225-V228 PolarHBondContact N-O 3.18Å; D225-V228 VanDerWaalsContact N-O 3.08Å; D225-V228 WeakPolarHBondContact O-CG2 3.4Å; D225-V228 PolarHBondContact O-N 3.08Å; D225-L230 HydrophobicContact CB-CD1 3.71Å
226E89.2Confident95.4Very high147 Ų14767 Ų6769%0.68736%0.356SS*.THydrogen-bonded Turntrans53.6-123.8-167.9-53.4-178.4159.800111.9
227D87.7Confident94.7Very high137 Ų13764 Ų6473%0.73337%0.365SS*.THydrogen-bonded Turntrans-9913.8-177.5-66.6-38.5000113.3D225D225-D227 PolarHBondContact O-N 2.04Å
228V92.2Very high94.2Very high43 Ų4364.5 Ų64.526%0.26137%0.374SS..EExtended strand (participates in β ladder)trans-119.9146.3-179.8-640000112.2D225 L230 F243 V284D225-V228 PolarHBondContact N-O 3.18Å; D225-V228 VanDerWaalsContact N-O 3.08Å; D225-V228 WeakPolarHBondContact O-CG2 3.4Å; D225-V228 PolarHBondContact O-N 3.08Å; V228-L230 HydrophobicContact CG2-CD1 4.33Å; V228-L230 HydrophobicContact CG2-CD2 4.05Å; V228-L230 HydrophobicContact CG2-CG 4.01Å; V228-F243 HydrophobicContact CB-CD1 4.35Å; V228-F243 HydrophobicContact CB-CE1 4.13Å; V228-F243 HydrophobicContact CG1-CE1 4.08Å; V228-F243 HydrophobicContact CG2-CE1 4.23Å; V228-V284 HydrophobicContact CG1-CG1 4.11Å
229L97.6Very high94Very high6 Ų661 Ų613%0.03135%0.354CS..EExtended strand (participates in β ladder)trans-94.8116.5172-173.969.8000108.3R224 A244 G245 V247 D256R224-L229 HydrophobicContact CG-CD1 4.34Å; L229-A244 HydrophobicContact CD2-CB 4.29Å; L229-A244 HydrophobicContact CG-CB 4.12Å; L229-A244 PolarHBondContact O-N 2.99Å; L229-G245 PolarHBondContact N-O 2.73Å; L229-G245 PolarHBondContact O-N 3.12Å; L229-V247 HydrophobicContact CB-CG2 4Å; L229-D256 HydrophobicContact CD1-CB 4.24Å; L229-D256 HydrophobicContact CD2-CB 3.92Å
230L97.8Very high93.9Very high18 Ų1861.4 Ų61.49%0.09436%0.356CS..EExtended strand (participates in β ladder)trans-108.8161.2179.7-60.8177.4000110.6K222 Y223 D225 V228 I241 V242 F243K222-L230 CarbonylContact C-O 3.58Å; K222-L230 VanDerWaalsContact CA-O 3.24Å; K222-L230 WeakPolarHBondContact CA-O 3.12Å; Y223-L230 HydrophobicContact CD1-CB 4.24Å; Y223-L230 HydrophobicContact CD2-CB 4.41Å; Y223-L230 HydrophobicContact CE1-CB 3.79Å; Y223-L230 HydrophobicContact CE2-CB 3.99Å; Y223-L230 HydrophobicContact CE2-CD1 3.86Å; Y223-L230 HydrophobicContact CE2-CG 4.49Å; Y223-L230 PolarHBondContact N-O 3.22Å; Y223-L230 PolarHBondContact O-N 2.92Å; D225-L230 HydrophobicContact CB-CD1 3.71Å; V228-L230 HydrophobicContact CG2-CD1 4.33Å; V228-L230 HydrophobicContact CG2-CD2 4.05Å; V228-L230 HydrophobicContact CG2-CG 4.01Å; L230-I241 HydrophobicContact CB-CG2 4.28Å; L230-I241 HydrophobicContact CD1-CG2 3.91Å; L230-I241 HydrophobicContact CD2-CG2 4.29Å; L230-I241 HydrophobicContact CG-CG2 4.39Å; L230-V242 CarbonylContact C-O 3.6Å; L230-V242 WeakPolarHBondContact CA-O 3Å; L230-F243 HydrophobicContact CD2-CD1 3.63Å; L230-F243 HydrophobicContact CD2-CE1 3.9Å; L230-F243 HydrophobicContact CD2-CG 4.29Å
231H97.9Very high93.9Very high43 Ų4361.5 Ų61.520%0.19935%0.347CS..EExtended strand (participates in β ladder)trans-125.8125.4171.1-175.8-170.9000109G220 V221 K222 K233 V242 A244G220-H231 VanDerWaalsContact C-NE2 3.33Å; G220-H231 PolarHBondContact O-CD2 3.36Å; G220-H231 PolarHBondContact O-NE2 3.34Å; V221-H231 PolarHBondContact O-CD2 3.13Å; K222-H231 HydrophobicContact CG-CB 4.13Å; H231-K233 PolarHBondContact O-N 3.41Å; H231-V242 HydrophobicContact CB-CG2 3.91Å; H231-V242 PolarHBondContact N-O 2.89Å; H231-V242 PolarHBondContact O-N 2.75Å; H231-V242 VanDerWaalsContact O-N 3.12Å; H231-A244 HydrophobicContact CB-CB 3.81Å
232C98Very high93.9Very high0 Ų059.2 Ų59.20%033%0.333CS..EExtended strand (participates in β ladder)trans-77.379168.6-165.30000108.8G208 C209 V217 G220 V221 Y223 I239 S240G208-C232 VanDerWaalsContact C-SG 3.59Å; C209-C232 HydrophobicContact CB-CB 3.79Å; C209-C232 WeakPolarHBondContact CB-SG 3.43Å; C209-C232 PolarHBondContact N-SG 2.8Å; C209-C232 WeakPolarHBondContact SG-CA 3.41Å; C209-C232 WeakPolarHBondContact SG-CB 3.44Å; C209-C232 CovalentContact SG-SG 2.04Å; C209-C232 PolarHBondContact SG-SG 2.87Å; V217-C232 HydrophobicContact CG1-CB 4.28Å; G220-C232 WeakPolarHBondContact CA-O 3.13Å; G220-C232 PolarHBondContact N-O 2.67Å; V221-C232 PolarHBondContact O-N 3.22Å; Y223-C232 HydrophobicContact CD1-CB 4.43Å; Y223-C232 HydrophobicContact CE1-CB 4Å; C232-I239 WeakPolarHBondContact SG-CG2 3.47Å; C232-S240 CarbonylContact C-O 3.54Å
233K97.2Very high93.9Very high59 Ų5956 Ų5626%0.25732%0.319SS..EExtended strand (participates in β ladder)trans-83.2128.6-165.7-176.9174175-177.30111.2H231 T235 I239 S240 V242 E281H231-K233 PolarHBondContact O-N 3.41Å; K233-T235 HydrophobicContact CG-CG2 4.42Å; K233-I239 WeakPolarHBondContact O-CA 3.24Å; K233-S240 PolarHBondContact N-O 2.84Å; K233-S240 PolarHBondContact O-N 3.45Å; K233-V242 HydrophobicContact CB-CG2 3.92Å; K233-V242 HydrophobicContact CD-CG2 3.95Å; K233-E281 IonicContact NZ-OE1 3.07Å; K233-E281 PolarHBondContact NZ-OE1 3.3Å; K233-E281 IonicContact NZ-OE2 2.73Å; K233-E281 PolarHBondContact NZ-OE2 2.96Å
234E94.6Very high93.9Very high129 Ų12955.6 Ų55.660%0.60332%0.319SS*.EExtended strand (participates in β ladder)trans-74.9135.6168.5-67.2-177.2171.600110.3A219A219-E234 HydrophobicContact CB-CG 3.71Å; A219-E234 WeakPolarHBondContact CB-OE1 3.37Å
235T92.2Very high93.9Very high63 Ų6350.3 Ų50.339%0.38730%0.3SS..EExtended strand (participates in β ladder)trans-135.6166-179.468.50000109.5K233 G237 G238K233-T235 HydrophobicContact CG-CG2 4.42Å; T235-G237 PolarHBondContact O-N 3.34Å; T235-G237 VanDerWaalsContact O-N 3.13Å; T235-G237 PolarHBondContact OG1-N 2.83Å; T235-G238 WeakPolarHBondContact CA-O 3.41Å; T235-G238 PolarHBondContact N-O 2.86Å; T235-G238 PolarHBondContact O-N 3.46Å; T235-G238 VanDerWaalsContact O-O 3.06Å; T235-G238 PolarHBondContact OG1-N 2.83Å; T235-G238 PolarHBondContact OG1-O 3.46Å
236A87.7Confident94Very high120 Ų12049.4 Ų49.499%0.99230%0.295SS*.THydrogen-bonded Turntrans-58-26.4173.600000113.1
237G81.4Confident94.3Very high65 Ų6543.8 Ų43.867%0.6727%0.27SS*.THydrogen-bonded Turntrans-90.75.1178.200000115.1T235T235-G237 PolarHBondContact O-N 3.34Å; T235-G237 VanDerWaalsContact O-N 3.13Å; T235-G237 PolarHBondContact OG1-N 2.83Å
238G88.1Confident94.7Very high27 Ų2737.9 Ų37.928%0.27824%0.241SC..EExtended strand (participates in β ladder)trans115.1-134.7-174.200000111.5T235T235-G238 WeakPolarHBondContact CA-O 3.41Å; T235-G238 PolarHBondContact N-O 2.86Å; T235-G238 PolarHBondContact O-N 3.46Å; T235-G238 VanDerWaalsContact O-O 3.06Å; T235-G238 PolarHBondContact OG1-N 2.83Å; T235-G238 PolarHBondContact OG1-O 3.46Å
239I94.2Very high94.8Very high24 Ų2442.5 Ų42.512%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-114.2139.1-174.2-58.2-176.3000110.3F190 I206 A219 C232 K233F190-I239 HydrophobicContact CD1-CG2 4.4Å; F190-I239 HydrophobicContact CE1-CG2 4.18Å; I206-I239 HydrophobicContact CD1-CB 3.86Å; I206-I239 HydrophobicContact CD1-CG1 4.45Å; I206-I239 HydrophobicContact CG1-CB 4.25Å; I206-I239 HydrophobicContact CG1-CD1 4.08Å; I206-I239 HydrophobicContact CG1-CG1 4.35Å; I206-I239 HydrophobicContact CG2-CB 4.47Å; I206-I239 HydrophobicContact CG2-CD1 4.15Å; I206-I239 HydrophobicContact CG2-CG1 4Å; A219-I239 HydrophobicContact CB-CD1 3.5Å; A219-I239 VanDerWaalsContact CB-CD1 3.5Å; A219-I239 HydrophobicContact CB-CG1 4.34Å; C232-I239 WeakPolarHBondContact SG-CG2 3.47Å; K233-I239 WeakPolarHBondContact O-CA 3.24Å
240S95.1Very high94.6Very high32 Ų3243.4 Ų43.422%0.22426%0.261CS..EExtended strand (participates in β ladder)trans-130.2160.1173.468.60000111.6C232 K233C232-S240 CarbonylContact C-O 3.54Å; K233-S240 PolarHBondContact N-O 2.84Å; K233-S240 PolarHBondContact O-N 3.45Å
241I96.8Very high94.1Very high42 Ų4248.5 Ų48.522%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-106122173.3-63.5168000107.5K189 F190 C209 Y223 L230K189-I241 HydrophobicContact CB-CD1 3.55Å; K189-I241 HydrophobicContact CD-CD1 4.01Å; K189-I241 HydrophobicContact CG-CD1 4.36Å; F190-I241 HydrophobicContact CE1-CD1 4.23Å; F190-I241 HydrophobicContact CE1-CG1 4.12Å; C209-I241 HydrophobicContact CB-CD1 4.05Å; C209-I241 HydrophobicContact CB-CG1 4.02Å; C209-I241 WeakPolarHBondContact SG-CG1 3.32Å; Y223-I241 WeakPolarHBondContact OH-CG2 3.41Å; L230-I241 HydrophobicContact CB-CG2 4.28Å; L230-I241 HydrophobicContact CD1-CG2 3.91Å; L230-I241 HydrophobicContact CD2-CG2 4.29Å; L230-I241 HydrophobicContact CG-CG2 4.39Å
242V97Very high93.6Very high17 Ų1748.4 Ų48.410%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-128.7155.6178.9-61.10000111L230 H231 K233 E281L230-V242 CarbonylContact C-O 3.6Å; L230-V242 WeakPolarHBondContact CA-O 3Å; H231-V242 HydrophobicContact CB-CG2 3.91Å; H231-V242 PolarHBondContact N-O 2.89Å; H231-V242 PolarHBondContact O-N 2.75Å; H231-V242 VanDerWaalsContact O-N 3.12Å; K233-V242 HydrophobicContact CB-CG2 3.92Å; K233-V242 HydrophobicContact CD-CG2 3.95Å; V242-E281 HydrophobicContact CB-CB 3.8Å; V242-E281 HydrophobicContact CB-CG 4.05Å; V242-E281 HydrophobicContact CG1-CB 4.03Å; V242-E281 HydrophobicContact CG1-CG 4.44Å; V242-E281 HydrophobicContact CG2-CB 4.42Å; V242-E281 HydrophobicContact CG2-CG 4.1Å
243F97.8Very high93.4Very high51 Ų5152.9 Ų52.922%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-68.4137.4169.6-67.8-74.7000110.6V228 L230 F259 E281 R282 V284V228-F243 HydrophobicContact CB-CD1 4.35Å; V228-F243 HydrophobicContact CB-CE1 4.13Å; V228-F243 HydrophobicContact CG1-CE1 4.08Å; V228-F243 HydrophobicContact CG2-CE1 4.23Å; L230-F243 HydrophobicContact CD2-CD1 3.63Å; L230-F243 HydrophobicContact CD2-CE1 3.9Å; L230-F243 HydrophobicContact CD2-CG 4.29Å; F243-F259 HydrophobicContact CB-CZ 3.89Å; F243-F259 WeakPolarHBondContact O-CE2 3.33Å; F243-E281 PolarHBondContact N-O 3.18Å; F243-R282 VanDerWaalsContact CD2-C 3.45Å; F243-R282 WeakPolarHBondContact CE2-O 3.34Å; F243-V284 HydrophobicContact CB-CB 4.39Å; F243-V284 HydrophobicContact CD1-CB 4.1Å; F243-V284 HydrophobicContact CD1-CG1 3.44Å; F243-V284 VanDerWaalsContact CD1-CG1 3.44Å; F243-V284 HydrophobicContact CE1-CG1 3.62Å; F243-V284 HydrophobicContact CG-CB 4.25Å; F243-V284 HydrophobicContact CG-CG1 4.03Å; F243-V284 HydrophobicContact CZ-CG1 4.32Å
244A97.7Very high93.3Very high10 Ų1053 Ų538%0.08333%0.327CS..EExtended strand (participates in β ladder)trans-118.7-14.7-178.200000113.3K222 L229 H231K222-A244 HydrophobicContact CD-CB 4.17Å; K222-A244 HydrophobicContact CG-CB 4.31Å; L229-A244 HydrophobicContact CD2-CB 4.29Å; L229-A244 HydrophobicContact CG-CB 4.12Å; L229-A244 PolarHBondContact O-N 2.99Å; H231-A244 HydrophobicContact CB-CB 3.81Å
245G96.7Very high93.3Very high0 Ų053 Ų530%032%0.321CS..EExtended strand (participates in β ladder)trans161.8-162.4-179.600000113.2L229 F257 V284L229-G245 PolarHBondContact N-O 2.73Å; L229-G245 PolarHBondContact O-N 3.12Å; G245-F257 CarbonylContact C-O 3.54Å; G245-F257 WeakPolarHBondContact CA-O 3.02Å; G245-V284 WeakPolarHBondContact O-CG2 3.04Å
246C96.1Very high93.6Very high5 Ų553.4 Ų53.43%0.03432%0.321CS..EExtended strand (participates in β ladder)trans-109.4147.5-178.2-57.40000110.1F257 W263 C277 V284 T286C246-F257 HydrophobicContact CB-CB 4.47Å; C246-F257 PolarHBondContact N-O 2.73Å; C246-F257 PolarHBondContact O-N 2.87Å; C246-W263 HydrophobicContact CB-CH2 4.01Å; C246-W263 HydrophobicContact CB-CZ3 4.33Å; C246-C277 HydrophobicContact CB-CB 3.79Å; C246-C277 WeakPolarHBondContact CB-SG 3.41Å; C246-C277 PolarHBondContact N-SG 3.27Å; C246-C277 WeakPolarHBondContact SG-CA 3.12Å; C246-C277 WeakPolarHBondContact SG-CB 3.43Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.08Å; C246-V284 HydrophobicContact CB-CG2 4.5Å; C246-V284 WeakPolarHBondContact SG-CG2 3.4Å; C246-T286 HydrophobicContact CB-CG2 4.29Å
247V96.7Very high94Very high28 Ų2848.3 Ų48.317%0.1728%0.276CS..EExtended strand (participates in β ladder)trans-106.4124.3167.3-178.10000107.3R224 L229 V254R224-V247 HydrophobicContact CG-CG2 3.94Å; L229-V247 HydrophobicContact CB-CG2 4Å; V247-V254 HydrophobicContact CG1-CG1 3.49Å; V247-V254 VanDerWaalsContact CG1-CG1 3.49Å
248A95.2Very high94.7Very high14 Ų1446.7 Ų46.712%0.11626%0.257CS..EExtended strand (participates in β ladder)trans-148159.7-178.300000112.7V254 R255 F257 W263A248-V254 WeakPolarHBondContact O-CA 3.15Å; A248-R255 PolarHBondContact N-O 2.84Å; A248-R255 PolarHBondContact O-N 3.41Å; A248-F257 HydrophobicContact CB-CD2 4.01Å; A248-F257 HydrophobicContact CB-CE2 3.92Å; A248-W263 HydrophobicContact CB-CD2 4.04Å; A248-W263 HydrophobicContact CB-CH2 4.14Å; A248-W263 HydrophobicContact CB-CZ2 3.37Å
249K94.2Very high95.1Very high139 Ų13948.6 Ų48.660%0.60426%0.258SS*.EExtended strand (participates in β ladder)trans-88.4116.6172.9-70.8-178.2-177.4-179.20110.1V253 V254K249-V253 CarbonylContact C-O 3.56Å; K249-V253 WeakPolarHBondContact CA-O 3.47Å; K249-V254 HydrophobicContact CD-CG2 4.43Å; K249-V254 HydrophobicContact CG-CG2 3.76Å
250E93.6Very high95.2Very high25 Ų2549.5 Ų49.512%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-108.9118.9169.7179174.6-124.500108.2G252 V253 R255 F257 W263E250-G252 PolarHBondContact O-N 3.26Å; E250-G252 VanDerWaalsContact O-N 3.12Å; E250-V253 PolarHBondContact N-O 2.87Å; E250-V253 PolarHBondContact O-N 2.97Å; E250-R255 WeakPolarHBondContact OE2-CD 3.47Å; E250-R255 IonicContact OE2-CZ 3.95Å; E250-R255 IonicContact OE2-NH1 3.23Å; E250-R255 PolarHBondContact OE2-NH1 3.38Å; E250-F257 HydrophobicContact CB-CZ 3.94Å; E250-W263 HydrophobicContact CB-CB 4.17Å; E250-W263 HydrophobicContact CG-CB 4.21Å; E250-W263 WeakPolarHBondContact OE1-CB 3.02Å
251F88.6Confident95.4Very high125 Ų12552.7 Ų52.755%0.54828%0.284SS..THydrogen-bonded Turntrans49.936.8-174.9-52.3-65.3000114V253 Y264F251-V253 VanDerWaalsContact C-N 3.3Å; F251-V253 PolarHBondContact O-N 2.88Å; F251-Y264 HydrophobicContact CZ-CD2 4.39Å; F251-Y264 HydrophobicContact CZ-CG 4.48Å
252G87.6Confident95.4Very high42 Ų4252.3 Ų52.343%0.43329%0.285SS..THydrogen-bonded Turntrans86.1-11.6179.900000115.1E250E250-G252 PolarHBondContact O-N 3.26Å; E250-G252 VanDerWaalsContact O-N 3.12Å
253V93.2Very high95.4Very high94 Ų9452 Ų5257%0.5728%0.282SS*.EExtended strand (participates in β ladder)trans-95.6130.2178.8-176.40000110K249 E250 F251 R255K249-V253 CarbonylContact C-O 3.56Å; K249-V253 WeakPolarHBondContact CA-O 3.47Å; E250-V253 PolarHBondContact N-O 2.87Å; E250-V253 PolarHBondContact O-N 2.97Å; F251-V253 VanDerWaalsContact C-N 3.3Å; F251-V253 PolarHBondContact O-N 2.88Å; V253-R255 HydrophobicContact CG1-CG 4.21Å; V253-R255 PolarHBondContact O-N 3.04Å
254V94.5Very high95.3Very high61 Ų6151.9 Ų51.937%0.3728%0.281SS..EExtended strand (participates in β ladder)trans-76.2117.1177.2-176.40000109.9R224 V247 A248 K249R224-V254 PolarHBondContact NH2-O 2.61Å; V247-V254 HydrophobicContact CG1-CG1 3.49Å; V247-V254 VanDerWaalsContact CG1-CG1 3.49Å; A248-V254 WeakPolarHBondContact O-CA 3.15Å; K249-V254 HydrophobicContact CD-CG2 4.43Å; K249-V254 HydrophobicContact CG-CG2 3.76Å
255R95.9Very high95.1Very high130 Ų13052.9 Ų52.949%0.49129%0.286SS..EExtended strand (participates in β ladder)trans-125.8160.7-179.3-56.1-174.586.7-171.45.7111.1A248 E250 V253 F257A248-R255 PolarHBondContact N-O 2.84Å; A248-R255 PolarHBondContact O-N 3.41Å; E250-R255 WeakPolarHBondContact OE2-CD 3.47Å; E250-R255 IonicContact OE2-CZ 3.95Å; E250-R255 IonicContact OE2-NH1 3.23Å; E250-R255 PolarHBondContact OE2-NH1 3.38Å; V253-R255 HydrophobicContact CG1-CG 4.21Å; V253-R255 PolarHBondContact O-N 3.04Å; R255-F257 HydrophobicContact CB-CE2 3.77Å; R255-F257 HydrophobicContact CB-CZ 3.75Å
256D96.9Very high94.9Very high71 Ų7157.4 Ų57.438%0.3831%0.31SS..EExtended strand (participates in β ladder)trans-98.7134.5176.8-65.7-11.1000108.9R224 L229R224-D256 IonicContact CZ-OD1 2.81Å; R224-D256 IonicContact NE-OD1 3.14Å; R224-D256 PolarHBondContact NE-OD1 3.29Å; R224-D256 IonicContact NE-OD2 2.72Å; R224-D256 IonicContact NH2-OD1 3.72Å; R224-D256 PolarHBondContact NH2-OD1 3.2Å; R224-D256 IonicContact NH2-OD2 3.82Å; L229-D256 HydrophobicContact CD1-CB 4.24Å; L229-D256 HydrophobicContact CD2-CB 3.92Å
257F96.6Very high94.7Very high12 Ų1260.5 Ų60.55%0.05333%0.33CS..EExtended strand (participates in β ladder)trans-125119.2-179.2-63.7-78.9000110G245 C246 A248 E250 R255 E261 W263 C277G245-F257 CarbonylContact C-O 3.54Å; G245-F257 WeakPolarHBondContact CA-O 3.02Å; C246-F257 HydrophobicContact CB-CB 4.47Å; C246-F257 PolarHBondContact N-O 2.73Å; C246-F257 PolarHBondContact O-N 2.87Å; A248-F257 HydrophobicContact CB-CD2 4.01Å; A248-F257 HydrophobicContact CB-CE2 3.92Å; E250-F257 HydrophobicContact CB-CZ 3.94Å; R255-F257 HydrophobicContact CB-CE2 3.77Å; R255-F257 HydrophobicContact CB-CZ 3.75Å; F257-E261 WeakPolarHBondContact CA-OE2 3.14Å; F257-E261 HydrophobicContact CB-CB 4.28Å; F257-E261 HydrophobicContact CD1-CB 4.31Å; F257-W263 HydrophobicContact CB-CE3 4Å; F257-W263 HydrophobicContact CB-CZ3 3.95Å; F257-W263 HydrophobicContact CD1-CB 4.21Å; F257-W263 HydrophobicContact CD1-CD2 4.46Å; F257-W263 AromaticContact CD1-CE3 3.83Å; F257-W263 HydrophobicContact CD1-CE3 3.83Å; F257-W263 AromaticContact CD2-CD2 3.93Å; F257-W263 HydrophobicContact CD2-CD2 3.93Å; F257-W263 AromaticContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CG 4.38Å; F257-W263 HydrophobicContact CD2-CZ3 4.07Å; F257-W263 HydrophobicContact CE1-CB 3.5Å; F257-W263 HydrophobicContact CE1-CD2 4.46Å; F257-W263 HydrophobicContact CE1-CE3 4.25Å; F257-W263 HydrophobicContact CE1-CG 4.21Å; F257-W263 HydrophobicContact CE2-CB 3.99Å; F257-W263 AromaticContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CE3 4.06Å; F257-W263 AromaticContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CG-CD2 4.21Å; F257-W263 AromaticContact CG-CE3 3.5Å; F257-W263 HydrophobicContact CG-CE3 3.5Å; F257-W263 AromaticContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CZ-CB 3.37Å; F257-W263 HydrophobicContact CZ-CD2 4.19Å; F257-W263 HydrophobicContact CZ-CE3 4.35Å; F257-W263 AromaticContact CZ-CG 3.8Å; F257-W263 HydrophobicContact CZ-CG 3.8Å; F257-C277 HydrophobicContact CB-CB 4.32Å
258A96.4Very high94.3Very high32 Ų3264.3 Ų64.326%0.26435%0.353SS..EExtended strand (participates in β ladder)trans-66.4162.2173.200000111.4G260 E261 C277A258-G260 PolarHBondContact O-N 2.83Å; A258-E261 HydrophobicContact CB-CG 4.08Å; A258-E261 PolarHBondContact N-OE2 3.18Å; A258-E261 WeakPolarHBondContact O-CB 3.49Å; A258-E261 PolarHBondContact O-N 2.05Å; A258-C277 WeakPolarHBondContact O-CB 3.35Å
259F96.6Very high94.1Very high67 Ų6773.3 Ų73.329%0.29439%0.389SS..THydrogen-bonded Turntrans-57.5129.7173.7-60.5-55.4000110.9F243 E261 N280 V284F243-F259 HydrophobicContact CB-CZ 3.89Å; F243-F259 WeakPolarHBondContact O-CE2 3.33Å; F259-E261 VanDerWaalsContact C-N 3.34Å; F259-N280 WeakPolarHBondContact CZ-O 3.37Å; F259-V284 HydrophobicContact CE1-CB 4.15Å; F259-V284 HydrophobicContact CE1-CG2 4.02Å
260G96.9Very high93.9Very high43 Ų4368.7 Ų68.744%0.44337%0.374SS..THydrogen-bonded Turntrans93.9-20.5-176.400000114.3A258 K276 C277A258-G260 PolarHBondContact O-N 2.83Å; G260-K276 VanDerWaalsContact O-CE 3.24Å; G260-K276 WeakPolarHBondContact O-CE 3.09Å; G260-C277 PolarHBondContact N-O 2.86Å
261E97.6Very high93.9Very high99 Ų9969.2 Ų69.246%0.46338%0.378SS..  trans-73157.1175.2-64.3-174.4154.800111.5F257 A258 F259 K276 C277F257-E261 WeakPolarHBondContact CA-OE2 3.14Å; F257-E261 HydrophobicContact CB-CB 4.28Å; F257-E261 HydrophobicContact CD1-CB 4.31Å; A258-E261 HydrophobicContact CB-CG 4.08Å; A258-E261 PolarHBondContact N-OE2 3.18Å; A258-E261 WeakPolarHBondContact O-CB 3.49Å; A258-E261 PolarHBondContact O-N 2.05Å; F259-E261 VanDerWaalsContact C-N 3.34Å; E261-K276 CarbonylContact O-C 3.56Å; E261-K276 WeakPolarHBondContact O-CA 3.35Å; E261-C277 PolarHBondContact O-N 3.02Å
262S97.4Very high94.2Very high34 Ų3463.8 Ų63.824%0.23836%0.355CS..EExtended strand (participates in β ladder)trans-138.4149.6-177.165.40000111.3R274 I275S262-R274 PolarHBondContact OG-NE 3.05Å; S262-R274 PolarHBondContact OG-NH2 2.85Å; S262-R274 VanDerWaalsContact OG-NH2 3.09Å; S262-I275 CarbonylContact C-O 3.59Å; S262-I275 WeakPolarHBondContact CA-O 3.45Å; S262-I275 WeakPolarHBondContact CB-O 3.32Å
263W97.1Very high94.6Very high9 Ų964.4 Ų64.43%0.03435%0.345CS..EExtended strand (participates in β ladder)trans-135.7169177.865.299.7000111.4C246 A248 E250 F257 R274 I275 C277 T286C246-W263 HydrophobicContact CB-CH2 4.01Å; C246-W263 HydrophobicContact CB-CZ3 4.33Å; A248-W263 HydrophobicContact CB-CD2 4.04Å; A248-W263 HydrophobicContact CB-CH2 4.14Å; A248-W263 HydrophobicContact CB-CZ2 3.37Å; E250-W263 HydrophobicContact CB-CB 4.17Å; E250-W263 HydrophobicContact CG-CB 4.21Å; E250-W263 WeakPolarHBondContact OE1-CB 3.02Å; F257-W263 HydrophobicContact CB-CE3 4Å; F257-W263 HydrophobicContact CB-CZ3 3.95Å; F257-W263 HydrophobicContact CD1-CB 4.21Å; F257-W263 HydrophobicContact CD1-CD2 4.46Å; F257-W263 AromaticContact CD1-CE3 3.83Å; F257-W263 HydrophobicContact CD1-CE3 3.83Å; F257-W263 AromaticContact CD2-CD2 3.93Å; F257-W263 HydrophobicContact CD2-CD2 3.93Å; F257-W263 AromaticContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CE3 3.64Å; F257-W263 HydrophobicContact CD2-CG 4.38Å; F257-W263 HydrophobicContact CD2-CZ3 4.07Å; F257-W263 HydrophobicContact CE1-CB 3.5Å; F257-W263 HydrophobicContact CE1-CD2 4.46Å; F257-W263 HydrophobicContact CE1-CE3 4.25Å; F257-W263 HydrophobicContact CE1-CG 4.21Å; F257-W263 HydrophobicContact CE2-CB 3.99Å; F257-W263 AromaticContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CD2 3.91Å; F257-W263 HydrophobicContact CE2-CE3 4.06Å; F257-W263 AromaticContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CE2-CG 3.89Å; F257-W263 HydrophobicContact CG-CD2 4.21Å; F257-W263 AromaticContact CG-CE3 3.5Å; F257-W263 HydrophobicContact CG-CE3 3.5Å; F257-W263 AromaticContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CG-CZ3 3.94Å; F257-W263 HydrophobicContact CZ-CB 3.37Å; F257-W263 HydrophobicContact CZ-CD2 4.19Å; F257-W263 HydrophobicContact CZ-CE3 4.35Å; F257-W263 AromaticContact CZ-CG 3.8Å; F257-W263 HydrophobicContact CZ-CG 3.8Å; W263-R274 CarbonylContact O-C 3.59Å; W263-R274 WeakPolarHBondContact O-CA 3.36Å; W263-I275 HydrophobicContact CD2-CB 4.16Å; W263-I275 HydrophobicContact CH2-CB 4.23Å; W263-I275 HydrophobicContact CH2-CG2 3.57Å; W263-I275 HydrophobicContact CZ2-CB 3.73Å; W263-I275 HydrophobicContact CZ2-CD1 4.43Å; W263-I275 HydrophobicContact CZ2-CG2 3.31Å; W263-I275 HydrophobicContact CZ3-CG2 4.27Å; W263-I275 PolarHBondContact N-O 2.83Å; W263-I275 PolarHBondContact O-N 3.33Å; W263-C277 HydrophobicContact CH2-CB 4.45Å; W263-C277 HydrophobicContact CZ3-CB 3.9Å; W263-T286 HydrophobicContact CH2-CG2 3.67Å; W263-T286 HydrophobicContact CZ2-CG2 4Å
264Y95.4Very high94.8Very high50 Ų5063.5 Ų63.520%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-102.9139.7174.7-63.2-80000111.9F251 Y273 R274 V292 R299F251-Y264 HydrophobicContact CZ-CD2 4.39Å; F251-Y264 HydrophobicContact CZ-CG 4.48Å; Y264-Y273 CarbonylContact C-O 3.54Å; Y264-Y273 WeakPolarHBondContact CA-O 3.29Å; Y264-R274 HydrophobicContact CD1-CB 3.96Å; Y264-R274 HydrophobicContact CD1-CG 4.2Å; Y264-R274 HydrophobicContact CE1-CB 3.65Å; Y264-R274 HydrophobicContact CE1-CG 3.72Å; Y264-V292 HydrophobicContact CD1-CG2 4.1Å; Y264-V292 HydrophobicContact CE1-CG2 3.85Å; Y264-R299 PolarHBondContact OH-NH2 3.31Å
265T94.3Very high94.9Very high30 Ų3061.8 Ų61.818%0.18432%0.32CS..PPolyproline II helixtrans-71159168.7670000110.6Y273 I275T265-Y273 HydrophobicContact CG2-CD2 4.48Å; T265-Y273 PolarHBondContact N-O 2.94Å; T265-Y273 PolarHBondContact OG1-N 3.08Å; T265-I275 HydrophobicContact CG2-CD1 3.41Å; T265-I275 VanDerWaalsContact CG2-CD1 3.41Å; T265-I275 HydrophobicContact CG2-CG1 3.95Å
266L92.2Very high95Very high96 Ų9659.5 Ų59.550%0.50331%0.313SS..PPolyproline II helixtrans-55.4134.5164.5-77.1166.3000109.8V268L266-V268 PolarHBondContact O-N 2.92Å
267P91.1Very high95Very high70 Ų7056.1 Ų56.146%0.45530%0.295SS..PPolyproline II helixtrans-62133.3174.5-22.233.1000111.7L271P267-L271 CarbonylContact C-O 3.6Å; P267-L271 WeakPolarHBondContact CA-O 3.4Å
268V90.2Very high95Very high108 Ų10856.7 Ų56.766%0.65530%0.3SS*.BIsolated β-bridgetrans-106.9106.3167.3-178.80000106.7L266 S270 L271L266-V268 PolarHBondContact O-N 2.92Å; V268-S270 PolarHBondContact O-N 2.6Å; V268-L271 PolarHBondContact N-O 3.13Å; V268-L271 PolarHBondContact O-N 3.25Å; V268-L271 VanDerWaalsContact O-N 3.15Å
269K89.6Confident95Very high203 Ų20356.9 Ų56.988%0.88331%0.305SS*.THydrogen-bonded Turntrans55.6-123.2-163.5-54.5178.1176.9-177.70109
270S91Very high95Very high41 Ų4157.6 Ų57.629%0.28731%0.312SS..THydrogen-bonded Turntrans-93.35.2-178.5-51.40000113.6V268 A293 N294 L295V268-S270 PolarHBondContact O-N 2.6Å; S270-A293 CarbonylContact O-C 3.59Å; S270-A293 WeakPolarHBondContact O-CA 3.45Å; S270-N294 VanDerWaalsContact CB-O 3.23Å; S270-N294 WeakPolarHBondContact CB-O 3.35Å; S270-N294 PolarHBondContact O-N 2.85Å; S270-L295 WeakPolarHBondContact OG-CD2 3.33Å
271L93.8Very high94.9Very high36 Ų3659.9 Ų59.919%0.18831%0.311CS..EExtended strand (participates in β ladder)trans-114.9134.9-173.8-62.7176.8000111.3P267 V268 V292 A293 F316 A328P267-L271 CarbonylContact C-O 3.6Å; P267-L271 WeakPolarHBondContact CA-O 3.4Å; V268-L271 PolarHBondContact N-O 3.13Å; V268-L271 PolarHBondContact O-N 3.25Å; V268-L271 VanDerWaalsContact O-N 3.15Å; L271-V292 CarbonylContact C-O 3.5Å; L271-V292 WeakPolarHBondContact CA-O 3.33Å; L271-A293 HydrophobicContact CD2-CB 3.97Å; L271-F316 HydrophobicContact CD2-CD2 4.45Å; L271-F316 HydrophobicContact CD2-CE2 3.84Å; L271-F316 HydrophobicContact CD2-CZ 4.48Å; L271-A328 HydrophobicContact CD1-CB 4.01Å; L271-A328 HydrophobicContact CD2-CB 4.27Å
272S94.8Very high94.8Very high12 Ų1264.6 Ų64.68%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-137.1172.2167.263.80000110.3V292S272-V292 PolarHBondContact N-O 3.43Å; S272-V292 PolarHBondContact O-N 2.96Å; S272-V292 WeakPolarHBondContact OG-CB 3.49Å
273Y95.8Very high94.8Very high54 Ų5465.9 Ų65.921%0.21233%0.334CS..EExtended strand (participates in β ladder)trans-123143.7179.1-58.5-85000109.6Y264 T265 I288 C291 V326 A328Y264-Y273 CarbonylContact C-O 3.54Å; Y264-Y273 WeakPolarHBondContact CA-O 3.29Å; T265-Y273 HydrophobicContact CG2-CD2 4.48Å; T265-Y273 PolarHBondContact N-O 2.94Å; T265-Y273 PolarHBondContact OG1-N 3.08Å; Y273-I288 HydrophobicContact CD1-CD1 4.24Å; Y273-I288 HydrophobicContact CD1-CG2 3.76Å; Y273-I288 HydrophobicContact CG-CD1 4.4Å; Y273-I288 HydrophobicContact CG-CG2 4.33Å; Y273-C291 HydrophobicContact CD1-CB 4.47Å; Y273-V326 HydrophobicContact CE1-CG1 4.47Å; Y273-A328 HydrophobicContact CE1-CB 3.7Å; Y273-A328 PolarHBondContact OH-N 2.89Å
274R97Very high94.7Very high75 Ų7567.3 Ų67.328%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-92.9119.7162.6-166.4-177.4176.5-178.5-3.4108.5S262 W263 Y264 V289 E290S262-R274 PolarHBondContact OG-NE 3.05Å; S262-R274 PolarHBondContact OG-NH2 2.85Å; S262-R274 VanDerWaalsContact OG-NH2 3.09Å; W263-R274 CarbonylContact O-C 3.59Å; W263-R274 WeakPolarHBondContact O-CA 3.36Å; Y264-R274 HydrophobicContact CD1-CB 3.96Å; Y264-R274 HydrophobicContact CD1-CG 4.2Å; Y264-R274 HydrophobicContact CE1-CB 3.65Å; Y264-R274 HydrophobicContact CE1-CG 3.72Å; R274-V289 HydrophobicContact CB-CG2 4.16Å; R274-V289 HydrophobicContact CG-CG2 4.05Å; R274-V289 WeakPolarHBondContact O-CG2 3.35Å; R274-V289 PolarHBondContact O-N 3.12Å; R274-E290 HydrophobicContact CB-CB 3.93Å; R274-E290 WeakPolarHBondContact CD-OE2 3.01Å; R274-E290 IonicContact CZ-OE2 2.88Å; R274-E290 PolarHBondContact N-O 2.85Å; R274-E290 IonicContact NE-OE2 3.48Å; R274-E290 IonicContact NH1-OE1 2.62Å; R274-E290 PolarHBondContact NH1-OE1 2.85Å; R274-E290 IonicContact NH1-OE2 3.73Å; R274-E290 PolarHBondContact NH1-OE2 2.87Å; R274-E290 PolarHBondContact O-N 2.77Å
275I96.9Very high94.7Very high26 Ų2673.3 Ų73.313%0.13337%0.366CS..EExtended strand (participates in β ladder)trans-107139.8178.8-56.2179.7000108.2S262 W263 T265 T286 E287 I288S262-I275 CarbonylContact C-O 3.59Å; S262-I275 WeakPolarHBondContact CA-O 3.45Å; S262-I275 WeakPolarHBondContact CB-O 3.32Å; W263-I275 HydrophobicContact CD2-CB 4.16Å; W263-I275 HydrophobicContact CH2-CB 4.23Å; W263-I275 HydrophobicContact CH2-CG2 3.57Å; W263-I275 HydrophobicContact CZ2-CB 3.73Å; W263-I275 HydrophobicContact CZ2-CD1 4.43Å; W263-I275 HydrophobicContact CZ2-CG2 3.31Å; W263-I275 HydrophobicContact CZ3-CG2 4.27Å; W263-I275 PolarHBondContact N-O 2.83Å; W263-I275 PolarHBondContact O-N 3.33Å; T265-I275 HydrophobicContact CG2-CD1 3.41Å; T265-I275 VanDerWaalsContact CG2-CD1 3.41Å; T265-I275 HydrophobicContact CG2-CG1 3.95Å; I275-T286 HydrophobicContact CG2-CG2 4.48Å; I275-E287 CarbonylContact C-O 3.43Å; I275-E287 WeakPolarHBondContact CA-O 3.44Å; I275-I288 HydrophobicContact CG1-CG1 4.05Å
276K97.6Very high94.8Very high81 Ų8176 Ų7635%0.35238%0.382SS..EExtended strand (participates in β ladder)trans-112.8135.5176.1-171.1176.3-177.9176.10110G260 E261 T278 E287 V289G260-K276 VanDerWaalsContact O-CE 3.24Å; G260-K276 WeakPolarHBondContact O-CE 3.09Å; E261-K276 CarbonylContact O-C 3.56Å; E261-K276 WeakPolarHBondContact O-CA 3.35Å; K276-T278 HydrophobicContact CB-CG2 4.46Å; K276-T278 HydrophobicContact CD-CG2 4.35Å; K276-T278 HydrophobicContact CG-CG2 4.18Å; K276-T278 PolarHBondContact O-N 2.87Å; K276-E287 PolarHBondContact N-O 2.78Å; K276-E287 PolarHBondContact O-N 3.47Å; K276-V289 HydrophobicContact CB-CG1 3.57Å; K276-V289 HydrophobicContact CB-CG2 4.11Å; K276-V289 HydrophobicContact CD-CG1 4.11Å; K276-V289 HydrophobicContact CG-CG1 4.49Å
277C97.4Very high94.9Very high0 Ų074.7 Ų74.70%037%0.373CS..EExtended strand (participates in β ladder)trans-76120.9168.5-167.60000108.8C246 F257 A258 G260 E261 W263C246-C277 HydrophobicContact CB-CB 3.79Å; C246-C277 WeakPolarHBondContact CB-SG 3.41Å; C246-C277 PolarHBondContact N-SG 3.27Å; C246-C277 WeakPolarHBondContact SG-CA 3.12Å; C246-C277 WeakPolarHBondContact SG-CB 3.43Å; C246-C277 CovalentContact SG-SG 2.05Å; C246-C277 PolarHBondContact SG-SG 3.08Å; F257-C277 HydrophobicContact CB-CB 4.32Å; A258-C277 WeakPolarHBondContact O-CB 3.35Å; G260-C277 PolarHBondContact N-O 2.86Å; E261-C277 PolarHBondContact O-N 3.02Å; W263-C277 HydrophobicContact CH2-CB 4.45Å; W263-C277 HydrophobicContact CZ3-CB 3.9Å
278T96.4Very high95.2Very high25 Ų2573.4 Ų73.415%0.15336%0.362CS..EExtended strand (participates in β ladder)trans-124.5144.7178.365.30000109.5K276 R285 E287K276-T278 HydrophobicContact CB-CG2 4.46Å; K276-T278 HydrophobicContact CD-CG2 4.35Å; K276-T278 HydrophobicContact CG-CG2 4.18Å; K276-T278 PolarHBondContact O-N 2.87Å; T278-R285 CarbonylContact C-O 3.6Å; T278-R285 PolarHBondContact N-O 2.88Å; T278-R285 PolarHBondContact O-N 3.15Å; T278-R285 WeakPolarHBondContact OG1-CG 3.24Å; T278-R285 PolarHBondContact OG1-NE 2.78Å; T278-R285 PolarHBondContact OG1-O 2.79Å; T278-R285 VanDerWaalsContact OG1-O 3.05Å; T278-E287 HydrophobicContact CG2-CB 4.39Å
279G95.4Very high95.5Very high36 Ų3670.2 Ų70.237%0.37134%0.343SS..EExtended strand (participates in β ladder)trans151.6-164.8-176.700000113.1S283G279-S283 CarbonylContact C-O 3.52Å; G279-S283 WeakPolarHBondContact CA-O 3.2Å
280N96.3Very high95.8Very high82 Ų8262.5 Ų62.544%0.43931%0.31SS..EExtended strand (participates in β ladder)trans-156.8-172.2178.257.639000108.7F259 R282 S283F259-N280 WeakPolarHBondContact CZ-O 3.37Å; N280-R282 PolarHBondContact O-N 3.47Å; N280-R282 WeakPolarHBondContact OD1-CA 3.33Å; N280-R282 WeakPolarHBondContact OD1-CB 3.49Å; N280-R282 PolarHBondContact OD1-N 2.86Å; N280-S283 PolarHBondContact N-O 2.81Å; N280-S283 PolarHBondContact O-N 3.14Å; N280-S283 PolarHBondContact OD1-N 3.07Å; N280-S283 VanDerWaalsContact OD1-N 3.08Å; N280-S283 PolarHBondContact OD1-OG 3.29Å
281E96.2Very high96.1Very high91 Ų9160.5 Ų60.543%0.42530%0.296SS..THydrogen-bonded Turntrans-60.8-12.2-179.4-69.8-173.3179.700115.2K233 V242 F243K233-E281 IonicContact NZ-OE1 3.07Å; K233-E281 PolarHBondContact NZ-OE1 3.3Å; K233-E281 IonicContact NZ-OE2 2.73Å; K233-E281 PolarHBondContact NZ-OE2 2.96Å; V242-E281 HydrophobicContact CB-CB 3.8Å; V242-E281 HydrophobicContact CB-CG 4.05Å; V242-E281 HydrophobicContact CG1-CB 4.03Å; V242-E281 HydrophobicContact CG1-CG 4.44Å; V242-E281 HydrophobicContact CG2-CB 4.42Å; V242-E281 HydrophobicContact CG2-CG 4.1Å; F243-E281 PolarHBondContact N-O 3.18Å
282R95.9Very high96.2Very high197 Ų19758.9 Ų58.974%0.74329%0.288SS*.THydrogen-bonded Turntrans-108-21.6-178.3-58-177.6178.1-175.4-1.5114.1F243 N280F243-R282 VanDerWaalsContact CD2-C 3.45Å; F243-R282 WeakPolarHBondContact CE2-O 3.34Å; N280-R282 PolarHBondContact O-N 3.47Å; N280-R282 WeakPolarHBondContact OD1-CA 3.33Å; N280-R282 WeakPolarHBondContact OD1-CB 3.49Å; N280-R282 PolarHBondContact OD1-N 2.86Å
283S96Very high96.2Very high62 Ų6258.3 Ų58.343%0.43428%0.284SS..EExtended strand (participates in β ladder)trans-154.2142.5-176.360.60000111G279 N280G279-S283 CarbonylContact C-O 3.52Å; G279-S283 WeakPolarHBondContact CA-O 3.2Å; N280-S283 PolarHBondContact N-O 2.81Å; N280-S283 PolarHBondContact O-N 3.14Å; N280-S283 PolarHBondContact OD1-N 3.07Å; N280-S283 VanDerWaalsContact OD1-N 3.08Å; N280-S283 PolarHBondContact OD1-OG 3.29Å
284V96Very high95.8Very high38 Ų3860.3 Ų60.323%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-127.6138175.260.80000109.6V228 F243 G245 C246 F259V228-V284 HydrophobicContact CG1-CG1 4.11Å; F243-V284 HydrophobicContact CB-CB 4.39Å; F243-V284 HydrophobicContact CD1-CB 4.1Å; F243-V284 HydrophobicContact CD1-CG1 3.44Å; F243-V284 VanDerWaalsContact CD1-CG1 3.44Å; F243-V284 HydrophobicContact CE1-CG1 3.62Å; F243-V284 HydrophobicContact CG-CB 4.25Å; F243-V284 HydrophobicContact CG-CG1 4.03Å; F243-V284 HydrophobicContact CZ-CG1 4.32Å; G245-V284 WeakPolarHBondContact O-CG2 3.04Å; C246-V284 HydrophobicContact CB-CG2 4.5Å; C246-V284 WeakPolarHBondContact SG-CG2 3.4Å; F259-V284 HydrophobicContact CE1-CB 4.15Å; F259-V284 HydrophobicContact CE1-CG2 4.02Å
285R95.2Very high95.1Very high177 Ų17758.2 Ų58.267%0.66829%0.292SS*.EExtended strand (participates in β ladder)trans-148.9151.5172.171.8-170.9-178.4-166.60.9110.9T278T278-R285 CarbonylContact C-O 3.6Å; T278-R285 PolarHBondContact N-O 2.88Å; T278-R285 PolarHBondContact O-N 3.15Å; T278-R285 WeakPolarHBondContact OG1-CG 3.24Å; T278-R285 PolarHBondContact OG1-NE 2.78Å; T278-R285 PolarHBondContact OG1-O 2.79Å; T278-R285 VanDerWaalsContact OG1-O 3.05Å
286T95.3Very high94.4Very high85 Ų8565.3 Ų65.352%0.52133%0.33SS..EExtended strand (participates in β ladder)trans-100.6135.6175.160.60000110.2C246 W263 I275C246-T286 HydrophobicContact CB-CG2 4.29Å; W263-T286 HydrophobicContact CH2-CG2 3.67Å; W263-T286 HydrophobicContact CZ2-CG2 4Å; I275-T286 HydrophobicContact CG2-CG2 4.48Å
287E95.3Very high93.4Very high70 Ų7067.3 Ų67.333%0.32734%0.341SS..EExtended strand (participates in β ladder)trans-125.5130.3177.8-179.6168.1-155.100110.9I275 K276 T278 V289 R320I275-E287 CarbonylContact C-O 3.43Å; I275-E287 WeakPolarHBondContact CA-O 3.44Å; K276-E287 PolarHBondContact N-O 2.78Å; K276-E287 PolarHBondContact O-N 3.47Å; T278-E287 HydrophobicContact CG2-CB 4.39Å; E287-V289 HydrophobicContact CG-CG1 4.42Å; E287-V289 PolarHBondContact O-N 2.96Å; E287-R320 IonicContact OE1-NH2 2.76Å; E287-R320 PolarHBondContact OE1-NH2 3.22Å; E287-R320 VanDerWaalsContact OE1-NH2 3.07Å
288I96.5Very high92.8Very high43 Ų4368.9 Ų68.922%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-70.8117.3168-64.8165.5000107.3Y273 I275 V304 V326Y273-I288 HydrophobicContact CD1-CD1 4.24Å; Y273-I288 HydrophobicContact CD1-CG2 3.76Å; Y273-I288 HydrophobicContact CG-CD1 4.4Å; Y273-I288 HydrophobicContact CG-CG2 4.33Å; I275-I288 HydrophobicContact CG1-CG1 4.05Å; I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.26Å; I288-V304 WeakPolarHBondContact O-CG2 3.37Å; I288-V326 HydrophobicContact CB-CB 4.15Å; I288-V326 HydrophobicContact CB-CG1 4.37Å; I288-V326 HydrophobicContact CB-CG2 4.08Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.5Å; I288-V326 HydrophobicContact CG2-CB 4.05Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.3Å
289V96.8Very high92.6Very high40 Ų4074.1 Ų74.124%0.24237%0.374CS..EExtended strand (participates in β ladder)trans-102.3-29.8-178.5-68.40000112.5R274 K276 E287 V304R274-V289 HydrophobicContact CB-CG2 4.16Å; R274-V289 HydrophobicContact CG-CG2 4.05Å; R274-V289 WeakPolarHBondContact O-CG2 3.35Å; R274-V289 PolarHBondContact O-N 3.12Å; K276-V289 HydrophobicContact CB-CG1 3.57Å; K276-V289 HydrophobicContact CB-CG2 4.11Å; K276-V289 HydrophobicContact CD-CG1 4.11Å; K276-V289 HydrophobicContact CG-CG1 4.49Å; E287-V289 HydrophobicContact CG-CG1 4.42Å; E287-V289 PolarHBondContact O-N 2.96Å; V289-V304 PolarHBondContact O-N 2.9Å
290E97.1Very high92.4Very high41 Ų4176.9 Ų76.919%0.19237%0.373CS..EExtended strand (participates in β ladder)trans-142.7146.5179.1-55.2171.9152.300110.8R274 T301 L302R274-E290 HydrophobicContact CB-CB 3.93Å; R274-E290 WeakPolarHBondContact CD-OE2 3.01Å; R274-E290 IonicContact CZ-OE2 2.88Å; R274-E290 PolarHBondContact N-O 2.85Å; R274-E290 IonicContact NE-OE2 3.48Å; R274-E290 IonicContact NH1-OE1 2.62Å; R274-E290 PolarHBondContact NH1-OE1 2.85Å; R274-E290 IonicContact NH1-OE2 3.73Å; R274-E290 PolarHBondContact NH1-OE2 2.87Å; R274-E290 PolarHBondContact O-N 2.77Å; E290-T301 HydrophobicContact CB-CG2 3.57Å; E290-T301 VanDerWaalsContact CD-CG2 3.47Å; E290-T301 HydrophobicContact CG-CG2 3.93Å; E290-T301 VanDerWaalsContact OE2-CG2 3.3Å; E290-T301 WeakPolarHBondContact OE2-CG2 3.36Å; E290-L302 CarbonylContact C-O 3.52Å; E290-L302 VanDerWaalsContact CA-O 3.24Å; E290-L302 WeakPolarHBondContact CA-O 3.34Å
291C96.8Very high92.3Very high0 Ų075.1 Ų75.10%037%0.366CS..EExtended strand (participates in β ladder)trans-97.4142163.5-56.50000109.1Y273 T301 L302 F316 C318 A328Y273-C291 HydrophobicContact CD1-CB 4.47Å; C291-T301 CarbonylContact O-C 3.51Å; C291-T301 WeakPolarHBondContact O-CA 3Å; C291-L302 PolarHBondContact N-O 3.2Å; C291-L302 PolarHBondContact O-N 3.31Å; C291-F316 HydrophobicContact CB-CE2 4.17Å; C291-F316 HydrophobicContact CB-CZ 3.62Å; C291-C318 HydrophobicContact CB-CB 3.48Å; C291-C318 VanDerWaalsContact CB-CB 3.48Å; C291-C318 WeakPolarHBondContact CB-SG 3.48Å; C291-C318 PolarHBondContact N-SG 2.89Å; C291-C318 VanDerWaalsContact SG-CA 3.51Å; C291-C318 WeakPolarHBondContact SG-CB 3.26Å; C291-C318 CovalentContact SG-SG 2.02Å; C291-C318 PolarHBondContact SG-SG 2.81Å; C291-A328 HydrophobicContact CB-CB 3.78Å
292V95.9Very high92.2Very high2 Ų271 Ų711%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-122.7128.5-178.4-177.70000108.9Y264 L271 S272 R299 R300 T301Y264-V292 HydrophobicContact CD1-CG2 4.1Å; Y264-V292 HydrophobicContact CE1-CG2 3.85Å; L271-V292 CarbonylContact C-O 3.5Å; L271-V292 WeakPolarHBondContact CA-O 3.33Å; S272-V292 PolarHBondContact N-O 3.43Å; S272-V292 PolarHBondContact O-N 2.96Å; S272-V292 WeakPolarHBondContact OG-CB 3.49Å; V292-R299 HydrophobicContact CG1-CG 3.85Å; V292-R300 WeakPolarHBondContact CA-O 3.11Å; V292-T301 HydrophobicContact CG2-CG2 4.15Å
293A93.9Very high92.2Very high0 Ų063.8 Ų63.80%033%0.325CS..EExtended strand (participates in β ladder)trans-109.8125.8169.700000109.2S270 L271 R299 R300 Y310 F316S270-A293 CarbonylContact O-C 3.59Å; S270-A293 WeakPolarHBondContact O-CA 3.45Å; L271-A293 HydrophobicContact CD2-CB 3.97Å; A293-R299 WeakPolarHBondContact O-CA 3.23Å; A293-R300 PolarHBondContact N-O 2.84Å; A293-R300 PolarHBondContact O-N 2.8Å; A293-Y310 HydrophobicContact CB-CD2 4.18Å; A293-Y310 HydrophobicContact CB-CE2 3.78Å; A293-F316 HydrophobicContact CB-CD1 3.91Å; A293-F316 HydrophobicContact CB-CD2 4.15Å; A293-F316 HydrophobicContact CB-CE1 3.74Å; A293-F316 HydrophobicContact CB-CE2 4.01Å; A293-F316 HydrophobicContact CB-CG 4.14Å; A293-F316 HydrophobicContact CB-CZ 3.8Å
294N88.8Confident92.1Very high96 Ų9662.7 Ų62.751%0.51332%0.316SS..EExtended strand (participates in β ladder)trans-119.9101.1176.3-1649.6000108.9S270S270-N294 VanDerWaalsContact CB-O 3.23Å; S270-N294 WeakPolarHBondContact CB-O 3.35Å; S270-N294 PolarHBondContact O-N 2.85Å
295L82.6Confident91.9Very high31 Ų3162.5 Ų62.516%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-126.4179.9178.5-63.6163000108.9S270 Q297 G298 Y310 L330S270-L295 WeakPolarHBondContact OG-CD2 3.33Å; L295-Q297 PolarHBondContact O-N 2.9Å; L295-G298 PolarHBondContact N-O 3.06Å; L295-G298 PolarHBondContact O-N 3.09Å; L295-Y310 HydrophobicContact CB-CE1 3.97Å; L295-Y310 WeakPolarHBondContact CB-OH 3.13Å; L295-Y310 HydrophobicContact CD1-CD1 3.92Å; L295-Y310 HydrophobicContact CD1-CE1 3.51Å; L295-Y310 HydrophobicContact CD1-CE2 4.48Å; L295-Y310 HydrophobicContact CG-CE1 4.27Å; L295-Y310 PolarHBondContact N-OH 3.37Å; L295-L330 HydrophobicContact CD1-CD1 4.14Å; L295-L330 HydrophobicContact CD1-CD2 3.36Å; L295-L330 HydrophobicContact CD1-CG 4.38Å; L295-L330 HydrophobicContact CD2-CD2 4.32Å; L295-L330 HydrophobicContact CG-CD2 4.4Å
296D80.9Confident91.7Very high174 Ų17456.9 Ų56.993%0.9330%0.302SS*.THydrogen-bonded Turntrans-56.7-26.4-178.4-49.1-31.1000113.3G298D296-G298 PolarHBondContact O-N 2.91Å
297Q76.7Confident91.5Very high124 Ų12452.8 Ų52.858%0.57928%0.278SS*.THydrogen-bonded Turntrans-81.12.7176.8-62.4171.4-20.300113.7L295 Y310 G311L295-Q297 PolarHBondContact O-N 2.9Å; Q297-Y310 HydrophobicContact CB-CE1 3.95Å; Q297-Y310 VanDerWaalsContact OE1-CD1 3.3Å; Q297-Y310 VanDerWaalsContact OE1-CE1 3.24Å; Q297-G311 VanDerWaalsContact OE1-CA 3.26Å
298G85.6Confident91.2Very high32 Ų3249.5 Ų49.533%0.3326%0.262SS..EExtended strand (participates in β ladder)trans107.2-162.217800000113.9L295 D296 Y310L295-G298 PolarHBondContact N-O 3.06Å; L295-G298 PolarHBondContact O-N 3.09Å; D296-G298 PolarHBondContact O-N 2.91Å; G298-Y310 PolarHBondContact O-OH 2.02Å
299R90.8Very high90.8Very high135 Ų13552.6 Ų52.651%0.50927%0.274SS..EExtended strand (participates in β ladder)trans-102123.2-176.1-176179.5171.8-170.1-5.9110.6Y264 V292 A293Y264-R299 PolarHBondContact OH-NH2 3.31Å; V292-R299 HydrophobicContact CG1-CG 3.85Å; A293-R299 WeakPolarHBondContact O-CA 3.23Å
300R92.2Very high90.2Very high94 Ų9451.2 Ų51.236%0.35527%0.265SS..EExtended strand (participates in β ladder)trans-114.8137.5169.7-164.775.9176.6-172.3-1.2109.9V292 A293 Y310 F316V292-R300 WeakPolarHBondContact CA-O 3.11Å; A293-R300 PolarHBondContact N-O 2.84Å; A293-R300 PolarHBondContact O-N 2.8Å; R300-Y310 HydrophobicContact CB-CD2 3.53Å; R300-Y310 HydrophobicContact CB-CE2 3.26Å; R300-Y310 HydrophobicContact CG-CD2 4.05Å; R300-Y310 HydrophobicContact CG-CE2 4.26Å; R300-F316 HydrophobicContact CB-CD1 4.39Å; R300-F316 HydrophobicContact CG-CD1 4.26Å
301T94.5Very high89.5Confident46 Ų4650.7 Ų50.728%0.28227%0.27SS..EExtended strand (participates in β ladder)trans-121.3136.3177.5-56.50000108.9E290 C291 V292E290-T301 HydrophobicContact CB-CG2 3.57Å; E290-T301 VanDerWaalsContact CD-CG2 3.47Å; E290-T301 HydrophobicContact CG-CG2 3.93Å; E290-T301 VanDerWaalsContact OE2-CG2 3.3Å; E290-T301 WeakPolarHBondContact OE2-CG2 3.36Å; C291-T301 CarbonylContact O-C 3.51Å; C291-T301 WeakPolarHBondContact O-CA 3Å; V292-T301 HydrophobicContact CG2-CG2 4.15Å
302L94.6Very high88.9Confident3 Ų357.2 Ų57.22%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-128.8125.5176.7-70.1179.4000110.5E290 C291 A308 F316 C318E290-L302 CarbonylContact C-O 3.52Å; E290-L302 VanDerWaalsContact CA-O 3.24Å; E290-L302 WeakPolarHBondContact CA-O 3.34Å; C291-L302 PolarHBondContact N-O 3.2Å; C291-L302 PolarHBondContact O-N 3.31Å; L302-A308 HydrophobicContact CD2-CB 3.85Å; L302-F316 HydrophobicContact CB-CD1 4.41Å; L302-F316 HydrophobicContact CB-CE1 4.05Å; L302-F316 HydrophobicContact CD1-CB 4.08Å; L302-F316 HydrophobicContact CD1-CD1 3.26Å; L302-F316 HydrophobicContact CD1-CD2 4.44Å; L302-F316 HydrophobicContact CD1-CE1 3.71Å; L302-F316 HydrophobicContact CD1-CG 3.68Å; L302-F316 HydrophobicContact CD1-CZ 4.44Å; L302-F316 WeakPolarHBondContact CD1-O 3.36Å; L302-F316 HydrophobicContact CG-CD1 3.6Å; L302-F316 HydrophobicContact CG-CE1 3.7Å; L302-F316 HydrophobicContact CG-CG 4.48Å; L302-C318 HydrophobicContact CB-CB 4.02Å
303P95.7Very high88.5Confident47 Ų4761 Ų6131%0.30533%0.325SS..EExtended strand (participates in β ladder)trans-52.2149.2162.9-25.731.8000112.5G305 Q306P303-G305 PolarHBondContact O-N 2.76Å; P303-Q306 HydrophobicContact CB-CG 4.3Å; P303-Q306 WeakPolarHBondContact O-CB 3.45Å; P303-Q306 PolarHBondContact O-N 2.97Å
304V93.9Very high88.3Confident39 Ų3965.7 Ų65.724%0.23634%0.343CS..THydrogen-bonded Turntrans-58.9131.1173.1-179.20000110.4I288 V289 R320 V326I288-V304 HydrophobicContact CG2-CG2 4.17Å; I288-V304 VanDerWaalsContact O-CG2 3.26Å; I288-V304 WeakPolarHBondContact O-CG2 3.37Å; V289-V304 PolarHBondContact O-N 2.9Å; V304-R320 HydrophobicContact CG1-CG 4.05Å; V304-V326 HydrophobicContact CG1-CG1 4.36Å; V304-V326 HydrophobicContact CG1-CG2 3.96Å; V304-V326 HydrophobicContact CG2-CG1 3.85Å; V304-V326 HydrophobicContact CG2-CG2 4.02Å
305G91.1Very high88.4Confident33 Ų3361.8 Ų61.834%0.3432%0.321SS..THydrogen-bonded Turntrans98.4-0.8-176.100000114.6P303 C318P303-G305 PolarHBondContact O-N 2.76Å; G305-C318 WeakPolarHBondContact CA-O 3.47Å; G305-C318 PolarHBondContact N-O 3.35Å
306Q91.3Very high88.9Confident59 Ų5960.3 Ų60.328%0.27631%0.314SS..EExtended strand (participates in β ladder)trans-113.6160.7-176.3-61-175.2-1.900113.1P303 C318 C351 V354P303-Q306 HydrophobicContact CB-CG 4.3Å; P303-Q306 WeakPolarHBondContact O-CB 3.45Å; P303-Q306 PolarHBondContact O-N 2.97Å; Q306-C318 PolarHBondContact N-O 2.89Å; Q306-C318 PolarHBondContact O-N 3.06Å; Q306-C351 VanDerWaalsContact C-SG 3.51Å; Q306-V354 HydrophobicContact CB-CG2 4.21Å; Q306-V354 HydrophobicContact CG-CG2 4.19Å
307C91.1Very high89.4Confident0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-139.4155.7167.644.80000109.8M315 F316 Y336 C351 R352 V354C307-M315 HydrophobicContact CB-CE 4.2Å; C307-F316 CarbonylContact C-O 3.55Å; C307-F316 WeakPolarHBondContact CA-O 3.24Å; C307-F316 VanDerWaalsContact CB-O 3.24Å; C307-F316 WeakPolarHBondContact CB-O 3.31Å; C307-Y336 PolarHBondContact SG-OH 2.91Å; C307-Y336 VanDerWaalsContact SG-OH 3.34Å; C307-C351 VanDerWaalsContact CA-SG 3.51Å; C307-C351 HydrophobicContact CB-CB 4.25Å; C307-C351 WeakPolarHBondContact CB-SG 3.43Å; C307-C351 PolarHBondContact N-SG 3.41Å; C307-C351 WeakPolarHBondContact SG-CB 3.4Å; C307-C351 CovalentContact SG-SG 2Å; C307-C351 PolarHBondContact SG-SG 2.84Å; C307-R352 PolarHBondContact N-O 3.25Å; C307-V354 PolarHBondContact O-N 2.8Å; C307-V354 VanDerWaalsContact O-N 3.08Å
308A89.7Confident90.3Very high1 Ų146.3 Ų46.31%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-144.1156.3170.200000109.3L302 F316L302-A308 HydrophobicContact CD2-CB 3.85Å; A308-F316 PolarHBondContact N-O 3.24Å; A308-F316 PolarHBondContact O-N 2.89Å
309K88Confident90.5Very high108 Ų10846.7 Ų46.747%0.4724%0.236SC..EExtended strand (participates in β ladder)trans-61.8139.4163.7-155.1-169.4-178.2-165.20108.2G311 D312 M315K309-G311 WeakPolarHBondContact CD-O 2.87Å; K309-G311 WeakPolarHBondContact CE-O 3.18Å; K309-G311 VanDerWaalsContact CG-O 3.28Å; K309-G311 WeakPolarHBondContact CG-O 3.3Å; K309-D312 WeakPolarHBondContact CE-O 3.45Å; K309-D312 PolarHBondContact NZ-O 2.86Å; K309-D312 IonicContact NZ-OD1 3.2Å; K309-D312 PolarHBondContact NZ-OD1 2.88Å; K309-M315 HydrophobicContact CB-SD 4.21Å; K309-M315 HydrophobicContact CG-SD 4.28Å
310Y83.9Confident90.5Very high11 Ų1145.7 Ų45.74%0.04323%0.233CC..EExtended strand (participates in β ladder)trans-125.2101.8175.4-166.4-64.5000106.9A293 L295 Q297 G298 R300 R314 F316 L330A293-Y310 HydrophobicContact CB-CD2 4.18Å; A293-Y310 HydrophobicContact CB-CE2 3.78Å; L295-Y310 HydrophobicContact CB-CE1 3.97Å; L295-Y310 WeakPolarHBondContact CB-OH 3.13Å; L295-Y310 HydrophobicContact CD1-CD1 3.92Å; L295-Y310 HydrophobicContact CD1-CE1 3.51Å; L295-Y310 HydrophobicContact CD1-CE2 4.48Å; L295-Y310 HydrophobicContact CG-CE1 4.27Å; L295-Y310 PolarHBondContact N-OH 3.37Å; Q297-Y310 HydrophobicContact CB-CE1 3.95Å; Q297-Y310 VanDerWaalsContact OE1-CD1 3.3Å; Q297-Y310 VanDerWaalsContact OE1-CE1 3.24Å; G298-Y310 PolarHBondContact O-OH 2.02Å; R300-Y310 HydrophobicContact CB-CD2 3.53Å; R300-Y310 HydrophobicContact CB-CE2 3.26Å; R300-Y310 HydrophobicContact CG-CD2 4.05Å; R300-Y310 HydrophobicContact CG-CE2 4.26Å; Y310-R314 PolarHBondContact N-O 3.48Å; Y310-R314 WeakPolarHBondContact O-CB 3.4Å; Y310-F316 HydrophobicContact CD2-CB 4.2Å; Y310-F316 HydrophobicContact CD2-CD1 4.41Å; Y310-L330 HydrophobicContact CG-CD1 4.22Å
311G82Confident90.3Very high29 Ų2943.7 Ų43.730%0.29923%0.229SC..THydrogen-bonded Turntrans71-153.9-169.200000112.4Q297 K309Q297-G311 VanDerWaalsContact OE1-CA 3.26Å; K309-G311 WeakPolarHBondContact CD-O 2.87Å; K309-G311 WeakPolarHBondContact CE-O 3.18Å; K309-G311 VanDerWaalsContact CG-O 3.28Å; K309-G311 WeakPolarHBondContact CG-O 3.3Å
312D83Confident89.8Confident138 Ų13846.9 Ų46.974%0.73826%0.26SS*.THydrogen-bonded Turntrans-93.1-27.3-175.1-75.6-40.2000115K309K309-D312 WeakPolarHBondContact CE-O 3.45Å; K309-D312 PolarHBondContact NZ-O 2.86Å; K309-D312 IonicContact NZ-OD1 3.2Å; K309-D312 PolarHBondContact NZ-OD1 2.88Å
313D88.4Confident89.5Confident80 Ų8051.3 Ų51.343%0.42829%0.291SS..THydrogen-bonded Turntrans-115.5-7.7-167.767.3-38.2000113.5T332 V333D313-T332 CarbonylContact O-C 3.56Å; D313-T332 VanDerWaalsContact O-CA 3.23Å; D313-T332 WeakPolarHBondContact O-CA 3.15Å; D313-V333 PolarHBondContact O-N 3.26Å
314R89.9Confident89Confident100 Ų10050.8 Ų50.838%0.37730%0.295SS..EExtended strand (participates in β ladder)trans-122.9152.7-174.5-59.8173.8-167.9-166.10.5114.3Y310 L330 V331Y310-R314 PolarHBondContact N-O 3.48Å; Y310-R314 WeakPolarHBondContact O-CB 3.4Å; R314-L330 HydrophobicContact CB-CD1 4.17Å; R314-L330 HydrophobicContact CB-CG 4.48Å; R314-V331 CarbonylContact C-O 3.24Å; R314-V331 VanDerWaalsContact CA-O 3.24Å; R314-V331 WeakPolarHBondContact CA-O 3.18Å; R314-V331 WeakPolarHBondContact CB-O 3.24Å
315M90.2Very high88.9Confident13 Ų1355.7 Ų55.76%0.06431%0.313CS..EExtended strand (participates in β ladder)trans-115.4127.2171.3-73.3-62.1-62.800109.1C307 K309 L330 V331 V333 Y336 L353C307-M315 HydrophobicContact CB-CE 4.2Å; K309-M315 HydrophobicContact CB-SD 4.21Å; K309-M315 HydrophobicContact CG-SD 4.28Å; M315-L330 WeakPolarHBondContact O-CA 3.39Å; M315-V331 HydrophobicContact CB-CG2 4.24Å; M315-V331 PolarHBondContact N-O 3.14Å; M315-V331 PolarHBondContact O-N 3.28Å; M315-V333 HydrophobicContact CG-CB 4.46Å; M315-V333 HydrophobicContact CG-CG2 3.94Å; M315-V333 HydrophobicContact SD-CG2 4.46Å; M315-Y336 HydrophobicContact CB-CD2 3.86Å; M315-Y336 HydrophobicContact CB-CG 3.81Å; M315-Y336 HydrophobicContact CE-CD1 4.2Å; M315-Y336 HydrophobicContact CE-CE1 4.03Å; M315-Y336 HydrophobicContact CE-CE2 4.45Å; M315-Y336 HydrophobicContact CE-CG 4.48Å; M315-Y336 HydrophobicContact CG-CD1 4.02Å; M315-Y336 HydrophobicContact CG-CD2 4.27Å; M315-Y336 HydrophobicContact CG-CG 3.75Å; M315-L353 HydrophobicContact CE-CD2 3.6Å
316F92.6Very high89Confident0 Ų054.4 Ų54.40%030%0.298CS..EExtended strand (participates in β ladder)trans-101.9127.3170.7-179.6-143.8000109.1L271 C291 A293 R300 L302 C307 A308 Y310 A328 R329 L330L271-F316 HydrophobicContact CD2-CD2 4.45Å; L271-F316 HydrophobicContact CD2-CE2 3.84Å; L271-F316 HydrophobicContact CD2-CZ 4.48Å; C291-F316 HydrophobicContact CB-CE2 4.17Å; C291-F316 HydrophobicContact CB-CZ 3.62Å; A293-F316 HydrophobicContact CB-CD1 3.91Å; A293-F316 HydrophobicContact CB-CD2 4.15Å; A293-F316 HydrophobicContact CB-CE1 3.74Å; A293-F316 HydrophobicContact CB-CE2 4.01Å; A293-F316 HydrophobicContact CB-CG 4.14Å; A293-F316 HydrophobicContact CB-CZ 3.8Å; R300-F316 HydrophobicContact CB-CD1 4.39Å; R300-F316 HydrophobicContact CG-CD1 4.26Å; L302-F316 HydrophobicContact CB-CD1 4.41Å; L302-F316 HydrophobicContact CB-CE1 4.05Å; L302-F316 HydrophobicContact CD1-CB 4.08Å; L302-F316 HydrophobicContact CD1-CD1 3.26Å; L302-F316 HydrophobicContact CD1-CD2 4.44Å; L302-F316 HydrophobicContact CD1-CE1 3.71Å; L302-F316 HydrophobicContact CD1-CG 3.68Å; L302-F316 HydrophobicContact CD1-CZ 4.44Å; L302-F316 WeakPolarHBondContact CD1-O 3.36Å; L302-F316 HydrophobicContact CG-CD1 3.6Å; L302-F316 HydrophobicContact CG-CE1 3.7Å; L302-F316 HydrophobicContact CG-CG 4.48Å; C307-F316 CarbonylContact C-O 3.55Å; C307-F316 WeakPolarHBondContact CA-O 3.24Å; C307-F316 VanDerWaalsContact CB-O 3.24Å; C307-F316 WeakPolarHBondContact CB-O 3.31Å; A308-F316 PolarHBondContact N-O 3.24Å; A308-F316 PolarHBondContact O-N 2.89Å; Y310-F316 HydrophobicContact CD2-CB 4.2Å; Y310-F316 HydrophobicContact CD2-CD1 4.41Å; F316-A328 HydrophobicContact CE2-CB 4.14Å; F316-R329 WeakPolarHBondContact CA-O 3.45Å; F316-R329 WeakPolarHBondContact CD2-O 3.24Å; F316-L330 HydrophobicContact CB-CD1 4.07Å
317S92.5Very high89Confident4 Ų453.8 Ų53.83%0.02830%0.296CS..EExtended strand (participates in β ladder)trans-130.7145.2176.767.10000112A328 R329S317-A328 CarbonylContact O-C 3.46Å; S317-A328 WeakPolarHBondContact O-CA 3.23Å; S317-R329 PolarHBondContact N-O 3.47Å; S317-R329 PolarHBondContact O-N 3.29Å
318C94.4Very high89.1Confident0 Ų054.2 Ų54.20%030%0.3CS..EExtended strand (participates in β ladder)trans-124.998175.4-170.80000108.3C291 L302 G305 Q306C291-C318 HydrophobicContact CB-CB 3.48Å; C291-C318 VanDerWaalsContact CB-CB 3.48Å; C291-C318 WeakPolarHBondContact CB-SG 3.48Å; C291-C318 PolarHBondContact N-SG 2.89Å; C291-C318 VanDerWaalsContact SG-CA 3.51Å; C291-C318 WeakPolarHBondContact SG-CB 3.26Å; C291-C318 CovalentContact SG-SG 2.02Å; C291-C318 PolarHBondContact SG-SG 2.81Å; L302-C318 HydrophobicContact CB-CB 4.02Å; G305-C318 WeakPolarHBondContact CA-O 3.47Å; G305-C318 PolarHBondContact N-O 3.35Å; Q306-C318 PolarHBondContact N-O 2.89Å; Q306-C318 PolarHBondContact O-N 3.06Å
319Q91.2Very high89.2Confident41 Ų4158.3 Ų58.319%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-134153.5-170.3-67.5-177.4-10.100112V326 I327 C351Q319-V326 CarbonylContact O-C 3.58Å; Q319-V326 WeakPolarHBondContact O-CA 3.45Å; Q319-I327 PolarHBondContact N-O 3.24Å; Q319-I327 PolarHBondContact O-N 3.26Å; Q319-C351 VanDerWaalsContact NE2-CB 3.32Å; Q319-C351 PolarHBondContact NE2-SG 2.86Å
320R90.5Very high89.3Confident114 Ų11455.3 Ų55.343%0.4330%0.304SS..EExtended strand (participates in β ladder)trans-82.7133.2168.5-68.9-178.6-170.8-88.53.8109.1E287 V304 G324 K325 V326E287-R320 IonicContact OE1-NH2 2.76Å; E287-R320 PolarHBondContact OE1-NH2 3.22Å; E287-R320 VanDerWaalsContact OE1-NH2 3.07Å; V304-R320 HydrophobicContact CG1-CG 4.05Å; R320-G324 PolarHBondContact NH1-O 3.29Å; R320-G324 VanDerWaalsContact NH1-O 3.14Å; R320-K325 CarbonylContact C-O 3.42Å; R320-K325 VanDerWaalsContact CA-O 3.32Å; R320-K325 WeakPolarHBondContact CA-O 3.41Å; R320-V326 HydrophobicContact CG-CG2 3.84Å
321D87.3Confident89.6Confident51 Ų5156 Ų5627%0.27331%0.309SS..  trans-76.6179170.369.815000111.5S323 G324 K325 I327D321-S323 VanDerWaalsContact CG-OG 3.27Å; D321-S323 PolarHBondContact O-N 2.86Å; D321-S323 VanDerWaalsContact O-N 3.13Å; D321-S323 VanDerWaalsContact OD1-CA 3.29Å; D321-S323 WeakPolarHBondContact OD1-CA 3.46Å; D321-S323 WeakPolarHBondContact OD1-CB 3.11Å; D321-S323 PolarHBondContact OD1-N 3.48Å; D321-S323 PolarHBondContact OD1-OG 2.94Å; D321-S323 PolarHBondContact OD2-OG 3.47Å; D321-G324 PolarHBondContact O-N 3.2Å; D321-G324 PolarHBondContact OD1-N 3.37Å; D321-G324 VanDerWaalsContact OD1-N 3.08Å; D321-K325 PolarHBondContact N-O 2.98Å; D321-K325 PolarHBondContact OD1-N 2.95Å; D321-I327 HydrophobicContact CB-CD1 3.81Å; D321-I327 HydrophobicContact CB-CG1 4.41Å; D321-I327 WeakPolarHBondContact OD2-CD1 3.35Å
322A84.7Confident90Very high114 Ų11456.9 Ų56.994%0.94231%0.309SS*.THydrogen-bonded Turntrans-60.8-19.4178.100000113.8G324A322-G324 VanDerWaalsContact C-N 3.35Å
323S87.6Confident90.1Very high96 Ų9652.1 Ų52.167%0.67128%0.284SS*.THydrogen-bonded Turntrans-88.2-2.4174.777.50000113.4D321 K325D321-S323 VanDerWaalsContact CG-OG 3.27Å; D321-S323 PolarHBondContact O-N 2.86Å; D321-S323 VanDerWaalsContact O-N 3.13Å; D321-S323 VanDerWaalsContact OD1-CA 3.29Å; D321-S323 WeakPolarHBondContact OD1-CA 3.46Å; D321-S323 WeakPolarHBondContact OD1-CB 3.11Å; D321-S323 PolarHBondContact OD1-N 3.48Å; D321-S323 PolarHBondContact OD1-OG 2.94Å; D321-S323 PolarHBondContact OD2-OG 3.47Å; S323-K325 VanDerWaalsContact C-N 3.32Å
324G86.6Confident89.8Confident36 Ų3656.2 Ų56.237%0.37130%0.301SS..SBendtrans84.6-0.3-176.200000114.5R320 D321 A322R320-G324 PolarHBondContact NH1-O 3.29Å; R320-G324 VanDerWaalsContact NH1-O 3.14Å; D321-G324 PolarHBondContact O-N 3.2Å; D321-G324 PolarHBondContact OD1-N 3.37Å; D321-G324 VanDerWaalsContact OD1-N 3.08Å; A322-G324 VanDerWaalsContact C-N 3.35Å
325K91Very high89.7Confident141 Ų14156.3 Ų56.361%0.61331%0.306SS*.  trans-75.9131.4179.3-177.5-177.9179.7-179.90109.9R320 D321 S323R320-K325 CarbonylContact C-O 3.42Å; R320-K325 VanDerWaalsContact CA-O 3.32Å; R320-K325 WeakPolarHBondContact CA-O 3.41Å; D321-K325 PolarHBondContact N-O 2.98Å; D321-K325 PolarHBondContact OD1-N 2.95Å; S323-K325 VanDerWaalsContact C-N 3.32Å
326V92.4Very high89.3Confident7 Ų756.4 Ų56.44%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-74.2128.5174.3-178.80000109.6Y273 I288 V304 Q319 R320Y273-V326 HydrophobicContact CE1-CG1 4.47Å; I288-V326 HydrophobicContact CB-CB 4.15Å; I288-V326 HydrophobicContact CB-CG1 4.37Å; I288-V326 HydrophobicContact CB-CG2 4.08Å; I288-V326 HydrophobicContact CD1-CB 3.91Å; I288-V326 HydrophobicContact CD1-CG2 4.5Å; I288-V326 HydrophobicContact CG2-CB 4.05Å; I288-V326 HydrophobicContact CG2-CG1 3.73Å; I288-V326 HydrophobicContact CG2-CG2 4.3Å; V304-V326 HydrophobicContact CG1-CG1 4.36Å; V304-V326 HydrophobicContact CG1-CG2 3.96Å; V304-V326 HydrophobicContact CG2-CG1 3.85Å; V304-V326 HydrophobicContact CG2-CG2 4.02Å; Q319-V326 CarbonylContact O-C 3.58Å; Q319-V326 WeakPolarHBondContact O-CA 3.45Å; R320-V326 HydrophobicContact CG-CG2 3.84Å
327I92.2Very high88.6Confident46 Ų4663 Ų6324%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-124.5124.7177.4-55.2-175.3000108.7Q319 D321 R329Q319-I327 PolarHBondContact N-O 3.24Å; Q319-I327 PolarHBondContact O-N 3.26Å; D321-I327 HydrophobicContact CB-CD1 3.81Å; D321-I327 HydrophobicContact CB-CG1 4.41Å; D321-I327 WeakPolarHBondContact OD2-CD1 3.35Å; I327-R329 HydrophobicContact CG2-CG 3.84Å
328A93.3Very high88Confident8 Ų869.3 Ų69.37%0.06636%0.36CS..EExtended strand (participates in β ladder)trans-84.413016500000109.5L271 Y273 C291 F316 S317L271-A328 HydrophobicContact CD1-CB 4.01Å; L271-A328 HydrophobicContact CD2-CB 4.27Å; Y273-A328 HydrophobicContact CE1-CB 3.7Å; Y273-A328 PolarHBondContact OH-N 2.89Å; C291-A328 HydrophobicContact CB-CB 3.78Å; F316-A328 HydrophobicContact CE2-CB 4.14Å; S317-A328 CarbonylContact O-C 3.46Å; S317-A328 WeakPolarHBondContact O-CA 3.23Å
329R91.8Very high87Confident88 Ų8872.1 Ų72.133%0.33238%0.375SS..EExtended strand (participates in β ladder)trans-129.1135.1175.1-62.6-176.8177.4158.10110.8F316 S317 I327 V331F316-R329 WeakPolarHBondContact CA-O 3.45Å; F316-R329 WeakPolarHBondContact CD2-O 3.24Å; S317-R329 PolarHBondContact N-O 3.47Å; S317-R329 PolarHBondContact O-N 3.29Å; I327-R329 HydrophobicContact CG2-CG 3.84Å; R329-V331 HydrophobicContact CB-CG1 4.48Å
330L90.3Very high86Confident45 Ų4574 Ų7424%0.23638%0.384CS..EExtended strand (participates in β ladder)trans-118.4111.1167.7-173.180.6000107.1L295 Y310 R314 M315 F316L295-L330 HydrophobicContact CD1-CD1 4.14Å; L295-L330 HydrophobicContact CD1-CD2 3.36Å; L295-L330 HydrophobicContact CD1-CG 4.38Å; L295-L330 HydrophobicContact CD2-CD2 4.32Å; L295-L330 HydrophobicContact CG-CD2 4.4Å; Y310-L330 HydrophobicContact CG-CD1 4.22Å; R314-L330 HydrophobicContact CB-CD1 4.17Å; R314-L330 HydrophobicContact CB-CG 4.48Å; M315-L330 WeakPolarHBondContact O-CA 3.39Å; F316-L330 HydrophobicContact CB-CD1 4.07Å
331V90.5Very high84.6Confident25 Ų2578.9 Ų78.915%0.15240%0.402CS..EExtended strand (participates in β ladder)trans-130.3162.4-176-66.70000109.2R314 M315 R329 E335 Y336 L339R314-V331 CarbonylContact C-O 3.24Å; R314-V331 VanDerWaalsContact CA-O 3.24Å; R314-V331 WeakPolarHBondContact CA-O 3.18Å; R314-V331 WeakPolarHBondContact CB-O 3.24Å; M315-V331 HydrophobicContact CB-CG2 4.24Å; M315-V331 PolarHBondContact N-O 3.14Å; M315-V331 PolarHBondContact O-N 3.28Å; R329-V331 HydrophobicContact CB-CG1 4.48Å; V331-E335 HydrophobicContact CB-CB 4.07Å; V331-Y336 HydrophobicContact CG2-CD2 4.13Å; V331-Y336 HydrophobicContact CG2-CG 4.5Å; V331-L339 HydrophobicContact CG1-CD1 4.32Å
332T90.1Very high83.1Confident48 Ų4881.1 Ų81.129%0.29442%0.418SS..EExtended strand (participates in β ladder)trans-66156.2171.1660000110.6D313 Q334 E335 Y336D313-T332 CarbonylContact O-C 3.56Å; D313-T332 VanDerWaalsContact O-CA 3.23Å; D313-T332 WeakPolarHBondContact O-CA 3.15Å; T332-Q334 PolarHBondContact O-N 2.87Å; T332-E335 PolarHBondContact N-OE2 2.95Å; T332-E335 PolarHBondContact O-N 3.14Å; T332-E335 WeakPolarHBondContact OG1-CB 3.48Å; T332-E335 WeakPolarHBondContact OG1-CG 2.95Å; T332-E335 PolarHBondContact OG1-N 3.35Å; T332-E335 VanDerWaalsContact OG1-N 3.14Å; T332-E335 PolarHBondContact OG1-OE2 3.25Å; T332-Y336 WeakPolarHBondContact O-CB 2.78Å; T332-Y336 PolarHBondContact O-N 3.07Å
333V84.4Confident81.4Confident37 Ų3782.3 Ų82.322%0.22440%0.402CS..Hα-helixtrans-56.5-38.8175.5172.10000110.7D313 M315 Y336 Y337D313-V333 PolarHBondContact O-N 3.26Å; M315-V333 HydrophobicContact CG-CB 4.46Å; M315-V333 HydrophobicContact CG-CG2 3.94Å; M315-V333 HydrophobicContact SD-CG2 4.46Å; V333-Y336 WeakPolarHBondContact O-CB 3.19Å; V333-Y336 PolarHBondContact O-N 3.3Å; V333-Y337 HydrophobicContact CG1-CD2 3.88Å; V333-Y337 HydrophobicContact CG1-CE2 3.53Å; V333-Y337 WeakPolarHBondContact O-CD2 3.47Å; V333-Y337 PolarHBondContact O-N 2.59Å
334Q83.5Confident79.1Confident167 Ų16783.8 Ų83.878%0.7841%0.407SS*.Hα-helixtrans-65-48.3177.4-66.8178.6-7.800112.1T332 Y336 Y337 H338T332-Q334 PolarHBondContact O-N 2.87Å; Q334-Y336 VanDerWaalsContact C-N 3.28Å; Q334-Y336 PolarHBondContact O-N 3.06Å; Q334-Y337 PolarHBondContact O-N 3.42Å; Q334-H338 PolarHBondContact O-N 2.9Å
335E86.6Confident77Confident101 Ų10186.8 Ų86.847%0.47243%0.428SS..Hα-helixtrans-59.9-39.2175.4-76.1168.5162.600111.7V331 T332 Y337 H338 L339V331-E335 HydrophobicContact CB-CB 4.07Å; T332-E335 PolarHBondContact N-OE2 2.95Å; T332-E335 PolarHBondContact O-N 3.14Å; T332-E335 WeakPolarHBondContact OG1-CB 3.48Å; T332-E335 WeakPolarHBondContact OG1-CG 2.95Å; T332-E335 PolarHBondContact OG1-N 3.35Å; T332-E335 VanDerWaalsContact OG1-N 3.14Å; T332-E335 PolarHBondContact OG1-OE2 3.25Å; E335-Y337 PolarHBondContact O-N 2.82Å; E335-H338 WeakPolarHBondContact O-CB 3.11Å; E335-H338 PolarHBondContact O-N 2.79Å; E335-L339 VanDerWaalsContact O-CG 3.31Å; E335-L339 WeakPolarHBondContact O-CG 3.28Å; E335-L339 PolarHBondContact O-N 2.9Å
336Y82.2Confident74.6Confident15 Ų1586.3 Ų86.36%0.05944%0.437CS..Hα-helixtrans-60.1-46.5178.2-176.8-97.6000112.2C307 M315 V331 T332 V333 Q334 H338 L339 Q340 C351C307-Y336 PolarHBondContact SG-OH 2.91Å; C307-Y336 VanDerWaalsContact SG-OH 3.34Å; M315-Y336 HydrophobicContact CB-CD2 3.86Å; M315-Y336 HydrophobicContact CB-CG 3.81Å; M315-Y336 HydrophobicContact CE-CD1 4.2Å; M315-Y336 HydrophobicContact CE-CE1 4.03Å; M315-Y336 HydrophobicContact CE-CE2 4.45Å; M315-Y336 HydrophobicContact CE-CG 4.48Å; M315-Y336 HydrophobicContact CG-CD1 4.02Å; M315-Y336 HydrophobicContact CG-CD2 4.27Å; M315-Y336 HydrophobicContact CG-CG 3.75Å; V331-Y336 HydrophobicContact CG2-CD2 4.13Å; V331-Y336 HydrophobicContact CG2-CG 4.5Å; T332-Y336 WeakPolarHBondContact O-CB 2.78Å; T332-Y336 PolarHBondContact O-N 3.07Å; V333-Y336 WeakPolarHBondContact O-CB 3.19Å; V333-Y336 PolarHBondContact O-N 3.3Å; Q334-Y336 VanDerWaalsContact C-N 3.28Å; Q334-Y336 PolarHBondContact O-N 3.06Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 3.38Å; Y336-L339 PolarHBondContact O-N 3.19Å; Y336-Q340 HydrophobicContact CD1-CG 4.37Å; Y336-Q340 VanDerWaalsContact CE1-CD 3.45Å; Y336-Q340 HydrophobicContact CE1-CG 3.87Å; Y336-Q340 PolarHBondContact O-N 3.16Å; Y336-Q340 PolarHBondContact OH-NE2 3.47Å; Y336-C351 WeakPolarHBondContact OH-CB 3.06Å
337Y78.2Confident72Confident140 Ų14094.6 Ų94.655%0.54948%0.475SS..Hα-helixtrans-65.5-35.3176.3-76.7-63.5000112.3V333 Q334 E335 R341V333-Y337 HydrophobicContact CG1-CD2 3.88Å; V333-Y337 HydrophobicContact CG1-CE2 3.53Å; V333-Y337 WeakPolarHBondContact O-CD2 3.47Å; V333-Y337 PolarHBondContact O-N 2.59Å; Q334-Y337 PolarHBondContact O-N 3.42Å; E335-Y337 PolarHBondContact O-N 2.82Å; Y337-R341 PolarHBondContact O-N 3.39Å; Y337-R341 VanDerWaalsContact O-N 3.17Å
338H79.1Confident69.6Low136 Ų13698.1 Ų98.163%0.6350%0.504SS*.Hα-helixtrans-63.3-46.2173.6-168.1-56.6000111.2Q334 E335 Y336 R341 T342Q334-H338 PolarHBondContact O-N 2.9Å; E335-H338 WeakPolarHBondContact O-CB 3.11Å; E335-H338 PolarHBondContact O-N 2.79Å; Y336-H338 VanDerWaalsContact C-N 3.31Å; Y336-H338 PolarHBondContact O-N 3.38Å; H338-R341 PolarHBondContact O-N 2.91Å; H338-T342 PolarHBondContact O-N 3.29Å; H338-T342 PolarHBondContact O-OG1 2.91Å
339L74.1Confident67.6Low59 Ų59101.1 Ų101.131%0.30952%0.524SS..Hα-helixtrans-60.8-47.7177.9-71.7168.1000110.8V331 E335 Y336 R341 T342 F343V331-L339 HydrophobicContact CG1-CD1 4.32Å; E335-L339 VanDerWaalsContact O-CG 3.31Å; E335-L339 WeakPolarHBondContact O-CG 3.28Å; E335-L339 PolarHBondContact O-N 2.9Å; Y336-L339 PolarHBondContact O-N 3.19Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2Å; L339-T342 PolarHBondContact O-N 3.34Å; L339-F343 HydrophobicContact CD2-CE2 4.34Å; L339-F343 WeakPolarHBondContact O-CD2 3.09Å; L339-F343 PolarHBondContact O-N 3.08Å
340Q70.2Confident65.8Low81 Ų81102.1 Ų102.138%0.37955%0.545SS..Hα-helixtrans-58.5-36.7178.6-78.7-159.6-28.200113.3Y336 T342 F343Y336-Q340 HydrophobicContact CD1-CG 4.37Å; Y336-Q340 VanDerWaalsContact CE1-CD 3.45Å; Y336-Q340 HydrophobicContact CE1-CG 3.87Å; Y336-Q340 PolarHBondContact O-N 3.16Å; Y336-Q340 PolarHBondContact OH-NE2 3.47Å; Q340-T342 PolarHBondContact O-N 3.17Å; Q340-F343 PolarHBondContact O-N 3.09Å
341R59.8Low64.6Low215 Ų215100.5 Ų100.581%0.81154%0.537SS*.Hα-helixtrans-66.6-24.2176.1-77.4-176.4178.6-179.20.5113.5Y337 H338 L339 T344Y337-R341 PolarHBondContact O-N 3.39Å; Y337-R341 VanDerWaalsContact O-N 3.17Å; H338-R341 PolarHBondContact O-N 2.91Å; L339-R341 VanDerWaalsContact C-N 3.27Å; L339-R341 PolarHBondContact O-N 2Å; R341-T344 PolarHBondContact O-OG1 3.12Å
342T56.1Low63.2Low98 Ų98108.8 Ų108.860%0.60157%0.566SS**Hα-helixtrans-85.8-19.3177.3-27.80000112.4H338 L339 Q340H338-T342 PolarHBondContact O-N 3.29Å; H338-T342 PolarHBondContact O-OG1 2.91Å; L339-T342 PolarHBondContact O-N 3.34Å; Q340-T342 PolarHBondContact O-N 3.17Å
343F49.2Very low61.9Low139 Ų139112.1 Ų112.161%0.6158%0.581SS**  trans-103.563.1-179.6-69.7-75.1000112L339 Q340L339-F343 HydrophobicContact CD2-CE2 4.34Å; L339-F343 WeakPolarHBondContact O-CD2 3.09Å; L339-F343 PolarHBondContact O-N 3.08Å; Q340-F343 PolarHBondContact O-N 3.09Å
344T40.5Very low60.7Low128 Ų128113.1 Ų113.179%0.78559%0.587SS**  trans-107.59.3175.823.50000114.7R341R341-T344 PolarHBondContact O-OG1 3.12Å
345A40.6Very low59.1Low99 Ų99117.4 Ų117.482%0.81860%0.603SS**SBendtrans-125.85.6-173.400000116.6
346V41.1Very low57.7Low130 Ų130118.3 Ų118.379%0.78861%0.61SS**SBendtrans-125.8118.6174.5-173.50000109.6
347Q39.2Very low56.4Low181 Ų181123.7 Ų123.785%0.84664%0.639SS**  trans-47.7140.6-178-74.6169.7-32.100112.8
348S40.4Very low55.2Low120 Ų120122.8 Ų122.884%0.83964%0.644SS**SBendtrans81.235.314882.90000122
349S51Low53.8Low71 Ų71122 Ų12250%0.49765%0.645SS.*  trans-146.161.9154.665.10000113.1C351S349-C351 PolarHBondContact O-N 3.38Å; S349-C351 VanDerWaalsContact O-N 3.14Å
350S55.8Low52.6Low110 Ų110125.9 Ų125.977%0.76967%0.666SS**  trans-55.2118.8157.8167.50000107.8R352S350-R352 PolarHBondContact O-N 3.16Å; S350-R352 VanDerWaalsContact O-N 3.12Å
351C63.8Low51.4Low10 Ų10128.9 Ų128.97%0.06869%0.685CS.*  trans-67.7113.2-176.8-162.30000109.9Q306 C307 Q319 Y336 S349 L353Q306-C351 VanDerWaalsContact C-SG 3.51Å; C307-C351 VanDerWaalsContact CA-SG 3.51Å; C307-C351 HydrophobicContact CB-CB 4.25Å; C307-C351 WeakPolarHBondContact CB-SG 3.43Å; C307-C351 PolarHBondContact N-SG 3.41Å; C307-C351 WeakPolarHBondContact SG-CB 3.4Å; C307-C351 CovalentContact SG-SG 2Å; C307-C351 PolarHBondContact SG-SG 2.84Å; Q319-C351 VanDerWaalsContact NE2-CB 3.32Å; Q319-C351 PolarHBondContact NE2-SG 2.86Å; Y336-C351 WeakPolarHBondContact OH-CB 3.06Å; S349-C351 PolarHBondContact O-N 3.38Å; S349-C351 VanDerWaalsContact O-N 3.14Å; C351-L353 PolarHBondContact O-N 3.23Å; C351-L353 VanDerWaalsContact O-N 3.09Å
352R61.4Low50.8Low200 Ų200122.8 Ų122.876%0.75568%0.676SS**EExtended strand (participates in β ladder)trans-71.4108.4174.5-70.1-173.3-174.2-175.22.2108.1C307 S350 V354C307-R352 PolarHBondContact N-O 3.25Å; S350-R352 PolarHBondContact O-N 3.16Å; S350-R352 VanDerWaalsContact O-N 3.12Å; R352-V354 PolarHBondContact O-N 3.2Å; R352-V354 VanDerWaalsContact O-N 3.16Å
353L62Low50.4Low117 Ų117124.7 Ų124.761%0.61368%0.682SS**EExtended strand (participates in β ladder)trans-62.7112.9170.8-71.9169.1000108.2M315 C351M315-L353 HydrophobicContact CE-CD2 3.6Å; C351-L353 PolarHBondContact O-N 3.23Å; C351-L353 VanDerWaalsContact O-N 3.09Å
354V60.3Low50.5Low58 Ų58123.5 Ų123.535%0.35269%0.688SS.*  trans-83.9121.3167.1-176.10000106.8Q306 C307 R352Q306-V354 HydrophobicContact CB-CG2 4.21Å; Q306-V354 HydrophobicContact CG-CG2 4.19Å; C307-V354 PolarHBondContact O-N 2.8Å; C307-V354 VanDerWaalsContact O-N 3.08Å; R352-V354 PolarHBondContact O-N 3.2Å; R352-V354 VanDerWaalsContact O-N 3.16Å
355K49.7Very low51.4Low258 Ų258123.1 Ų123.1100%1.12268%0.679SS**  trans-61.30175.8-78.4-172.7175.5-178.20111.5

Retrieved 355 of 355 residues in 442.7 ms (Link to these results)