A0A087X3U6_POEFO Loading...

Achalasia, adrenocortical insufficiency, alacrimia

AlphaFold DB , UniProt , Accession A0A087X3U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 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
1S42.3Very low83.6Confident84 Ų8444.5 Ų44.559%0.58725%0.245SC*.  0119066.90000111.2C3 S370S1-C3 PolarHBondContact O-N 2.62Å; S1-S370 PolarHBondContact N-O 3.28Å; S1-S370 PolarHBondContact N-OXT 3.28Å
2D49.8Very low84.5Confident167 Ų16743.9 Ų43.989%0.89324%0.244SC*.  trans-64.349.4-178.8-69.1-27.7000115.5
3C61.6Low85.1Confident26 Ų2647.9 Ų47.918%0.17626%0.26CS..  trans-93.5108177.5-145.90000110.2S1 L21 L22S1-C3 PolarHBondContact O-N 2.62Å; C3-L21 HydrophobicContact CB-CB 4.24Å; C3-L21 HydrophobicContact CB-CD1 4.27Å; C3-L21 HydrophobicContact CB-CD2 4.41Å; C3-L22 PolarHBondContact SG-N 2.92Å; C3-L22 VanDerWaalsContact SG-N 3.37Å
4V87.3Confident85.6Confident58 Ų5848.7 Ų48.735%0.35227%0.267SS..  trans-58137.1175.5-177.80000110.2R6 L22V4-R6 PolarHBondContact O-N 3.39Å; V4-L22 PolarHBondContact O-N 2.85Å
5V94.9Very high86Confident12 Ų1250 Ų507%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-73.9122.7176.9-179.30000109.5A7 F8 V19 L21 L304 C320 I326V5-A7 WeakPolarHBondContact CG1-O 3.49Å; V5-F8 HydrophobicContact CG1-CB 4.47Å; V5-V19 HydrophobicContact CB-CG1 4.42Å; V5-V19 HydrophobicContact CG1-CG1 3.83Å; V5-V19 HydrophobicContact CG2-CG1 3.82Å; V5-L21 HydrophobicContact CG2-CD2 4.44Å; V5-L304 HydrophobicContact CG1-CD1 3.87Å; V5-C320 HydrophobicContact CB-CB 4.3Å; V5-C320 HydrophobicContact CG1-CB 4.29Å; V5-I326 HydrophobicContact CG2-CD1 4.27Å; V5-I326 HydrophobicContact CG2-CG1 4.35Å
6R94.5Very high86.5Confident88 Ų8847.3 Ų47.333%0.33226%0.258SS..EExtended strand (participates in β ladder)trans-86.3-42.5174.1-75.7-175.6179.7-103.4-1.5112.3V4 A20 L21 L22 N46 V47V4-R6 PolarHBondContact O-N 3.39Å; R6-A20 PolarHBondContact N-O 3.4Å; R6-L21 WeakPolarHBondContact CD-O 3.12Å; R6-L22 HydrophobicContact CG-CD1 4.11Å; R6-L22 PolarHBondContact NE-O 3.07Å; R6-L22 VanDerWaalsContact NE-O 3.17Å; R6-L22 PolarHBondContact NH2-O 3.18Å; R6-N46 PolarHBondContact NH1-OD1 3.49Å; R6-V47 WeakPolarHBondContact CD-O 3.48Å
7A97.5Very high87.1Confident7 Ų746.1 Ų46.16%0.05825%0.25CC..EExtended strand (participates in β ladder)trans-148.6151.2-179.100000110.6V5 A20 V50V5-A7 WeakPolarHBondContact CG1-O 3.49Å; A7-A20 HydrophobicContact CB-CB 3.97Å; A7-A20 PolarHBondContact N-O 2.8Å; A7-A20 PolarHBondContact O-N 2.62Å; A7-V50 HydrophobicContact CB-CG2 3.94Å
8F98.3Very high87.7Confident23 Ų2343.5 Ų43.510%0.10124%0.236CC..EExtended strand (participates in β ladder)trans-137.5140.2-178.5176.7-84.8000108.9V5 W10 F17 A18 V19 L304 Q306 T318 I326V5-F8 HydrophobicContact CG1-CB 4.47Å; F8-W10 AromaticContact CE1-CD1 3.48Å; F8-W10 VanDerWaalsContact CE1-CD1 3.48Å; F8-W10 HydrophobicContact CE1-CD2 4.27Å; F8-W10 AromaticContact CE1-CG 3.91Å; F8-W10 HydrophobicContact CE1-CG 3.91Å; F8-W10 AromaticContact CE1-NE1 3.55Å; F8-W10 AromaticContact CZ-CD1 3.99Å; F8-W10 HydrophobicContact CZ-CD2 4.07Å; F8-W10 AromaticContact CZ-CE2 3.71Å; F8-W10 HydrophobicContact CZ-CG 4.2Å; F8-W10 HydrophobicContact CZ-CZ2 4.19Å; F8-W10 AromaticContact CZ-NE1 3.68Å; F8-F17 HydrophobicContact CD2-CD2 4.23Å; F8-F17 HydrophobicContact CE2-CB 4.13Å; F8-F17 AromaticContact CE2-CD2 3.34Å; F8-F17 HydrophobicContact CE2-CD2 3.34Å; F8-F17 AromaticContact CE2-CE2 3.89Å; F8-F17 HydrophobicContact CE2-CE2 3.89Å; F8-F17 AromaticContact CE2-CG 3.92Å; F8-F17 HydrophobicContact CE2-CG 3.92Å; F8-F17 HydrophobicContact CZ-CB 3.86Å; F8-F17 AromaticContact CZ-CD2 3.88Å; F8-F17 HydrophobicContact CZ-CD2 3.88Å; F8-F17 AromaticContact CZ-CG 3.96Å; F8-F17 HydrophobicContact CZ-CG 3.96Å; F8-A18 WeakPolarHBondContact CA-O 3.44Å; F8-V19 HydrophobicContact CD2-CG2 4.05Å; F8-V19 HydrophobicContact CE2-CG2 4.3Å; F8-L304 HydrophobicContact CB-CD1 4Å; F8-Q306 HydrophobicContact CD1-CB 4.19Å; F8-Q306 HydrophobicContact CE1-CB 4.25Å; F8-T318 HydrophobicContact CE1-CG2 3.97Å; F8-T318 HydrophobicContact CE2-CG2 3.96Å; F8-T318 HydrophobicContact CZ-CG2 3.65Å; F8-I326 HydrophobicContact CD2-CD1 4.24Å; F8-I326 HydrophobicContact CE2-CD1 4.4Å; F8-I326 HydrophobicContact CE2-CG2 4.39Å
9A98.4Very high88.3Confident5 Ų541.4 Ų41.44%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-148.5119.8172.900000112.8F17 A18 V50 W52A9-F17 CarbonylContact O-C 3.49Å; A9-F17 VanDerWaalsContact O-CA 3.23Å; A9-F17 WeakPolarHBondContact O-CA 3.4Å; A9-F17 WeakPolarHBondContact O-CB 3.25Å; A9-A18 PolarHBondContact N-O 2.85Å; A9-A18 PolarHBondContact O-N 2.74Å; A9-V50 HydrophobicContact CB-CG2 3.88Å; A9-V50 WeakPolarHBondContact CB-O 3.44Å; A9-W52 PolarHBondContact O-NE1 2.74Å; A9-W52 VanDerWaalsContact O-NE1 3.09Å
10W98Very high88.8Confident18 Ų1839.3 Ų39.37%0.06821%0.213CC..EExtended strand (participates in β ladder)trans-64.6142160.9-75.9116.1000111.6F8 F17 W52 H308 P309 T318 H328F8-W10 AromaticContact CE1-CD1 3.48Å; F8-W10 VanDerWaalsContact CE1-CD1 3.48Å; F8-W10 HydrophobicContact CE1-CD2 4.27Å; F8-W10 AromaticContact CE1-CG 3.91Å; F8-W10 HydrophobicContact CE1-CG 3.91Å; F8-W10 AromaticContact CE1-NE1 3.55Å; F8-W10 AromaticContact CZ-CD1 3.99Å; F8-W10 HydrophobicContact CZ-CD2 4.07Å; F8-W10 AromaticContact CZ-CE2 3.71Å; F8-W10 HydrophobicContact CZ-CG 4.2Å; F8-W10 HydrophobicContact CZ-CZ2 4.19Å; F8-W10 AromaticContact CZ-NE1 3.68Å; W10-F17 HydrophobicContact CD2-CB 4.04Å; W10-F17 HydrophobicContact CE3-CB 3.67Å; W10-F17 AromaticContact CE3-CD1 3.89Å; W10-F17 HydrophobicContact CE3-CD1 3.89Å; W10-F17 HydrophobicContact CE3-CG 4.18Å; W10-F17 AromaticContact CH2-CD1 3.55Å; W10-F17 HydrophobicContact CH2-CD1 3.55Å; W10-F17 AromaticContact CH2-CE1 3.92Å; W10-F17 HydrophobicContact CH2-CE1 3.92Å; W10-F17 HydrophobicContact CH2-CG 4.32Å; W10-F17 HydrophobicContact CZ2-CD1 4.37Å; W10-F17 HydrophobicContact CZ3-CB 4.02Å; W10-F17 AromaticContact CZ3-CD1 3.29Å; W10-F17 HydrophobicContact CZ3-CD1 3.29Å; W10-F17 HydrophobicContact CZ3-CE1 4.07Å; W10-F17 HydrophobicContact CZ3-CG 4.02Å; W10-W52 VanDerWaalsContact C-CD1 3.49Å; W10-H308 AromaticContact CD2-CD2 3.62Å; W10-H308 AromaticContact CE2-CD2 3.7Å; W10-H308 AromaticContact CE3-CD2 3.47Å; W10-H308 VanDerWaalsContact CE3-CD2 3.47Å; W10-H308 AromaticContact CE3-NE2 3.9Å; W10-H308 AromaticContact CH2-CD2 3.64Å; W10-H308 AromaticContact CZ2-CD2 3.73Å; W10-H308 AromaticContact CZ3-CD2 3.48Å; W10-H308 VanDerWaalsContact CZ3-CD2 3.48Å; W10-H308 WeakPolarHBondContact CZ3-CD2 3.35Å; W10-H308 AromaticContact CZ3-NE2 3.82Å; W10-P309 HydrophobicContact CB-CG 4.21Å; W10-T318 VanDerWaalsContact CZ2-OG1 3.26Å; W10-T318 WeakPolarHBondContact CZ2-OG1 3.46Å; W10-T318 PolarHBondContact NE1-OG1 3.41Å; W10-H328 AromaticContact CH2-CE1 3.97Å; W10-H328 AromaticContact CZ2-CE1 3.5Å; W10-H328 AromaticContact CZ2-ND1 3.69Å
11H97.1Very high89.1Confident2 Ų238.3 Ų38.31%0.00921%0.207CC..  trans-72.6131.5167-176.9-78.3000109.4H13 T14 K16 W52 C56 A57 P309H11-H13 PolarHBondContact ND1-N 2.98Å; H11-H13 VanDerWaalsContact ND1-N 3.19Å; H11-H13 PolarHBondContact O-N 3.3Å; H11-H13 VanDerWaalsContact O-N 3.08Å; H11-T14 VanDerWaalsContact CG-OG1 3.31Å; H11-T14 PolarHBondContact ND1-N 2.87Å; H11-T14 PolarHBondContact ND1-OG1 3.46Å; H11-T14 VanDerWaalsContact ND1-OG1 3.08Å; H11-K16 HydrophobicContact CB-CB 4.04Å; H11-K16 WeakPolarHBondContact CB-O 3.43Å; H11-K16 PolarHBondContact N-O 3.47Å; H11-W52 VanDerWaalsContact CA-CD1 3.49Å; H11-W52 HydrophobicContact CB-CD2 4.16Å; H11-W52 HydrophobicContact CB-CG 3.98Å; H11-W52 AromaticContact CD2-CD2 3.64Å; H11-W52 AromaticContact CD2-CE3 3.6Å; H11-W52 AromaticContact CD2-CG 3.85Å; H11-C56 PolarHBondContact NE2-O 3.26Å; H11-A57 WeakPolarHBondContact NE2-CA 3.22Å; H11-P309 VanDerWaalsContact O-CG 3.22Å; H11-P309 WeakPolarHBondContact O-CG 3.45Å
12P95.1Very high91.6Very high37 Ų3738.6 Ų38.624%0.2420%0.202CC..THydrogen-bonded Turntrans-65.4-20.8-168.221.6-32.3000115P54 P309P12-P54 HydrophobicContact CG-CB 4.3Å; P12-P54 HydrophobicContact CG-CG 4.39Å; P12-P309 WeakPolarHBondContact O-CB 3.22Å
13H92.1Very high93.7Very high96 Ų9634.3 Ų34.344%0.44418%0.179SC..THydrogen-bonded Turntrans-124.1-0.9-174.3-52.8-60.8000115.1H11 L55H11-H13 PolarHBondContact ND1-N 2.98Å; H11-H13 VanDerWaalsContact ND1-N 3.19Å; H11-H13 PolarHBondContact O-N 3.3Å; H11-H13 VanDerWaalsContact O-N 3.08Å; H13-L55 PolarHBondContact CD2-N 3.26Å; H13-L55 PolarHBondContact NE2-N 2.81Å
14T91.9Very high95.4Very high59 Ų5934.1 Ų34.136%0.36218%0.177SC..SBendtrans-144.2161.4-176.568.20000109.9H11 K16H11-T14 VanDerWaalsContact CG-OG1 3.31Å; H11-T14 PolarHBondContact ND1-N 2.87Å; H11-T14 PolarHBondContact ND1-OG1 3.46Å; H11-T14 VanDerWaalsContact ND1-OG1 3.08Å; T14-K16 PolarHBondContact O-N 2.77Å; T14-K16 WeakPolarHBondContact OG1-CB 3.5Å
15D92.2Very high95.8Very high68 Ų6831.6 Ų31.636%0.36416%0.161SC..SBendtrans-76.724.8179.7-46.4-40.3000113P31 H308D15-P31 HydrophobicContact CB-CG 3.75Å; D15-P31 WeakPolarHBondContact O-CD 3.24Å; D15-H308 IonicContact OD1-CE1 3.58Å; D15-H308 PolarHBondContact OD1-CE1 2.92Å; D15-H308 IonicContact OD1-NE2 2.78Å; D15-H308 PolarHBondContact OD1-NE2 2.81Å
16K93.6Very high95.9Very high7 Ų731 Ų313%0.0316%0.158CC..  trans-91.3146177-179.2173.763.4173.20109.6H11 T14 I28 Y29 N30 W52 A57H11-K16 HydrophobicContact CB-CB 4.04Å; H11-K16 WeakPolarHBondContact CB-O 3.43Å; H11-K16 PolarHBondContact N-O 3.47Å; T14-K16 PolarHBondContact O-N 2.77Å; T14-K16 WeakPolarHBondContact OG1-CB 3.5Å; K16-I28 HydrophobicContact CD-CG2 3.71Å; K16-I28 HydrophobicContact CG-CG2 3.85Å; K16-Y29 CarbonylContact C-O 3.49Å; K16-Y29 VanDerWaalsContact CA-O 3.28Å; K16-Y29 WeakPolarHBondContact CA-O 3.36Å; K16-Y29 WeakPolarHBondContact CG-O 3.29Å; K16-N30 HydrophobicContact CB-CB 4.42Å; K16-N30 HydrophobicContact CG-CB 4.24Å; K16-W52 HydrophobicContact CD-CH2 3.81Å; K16-W52 HydrophobicContact CD-CZ2 4.01Å; K16-W52 HydrophobicContact CG-CH2 4.32Å; K16-W52 HydrophobicContact CG-CZ2 3.99Å; K16-A57 PolarHBondContact NZ-O 2.88Å
17F96.8Very high96Very high26 Ų2629.7 Ų29.711%0.11415%0.154CC..EExtended strand (participates in β ladder)trans-143.6157.3173.459.5-85.7000112.6F8 A9 W10 V19 Y29F8-F17 HydrophobicContact CD2-CD2 4.23Å; F8-F17 HydrophobicContact CE2-CB 4.13Å; F8-F17 AromaticContact CE2-CD2 3.34Å; F8-F17 HydrophobicContact CE2-CD2 3.34Å; F8-F17 AromaticContact CE2-CE2 3.89Å; F8-F17 HydrophobicContact CE2-CE2 3.89Å; F8-F17 AromaticContact CE2-CG 3.92Å; F8-F17 HydrophobicContact CE2-CG 3.92Å; F8-F17 HydrophobicContact CZ-CB 3.86Å; F8-F17 AromaticContact CZ-CD2 3.88Å; F8-F17 HydrophobicContact CZ-CD2 3.88Å; F8-F17 AromaticContact CZ-CG 3.96Å; F8-F17 HydrophobicContact CZ-CG 3.96Å; A9-F17 CarbonylContact O-C 3.49Å; A9-F17 VanDerWaalsContact O-CA 3.23Å; A9-F17 WeakPolarHBondContact O-CA 3.4Å; A9-F17 WeakPolarHBondContact O-CB 3.25Å; W10-F17 HydrophobicContact CD2-CB 4.04Å; W10-F17 HydrophobicContact CE3-CB 3.67Å; W10-F17 AromaticContact CE3-CD1 3.89Å; W10-F17 HydrophobicContact CE3-CD1 3.89Å; W10-F17 HydrophobicContact CE3-CG 4.18Å; W10-F17 AromaticContact CH2-CD1 3.55Å; W10-F17 HydrophobicContact CH2-CD1 3.55Å; W10-F17 AromaticContact CH2-CE1 3.92Å; W10-F17 HydrophobicContact CH2-CE1 3.92Å; W10-F17 HydrophobicContact CH2-CG 4.32Å; W10-F17 HydrophobicContact CZ2-CD1 4.37Å; W10-F17 HydrophobicContact CZ3-CB 4.02Å; W10-F17 AromaticContact CZ3-CD1 3.29Å; W10-F17 HydrophobicContact CZ3-CD1 3.29Å; W10-F17 HydrophobicContact CZ3-CE1 4.07Å; W10-F17 HydrophobicContact CZ3-CG 4.02Å; F17-V19 HydrophobicContact CD2-CG2 3.62Å; F17-V19 HydrophobicContact CE2-CG2 3.64Å; F17-Y29 HydrophobicContact CD2-CD2 4.06Å; F17-Y29 HydrophobicContact CD2-CG 4.36Å; F17-Y29 HydrophobicContact CE1-CG 4.43Å; F17-Y29 AromaticContact CE2-CD2 3.52Å; F17-Y29 HydrophobicContact CE2-CD2 3.52Å; F17-Y29 HydrophobicContact CE2-CE2 4.37Å; F17-Y29 AromaticContact CE2-CG 3.65Å; F17-Y29 HydrophobicContact CE2-CG 3.65Å; F17-Y29 HydrophobicContact CZ-CD1 4.38Å; F17-Y29 HydrophobicContact CZ-CD2 4.09Å; F17-Y29 AromaticContact CZ-CG 3.7Å; F17-Y29 HydrophobicContact CZ-CG 3.7Å; F17-Y29 PolarHBondContact N-O 2.79Å; F17-Y29 PolarHBondContact O-N 3.09Å
18A98.1Very high96Very high0 Ų029.6 Ų29.60%015%0.153CC..EExtended strand (participates in β ladder)trans-108.9138175.600000109.8F8 A9 I26 K27 I28 V50 W52 L60F8-A18 WeakPolarHBondContact CA-O 3.44Å; A9-A18 PolarHBondContact N-O 2.85Å; A9-A18 PolarHBondContact O-N 2.74Å; A18-I26 HydrophobicContact CB-CG2 4.12Å; A18-K27 WeakPolarHBondContact CA-O 3.09Å; A18-I28 HydrophobicContact CB-CD1 3.64Å; A18-V50 HydrophobicContact CB-CG2 4.43Å; A18-W52 HydrophobicContact CB-CZ2 4Å; A18-L60 HydrophobicContact CB-CD1 4.04Å; A18-L60 HydrophobicContact CB-CD2 3.94Å
19V98.1Very high95.8Very high3 Ų331.3 Ų31.32%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-124.9112.4175.8-173.60000108.2V5 F8 F17 L21 I26 K27 Y29 I326V5-V19 HydrophobicContact CB-CG1 4.42Å; V5-V19 HydrophobicContact CG1-CG1 3.83Å; V5-V19 HydrophobicContact CG2-CG1 3.82Å; F8-V19 HydrophobicContact CD2-CG2 4.05Å; F8-V19 HydrophobicContact CE2-CG2 4.3Å; F17-V19 HydrophobicContact CD2-CG2 3.62Å; F17-V19 HydrophobicContact CE2-CG2 3.64Å; V19-L21 HydrophobicContact CG1-CD2 3.8Å; V19-I26 CarbonylContact O-C 3.42Å; V19-I26 WeakPolarHBondContact O-CA 3.49Å; V19-K27 PolarHBondContact N-O 3.14Å; V19-K27 PolarHBondContact O-N 2.94Å; V19-Y29 HydrophobicContact CB-CD2 4.47Å; V19-Y29 HydrophobicContact CB-CE2 4.1Å; V19-Y29 HydrophobicContact CG2-CD2 3.77Å; V19-Y29 HydrophobicContact CG2-CE2 3.71Å; V19-I326 HydrophobicContact CG1-CD1 4.03Å; V19-I326 HydrophobicContact CG2-CD1 3.78Å
20A97.9Very high95.5Very high0 Ų033.2 Ų33.20%017%0.169CC..EExtended strand (participates in β ladder)trans-88.3128.1171.500000109.7R6 A7 S25 I26 V47 V50R6-A20 PolarHBondContact N-O 3.4Å; A7-A20 HydrophobicContact CB-CB 3.97Å; A7-A20 PolarHBondContact N-O 2.8Å; A7-A20 PolarHBondContact O-N 2.62Å; A20-S25 WeakPolarHBondContact CA-O 3.3Å; A20-I26 HydrophobicContact CB-CG1 3.9Å; A20-V47 HydrophobicContact CB-CB 4.44Å; A20-V47 HydrophobicContact CB-CG1 3.72Å; A20-V50 HydrophobicContact CB-CG1 4.04Å
21L96.7Very high95Very high18 Ų1836.9 Ų36.99%0.09420%0.195CC..EExtended strand (participates in β ladder)trans-102.5166.4-175.4-60.5-178.2000111.5C3 V5 R6 V19 D23 D24 S25 K27C3-L21 HydrophobicContact CB-CB 4.24Å; C3-L21 HydrophobicContact CB-CD1 4.27Å; C3-L21 HydrophobicContact CB-CD2 4.41Å; V5-L21 HydrophobicContact CG2-CD2 4.44Å; R6-L21 WeakPolarHBondContact CD-O 3.12Å; V19-L21 HydrophobicContact CG1-CD2 3.8Å; L21-D23 WeakPolarHBondContact CB-OD1 3.34Å; L21-D23 PolarHBondContact O-N 2.59Å; L21-D24 PolarHBondContact O-N 2.92Å; L21-S25 PolarHBondContact N-O 3.3Å; L21-K27 HydrophobicContact CD1-CD 4.22Å; L21-K27 HydrophobicContact CD1-CG 4.4Å
22L93.5Very high94.5Very high90 Ų9045.4 Ų45.447%0.47123%0.232SC..THydrogen-bonded Turntrans-59.2-29.5-178.4-163.475.1000113.4C3 V4 R6 D24C3-L22 PolarHBondContact SG-N 2.92Å; C3-L22 VanDerWaalsContact SG-N 3.37Å; V4-L22 PolarHBondContact O-N 2.85Å; R6-L22 HydrophobicContact CG-CD1 4.11Å; R6-L22 PolarHBondContact NE-O 3.07Å; R6-L22 VanDerWaalsContact NE-O 3.17Å; R6-L22 PolarHBondContact NH2-O 3.18Å; L22-D24 PolarHBondContact O-N 2.82Å
23D94.6Very high94.2Very high78 Ų7845.7 Ų45.742%0.41724%0.235SC..THydrogen-bonded Turntrans-78.712.5177.384-36.2000114.1L21 S25 K40L21-D23 WeakPolarHBondContact CB-OD1 3.34Å; L21-D23 PolarHBondContact O-N 2.59Å; D23-S25 PolarHBondContact O-N 3.47Å; D23-S25 VanDerWaalsContact O-N 3.15Å; D23-S25 WeakPolarHBondContact OD1-CB 3.33Å; D23-S25 PolarHBondContact OD1-N 3.18Å; D23-S25 PolarHBondContact OD1-OG 3.33Å; D23-S25 PolarHBondContact OD2-OG 3.16Å; D23-K40 IonicContact OD2-NZ 3.53Å; D23-K40 PolarHBondContact OD2-NZ 2.9Å
24D96.3Very high94Very high22 Ų2246.4 Ų46.412%0.11826%0.257CS..SBendtrans62.98.1-174.9-61.4-42.9000114.7L21 L22 Q44 R45 N46 V47L21-D24 PolarHBondContact O-N 2.92Å; L22-D24 PolarHBondContact O-N 2.82Å; D24-Q44 VanDerWaalsContact CB-O 3.29Å; D24-Q44 WeakPolarHBondContact CB-O 3.09Å; D24-Q44 PolarHBondContact O-NE2 3.5Å; D24-R45 WeakPolarHBondContact OD2-CA 3.37Å; D24-N46 WeakPolarHBondContact OD1-CA 3.19Å; D24-N46 PolarHBondContact OD1-N 2.79Å; D24-N46 PolarHBondContact OD2-N 3.23Å; D24-V47 HydrophobicContact CB-CG2 4.07Å; D24-V47 PolarHBondContact OD1-N 3.47Å
25S96.5Very high93.9Very high4 Ų445.5 Ų45.53%0.02825%0.249CC..  trans-76.6147.2170.876.30000111.2A20 L21 D23A20-S25 WeakPolarHBondContact CA-O 3.3Å; L21-S25 PolarHBondContact N-O 3.3Å; D23-S25 PolarHBondContact O-N 3.47Å; D23-S25 VanDerWaalsContact O-N 3.15Å; D23-S25 WeakPolarHBondContact OD1-CB 3.33Å; D23-S25 PolarHBondContact OD1-N 3.18Å; D23-S25 PolarHBondContact OD1-OG 3.33Å; D23-S25 PolarHBondContact OD2-OG 3.16Å
26I97.9Very high94Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-119.3121174.2-60.2166.3000108.6A18 V19 A20 I28 T38 L39 V47 V50 L60 V62A18-I26 HydrophobicContact CB-CG2 4.12Å; V19-I26 CarbonylContact O-C 3.42Å; V19-I26 WeakPolarHBondContact O-CA 3.49Å; A20-I26 HydrophobicContact CB-CG1 3.9Å; I26-I28 HydrophobicContact CG2-CD1 3.89Å; I26-T38 CarbonylContact O-C 3.52Å; I26-T38 WeakPolarHBondContact O-CA 3.25Å; I26-L39 HydrophobicContact CB-CB 4.19Å; I26-L39 HydrophobicContact CB-CD1 4.39Å; I26-L39 HydrophobicContact CB-CG 4.45Å; I26-L39 HydrophobicContact CG2-CD1 4.25Å; I26-L39 PolarHBondContact N-O 2.79Å; I26-L39 PolarHBondContact O-N 2.91Å; I26-V47 HydrophobicContact CD1-CG1 4.34Å; I26-V50 HydrophobicContact CD1-CG1 3.77Å; I26-V50 HydrophobicContact CG1-CG1 4.39Å; I26-L60 HydrophobicContact CG2-CD2 4.09Å; I26-V62 HydrophobicContact CD1-CB 4.15Å; I26-V62 HydrophobicContact CD1-CG1 3.51Å; I26-V62 HydrophobicContact CD1-CG2 3.46Å; I26-V62 VanDerWaalsContact CD1-CG2 3.46Å
27K96.3Very high94Very high60 Ų6045 Ų4526%0.26125%0.25SS..EExtended strand (participates in β ladder)trans-97.5136.9174.1-70-171.1176.5-170.40110.3A18 V19 L21 Y29 T36 P37A18-K27 WeakPolarHBondContact CA-O 3.09Å; V19-K27 PolarHBondContact N-O 3.14Å; V19-K27 PolarHBondContact O-N 2.94Å; L21-K27 HydrophobicContact CD1-CD 4.22Å; L21-K27 HydrophobicContact CD1-CG 4.4Å; K27-Y29 HydrophobicContact CB-CD2 4.21Å; K27-Y29 HydrophobicContact CB-CE2 3.51Å; K27-Y29 HydrophobicContact CD-CE2 4.3Å; K27-Y29 WeakPolarHBondContact CD-OH 3.17Å; K27-T36 HydrophobicContact CB-CG2 3.99Å; K27-T36 HydrophobicContact CD-CG2 4.31Å; K27-T36 HydrophobicContact CG-CG2 4.39Å; K27-P37 WeakPolarHBondContact CA-O 3.42Å
28I96.6Very high94Very high5 Ų545.4 Ų45.43%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-108.9115.2177.8-51.4-57.9000108.8K16 A18 I26 T36 P37 L39 W52 L60 V73K16-I28 HydrophobicContact CD-CG2 3.71Å; K16-I28 HydrophobicContact CG-CG2 3.85Å; A18-I28 HydrophobicContact CB-CD1 3.64Å; I26-I28 HydrophobicContact CG2-CD1 3.89Å; I28-T36 WeakPolarHBondContact O-CG2 3.45Å; I28-P37 HydrophobicContact CB-CB 4.36Å; I28-P37 HydrophobicContact CB-CG 4.47Å; I28-P37 PolarHBondContact N-O 3.31Å; I28-P37 WeakPolarHBondContact O-CD 3.2Å; I28-L39 HydrophobicContact CD1-CD1 3.98Å; I28-L39 HydrophobicContact CD1-CG 4.45Å; I28-L39 HydrophobicContact CG1-CD1 4.14Å; I28-L39 HydrophobicContact CG1-CD2 4.47Å; I28-L39 HydrophobicContact CG1-CG 4.17Å; I28-W52 HydrophobicContact CD1-CH2 3.98Å; I28-W52 HydrophobicContact CD1-CZ2 3.83Å; I28-W52 HydrophobicContact CG2-CH2 3.82Å; I28-W52 HydrophobicContact CG2-CZ2 3.89Å; I28-L60 HydrophobicContact CD1-CD2 3.85Å; I28-V73 HydrophobicContact CG1-CG1 4.39Å
29Y94.5Very high93.9Very high59 Ų5945.4 Ų45.423%0.23126%0.255CS..EExtended strand (participates in β ladder)trans-102.8132179.8-67.6-93.4000109.6K16 F17 V19 K27 T36K16-Y29 CarbonylContact C-O 3.49Å; K16-Y29 VanDerWaalsContact CA-O 3.28Å; K16-Y29 WeakPolarHBondContact CA-O 3.36Å; K16-Y29 WeakPolarHBondContact CG-O 3.29Å; F17-Y29 HydrophobicContact CD2-CD2 4.06Å; F17-Y29 HydrophobicContact CD2-CG 4.36Å; F17-Y29 HydrophobicContact CE1-CG 4.43Å; F17-Y29 AromaticContact CE2-CD2 3.52Å; F17-Y29 HydrophobicContact CE2-CD2 3.52Å; F17-Y29 HydrophobicContact CE2-CE2 4.37Å; F17-Y29 AromaticContact CE2-CG 3.65Å; F17-Y29 HydrophobicContact CE2-CG 3.65Å; F17-Y29 HydrophobicContact CZ-CD1 4.38Å; F17-Y29 HydrophobicContact CZ-CD2 4.09Å; F17-Y29 AromaticContact CZ-CG 3.7Å; F17-Y29 HydrophobicContact CZ-CG 3.7Å; F17-Y29 PolarHBondContact N-O 2.79Å; F17-Y29 PolarHBondContact O-N 3.09Å; V19-Y29 HydrophobicContact CB-CD2 4.47Å; V19-Y29 HydrophobicContact CB-CE2 4.1Å; V19-Y29 HydrophobicContact CG2-CD2 3.77Å; V19-Y29 HydrophobicContact CG2-CE2 3.71Å; K27-Y29 HydrophobicContact CB-CD2 4.21Å; K27-Y29 HydrophobicContact CB-CE2 3.51Å; K27-Y29 HydrophobicContact CD-CE2 4.3Å; K27-Y29 WeakPolarHBondContact CD-OH 3.17Å; Y29-T36 HydrophobicContact CD1-CG2 4.09Å; Y29-T36 HydrophobicContact CD2-CG2 4.45Å; Y29-T36 HydrophobicContact CE1-CG2 3.93Å; Y29-T36 HydrophobicContact CE2-CG2 4.3Å; Y29-T36 HydrophobicContact CG-CG2 4.36Å
30N91.6Very high93.9Very high46 Ų4650.8 Ų50.825%0.24628%0.278CS..  trans-139120.3174.9176.3-3.4000107.7K16 K32 S33K16-N30 HydrophobicContact CB-CB 4.42Å; K16-N30 HydrophobicContact CG-CB 4.24Å; N30-K32 PolarHBondContact O-N 2.78Å; N30-K32 VanDerWaalsContact O-N 3.07Å; N30-K32 PolarHBondContact OD1-N 3.09Å; N30-S33 PolarHBondContact O-N 3.49Å; N30-S33 VanDerWaalsContact O-O 3.1Å
31P87Confident93.9Very high95 Ų9552.1 Ų52.162%0.61728%0.284SS*.THydrogen-bonded Turntrans-62.1-20.3-17725-34.5000113.1D15 S33D15-P31 HydrophobicContact CB-CG 3.75Å; D15-P31 WeakPolarHBondContact O-CD 3.24Å; P31-S33 VanDerWaalsContact C-N 3.34Å
32K88.2Confident93.9Very high181 Ų18160.6 Ų60.679%0.78731%0.314SS*.THydrogen-bonded Turntrans-89.11.2178-57.6-179.3-177.5177.40113.3N30N30-K32 PolarHBondContact O-N 2.78Å; N30-K32 VanDerWaalsContact O-N 3.07Å; N30-K32 PolarHBondContact OD1-N 3.09Å
33S88.1Confident94.1Very high43 Ų4359.1 Ų59.130%0.30131%0.307SS..  trans-123.9131.5-177.9177.20000110.8N30 P31 I35N30-S33 PolarHBondContact O-N 3.49Å; N30-S33 VanDerWaalsContact O-O 3.1Å; P31-S33 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.46Å; S33-I35 PolarHBondContact OG-N 2.88Å; S33-I35 PolarHBondContact OG-O 2.75Å
34A86.9Confident94.3Very high110 Ų11055.6 Ų55.691%0.90929%0.288SS*.SBendtrans-74.6-14.1169.900000112.7
35I90.6Very high94.4Very high40 Ų4062.1 Ų62.121%0.20531%0.311CS..  trans-99133.2-177.9-65.5161.6000108.9S33 P37 L78 T80S33-I35 PolarHBondContact O-N 3.46Å; S33-I35 PolarHBondContact OG-N 2.88Å; S33-I35 PolarHBondContact OG-O 2.75Å; I35-P37 HydrophobicContact CG2-CG 4.37Å; I35-P37 WeakPolarHBondContact O-CD 3.25Å; I35-L78 HydrophobicContact CD1-CB 3.85Å; I35-L78 HydrophobicContact CD1-CD2 3.83Å; I35-L78 HydrophobicContact CD1-CG 4.46Å; I35-L78 WeakPolarHBondContact CD1-O 3.05Å; I35-T80 HydrophobicContact CG2-CG2 3.7Å
36T93.5Very high94.4Very high52 Ų5265.1 Ų65.132%0.31933%0.327SS..  trans-10994171.7-56.70000109K27 I28 Y29 T38K27-T36 HydrophobicContact CB-CG2 3.99Å; K27-T36 HydrophobicContact CD-CG2 4.31Å; K27-T36 HydrophobicContact CG-CG2 4.39Å; I28-T36 WeakPolarHBondContact O-CG2 3.45Å; Y29-T36 HydrophobicContact CD1-CG2 4.09Å; Y29-T36 HydrophobicContact CD2-CG2 4.45Å; Y29-T36 HydrophobicContact CE1-CG2 3.93Å; Y29-T36 HydrophobicContact CE2-CG2 4.3Å; Y29-T36 HydrophobicContact CG-CG2 4.36Å; T36-T38 PolarHBondContact O-N 3.13Å
37P94.7Very high94.4Very high14 Ų1465.2 Ų65.29%0.09133%0.327CS..  trans-57.3138176.5-25.134.3000111.6K27 I28 I35 T80 P82K27-P37 WeakPolarHBondContact CA-O 3.42Å; I28-P37 HydrophobicContact CB-CB 4.36Å; I28-P37 HydrophobicContact CB-CG 4.47Å; I28-P37 PolarHBondContact N-O 3.31Å; I28-P37 WeakPolarHBondContact O-CD 3.2Å; I35-P37 HydrophobicContact CG2-CG 4.37Å; I35-P37 WeakPolarHBondContact O-CD 3.25Å; P37-T80 CarbonylContact C-O 3.58Å; P37-T80 WeakPolarHBondContact CA-O 3.26Å; P37-P82 HydrophobicContact CB-CG 4.29Å
38T95.9Very high94.5Very high34 Ų3464.1 Ų64.121%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-113.3114.1173.1-56.80000109.5I26 T36 K40 T80I26-T38 CarbonylContact O-C 3.52Å; I26-T38 WeakPolarHBondContact O-CA 3.25Å; T36-T38 PolarHBondContact O-N 3.13Å; T38-K40 HydrophobicContact CG2-CG 4.36Å; T38-T80 PolarHBondContact N-O 2.75Å
39L97.3Very high94.5Very high0 Ų064.9 Ų64.90%034%0.336CS..EExtended strand (participates in β ladder)trans-87124.8178.6-44-178.9000109.5I26 I28 Q44 L60 W71 V73 P82I26-L39 HydrophobicContact CB-CB 4.19Å; I26-L39 HydrophobicContact CB-CD1 4.39Å; I26-L39 HydrophobicContact CB-CG 4.45Å; I26-L39 HydrophobicContact CG2-CD1 4.25Å; I26-L39 PolarHBondContact N-O 2.79Å; I26-L39 PolarHBondContact O-N 2.91Å; I28-L39 HydrophobicContact CD1-CD1 3.98Å; I28-L39 HydrophobicContact CD1-CG 4.45Å; I28-L39 HydrophobicContact CG1-CD1 4.14Å; I28-L39 HydrophobicContact CG1-CD2 4.47Å; I28-L39 HydrophobicContact CG1-CG 4.17Å; L39-Q44 PolarHBondContact O-NE2 2.89Å; L39-Q44 VanDerWaalsContact O-NE2 3.09Å; L39-L60 HydrophobicContact CD1-CD2 3.85Å; L39-W71 HydrophobicContact CB-CD2 4.22Å; L39-W71 HydrophobicContact CB-CH2 4.31Å; L39-W71 HydrophobicContact CB-CZ2 3.9Å; L39-W71 HydrophobicContact CD1-CB 4.17Å; L39-W71 HydrophobicContact CD1-CD2 4.05Å; L39-W71 HydrophobicContact CD1-CG 3.85Å; L39-W71 HydrophobicContact CD2-CD2 4.39Å; L39-W71 HydrophobicContact CD2-CE3 4.18Å; L39-W71 HydrophobicContact CD2-CZ3 4.44Å; L39-W71 HydrophobicContact CG-CD2 4.46Å; L39-V73 HydrophobicContact CD1-CG2 3.88Å; L39-V73 HydrophobicContact CD2-CG2 3.94Å; L39-P82 HydrophobicContact CD2-CB 4.11Å; L39-P82 HydrophobicContact CD2-CG 3.59Å
40K96.5Very high94.7Very high116 Ų11662.6 Ų62.650%0.50433%0.329SS..  trans-138.5135.2172.3-69.5-165.4172.7-158.60109.5D23 T38 W71D23-K40 IonicContact OD2-NZ 3.53Å; D23-K40 PolarHBondContact OD2-NZ 2.9Å; T38-K40 HydrophobicContact CG2-CG 4.36Å; K40-W71 WeakPolarHBondContact O-CH2 3.47Å
41H97.9Very high95Very high27 Ų2763.3 Ų63.313%0.12533%0.331CS..  trans-139.2148.6173.8-175.4-97.6000109.2L43 Q44 L69 W71H41-L43 WeakPolarHBondContact ND1-CB 3.33Å; H41-L43 PolarHBondContact ND1-N 3.23Å; H41-L43 VanDerWaalsContact ND1-N 3.16Å; H41-L43 PolarHBondContact O-N 3.13Å; H41-L43 VanDerWaalsContact O-N 3.12Å; H41-Q44 HydrophobicContact CB-CB 4.07Å; H41-Q44 VanDerWaalsContact O-CB 3.31Å; H41-Q44 WeakPolarHBondContact O-CB 3.48Å; H41-Q44 PolarHBondContact O-N 2.91Å; H41-L69 HydrophobicContact CB-CD1 3.72Å; H41-W71 HydrophobicContact CB-CH2 4.37Å; H41-W71 HydrophobicContact CB-CZ2 3.75Å
42R97.6Very high95.6Very high196 Ų19659 Ų5974%0.7430%0.302SS*.THydrogen-bonded Turntrans-58.9-28.2-177.567.4-177.4168.799-0.2113.8
43L98.1Very high96Very high59 Ų5952.8 Ų52.831%0.30928%0.275SS..THydrogen-bonded Turntrans-93-5.4177.7-54179.5000113.4H41 R45 V89H41-L43 WeakPolarHBondContact ND1-CB 3.33Å; H41-L43 PolarHBondContact ND1-N 3.23Å; H41-L43 VanDerWaalsContact ND1-N 3.16Å; H41-L43 PolarHBondContact O-N 3.13Å; H41-L43 VanDerWaalsContact O-N 3.12Å; L43-R45 PolarHBondContact O-N 2.95Å; L43-V89 HydrophobicContact CD1-CG1 3.87Å; L43-V89 HydrophobicContact CD1-CG2 4.13Å
44Q98.1Very high96.4Very high5 Ų551.7 Ų51.72%0.02327%0.267CS..  trans-76.780.1176.7-165.2167-67.500108.9D24 L39 H41 V47 V62 L69D24-Q44 VanDerWaalsContact CB-O 3.29Å; D24-Q44 WeakPolarHBondContact CB-O 3.09Å; D24-Q44 PolarHBondContact O-NE2 3.5Å; L39-Q44 PolarHBondContact O-NE2 2.89Å; L39-Q44 VanDerWaalsContact O-NE2 3.09Å; H41-Q44 HydrophobicContact CB-CB 4.07Å; H41-Q44 VanDerWaalsContact O-CB 3.31Å; H41-Q44 WeakPolarHBondContact O-CB 3.48Å; H41-Q44 PolarHBondContact O-N 2.91Å; Q44-V47 HydrophobicContact CG-CG2 3.45Å; Q44-V47 VanDerWaalsContact CG-CG2 3.45Å; Q44-V62 HydrophobicContact CG-CG1 4.37Å; Q44-L69 HydrophobicContact CB-CD1 3.53Å; Q44-L69 HydrophobicContact CG-CD1 4Å
45R97.9Very high96.8Very high158 Ų15852.7 Ų52.760%0.59626%0.256SS*.  trans-122.9138.1-177.1-64.8-60.2-170.1170.84.4109.8D24 L43 Q65D24-R45 WeakPolarHBondContact OD2-CA 3.37Å; L43-R45 PolarHBondContact O-N 2.95Å; R45-Q65 HydrophobicContact CB-CB 4.4Å; R45-Q65 WeakPolarHBondContact O-CB 3.39Å; R45-Q65 PolarHBondContact O-N 2.74Å
46N97.1Very high96.9Very high68 Ų6852.1 Ų52.136%0.36426%0.255SS..SBendtrans48.859.8-177.8-165.429.6000111.5R6 D24 A48 Q65R6-N46 PolarHBondContact NH1-OD1 3.49Å; D24-N46 WeakPolarHBondContact OD1-CA 3.19Å; D24-N46 PolarHBondContact OD1-N 2.79Å; D24-N46 PolarHBondContact OD2-N 3.23Å; N46-A48 PolarHBondContact O-N 3.47Å; N46-A48 VanDerWaalsContact O-N 3.1Å; N46-Q65 HydrophobicContact CB-CB 4.2Å; N46-Q65 PolarHBondContact ND2-OE1 2.84Å
47V98.1Very high96.8Very high1 Ų152.1 Ų52.11%0.00626%0.26CS..  trans-61.2115.8-179.31770000109.2R6 A20 D24 I26 Q44 V50 V62 A63R6-V47 WeakPolarHBondContact CD-O 3.48Å; A20-V47 HydrophobicContact CB-CB 4.44Å; A20-V47 HydrophobicContact CB-CG1 3.72Å; D24-V47 HydrophobicContact CB-CG2 4.07Å; D24-V47 PolarHBondContact OD1-N 3.47Å; I26-V47 HydrophobicContact CD1-CG1 4.34Å; Q44-V47 HydrophobicContact CG-CG2 3.45Å; Q44-V47 VanDerWaalsContact CG-CG2 3.45Å; V47-V50 HydrophobicContact CG1-CG1 3.91Å; V47-V62 HydrophobicContact CG1-CG1 3.76Å; V47-V62 HydrophobicContact CG2-CG1 4.07Å; V47-A63 WeakPolarHBondContact CA-O 3.38Å
48A97.6Very high96.7Very high38 Ų3852.4 Ų52.431%0.31426%0.263SS..  trans-99.3-35-174.900000112.7N46 A63N46-A48 PolarHBondContact O-N 3.47Å; N46-A48 VanDerWaalsContact O-N 3.1Å; A48-A63 PolarHBondContact N-O 2.85Å
49A98.1Very high96.8Very high20 Ų2051.8 Ų51.817%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-152.3151.6-178.800000111A63 I101A49-A63 HydrophobicContact CB-CB 4.04Å; A49-A63 PolarHBondContact O-N 3.47Å; A49-I101 HydrophobicContact CB-CD1 4.47Å; A49-I101 HydrophobicContact CB-CG1 3.92Å
50V98.6Very high96.9Very high12 Ų1251.8 Ų51.87%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-134.8141.8174.3-64.50000109.1A7 A9 A18 A20 I26 V47 L60 A61 V62A7-V50 HydrophobicContact CB-CG2 3.94Å; A9-V50 HydrophobicContact CB-CG2 3.88Å; A9-V50 WeakPolarHBondContact CB-O 3.44Å; A18-V50 HydrophobicContact CB-CG2 4.43Å; A20-V50 HydrophobicContact CB-CG1 4.04Å; I26-V50 HydrophobicContact CD1-CG1 3.77Å; I26-V50 HydrophobicContact CG1-CG1 4.39Å; V47-V50 HydrophobicContact CG1-CG1 3.91Å; V50-L60 HydrophobicContact CB-CD1 4.37Å; V50-A61 CarbonylContact C-O 3.56Å; V50-A61 WeakPolarHBondContact CA-O 3.15Å; V50-V62 HydrophobicContact CG1-CB 4.47Å; V50-V62 HydrophobicContact CG1-CG1 4.12Å; V50-V62 HydrophobicContact CG1-CG2 4.16Å
51Q98.4Very high97Very high61 Ų6146.2 Ų46.229%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-152.7130.5177.2-161.6-174.821.100111.7A61 I101 A102 W103Q51-A61 PolarHBondContact N-O 2.87Å; Q51-A61 PolarHBondContact O-N 3.28Å; Q51-I101 HydrophobicContact CB-CD1 4.17Å; Q51-I101 HydrophobicContact CB-CG1 4.48Å; Q51-A102 VanDerWaalsContact OE1-C 3.32Å; Q51-W103 PolarHBondContact O-NE1 3.24Å
52W98.3Very high97Very high4 Ų445 Ų452%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-71.4140.8173.5-67.195.6000110.5A9 W10 H11 K16 A18 I28 P54 L60A9-W52 PolarHBondContact O-NE1 2.74Å; A9-W52 VanDerWaalsContact O-NE1 3.09Å; W10-W52 VanDerWaalsContact C-CD1 3.49Å; H11-W52 VanDerWaalsContact CA-CD1 3.49Å; H11-W52 HydrophobicContact CB-CD2 4.16Å; H11-W52 HydrophobicContact CB-CG 3.98Å; H11-W52 AromaticContact CD2-CD2 3.64Å; H11-W52 AromaticContact CD2-CE3 3.6Å; H11-W52 AromaticContact CD2-CG 3.85Å; K16-W52 HydrophobicContact CD-CH2 3.81Å; K16-W52 HydrophobicContact CD-CZ2 4.01Å; K16-W52 HydrophobicContact CG-CH2 4.32Å; K16-W52 HydrophobicContact CG-CZ2 3.99Å; A18-W52 HydrophobicContact CB-CZ2 4Å; I28-W52 HydrophobicContact CD1-CH2 3.98Å; I28-W52 HydrophobicContact CD1-CZ2 3.83Å; I28-W52 HydrophobicContact CG2-CH2 3.82Å; I28-W52 HydrophobicContact CG2-CZ2 3.89Å; W52-P54 WeakPolarHBondContact O-CD 3.38Å; W52-L60 HydrophobicContact CD2-CB 4.36Å; W52-L60 HydrophobicContact CD2-CD1 3.7Å; W52-L60 HydrophobicContact CE3-CB 3.94Å; W52-L60 HydrophobicContact CE3-CD1 4.16Å; W52-L60 HydrophobicContact CG-CD1 3.88Å; W52-L60 HydrophobicContact CH2-CB 4.4Å; W52-L60 HydrophobicContact CZ2-CD1 4.34Å; W52-L60 HydrophobicContact CZ3-CB 3.95Å
53K97.8Very high97.1Very high51 Ų5135.6 Ų35.622%0.22219%0.194CC..PPolyproline II helixtrans-69.6121.8172.1-174.9-176.9-175.9-171.20109.4C56 V59 W103 G107K53-C56 HydrophobicContact CB-CB 4.16Å; K53-C56 HydrophobicContact CD-CB 3.83Å; K53-C56 HydrophobicContact CG-CB 4Å; K53-C56 PolarHBondContact O-N 2.93Å; K53-C56 VanDerWaalsContact O-O 3.11Å; K53-V59 HydrophobicContact CB-CB 3.76Å; K53-V59 HydrophobicContact CB-CG1 3.83Å; K53-V59 HydrophobicContact CD-CB 3.87Å; K53-V59 HydrophobicContact CD-CG1 3.89Å; K53-V59 HydrophobicContact CD-CG2 4.35Å; K53-V59 HydrophobicContact CG-CB 4.47Å; K53-V59 HydrophobicContact CG-CG1 4.48Å; K53-V59 PolarHBondContact N-O 3Å; K53-W103 HydrophobicContact CB-CD2 4.04Å; K53-W103 HydrophobicContact CB-CE3 4.49Å; K53-W103 HydrophobicContact CB-CG 4.47Å; K53-W103 HydrophobicContact CB-CH2 4.4Å; K53-W103 HydrophobicContact CB-CZ2 3.94Å; K53-W103 HydrophobicContact CD-CH2 3.88Å; K53-W103 HydrophobicContact CD-CZ2 4.21Å; K53-W103 HydrophobicContact CD-CZ3 4.06Å; K53-W103 HydrophobicContact CG-CD2 3.95Å; K53-W103 HydrophobicContact CG-CE3 3.89Å; K53-W103 HydrophobicContact CG-CH2 3.99Å; K53-W103 HydrophobicContact CG-CZ2 4.04Å; K53-W103 HydrophobicContact CG-CZ3 3.92Å; K53-G107 WeakPolarHBondContact CE-O 3.46Å
54P96.3Very high97.1Very high19 Ų1932.8 Ų32.812%0.12318%0.179CC..THydrogen-bonded Turntrans-59.9154.7173.3-26.939.2000112.4P12 W52 C56 W103 S104 P105P12-P54 HydrophobicContact CG-CB 4.3Å; P12-P54 HydrophobicContact CG-CG 4.39Å; W52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-C56 PolarHBondContact O-N 2.89Å; P54-W103 VanDerWaalsContact CD-CB 3.44Å; P54-W103 HydrophobicContact CG-CB 4.22Å; P54-S104 VanDerWaalsContact CG-O 3.29Å; P54-S104 WeakPolarHBondContact CG-O 3.42Å; P54-P105 WeakPolarHBondContact CB-O 3.08Å
55L94.6Very high97.1Very high131 Ų13135.3 Ų35.369%0.68619%0.191SC*.THydrogen-bonded Turntrans56.716.3-179.4-50.6175.4000114.3H13H13-L55 PolarHBondContact CD2-N 3.26Å; H13-L55 PolarHBondContact NE2-N 2.81Å
56C93.8Very high97.1Very high29 Ų2933 Ų3320%0.19619%0.19CC..  trans-137.2125.1179.3-175.50000109.7H11 K53 P54 S58 V59H11-C56 PolarHBondContact NE2-O 3.26Å; K53-C56 HydrophobicContact CB-CB 4.16Å; K53-C56 HydrophobicContact CD-CB 3.83Å; K53-C56 HydrophobicContact CG-CB 4Å; K53-C56 PolarHBondContact O-N 2.93Å; K53-C56 VanDerWaalsContact O-O 3.11Å; P54-C56 PolarHBondContact O-N 2.89Å; C56-S58 VanDerWaalsContact C-N 3.31Å; C56-S58 PolarHBondContact O-N 2.88Å; C56-V59 VanDerWaalsContact SG-CG2 3.56Å
57A90.3Very high97.1Very high51 Ų5130 Ų3042%0.42117%0.174SC..SBendtrans-73.8-20.6-175.200000113.9H11 K16 P75H11-A57 WeakPolarHBondContact NE2-CA 3.22Å; K16-A57 PolarHBondContact NZ-O 2.88Å; A57-P75 HydrophobicContact CB-CG 3.82Å
58S93.4Very high97.1Very high21 Ų2130 Ų3015%0.14717%0.174CC..SBendtrans-117.7-16.5-162.768.60000114.8C56 N72 V73C56-S58 VanDerWaalsContact C-N 3.31Å; C56-S58 PolarHBondContact O-N 2.88Å; S58-N72 WeakPolarHBondContact CB-OD1 3.49Å; S58-N72 PolarHBondContact OG-OD1 2.8Å; S58-V73 VanDerWaalsContact CA-O 3.28Å; S58-V73 WeakPolarHBondContact CA-O 3.47Å; S58-V73 VanDerWaalsContact CB-O 3.22Å; S58-V73 WeakPolarHBondContact CB-O 3.47Å; S58-V73 WeakPolarHBondContact O-CA 3.43Å; S58-V73 PolarHBondContact O-N 3.3Å
59V97.3Very high97.2Very high20 Ų2028.2 Ų28.212%0.12116%0.159CC..EExtended strand (participates in β ladder)trans-95127-168.6176.60000112.3K53 C56 V70 W71 W103K53-V59 HydrophobicContact CB-CB 3.76Å; K53-V59 HydrophobicContact CB-CG1 3.83Å; K53-V59 HydrophobicContact CD-CB 3.87Å; K53-V59 HydrophobicContact CD-CG1 3.89Å; K53-V59 HydrophobicContact CD-CG2 4.35Å; K53-V59 HydrophobicContact CG-CB 4.47Å; K53-V59 HydrophobicContact CG-CG1 4.48Å; K53-V59 PolarHBondContact N-O 3Å; C56-V59 VanDerWaalsContact SG-CG2 3.56Å; V59-V70 HydrophobicContact CG1-CG1 3.38Å; V59-W71 CarbonylContact C-O 3.54Å; V59-W71 VanDerWaalsContact CA-O 3.27Å; V59-W71 WeakPolarHBondContact CA-O 3.49Å; V59-W103 HydrophobicContact CG1-CZ2 4.12Å
60L98.4Very high97.2Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-122.9121.7175.8-179.673.5000109.8A18 I26 I28 L39 V50 W52 V62 W71A18-L60 HydrophobicContact CB-CD1 4.04Å; A18-L60 HydrophobicContact CB-CD2 3.94Å; I26-L60 HydrophobicContact CG2-CD2 4.09Å; I28-L60 HydrophobicContact CD1-CD2 3.85Å; L39-L60 HydrophobicContact CD1-CD2 3.85Å; V50-L60 HydrophobicContact CB-CD1 4.37Å; W52-L60 HydrophobicContact CD2-CB 4.36Å; W52-L60 HydrophobicContact CD2-CD1 3.7Å; W52-L60 HydrophobicContact CE3-CB 3.94Å; W52-L60 HydrophobicContact CE3-CD1 4.16Å; W52-L60 HydrophobicContact CG-CD1 3.88Å; W52-L60 HydrophobicContact CH2-CB 4.4Å; W52-L60 HydrophobicContact CZ2-CD1 4.34Å; W52-L60 HydrophobicContact CZ3-CB 3.95Å; L60-V62 HydrophobicContact CD2-CG2 4.17Å; L60-V62 HydrophobicContact CG-CG2 4.22Å; L60-W71 HydrophobicContact CB-CB 4.4Å; L60-W71 PolarHBondContact N-O 2.91Å; L60-W71 PolarHBondContact O-N 3.35Å
61A98.8Very high97.2Very high0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-88.7142.3169.300000110.6V50 Q51 L69 I101 W103 L110V50-A61 CarbonylContact C-O 3.56Å; V50-A61 WeakPolarHBondContact CA-O 3.15Å; Q51-A61 PolarHBondContact N-O 2.87Å; Q51-A61 PolarHBondContact O-N 3.28Å; A61-L69 CarbonylContact C-O 3.56Å; A61-L69 WeakPolarHBondContact CA-O 3.24Å; A61-I101 HydrophobicContact CB-CD1 3.95Å; A61-W103 HydrophobicContact CB-CZ2 4.04Å; A61-L110 HydrophobicContact CB-CD1 4.14Å; A61-L110 HydrophobicContact CB-CD2 3.77Å
62V98.8Very high97Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-133.2121.3-177.4-177.60000108.5I26 Q44 V47 V50 L60 L68 L69I26-V62 HydrophobicContact CD1-CB 4.15Å; I26-V62 HydrophobicContact CD1-CG1 3.51Å; I26-V62 HydrophobicContact CD1-CG2 3.46Å; I26-V62 VanDerWaalsContact CD1-CG2 3.46Å; Q44-V62 HydrophobicContact CG-CG1 4.37Å; V47-V62 HydrophobicContact CG1-CG1 3.76Å; V47-V62 HydrophobicContact CG2-CG1 4.07Å; V50-V62 HydrophobicContact CG1-CB 4.47Å; V50-V62 HydrophobicContact CG1-CG1 4.12Å; V50-V62 HydrophobicContact CG1-CG2 4.16Å; L60-V62 HydrophobicContact CD2-CG2 4.17Å; L60-V62 HydrophobicContact CG-CG2 4.22Å; V62-L68 CarbonylContact O-C 3.55Å; V62-L68 WeakPolarHBondContact O-CA 3.38Å; V62-L69 HydrophobicContact CB-CB 4.25Å; V62-L69 PolarHBondContact N-O 2.81Å; V62-L69 PolarHBondContact O-N 2.85Å
63A98.7Very high96.7Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-83.4120.6172.400000109.8V47 A48 A49 L68 V98 I101V47-A63 WeakPolarHBondContact CA-O 3.38Å; A48-A63 PolarHBondContact N-O 2.85Å; A49-A63 HydrophobicContact CB-CB 4.04Å; A49-A63 PolarHBondContact O-N 3.47Å; A63-L68 HydrophobicContact CB-CD2 4.26Å; A63-V98 HydrophobicContact CB-CB 4.4Å; A63-V98 HydrophobicContact CB-CG1 4.06Å; A63-I101 HydrophobicContact CB-CD1 4.26Å; A63-I101 HydrophobicContact CB-CG1 4.26Å; A63-I101 HydrophobicContact CB-CG2 3.88Å
64C98.6Very high96Very high0 Ų030.3 Ų30.30%017%0.173CC..  trans-120.5172.1179-57.30000110N66 C67 V98C64-N66 PolarHBondContact O-N 2.88Å; C64-C67 CarbonylContact C-O 3.47Å; C64-C67 WeakPolarHBondContact CA-O 3.22Å; C64-C67 VanDerWaalsContact CB-O 3.3Å; C64-C67 WeakPolarHBondContact CB-O 3.21Å; C64-C67 PolarHBondContact N-O 2.95Å; C64-V98 WeakPolarHBondContact O-CB 3.31Å; C64-V98 PolarHBondContact O-N 2.8Å
65Q98Very high94.9Very high58 Ų5832.4 Ų32.427%0.27119%0.186SC..SBendtrans-46.9-61.5177.5-172.269.227.300111.4R45 N46 S96 P97 V98R45-Q65 HydrophobicContact CB-CB 4.4Å; R45-Q65 WeakPolarHBondContact O-CB 3.39Å; R45-Q65 PolarHBondContact O-N 2.74Å; N46-Q65 HydrophobicContact CB-CB 4.2Å; N46-Q65 PolarHBondContact ND2-OE1 2.84Å; Q65-S96 WeakPolarHBondContact O-CB 3.33Å; Q65-S96 PolarHBondContact O-OG 3.02Å; Q65-P97 WeakPolarHBondContact O-CA 2.99Å; Q65-V98 PolarHBondContact O-N 3.5Å
66N97.7Very high94.1Very high110 Ų11031.4 Ų31.459%0.58819%0.189SC*.SBendtrans-106.90.5-169.7-65-32.9000114.9C64 S96C64-N66 PolarHBondContact O-N 2.88Å; N66-S96 PolarHBondContact OD1-OG 3.2Å
67C98.1Very high93.4Very high4 Ų432.1 Ų32.13%0.02719%0.194CC..  trans-163.4172.4-173.463.40000111.9C64 V89 L90C64-C67 CarbonylContact C-O 3.47Å; C64-C67 WeakPolarHBondContact CA-O 3.22Å; C64-C67 VanDerWaalsContact CB-O 3.3Å; C64-C67 WeakPolarHBondContact CB-O 3.21Å; C64-C67 PolarHBondContact N-O 2.95Å; C67-V89 HydrophobicContact CB-CG1 3.93Å; C67-L90 WeakPolarHBondContact CA-O 3.48Å; C67-L90 WeakPolarHBondContact CB-O 3.33Å
68L98.6Very high92.9Very high1 Ų136.5 Ų36.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-97.1143.2158.9-58.8169.5000109.4V62 A63 L90 V98 I101 L110 W123V62-L68 CarbonylContact O-C 3.55Å; V62-L68 WeakPolarHBondContact O-CA 3.38Å; A63-L68 HydrophobicContact CB-CD2 4.26Å; L68-L90 HydrophobicContact CB-CB 4.13Å; L68-L90 HydrophobicContact CD1-CB 4.41Å; L68-L90 HydrophobicContact CD1-CD1 4.44Å; L68-L90 PolarHBondContact N-O 3.11Å; L68-L90 PolarHBondContact O-N 2.81Å; L68-V98 HydrophobicContact CD2-CB 4.44Å; L68-V98 HydrophobicContact CD2-CG1 3.67Å; L68-V98 HydrophobicContact CG-CG1 4.46Å; L68-I101 HydrophobicContact CD2-CG2 3.36Å; L68-L110 HydrophobicContact CD1-CD2 3.95Å; L68-W123 HydrophobicContact CD1-CD2 4.24Å; L68-W123 HydrophobicContact CD1-CG 4.3Å; L68-W123 HydrophobicContact CD1-CZ2 4.24Å
69L98.6Very high92.4Very high0 Ų037.6 Ų37.60%022%0.218CC..EExtended strand (participates in β ladder)trans-112123.9164.9-61173.2000108.8H41 Q44 A61 V62 Q88 V89H41-L69 HydrophobicContact CB-CD1 3.72Å; Q44-L69 HydrophobicContact CB-CD1 3.53Å; Q44-L69 HydrophobicContact CG-CD1 4Å; A61-L69 CarbonylContact C-O 3.56Å; A61-L69 WeakPolarHBondContact CA-O 3.24Å; V62-L69 HydrophobicContact CB-CB 4.25Å; V62-L69 PolarHBondContact N-O 2.81Å; V62-L69 PolarHBondContact O-N 2.85Å; L69-Q88 WeakPolarHBondContact CA-O 3.32Å; L69-V89 HydrophobicContact CD2-CB 4.41Å; L69-V89 HydrophobicContact CD2-CG1 4.45Å; L69-V89 HydrophobicContact CD2-CG2 3.76Å
70V98.4Very high92.1Very high9 Ų940.6 Ų40.66%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-103.9102.3171.7-176.50000108V59 A87 Q88 L90 W103 L110 V125V59-V70 HydrophobicContact CG1-CG1 3.38Å; V70-A87 WeakPolarHBondContact O-CA 3.26Å; V70-Q88 HydrophobicContact CB-CB 4.34Å; V70-Q88 PolarHBondContact N-O 2.85Å; V70-Q88 PolarHBondContact O-N 3.2Å; V70-L90 HydrophobicContact CG2-CD1 3.77Å; V70-L90 HydrophobicContact CG2-CG 4.32Å; V70-W103 HydrophobicContact CG1-CZ2 4.46Å; V70-L110 HydrophobicContact CG2-CD2 4.35Å; V70-V125 HydrophobicContact CB-CG1 4.32Å; V70-V125 HydrophobicContact CG1-CG1 4.02Å; V70-V125 HydrophobicContact CG2-CG1 4.05Å; V70-V125 HydrophobicContact CG2-CG2 4.47Å
71W98.1Very high91.7Very high1 Ų150 Ų500%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-84.6136.2178.8-76.595.1000111.2L39 K40 H41 V59 L60 V73 P82 S83 C86 A87L39-W71 HydrophobicContact CB-CD2 4.22Å; L39-W71 HydrophobicContact CB-CH2 4.31Å; L39-W71 HydrophobicContact CB-CZ2 3.9Å; L39-W71 HydrophobicContact CD1-CB 4.17Å; L39-W71 HydrophobicContact CD1-CD2 4.05Å; L39-W71 HydrophobicContact CD1-CG 3.85Å; L39-W71 HydrophobicContact CD2-CD2 4.39Å; L39-W71 HydrophobicContact CD2-CE3 4.18Å; L39-W71 HydrophobicContact CD2-CZ3 4.44Å; L39-W71 HydrophobicContact CG-CD2 4.46Å; K40-W71 WeakPolarHBondContact O-CH2 3.47Å; H41-W71 HydrophobicContact CB-CH2 4.37Å; H41-W71 HydrophobicContact CB-CZ2 3.75Å; V59-W71 CarbonylContact C-O 3.54Å; V59-W71 VanDerWaalsContact CA-O 3.27Å; V59-W71 WeakPolarHBondContact CA-O 3.49Å; L60-W71 HydrophobicContact CB-CB 4.4Å; L60-W71 PolarHBondContact N-O 2.91Å; L60-W71 PolarHBondContact O-N 3.35Å; W71-V73 HydrophobicContact CB-CG2 4.02Å; W71-P82 HydrophobicContact CZ3-CB 4.08Å; W71-S83 WeakPolarHBondContact CZ3-O 3.43Å; W71-C86 WeakPolarHBondContact CA-O 3.25Å; W71-C86 HydrophobicContact CE3-CB 4.11Å; W71-C86 HydrophobicContact CZ3-CB 4.15Å; W71-A87 HydrophobicContact CD2-CB 3.71Å; W71-A87 HydrophobicContact CE3-CB 3.88Å; W71-A87 HydrophobicContact CG-CB 4.25Å; W71-A87 HydrophobicContact CH2-CB 4.24Å; W71-A87 HydrophobicContact CZ2-CB 4.1Å; W71-A87 HydrophobicContact CZ3-CB 4.13Å
72N95.6Very high91.4Very high87 Ų8750.9 Ų50.947%0.46528%0.277SS..EExtended strand (participates in β ladder)trans-99.8105162.4-167.3-8.9000109.2S58 C86S58-N72 WeakPolarHBondContact CB-OD1 3.49Å; S58-N72 PolarHBondContact OG-OD1 2.8Å; N72-C86 PolarHBondContact N-O 2.9Å
73V90.3Very high91.1Very high7 Ų754.5 Ų54.54%0.04230%0.302CS..  trans-105.590.6-179.9-171.20000108.2I28 L39 S58 W71 P75I28-V73 HydrophobicContact CG1-CG1 4.39Å; L39-V73 HydrophobicContact CD1-CG2 3.88Å; L39-V73 HydrophobicContact CD2-CG2 3.94Å; S58-V73 VanDerWaalsContact CA-O 3.28Å; S58-V73 WeakPolarHBondContact CA-O 3.47Å; S58-V73 VanDerWaalsContact CB-O 3.22Å; S58-V73 WeakPolarHBondContact CB-O 3.47Å; S58-V73 WeakPolarHBondContact O-CA 3.43Å; S58-V73 PolarHBondContact O-N 3.3Å; W71-V73 HydrophobicContact CB-CG2 4.02Å; V73-P75 WeakPolarHBondContact O-CD 3.38Å
74D83.4Confident90.7Very high89 Ų8957.7 Ų57.748%0.47633%0.325SS..  trans-55119.6178.5174.75.4000110.5C76 S77D74-C76 PolarHBondContact O-N 2.98Å; D74-C76 PolarHBondContact OD1-N 2.89Å; D74-S77 VanDerWaalsContact O-CB 3.29Å; D74-S77 WeakPolarHBondContact O-CB 3.23Å; D74-S77 PolarHBondContact O-N 2.94Å
75P73.1Confident90.5Very high63 Ų6361 Ų6141%0.40936%0.359SS..THydrogen-bonded Turntrans-59.6-24.5-179.8-23.133.5000114.2A57 V73A57-P75 HydrophobicContact CB-CG 3.82Å; V73-P75 WeakPolarHBondContact O-CD 3.38Å
76C78.2Confident90.3Very high109 Ų10960.7 Ų60.774%0.73636%0.362SS*.THydrogen-bonded Turntrans-94.4-3.2-180-64.60000112.7D74 L78D74-C76 PolarHBondContact O-N 2.98Å; D74-C76 PolarHBondContact OD1-N 2.89Å; C76-L78 PolarHBondContact O-N 3.46Å
77S79.8Confident90.3Very high45 Ų4556.1 Ų56.132%0.31534%0.34SS..  trans-67.1127.9-178.5-1670000111.3D74 S79D74-S77 VanDerWaalsContact O-CB 3.29Å; D74-S77 WeakPolarHBondContact O-CB 3.23Å; D74-S77 PolarHBondContact O-N 2.94Å; S77-S79 PolarHBondContact O-N 3.34Å; S77-S79 WeakPolarHBondContact OG-CB 3.32Å; S77-S79 PolarHBondContact OG-N 3.5Å
78L78.9Confident90.3Very high143 Ų14358.5 Ų58.575%0.74935%0.351SS*.  trans-85.810168.5-56.5177.7000112I35 C76 T80I35-L78 HydrophobicContact CD1-CB 3.85Å; I35-L78 HydrophobicContact CD1-CD2 3.83Å; I35-L78 HydrophobicContact CD1-CG 4.46Å; I35-L78 WeakPolarHBondContact CD1-O 3.05Å; C76-L78 PolarHBondContact O-N 3.46Å; L78-T80 PolarHBondContact O-N 2.79Å
79S84.1Confident90.2Very high44 Ų4461.3 Ų61.331%0.30837%0.368SS..  trans-78.2122.2178.7-173.90000111S77 R81S77-S79 PolarHBondContact O-N 3.34Å; S77-S79 WeakPolarHBondContact OG-CB 3.32Å; S77-S79 PolarHBondContact OG-N 3.5Å; S79-R81 PolarHBondContact O-N 2.85Å; S79-R81 PolarHBondContact OG-N 3.28Å; S79-R81 PolarHBondContact OG-O 2.85Å
80T89.6Confident90.2Very high82 Ų8261.9 Ų61.950%0.50337%0.371SS..SBendtrans-71.8-18.8169.655.40000112.2I35 P37 T38 L78I35-T80 HydrophobicContact CG2-CG2 3.7Å; P37-T80 CarbonylContact C-O 3.58Å; P37-T80 WeakPolarHBondContact CA-O 3.26Å; T38-T80 PolarHBondContact N-O 2.75Å; L78-T80 PolarHBondContact O-N 2.79Å
81R91.5Very high90.2Very high197 Ų19765.1 Ų65.174%0.74339%0.394SS*.SBendtrans-141.492.6-179.4-64.8-173.9-163.8-172.55110.2S79S79-R81 PolarHBondContact O-N 2.85Å; S79-R81 PolarHBondContact OG-N 3.28Å; S79-R81 PolarHBondContact OG-O 2.85Å
82P91.1Very high90.1Very high20 Ų2068.1 Ų68.113%0.1341%0.408CS..  trans-54.6142.3171.4-28.439.1000111.5P37 L39 W71 C86P37-P82 HydrophobicContact CB-CG 4.29Å; L39-P82 HydrophobicContact CD2-CB 4.11Å; L39-P82 HydrophobicContact CD2-CG 3.59Å; W71-P82 HydrophobicContact CZ3-CB 4.08Å; P82-C86 HydrophobicContact CB-CB 4.46Å
83S92.7Very high90.1Very high75 Ų7569.4 Ų69.452%0.52442%0.421SS..  trans-65.2151.4178.2175.80000110.7W71 G85 C86W71-S83 WeakPolarHBondContact CZ3-O 3.43Å; S83-G85 PolarHBondContact O-N 3.4Å; S83-G85 VanDerWaalsContact O-N 3.12Å; S83-G85 PolarHBondContact OG-N 3.08Å; S83-C86 VanDerWaalsContact O-CB 3.26Å; S83-C86 WeakPolarHBondContact O-CB 3.41Å; S83-C86 PolarHBondContact O-N 2.98Å
84S91.4Very high90.2Very high68 Ų6872.2 Ų72.248%0.47645%0.451SS..G310 helixtrans-57.1-25.7171.454.40000113C86 A87S84-C86 PolarHBondContact O-N 2.83Å; S84-A87 PolarHBondContact O-N 3.08Å
85G93.1Very high90.8Very high69 Ų6968.2 Ų68.271%0.71143%0.43SS*.G310 helixtrans-68.3-11.3174.600000114.3S83 A87S83-G85 PolarHBondContact O-N 3.4Å; S83-G85 VanDerWaalsContact O-N 3.12Å; S83-G85 PolarHBondContact OG-N 3.08Å; G85-A87 PolarHBondContact O-N 3.08Å
86C94.7Very high91.9Very high51 Ų5166.8 Ų66.835%0.34542%0.422SS..G310 helixtrans-81.50.6172.4-57.20000112.7W71 N72 P82 S83 S84W71-C86 WeakPolarHBondContact CA-O 3.25Å; W71-C86 HydrophobicContact CE3-CB 4.11Å; W71-C86 HydrophobicContact CZ3-CB 4.15Å; N72-C86 PolarHBondContact N-O 2.9Å; P82-C86 HydrophobicContact CB-CB 4.46Å; S83-C86 VanDerWaalsContact O-CB 3.26Å; S83-C86 WeakPolarHBondContact O-CB 3.41Å; S83-C86 PolarHBondContact O-N 2.98Å; S84-C86 PolarHBondContact O-N 2.83Å
87A96.9Very high92.8Very high15 Ų1562.9 Ų62.912%0.12440%0.395CS..EExtended strand (participates in β ladder)trans-114.3124.6178.300000111.1V70 W71 S84 G85V70-A87 WeakPolarHBondContact O-CA 3.26Å; W71-A87 HydrophobicContact CD2-CB 3.71Å; W71-A87 HydrophobicContact CE3-CB 3.88Å; W71-A87 HydrophobicContact CG-CB 4.25Å; W71-A87 HydrophobicContact CH2-CB 4.24Å; W71-A87 HydrophobicContact CZ2-CB 4.1Å; W71-A87 HydrophobicContact CZ3-CB 4.13Å; S84-A87 PolarHBondContact O-N 3.08Å; G85-A87 PolarHBondContact O-N 3.08Å
88Q97.6Very high93.7Very high53 Ų5360.9 Ų60.925%0.24838%0.381CS..EExtended strand (participates in β ladder)trans-85.1137.4166.2-171.1-173.57.100109L69 V70 L90 V125 E128L69-Q88 WeakPolarHBondContact CA-O 3.32Å; V70-Q88 HydrophobicContact CB-CB 4.34Å; V70-Q88 PolarHBondContact N-O 2.85Å; V70-Q88 PolarHBondContact O-N 3.2Å; Q88-L90 HydrophobicContact CG-CD2 4.12Å; Q88-V125 PolarHBondContact NE2-O 2.83Å; Q88-V125 VanDerWaalsContact OE1-CG1 3.32Å; Q88-E128 PolarHBondContact NE2-OE1 2.94Å
89V98.1Very high94.5Very high60 Ų6056.1 Ų56.136%0.36436%0.357SS..EExtended strand (participates in β ladder)trans-102.4122.7179.2-174.90000108.9L43 C67 L69L43-V89 HydrophobicContact CD1-CG1 3.87Å; L43-V89 HydrophobicContact CD1-CG2 4.13Å; C67-V89 HydrophobicContact CB-CG1 3.93Å; L69-V89 HydrophobicContact CD2-CB 4.41Å; L69-V89 HydrophobicContact CD2-CG1 4.45Å; L69-V89 HydrophobicContact CD2-CG2 3.76Å
90L98.3Very high95.2Very high13 Ų1354.5 Ų54.57%0.06835%0.346CS..EExtended strand (participates in β ladder)trans-114.1131172.8-46173.9000109.2C67 L68 V70 Q88 W123 V125C67-L90 WeakPolarHBondContact CA-O 3.48Å; C67-L90 WeakPolarHBondContact CB-O 3.33Å; L68-L90 HydrophobicContact CB-CB 4.13Å; L68-L90 HydrophobicContact CD1-CB 4.41Å; L68-L90 HydrophobicContact CD1-CD1 4.44Å; L68-L90 PolarHBondContact N-O 3.11Å; L68-L90 PolarHBondContact O-N 2.81Å; V70-L90 HydrophobicContact CG2-CD1 3.77Å; V70-L90 HydrophobicContact CG2-CG 4.32Å; Q88-L90 HydrophobicContact CG-CD2 4.12Å; L90-W123 HydrophobicContact CB-CD2 4.29Å; L90-W123 HydrophobicContact CB-CE3 3.78Å; L90-W123 HydrophobicContact CB-CH2 4.19Å; L90-W123 HydrophobicContact CB-CZ3 3.72Å; L90-W123 HydrophobicContact CD1-CB 4.35Å; L90-W123 HydrophobicContact CD1-CD2 4.24Å; L90-W123 HydrophobicContact CD1-CE3 4.1Å; L90-W123 HydrophobicContact CD1-CG 4.36Å; L90-W123 HydrophobicContact CG-CE3 4.37Å; L90-V125 HydrophobicContact CD1-CG1 4.44Å; L90-V125 HydrophobicContact CD1-CG2 3.87Å
91S97.4Very high95.6Very high77 Ų7751.2 Ų51.254%0.53833%0.326SS..  trans-151.5144.7-179.861.40000111.2
92H96.9Very high95.9Very high63 Ų6342 Ų4229%0.29229%0.291SS..  trans-126.5137.6174.1-171.9-77000109.1G94 H95 M121 W123H92-G94 PolarHBondContact O-N 3.29Å; H92-H95 HydrophobicContact CB-CB 4Å; H92-H95 WeakPolarHBondContact O-CB 3.35Å; H92-H95 PolarHBondContact O-N 2.78Å; H92-M121 HydrophobicContact CB-CE 3.98Å; H92-M121 HydrophobicContact CB-CG 4.47Å; H92-M121 HydrophobicContact CB-SD 4.12Å; H92-M121 VanDerWaalsContact ND1-CE 3.31Å; H92-M121 WeakPolarHBondContact ND1-CE 3.44Å; H92-W123 HydrophobicContact CB-CH2 3.91Å; H92-W123 HydrophobicContact CB-CZ2 4.29Å
93P95.1Very high96.3Very high114 Ų11441.3 Ų41.374%0.7429%0.286SS*.THydrogen-bonded Turntrans-53.1133.3177.1-26.935.1000112.2H95P93-H95 PolarHBondContact O-N 3.28Å
94G91.6Very high96.5Very high66 Ų6637.8 Ų37.868%0.6826%0.262SS*.THydrogen-bonded Turntrans78.1-10.8-178.400000115.7H92 S96H92-G94 PolarHBondContact O-N 3.29Å; G94-S96 PolarHBondContact O-N 3.09Å; G94-S96 VanDerWaalsContact O-N 3.09Å
95H95.9Very high96.8Very high5 Ų536.4 Ų36.42%0.02325%0.251CS..  trans-88.268.4-178.5-161.773000111.8H92 P93 V98 S112 D117 M121H92-H95 HydrophobicContact CB-CB 4Å; H92-H95 WeakPolarHBondContact O-CB 3.35Å; H92-H95 PolarHBondContact O-N 2.78Å; P93-H95 PolarHBondContact O-N 3.28Å; H95-V98 WeakPolarHBondContact O-CG2 3.21Å; H95-S112 PolarHBondContact NE2-OG 3.34Å; H95-D117 IonicContact CE1-OD2 2.7Å; H95-D117 IonicContact CG-OD2 3.05Å; H95-D117 IonicContact ND1-OD2 3.18Å; H95-D117 PolarHBondContact ND1-OD2 2.84Å; H95-M121 HydrophobicContact CB-CE 4.08Å; H95-M121 HydrophobicContact CB-CG 4.43Å
96S96.2Very high96.9Very high34 Ų3436.5 Ų36.524%0.23824%0.241CC..  trans-153.9138.1-179.6169.70000110.8Q65 N66 G94Q65-S96 WeakPolarHBondContact O-CB 3.33Å; Q65-S96 PolarHBondContact O-OG 3.02Å; N66-S96 PolarHBondContact OD1-OG 3.2Å; G94-S96 PolarHBondContact O-N 3.09Å; G94-S96 VanDerWaalsContact O-N 3.09Å
97P97.4Very high97Very high26 Ų2634.2 Ų34.217%0.16923%0.226CC..SBendcis-72.6143.1-1.227-31.9000113.4Q65 T99 S114Q65-P97 WeakPolarHBondContact O-CA 2.99Å; P97-T99 HydrophobicContact CB-CG2 4.14Å; P97-T99 HydrophobicContact CG-CG2 4.14Å; P97-T99 PolarHBondContact O-N 2.87Å; P97-S114 VanDerWaalsContact O-CA 3.26Å; P97-S114 WeakPolarHBondContact O-CA 3.06Å; P97-S114 WeakPolarHBondContact O-CB 3.34Å; P97-S114 PolarHBondContact O-OG 3.2Å
98V98.4Very high96.9Very high3 Ų336.7 Ų36.72%0.01824%0.242CC..  trans-83.4112.4170-166.70000109.1A63 C64 Q65 L68 H95 I101A63-V98 HydrophobicContact CB-CB 4.4Å; A63-V98 HydrophobicContact CB-CG1 4.06Å; C64-V98 WeakPolarHBondContact O-CB 3.31Å; C64-V98 PolarHBondContact O-N 2.8Å; Q65-V98 PolarHBondContact O-N 3.5Å; L68-V98 HydrophobicContact CD2-CB 4.44Å; L68-V98 HydrophobicContact CD2-CG1 3.67Å; L68-V98 HydrophobicContact CG-CG1 4.46Å; H95-V98 WeakPolarHBondContact O-CG2 3.21Å; V98-I101 HydrophobicContact CG1-CG2 4.34Å
99T97.3Very high96.9Very high43 Ų4336.1 Ų36.126%0.26424%0.241SC..  trans-112.8-16.8-172.663.50000114.1P97 A113 P115P97-T99 HydrophobicContact CB-CG2 4.14Å; P97-T99 HydrophobicContact CG-CG2 4.14Å; P97-T99 PolarHBondContact O-N 2.87Å; T99-A113 PolarHBondContact N-O 3.03Å; T99-P115 HydrophobicContact CG2-CG 3.85Å; T99-P115 VanDerWaalsContact OG1-CD 3.26Å; T99-P115 WeakPolarHBondContact OG1-CD 3.11Å; T99-P115 WeakPolarHBondContact OG1-CG 3.41Å
100S97.4Very high97Very high11 Ų1133.2 Ų33.28%0.07722%0.223CC..EExtended strand (participates in β ladder)trans-141.9142.1-179.7-168.90000111S112 A113 L144S100-S112 WeakPolarHBondContact O-CA 3.33Å; S100-A113 PolarHBondContact N-O 3.44Å; S100-A113 PolarHBondContact O-N 3.31Å; S100-L144 PolarHBondContact OG-N 3.2Å
101I98.6Very high97Very high13 Ų1332.6 Ų32.67%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-140.3148.1178.752.1171.8000110.8A49 Q51 A61 A63 L68 V98 L110 V111A49-I101 HydrophobicContact CB-CD1 4.47Å; A49-I101 HydrophobicContact CB-CG1 3.92Å; Q51-I101 HydrophobicContact CB-CD1 4.17Å; Q51-I101 HydrophobicContact CB-CG1 4.48Å; A61-I101 HydrophobicContact CB-CD1 3.95Å; A63-I101 HydrophobicContact CB-CD1 4.26Å; A63-I101 HydrophobicContact CB-CG1 4.26Å; A63-I101 HydrophobicContact CB-CG2 3.88Å; L68-I101 HydrophobicContact CD2-CG2 3.36Å; V98-I101 HydrophobicContact CG1-CG2 4.34Å; I101-L110 HydrophobicContact CB-CD1 4.17Å; I101-V111 CarbonylContact C-O 3.59Å; I101-V111 WeakPolarHBondContact CA-O 3.41Å
102A98.3Very high97Very high3 Ų329 Ų293%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-145.6117.2175.900000111.2Q51 V111 L144Q51-A102 VanDerWaalsContact OE1-C 3.32Å; A102-V111 PolarHBondContact N-O 3.19Å; A102-V111 PolarHBondContact O-N 2.81Å; A102-L144 HydrophobicContact CB-CB 4.02Å
103W98.5Very high97Very high5 Ų526 Ų262%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-76145.7167.4-81.2109.2000111.2Q51 K53 P54 V59 A61 V70 L110 V125 W146Q51-W103 PolarHBondContact O-NE1 3.24Å; K53-W103 HydrophobicContact CB-CD2 4.04Å; K53-W103 HydrophobicContact CB-CE3 4.49Å; K53-W103 HydrophobicContact CB-CG 4.47Å; K53-W103 HydrophobicContact CB-CH2 4.4Å; K53-W103 HydrophobicContact CB-CZ2 3.94Å; K53-W103 HydrophobicContact CD-CH2 3.88Å; K53-W103 HydrophobicContact CD-CZ2 4.21Å; K53-W103 HydrophobicContact CD-CZ3 4.06Å; K53-W103 HydrophobicContact CG-CD2 3.95Å; K53-W103 HydrophobicContact CG-CE3 3.89Å; K53-W103 HydrophobicContact CG-CH2 3.99Å; K53-W103 HydrophobicContact CG-CZ2 4.04Å; K53-W103 HydrophobicContact CG-CZ3 3.92Å; P54-W103 VanDerWaalsContact CD-CB 3.44Å; P54-W103 HydrophobicContact CG-CB 4.22Å; V59-W103 HydrophobicContact CG1-CZ2 4.12Å; A61-W103 HydrophobicContact CB-CZ2 4.04Å; V70-W103 HydrophobicContact CG1-CZ2 4.46Å; W103-L110 HydrophobicContact CD2-CB 4.06Å; W103-L110 HydrophobicContact CD2-CD1 3.87Å; W103-L110 HydrophobicContact CD2-CG 4.48Å; W103-L110 HydrophobicContact CE3-CB 3.8Å; W103-L110 HydrophobicContact CE3-CD1 4.45Å; W103-L110 HydrophobicContact CG-CD1 3.96Å; W103-L110 HydrophobicContact CH2-CB 3.97Å; W103-L110 HydrophobicContact CH2-CD2 4.49Å; W103-L110 HydrophobicContact CZ2-CB 4.22Å; W103-L110 HydrophobicContact CZ2-CD1 4.47Å; W103-L110 HydrophobicContact CZ2-CD2 4.12Å; W103-L110 HydrophobicContact CZ3-CB 3.75Å; W103-V125 HydrophobicContact CH2-CB 4.02Å; W103-V125 HydrophobicContact CH2-CG1 4.36Å; W103-V125 HydrophobicContact CH2-CG2 3.5Å; W103-V125 VanDerWaalsContact CH2-CG2 3.5Å; W103-V125 HydrophobicContact CZ2-CG2 4.38Å; W103-V125 HydrophobicContact CZ3-CG2 4.01Å; W103-W146 VanDerWaalsContact C-CZ3 3.45Å
104S97.9Very high97.1Very high1 Ų120.5 Ų20.51%0.00715%0.145CC..  trans-62.1146.3168.828.80000109.8P54 S106 G107 S108 L109 W146P54-S104 VanDerWaalsContact CG-O 3.29Å; P54-S104 WeakPolarHBondContact CG-O 3.42Å; S104-S106 VanDerWaalsContact CB-OG 3.3Å; S104-S106 WeakPolarHBondContact CB-OG 3.31Å; S104-S106 PolarHBondContact O-N 2.93Å; S104-S106 PolarHBondContact OG-OG 2.56Å; S104-G107 WeakPolarHBondContact O-CA 3.48Å; S104-G107 PolarHBondContact O-N 3.28Å; S104-G107 PolarHBondContact OG-N 3.4Å; S104-S108 PolarHBondContact OG-N 2.89Å; S104-L109 PolarHBondContact N-O 2.83Å; S104-L109 PolarHBondContact OG-N 2.7Å; S104-L109 PolarHBondContact OG-O 2.86Å; S104-W146 VanDerWaalsContact CA-CH2 3.5Å
105P96.5Very high97.2Very high40 Ų4019.2 Ų19.226%0.2613%0.125SC..THydrogen-bonded Turntrans-55.9-31.1166.9-25.835.4000112.7P54 G107 S147 P148P54-P105 WeakPolarHBondContact CB-O 3.08Å; P105-G107 VanDerWaalsContact C-N 3.28Å; P105-G107 PolarHBondContact O-N 3.02Å; P105-S147 WeakPolarHBondContact CG-O 3.29Å; P105-P148 VanDerWaalsContact CB-O 3.28Å; P105-P148 WeakPolarHBondContact CB-O 3.3Å; P105-P148 VanDerWaalsContact CG-O 3.3Å; P105-P148 WeakPolarHBondContact CG-O 3.26Å
106S96.2Very high97.1Very high71 Ų7125.4 Ų25.450%0.49716%0.157SC..THydrogen-bonded Turntrans-73.9-14.9171.759.90000114.1S104 S108S104-S106 VanDerWaalsContact CB-OG 3.3Å; S104-S106 WeakPolarHBondContact CB-OG 3.31Å; S104-S106 PolarHBondContact O-N 2.93Å; S104-S106 PolarHBondContact OG-OG 2.56Å; S106-S108 PolarHBondContact O-N 3.25Å; S106-S108 PolarHBondContact OG-OG 2.84Å
107G96.4Very high97Very high3 Ų324.7 Ų24.73%0.03115%0.151CC..SBendtrans68.97.8-174.700000114.7K53 S104 P105K53-G107 WeakPolarHBondContact CE-O 3.46Å; S104-G107 WeakPolarHBondContact O-CA 3.48Å; S104-G107 PolarHBondContact O-N 3.28Å; S104-G107 PolarHBondContact OG-N 3.4Å; P105-G107 VanDerWaalsContact C-N 3.28Å; P105-G107 PolarHBondContact O-N 3.02Å
108S95.5Very high96.7Very high66 Ų6627.4 Ų27.446%0.46217%0.167SC..SBendtrans-77.6-36.7-176.954.60000113.1S104 S106S104-S108 PolarHBondContact OG-N 2.89Å; S106-S108 PolarHBondContact O-N 3.25Å; S106-S108 PolarHBondContact OG-OG 2.84Å
109L97.8Very high96.4Very high41 Ų4127.6 Ų27.622%0.21517%0.169CC..  trans-123.2143.2-176-62.8177000110.9S104 V122 W123 D124 W146 W170S104-L109 PolarHBondContact N-O 2.83Å; S104-L109 PolarHBondContact OG-N 2.7Å; S104-L109 PolarHBondContact OG-O 2.86Å; L109-V122 HydrophobicContact CB-CG1 4.43Å; L109-V122 HydrophobicContact CD1-CG1 4Å; L109-V122 HydrophobicContact CD2-CG1 4.25Å; L109-V122 HydrophobicContact CG-CG1 4.46Å; L109-W123 WeakPolarHBondContact CA-O 3.13Å; L109-D124 HydrophobicContact CD2-CB 4.06Å; L109-W146 HydrophobicContact CB-CH2 3.88Å; L109-W146 HydrophobicContact CB-CZ3 4.4Å; L109-W146 WeakPolarHBondContact O-CZ3 2.92Å; L109-W170 HydrophobicContact CD1-CZ2 4.03Å
110L98.6Very high96.3Very high0 Ų025.6 Ų25.60%016%0.156CC..EExtended strand (participates in β ladder)trans-111.1136.5168.1174.463.2000108.1A61 L68 V70 I101 W103 W123 V125A61-L110 HydrophobicContact CB-CD1 4.14Å; A61-L110 HydrophobicContact CB-CD2 3.77Å; L68-L110 HydrophobicContact CD1-CD2 3.95Å; V70-L110 HydrophobicContact CG2-CD2 4.35Å; I101-L110 HydrophobicContact CB-CD1 4.17Å; W103-L110 HydrophobicContact CD2-CB 4.06Å; W103-L110 HydrophobicContact CD2-CD1 3.87Å; W103-L110 HydrophobicContact CD2-CG 4.48Å; W103-L110 HydrophobicContact CE3-CB 3.8Å; W103-L110 HydrophobicContact CE3-CD1 4.45Å; W103-L110 HydrophobicContact CG-CD1 3.96Å; W103-L110 HydrophobicContact CH2-CB 3.97Å; W103-L110 HydrophobicContact CH2-CD2 4.49Å; W103-L110 HydrophobicContact CZ2-CB 4.22Å; W103-L110 HydrophobicContact CZ2-CD1 4.47Å; W103-L110 HydrophobicContact CZ2-CD2 4.12Å; W103-L110 HydrophobicContact CZ3-CB 3.75Å; L110-W123 HydrophobicContact CB-CB 4.25Å; L110-W123 PolarHBondContact N-O 3.01Å; L110-W123 WeakPolarHBondContact O-CB 3.25Å; L110-W123 VanDerWaalsContact O-CD1 3.28Å; L110-W123 PolarHBondContact O-N 3.01Å; L110-V125 HydrophobicContact CB-CG2 3.93Å; L110-V125 HydrophobicContact CD2-CG2 4.3Å
111V98.4Very high96.3Very high0 Ų025.1 Ų25.10%015%0.153CC..EExtended strand (participates in β ladder)trans-112.7140.9174.9-176.50000109.2I101 A102 M120 M121 V122 L144 W146 I153 W170I101-V111 CarbonylContact C-O 3.59Å; I101-V111 WeakPolarHBondContact CA-O 3.41Å; A102-V111 PolarHBondContact N-O 3.19Å; A102-V111 PolarHBondContact O-N 2.81Å; V111-M120 HydrophobicContact CG1-CE 3.69Å; V111-M120 HydrophobicContact CG1-CG 3.26Å; V111-M120 HydrophobicContact CG1-SD 3.28Å; V111-M120 WeakPolarHBondContact CG1-SD 3.48Å; V111-M121 CarbonylContact C-O 3.59Å; V111-M121 VanDerWaalsContact CA-O 3.24Å; V111-M121 WeakPolarHBondContact CA-O 3.26Å; V111-M121 WeakPolarHBondContact CG1-O 3.39Å; V111-V122 HydrophobicContact CG2-CG2 4.24Å; V111-L144 HydrophobicContact CB-CD1 4.34Å; V111-L144 HydrophobicContact CG1-CD1 3.74Å; V111-L144 HydrophobicContact CG1-CD2 4.39Å; V111-W146 HydrophobicContact CG2-CE3 4.45Å; V111-W146 HydrophobicContact CG2-CH2 4.25Å; V111-W146 HydrophobicContact CG2-CZ3 3.83Å; V111-I153 HydrophobicContact CG2-CD1 3.8Å; V111-W170 HydrophobicContact CG2-CH2 4.18Å
112S98.4Very high96.3Very high0 Ų025 Ų250%015%0.153CC..EExtended strand (participates in β ladder)trans-134.1156.9175.374.20000113.4H95 S100 M120 M121 W123H95-S112 PolarHBondContact NE2-OG 3.34Å; S100-S112 WeakPolarHBondContact O-CA 3.33Å; S112-M120 WeakPolarHBondContact O-CG 3.3Å; S112-M121 PolarHBondContact N-O 3.16Å; S112-M121 PolarHBondContact O-N 2.87Å; S112-W123 PolarHBondContact OG-NE1 2.89Å
113A97.3Very high96.3Very high0 Ų025.5 Ų25.50%015%0.154CC..EExtended strand (participates in β ladder)trans-140.2147.2-174.400000112.1T99 S100 V141 L144T99-A113 PolarHBondContact N-O 3.03Å; S100-A113 PolarHBondContact N-O 3.44Å; S100-A113 PolarHBondContact O-N 3.31Å; A113-V141 HydrophobicContact CB-CB 3.48Å; A113-V141 VanDerWaalsContact CB-CB 3.48Å; A113-V141 HydrophobicContact CB-CG1 3.36Å; A113-L144 HydrophobicContact CB-CD1 3.5Å; A113-L144 VanDerWaalsContact CB-CD1 3.5Å; A113-L144 HydrophobicContact CB-CD2 4.36Å; A113-L144 HydrophobicContact CB-CG 3.77Å
114S96.5Very high96.3Very high0 Ų027.8 Ų27.80%017%0.167CC..  trans-127.1139170.1179.90000110P97 L116 D117 G140 V141P97-S114 VanDerWaalsContact O-CA 3.26Å; P97-S114 WeakPolarHBondContact O-CA 3.06Å; P97-S114 WeakPolarHBondContact O-CB 3.34Å; P97-S114 PolarHBondContact O-OG 3.2Å; S114-L116 PolarHBondContact O-N 3Å; S114-L116 PolarHBondContact OG-N 2.9Å; S114-D117 PolarHBondContact O-N 2.86Å; S114-D117 VanDerWaalsContact O-O 3.06Å; S114-G140 CarbonylContact O-C 3.53Å; S114-G140 WeakPolarHBondContact O-CA 3.26Å; S114-V141 CarbonylContact C-O 3.42Å; S114-V141 PolarHBondContact O-N 3.05Å
115P94.3Very high96.1Very high39 Ų3928.3 Ų28.325%0.25317%0.17SC..THydrogen-bonded Turntrans-66.2-17.4174.3-20.834.8000112.9T99 G140 T142T99-P115 HydrophobicContact CG2-CG 3.85Å; T99-P115 VanDerWaalsContact OG1-CD 3.26Å; T99-P115 WeakPolarHBondContact OG1-CD 3.11Å; T99-P115 WeakPolarHBondContact OG1-CG 3.41Å; P115-G140 VanDerWaalsContact O-CA 3.31Å; P115-G140 WeakPolarHBondContact O-CA 3.44Å; P115-G140 PolarHBondContact O-N 3.36Å; P115-T142 HydrophobicContact CB-CG2 4.03Å; P115-T142 HydrophobicContact CG-CG2 4.15Å
116L94Very high96Very high135 Ų13530.8 Ų30.871%0.70719%0.194SC*.THydrogen-bonded Turntrans-102.3-7.4-179.4-56.4-174.3000113.5S114S114-L116 PolarHBondContact O-N 3Å; S114-L116 PolarHBondContact OG-N 2.9Å
117D92.6Very high96Very high19 Ų1930.3 Ų30.310%0.10219%0.194CC..  trans-109.6120.4175.2-173.4-5.4000109.9H95 S114 S119 M121 G140H95-D117 IonicContact CE1-OD2 2.7Å; H95-D117 IonicContact CG-OD2 3.05Å; H95-D117 IonicContact ND1-OD2 3.18Å; H95-D117 PolarHBondContact ND1-OD2 2.84Å; S114-D117 PolarHBondContact O-N 2.86Å; S114-D117 VanDerWaalsContact O-O 3.06Å; D117-S119 PolarHBondContact O-N 2.97Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 WeakPolarHBondContact OD1-CB 3.31Å; D117-S119 PolarHBondContact OD1-N 3.37Å; D117-S119 PolarHBondContact OD1-OG 3.25Å; D117-M121 WeakPolarHBondContact OD2-CE 3.49Å; D117-G140 WeakPolarHBondContact O-CA 3.38Å
118T91.1Very high95.9Very high82 Ų8237.2 Ų37.250%0.50323%0.226SC..SBendtrans-68.9-7177.661.80000114.1
119S93.2Very high95.9Very high8 Ų836.7 Ų36.76%0.05622%0.222CC..SBendtrans-100.3144175.2-41.90000110.8D117 L133D117-S119 PolarHBondContact O-N 2.97Å; D117-S119 VanDerWaalsContact O-N 3.16Å; D117-S119 WeakPolarHBondContact OD1-CB 3.31Å; D117-S119 PolarHBondContact OD1-N 3.37Å; D117-S119 PolarHBondContact OD1-OG 3.25Å; S119-L133 WeakPolarHBondContact CA-O 3.32Å
120M95.7Very high95.9Very high0 Ų036.6 Ų36.60%022%0.224CC..EExtended strand (participates in β ladder)trans-94.8137.3162.5-177.2179.476.900108.2V111 S112 L133 V136 L144 I153 A155 W170V111-M120 HydrophobicContact CG1-CE 3.69Å; V111-M120 HydrophobicContact CG1-CG 3.26Å; V111-M120 HydrophobicContact CG1-SD 3.28Å; V111-M120 WeakPolarHBondContact CG1-SD 3.48Å; S112-M120 WeakPolarHBondContact O-CG 3.3Å; M120-L133 HydrophobicContact CE-CD1 3.7Å; M120-L133 PolarHBondContact N-O 3.16Å; M120-L133 PolarHBondContact O-N 2.7Å; M120-V136 HydrophobicContact CB-CG2 4.37Å; M120-L144 HydrophobicContact CG-CD1 4.36Å; M120-L144 HydrophobicContact CG-CD2 4.06Å; M120-L144 HydrophobicContact SD-CD1 4.39Å; M120-L144 HydrophobicContact SD-CD2 3.25Å; M120-L144 WeakPolarHBondContact SD-CD2 3.36Å; M120-L144 HydrophobicContact SD-CG 4.45Å; M120-I153 HydrophobicContact SD-CG2 4.42Å; M120-A155 HydrophobicContact SD-CB 4.3Å; M120-W170 HydrophobicContact CE-CZ3 3.93Å
121M97.6Very high95.8Very high1 Ų140.6 Ų40.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-97.3131.6-179-62.7-63.5169.100110.2H92 H95 V111 S112 D117 W123 P132H92-M121 HydrophobicContact CB-CE 3.98Å; H92-M121 HydrophobicContact CB-CG 4.47Å; H92-M121 HydrophobicContact CB-SD 4.12Å; H92-M121 VanDerWaalsContact ND1-CE 3.31Å; H92-M121 WeakPolarHBondContact ND1-CE 3.44Å; H95-M121 HydrophobicContact CB-CE 4.08Å; H95-M121 HydrophobicContact CB-CG 4.43Å; V111-M121 CarbonylContact C-O 3.59Å; V111-M121 VanDerWaalsContact CA-O 3.24Å; V111-M121 WeakPolarHBondContact CA-O 3.26Å; V111-M121 WeakPolarHBondContact CG1-O 3.39Å; S112-M121 PolarHBondContact N-O 3.16Å; S112-M121 PolarHBondContact O-N 2.87Å; D117-M121 WeakPolarHBondContact OD2-CE 3.49Å; M121-W123 HydrophobicContact CB-CZ2 3.82Å; M121-W123 VanDerWaalsContact CB-NE1 3.31Å; M121-W123 HydrophobicContact CG-CZ2 4.1Å; M121-P132 HydrophobicContact CE-CB 4.01Å; M121-P132 HydrophobicContact SD-CB 3.71Å
122V98.1Very high95.7Very high12 Ų1242.8 Ų42.87%0.07326%0.263CS..EExtended strand (participates in β ladder)trans-108.9118.4172.3-177.10000108.5L109 V111 C130 V131 L133 W170L109-V122 HydrophobicContact CB-CG1 4.43Å; L109-V122 HydrophobicContact CD1-CG1 4Å; L109-V122 HydrophobicContact CD2-CG1 4.25Å; L109-V122 HydrophobicContact CG-CG1 4.46Å; V111-V122 HydrophobicContact CG2-CG2 4.24Å; V122-C130 WeakPolarHBondContact O-CA 3.31Å; V122-V131 PolarHBondContact N-O 2.7Å; V122-V131 PolarHBondContact O-N 2.97Å; V122-L133 HydrophobicContact CG2-CD1 3.43Å; V122-L133 VanDerWaalsContact CG2-CD1 3.43Å; V122-L133 HydrophobicContact CG2-CG 3.82Å; V122-W170 HydrophobicContact CB-CZ2 4.45Å; V122-W170 HydrophobicContact CG1-CH2 4.14Å; V122-W170 HydrophobicContact CG1-CZ2 3.72Å; V122-W170 HydrophobicContact CG2-CH2 3.67Å; V122-W170 HydrophobicContact CG2-CZ2 3.87Å; V122-W170 HydrophobicContact CG2-CZ3 4.05Å
123W98.4Very high95.4Very high12 Ų1243.8 Ų43.85%0.04527%0.268CS..EExtended strand (participates in β ladder)trans-107.7124.7-175.6-52.787.9000110L68 L90 H92 L109 L110 S112 M121 V125 S129 C130L68-W123 HydrophobicContact CD1-CD2 4.24Å; L68-W123 HydrophobicContact CD1-CG 4.3Å; L68-W123 HydrophobicContact CD1-CZ2 4.24Å; L90-W123 HydrophobicContact CB-CD2 4.29Å; L90-W123 HydrophobicContact CB-CE3 3.78Å; L90-W123 HydrophobicContact CB-CH2 4.19Å; L90-W123 HydrophobicContact CB-CZ3 3.72Å; L90-W123 HydrophobicContact CD1-CB 4.35Å; L90-W123 HydrophobicContact CD1-CD2 4.24Å; L90-W123 HydrophobicContact CD1-CE3 4.1Å; L90-W123 HydrophobicContact CD1-CG 4.36Å; L90-W123 HydrophobicContact CG-CE3 4.37Å; H92-W123 HydrophobicContact CB-CH2 3.91Å; H92-W123 HydrophobicContact CB-CZ2 4.29Å; L109-W123 WeakPolarHBondContact CA-O 3.13Å; L110-W123 HydrophobicContact CB-CB 4.25Å; L110-W123 PolarHBondContact N-O 3.01Å; L110-W123 WeakPolarHBondContact O-CB 3.25Å; L110-W123 VanDerWaalsContact O-CD1 3.28Å; L110-W123 PolarHBondContact O-N 3.01Å; S112-W123 PolarHBondContact OG-NE1 2.89Å; M121-W123 HydrophobicContact CB-CZ2 3.82Å; M121-W123 VanDerWaalsContact CB-NE1 3.31Å; M121-W123 HydrophobicContact CG-CZ2 4.1Å; W123-V125 HydrophobicContact CB-CG2 4.25Å; W123-S129 WeakPolarHBondContact CA-O 3.28Å; W123-C130 HydrophobicContact CD2-CB 4.13Å; W123-C130 HydrophobicContact CE3-CB 3.47Å; W123-C130 VanDerWaalsContact CE3-CB 3.47Å; W123-C130 HydrophobicContact CH2-CB 4.05Å; W123-C130 VanDerWaalsContact CH2-SG 3.55Å; W123-C130 HydrophobicContact CZ3-CB 3.42Å; W123-C130 VanDerWaalsContact CZ3-CB 3.42Å; W123-C130 VanDerWaalsContact CZ3-SG 3.53Å
124D97.4Very high94.8Very high53 Ų5350.1 Ų50.128%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-90.5101155.1-173-31.2000107.1L109 A126 A127 E128 S129L109-D124 HydrophobicContact CD2-CB 4.06Å; D124-A126 VanDerWaalsContact C-N 3.28Å; D124-A126 PolarHBondContact O-N 2.82Å; D124-A126 PolarHBondContact OD1-N 2.83Å; D124-A127 HydrophobicContact CB-CB 4Å; D124-A127 VanDerWaalsContact CG-CB 3.46Å; D124-A127 PolarHBondContact O-N 3.28Å; D124-A127 PolarHBondContact OD1-N 2.87Å; D124-E128 WeakPolarHBondContact O-CA 3.41Å; D124-E128 PolarHBondContact O-N 3.47Å; D124-S129 PolarHBondContact N-O 2.66Å; D124-S129 PolarHBondContact O-N 3.28Å
125V95.1Very high93.8Very high12 Ų1259.9 Ų59.97%0.07334%0.335CS..THydrogen-bonded Turntrans-67.6-31.5-174.6179.50000111.7V70 Q88 L90 W103 L110 W123V70-V125 HydrophobicContact CB-CG1 4.32Å; V70-V125 HydrophobicContact CG1-CG1 4.02Å; V70-V125 HydrophobicContact CG2-CG1 4.05Å; V70-V125 HydrophobicContact CG2-CG2 4.47Å; Q88-V125 PolarHBondContact NE2-O 2.83Å; Q88-V125 VanDerWaalsContact OE1-CG1 3.32Å; L90-V125 HydrophobicContact CD1-CG1 4.44Å; L90-V125 HydrophobicContact CD1-CG2 3.87Å; W103-V125 HydrophobicContact CH2-CB 4.02Å; W103-V125 HydrophobicContact CH2-CG1 4.36Å; W103-V125 HydrophobicContact CH2-CG2 3.5Å; W103-V125 VanDerWaalsContact CH2-CG2 3.5Å; W103-V125 HydrophobicContact CZ2-CG2 4.38Å; W103-V125 HydrophobicContact CZ3-CG2 4.01Å; L110-V125 HydrophobicContact CB-CG2 3.93Å; L110-V125 HydrophobicContact CD2-CG2 4.3Å; W123-V125 HydrophobicContact CB-CG2 4.25Å
126A94.1Very high92.8Very high92 Ų9258.1 Ų58.176%0.7632%0.323SS*.THydrogen-bonded Turntrans-78.1-38-179.800000111.7D124 E128D124-A126 VanDerWaalsContact C-N 3.28Å; D124-A126 PolarHBondContact O-N 2.82Å; D124-A126 PolarHBondContact OD1-N 2.83Å; A126-E128 VanDerWaalsContact C-N 3.27Å
127A95.4Very high91.8Very high62 Ų6253.2 Ų53.251%0.51231%0.305SS..THydrogen-bonded Turntrans-84-0.8175.800000113.6D124 S129D124-A127 HydrophobicContact CB-CB 4Å; D124-A127 VanDerWaalsContact CG-CB 3.46Å; D124-A127 PolarHBondContact O-N 3.28Å; D124-A127 PolarHBondContact OD1-N 2.87Å; A127-S129 PolarHBondContact O-N 3.2Å; A127-S129 VanDerWaalsContact O-N 3.16Å
128E93.6Very high91.2Very high148 Ų14853.8 Ų53.869%0.69232%0.315SS*.THydrogen-bonded Turntrans51.535.1-175.7-48.1-157.3137.600113.4Q88 D124 A126Q88-E128 PolarHBondContact NE2-OE1 2.94Å; D124-E128 WeakPolarHBondContact O-CA 3.41Å; D124-E128 PolarHBondContact O-N 3.47Å; A126-E128 VanDerWaalsContact C-N 3.27Å
129S96.6Very high91Very high55 Ų5551.5 Ų51.539%0.38531%0.308SS..EExtended strand (participates in β ladder)trans-114.5151.8-175.876.20000111.6W123 D124 A127W123-S129 WeakPolarHBondContact CA-O 3.28Å; D124-S129 PolarHBondContact N-O 2.66Å; D124-S129 PolarHBondContact O-N 3.28Å; A127-S129 PolarHBondContact O-N 3.2Å; A127-S129 VanDerWaalsContact O-N 3.16Å
130C97.3Very high90.9Very high39 Ų3951.2 Ų51.226%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-137.5132.8-178.7-175.50000109.9V122 W123V122-C130 WeakPolarHBondContact O-CA 3.31Å; W123-C130 HydrophobicContact CD2-CB 4.13Å; W123-C130 HydrophobicContact CE3-CB 3.47Å; W123-C130 VanDerWaalsContact CE3-CB 3.47Å; W123-C130 HydrophobicContact CH2-CB 4.05Å; W123-C130 VanDerWaalsContact CH2-SG 3.55Å; W123-C130 HydrophobicContact CZ3-CB 3.42Å; W123-C130 VanDerWaalsContact CZ3-CB 3.42Å; W123-C130 VanDerWaalsContact CZ3-SG 3.53Å
131V97Very high90.7Very high83 Ų8351.2 Ų51.250%0.50331%0.307SS..EExtended strand (participates in β ladder)trans-122.2120.2174.4-178.60000108.9V122V122-V131 PolarHBondContact N-O 2.7Å; V122-V131 PolarHBondContact O-N 2.97Å
132P95.8Very high90.5Very high47 Ų4753.6 Ų53.631%0.30532%0.321SS..EExtended strand (participates in β ladder)trans-76.6125.1172.829.2-32000110.5M121 Q134M121-P132 HydrophobicContact CE-CB 4.01Å; M121-P132 HydrophobicContact SD-CB 3.71Å; P132-Q134 PolarHBondContact O-N 2.64Å
133L93.5Very high90.3Very high21 Ų2155.5 Ų55.511%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-91.499168.7-65.4-179000109.7S119 M120 V122 W165 W170S119-L133 WeakPolarHBondContact CA-O 3.32Å; M120-L133 HydrophobicContact CE-CD1 3.7Å; M120-L133 PolarHBondContact N-O 3.16Å; M120-L133 PolarHBondContact O-N 2.7Å; V122-L133 HydrophobicContact CG2-CD1 3.43Å; V122-L133 VanDerWaalsContact CG2-CD1 3.43Å; V122-L133 HydrophobicContact CG2-CG 3.82Å; L133-W165 HydrophobicContact CB-CH2 4.32Å; L133-W165 HydrophobicContact CB-CZ3 4.43Å; L133-W165 HydrophobicContact CD1-CE3 4.4Å; L133-W165 HydrophobicContact CD1-CZ3 4.47Å; L133-W170 HydrophobicContact CD1-CB 4.25Å; L133-W170 HydrophobicContact CD1-CD2 3.53Å; L133-W170 HydrophobicContact CD1-CE3 3.11Å; L133-W170 HydrophobicContact CD1-CG 4.05Å; L133-W170 HydrophobicContact CD1-CH2 4.29Å; L133-W170 HydrophobicContact CD1-CZ3 3.52Å; L133-W170 HydrophobicContact CD2-CB 4.02Å; L133-W170 HydrophobicContact CD2-CG 4.21Å
134Q84Confident90.2Very high133 Ų13355.3 Ų55.362%0.62133%0.329SS*.  trans-81.5152.1173.1-59-171.6-12.300109.2P132P132-Q134 PolarHBondContact O-N 2.64Å
135R75.6Confident90.2Very high205 Ų20553.9 Ų53.977%0.77432%0.323SS*.  trans102.316.1-178.1-55.2166.1-173.81663.5116.7G137 R163 W165R135-G137 VanDerWaalsContact C-N 3.33Å; R135-G137 PolarHBondContact O-N 3.35Å; R135-R163 PolarHBondContact O-NE 3.47Å; R135-R163 PolarHBondContact O-NH2 3.34Å; R135-R163 VanDerWaalsContact O-NH2 3.14Å; R135-W165 HydrophobicContact CB-CH2 4.45Å
136V72.5Confident90.3Very high1 Ų154.7 Ų54.71%0.00633%0.325CS..  trans-57.6-49.8168.2-172.10000110M120 V141 T157 R163 W165M120-V136 HydrophobicContact CB-CG2 4.37Å; V136-V141 HydrophobicContact CB-CG2 4.11Å; V136-V141 HydrophobicContact CG1-CG2 3.61Å; V136-V141 HydrophobicContact CG2-CG2 3.74Å; V136-T157 HydrophobicContact CG1-CG2 3.44Å; V136-T157 VanDerWaalsContact CG1-CG2 3.44Å; V136-R163 WeakPolarHBondContact O-CD 3.42Å; V136-R163 PolarHBondContact O-NE 2.86Å; V136-W165 HydrophobicContact CG2-CZ2 4.05Å
137G74.3Confident90.5Very high33 Ų3350.3 Ų50.334%0.3429%0.288SS..  trans67.7158.8-177.400000112.3R135 T157R135-G137 VanDerWaalsContact C-N 3.33Å; R135-G137 PolarHBondContact O-N 3.35Å; G137-T157 WeakPolarHBondContact O-CG2 3.45Å
138G79.8Confident90.5Very high30 Ų3050.2 Ų50.231%0.30928%0.282SS..SBendtrans81.316.1-178.900000115.6T157 S159G138-T157 PolarHBondContact O-OG1 3.37Å; G138-S159 WeakPolarHBondContact CA-OG 3.33Å; G138-S159 WeakPolarHBondContact O-CB 3.45Å; G138-S159 PolarHBondContact O-N 2.91Å; G138-S159 PolarHBondContact O-OG 3.06Å; G138-S159 VanDerWaalsContact O-OG 3.07Å
139G86.9Confident90.5Very high34 Ų3447.7 Ų47.735%0.35127%0.274SS..SBendtrans103.1-160-17600000111.7
140G90.1Very high90.4Very high3 Ų345.9 Ų45.93%0.03126%0.263CS..SBendtrans-74.6-176.2172.400000113.3S114 P115 D117 T157 P158S114-G140 CarbonylContact O-C 3.53Å; S114-G140 WeakPolarHBondContact O-CA 3.26Å; P115-G140 VanDerWaalsContact O-CA 3.31Å; P115-G140 WeakPolarHBondContact O-CA 3.44Å; P115-G140 PolarHBondContact O-N 3.36Å; D117-G140 WeakPolarHBondContact O-CA 3.38Å; G140-T157 WeakPolarHBondContact O-CA 3.45Å; G140-T157 WeakPolarHBondContact O-CB 3.31Å; G140-P158 WeakPolarHBondContact O-CD 3.27Å
141V92.3Very high90.3Very high0 Ų045.6 Ų45.60%026%0.262CS..  trans-103.3129.9-179.5177.30000109.8A113 S114 V136 L144 A155 S156A113-V141 HydrophobicContact CB-CB 3.48Å; A113-V141 VanDerWaalsContact CB-CB 3.48Å; A113-V141 HydrophobicContact CB-CG1 3.36Å; S114-V141 CarbonylContact C-O 3.42Å; S114-V141 PolarHBondContact O-N 3.05Å; V136-V141 HydrophobicContact CB-CG2 4.11Å; V136-V141 HydrophobicContact CG1-CG2 3.61Å; V136-V141 HydrophobicContact CG2-CG2 3.74Å; V141-L144 HydrophobicContact CG1-CD2 3.73Å; V141-L144 HydrophobicContact CG1-CG 4.03Å; V141-A155 HydrophobicContact CG1-CB 4.19Å; V141-A155 HydrophobicContact CG2-CB 4.49Å; V141-S156 CarbonylContact C-O 3.54Å; V141-S156 WeakPolarHBondContact CA-O 3.41Å; V141-S156 WeakPolarHBondContact CG1-O 3.38Å
142T92.6Very high90.2Very high51 Ų5143.5 Ų43.531%0.31325%0.246SC..  trans-103.8-28.5-177.843.70000113.2P115 S156 P158P115-T142 HydrophobicContact CB-CG2 4.03Å; P115-T142 HydrophobicContact CG-CG2 4.15Å; T142-S156 PolarHBondContact N-O 2.94Å; T142-S156 PolarHBondContact OG1-O 2.89Å; T142-S156 PolarHBondContact OG1-OG 3.39Å; T142-P158 HydrophobicContact CG2-CG 3.68Å
143F94.5Very high90.1Very high52 Ų5241.2 Ų41.223%0.22823%0.232CC..EExtended strand (participates in β ladder)trans-144.9137.9-179.1178.7-98.8000111.7L154 A155 S156 G185F143-L154 HydrophobicContact CD1-CD2 4.09Å; F143-L154 HydrophobicContact CE1-CD2 3.96Å; F143-A155 WeakPolarHBondContact O-CA 3.45Å; F143-S156 WeakPolarHBondContact CB-OG 3.15Å; F143-S156 PolarHBondContact O-N 2.79Å; F143-G185 WeakPolarHBondContact CZ-O 3.47Å
144L97Very high90.2Very high8 Ų840.2 Ų40.24%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-123.2137.7176.6-67.3174.7000110.6S100 A102 V111 A113 M120 V141 I153 L154 A155S100-L144 PolarHBondContact OG-N 3.2Å; A102-L144 HydrophobicContact CB-CB 4.02Å; V111-L144 HydrophobicContact CB-CD1 4.34Å; V111-L144 HydrophobicContact CG1-CD1 3.74Å; V111-L144 HydrophobicContact CG1-CD2 4.39Å; A113-L144 HydrophobicContact CB-CD1 3.5Å; A113-L144 VanDerWaalsContact CB-CD1 3.5Å; A113-L144 HydrophobicContact CB-CD2 4.36Å; A113-L144 HydrophobicContact CB-CG 3.77Å; M120-L144 HydrophobicContact CG-CD1 4.36Å; M120-L144 HydrophobicContact CG-CD2 4.06Å; M120-L144 HydrophobicContact SD-CD1 4.39Å; M120-L144 HydrophobicContact SD-CD2 3.25Å; M120-L144 WeakPolarHBondContact SD-CD2 3.36Å; M120-L144 HydrophobicContact SD-CG 4.45Å; V141-L144 HydrophobicContact CG1-CD2 3.73Å; V141-L144 HydrophobicContact CG1-CG 4.03Å; L144-I153 HydrophobicContact CD2-CG2 4.21Å; L144-L154 VanDerWaalsContact CA-O 3.31Å; L144-L154 WeakPolarHBondContact CA-O 3.22Å; L144-A155 HydrophobicContact CD2-CB 3.89Å
145S96.9Very high90.7Very high23 Ų2333.9 Ų33.916%0.16120%0.197CC..EExtended strand (participates in β ladder)trans-150.3119.7173-174.90000111.4I153 L154 W187S145-I153 WeakPolarHBondContact O-CA 3.5Å; S145-L154 PolarHBondContact N-O 3.03Å; S145-L154 PolarHBondContact O-N 2.73Å; S145-W187 PolarHBondContact O-NE1 3.31Å
146W97.5Very high91.5Very high29 Ų2924.1 Ų24.111%0.1116%0.16CC..EExtended strand (participates in β ladder)trans-81.7138.3177.2-141.4-42000110.7W103 S104 L109 V111 G150 I153 T167W103-W146 VanDerWaalsContact C-CZ3 3.45Å; S104-W146 VanDerWaalsContact CA-CH2 3.5Å; L109-W146 HydrophobicContact CB-CH2 3.88Å; L109-W146 HydrophobicContact CB-CZ3 4.4Å; L109-W146 WeakPolarHBondContact O-CZ3 2.92Å; V111-W146 HydrophobicContact CG2-CE3 4.45Å; V111-W146 HydrophobicContact CG2-CH2 4.25Å; V111-W146 HydrophobicContact CG2-CZ3 3.83Å; W146-G150 VanDerWaalsContact NE1-C 3.34Å; W146-G150 PolarHBondContact NE1-O 2.88Å; W146-I153 HydrophobicContact CB-CG1 4.41Å; W146-I153 HydrophobicContact CD2-CD1 3.73Å; W146-I153 HydrophobicContact CD2-CG1 3.78Å; W146-I153 HydrophobicContact CE3-CD1 3.94Å; W146-I153 HydrophobicContact CE3-CG1 4.42Å; W146-I153 HydrophobicContact CG-CD1 4.22Å; W146-I153 HydrophobicContact CG-CG1 3.73Å; W146-I153 HydrophobicContact CH2-CD1 4.17Å; W146-I153 HydrophobicContact CZ2-CD1 4.01Å; W146-I153 HydrophobicContact CZ3-CD1 4.17Å; W146-T167 HydrophobicContact CZ2-CG2 4.18Å
147S96.8Very high92.4Very high0 Ų024.1 Ų24.10%016%0.16CC..  trans-63.2146.6167.466.30000111P105 D149 G150 S151 H152P105-S147 WeakPolarHBondContact CG-O 3.29Å; S147-D149 WeakPolarHBondContact CB-OD1 3.26Å; S147-D149 PolarHBondContact O-N 2.95Å; S147-D149 PolarHBondContact OG-OD1 2.54Å; S147-G150 PolarHBondContact O-N 3.15Å; S147-S151 PolarHBondContact OG-N 3.13Å; S147-H152 PolarHBondContact N-O 2.89Å; S147-H152 PolarHBondContact OG-N 2.83Å; S147-H152 PolarHBondContact OG-O 2.87Å
148P95.2Very high93.1Very high59 Ų5925.9 Ų25.938%0.38317%0.166SC..THydrogen-bonded Turntrans-61.8-28.4-177.6-26.535.6000114.6P105 G150 W187 S188P105-P148 VanDerWaalsContact CB-O 3.28Å; P105-P148 WeakPolarHBondContact CB-O 3.3Å; P105-P148 VanDerWaalsContact CG-O 3.3Å; P105-P148 WeakPolarHBondContact CG-O 3.26Å; P148-G150 VanDerWaalsContact C-N 3.28Å; P148-W187 VanDerWaalsContact CD-CB 3.5Å; P148-W187 HydrophobicContact CG-CB 4.15Å; P148-S188 WeakPolarHBondContact CG-O 3.36Å
149D94Very high93.5Very high96 Ų9626.2 Ų26.251%0.51316%0.163SC..THydrogen-bonded Turntrans-81.3-7.7175.769.1-13.5000113.1S147 S151S147-D149 WeakPolarHBondContact CB-OD1 3.26Å; S147-D149 PolarHBondContact O-N 2.95Å; S147-D149 PolarHBondContact OG-OD1 2.54Å; D149-S151 PolarHBondContact O-N 2.6Å; D149-S151 PolarHBondContact OD1-N 3.46Å; D149-S151 PolarHBondContact OD1-OG 2.98Å; D149-S151 WeakPolarHBondContact OD2-CB 3.39Å; D149-S151 PolarHBondContact OD2-OG 3.25Å
150G95.6Very high93.4Very high16 Ų1626.6 Ų26.617%0.16516%0.163CC..SBendtrans79.5-2.7179.700000114.8W146 S147 P148 H152 T167W146-G150 VanDerWaalsContact NE1-C 3.34Å; W146-G150 PolarHBondContact NE1-O 2.88Å; S147-G150 PolarHBondContact O-N 3.15Å; P148-G150 VanDerWaalsContact C-N 3.28Å; G150-H152 PolarHBondContact O-N 3.11Å; G150-T167 WeakPolarHBondContact O-CG2 3.21Å; G150-T167 PolarHBondContact O-OG1 2.98Å
151S93.6Very high93.2Very high33 Ų3328.3 Ų28.323%0.23117%0.171CC..SBendtrans-73.2-25.7-173.466.70000113.7S147 D149 E166 T167S147-S151 PolarHBondContact OG-N 3.13Å; D149-S151 PolarHBondContact O-N 2.6Å; D149-S151 PolarHBondContact OD1-N 3.46Å; D149-S151 PolarHBondContact OD1-OG 2.98Å; D149-S151 WeakPolarHBondContact OD2-CB 3.39Å; D149-S151 PolarHBondContact OD2-OG 3.25Å; S151-E166 WeakPolarHBondContact O-CA 3.04Å; S151-T167 PolarHBondContact O-N 2.89Å; S151-T167 PolarHBondContact O-OG1 3.09Å
152H94.9Very high93.1Very high39 Ų3928.6 Ų28.618%0.18117%0.173CC..EExtended strand (participates in β ladder)trans-137.3151.5-172.7-68.3-57.9000114.5S147 G150 V164 W165 W187 F209S147-H152 PolarHBondContact N-O 2.89Å; S147-H152 PolarHBondContact OG-N 2.83Å; S147-H152 PolarHBondContact OG-O 2.87Å; G150-H152 PolarHBondContact O-N 3.11Å; H152-V164 HydrophobicContact CB-CG1 3.84Å; H152-W165 CarbonylContact C-O 3.55Å; H152-W165 WeakPolarHBondContact CA-O 3.37Å; H152-W165 PolarHBondContact ND1-O 2.69Å; H152-W187 HydrophobicContact CB-CH2 3.43Å; H152-W187 VanDerWaalsContact CB-CH2 3.43Å; H152-W187 HydrophobicContact CB-CZ2 3.84Å; H152-W187 HydrophobicContact CB-CZ3 4.24Å; H152-F209 AromaticContact CD2-CD1 3.75Å; H152-F209 AromaticContact CD2-CE1 3.99Å; H152-F209 AromaticContact NE2-CD1 3.69Å
153I95.7Very high92.9Very high0 Ų028.2 Ų28.20%017%0.165CC..EExtended strand (participates in β ladder)trans-128.6123.8170.5-63.6179000109.7V111 M120 L144 S145 W146 V164 W165 T167 W170V111-I153 HydrophobicContact CG2-CD1 3.8Å; M120-I153 HydrophobicContact SD-CG2 4.42Å; L144-I153 HydrophobicContact CD2-CG2 4.21Å; S145-I153 WeakPolarHBondContact O-CA 3.5Å; W146-I153 HydrophobicContact CB-CG1 4.41Å; W146-I153 HydrophobicContact CD2-CD1 3.73Å; W146-I153 HydrophobicContact CD2-CG1 3.78Å; W146-I153 HydrophobicContact CE3-CD1 3.94Å; W146-I153 HydrophobicContact CE3-CG1 4.42Å; W146-I153 HydrophobicContact CG-CD1 4.22Å; W146-I153 HydrophobicContact CG-CG1 3.73Å; W146-I153 HydrophobicContact CH2-CD1 4.17Å; W146-I153 HydrophobicContact CZ2-CD1 4.01Å; W146-I153 HydrophobicContact CZ3-CD1 4.17Å; I153-V164 CarbonylContact O-C 3.56Å; I153-V164 VanDerWaalsContact O-CA 3.32Å; I153-V164 WeakPolarHBondContact O-CA 3.39Å; I153-W165 HydrophobicContact CB-CB 4.4Å; I153-W165 PolarHBondContact N-O 2.77Å; I153-W165 PolarHBondContact O-N 2.84Å; I153-T167 HydrophobicContact CD1-CG2 3.94Å; I153-T167 HydrophobicContact CG1-CG2 3.72Å; I153-W170 HydrophobicContact CD1-CH2 3.77Å; I153-W170 HydrophobicContact CD1-CZ3 3.8Å
154L95Very high92.8Very high0 Ų026 Ų260%016%0.156CC..EExtended strand (participates in β ladder)trans-75.1127.2163.3171.761.5000108.9F143 L144 S145 F162 W187 L194F143-L154 HydrophobicContact CD1-CD2 4.09Å; F143-L154 HydrophobicContact CE1-CD2 3.96Å; L144-L154 VanDerWaalsContact CA-O 3.31Å; L144-L154 WeakPolarHBondContact CA-O 3.22Å; S145-L154 PolarHBondContact N-O 3.03Å; S145-L154 PolarHBondContact O-N 2.73Å; L154-F162 HydrophobicContact CD1-CB 4.3Å; L154-F162 HydrophobicContact CD1-CD2 3.59Å; L154-F162 HydrophobicContact CD1-CE2 4.33Å; L154-F162 HydrophobicContact CD1-CG 4.28Å; L154-W187 HydrophobicContact CB-CZ2 4.47Å; L154-L194 HydrophobicContact CB-CD2 3.94Å; L154-L194 HydrophobicContact CD1-CD2 4.1Å; L154-L194 HydrophobicContact CD2-CD1 4.01Å; L154-L194 HydrophobicContact CD2-CD2 4.03Å; L154-L194 HydrophobicContact CD2-CG 4.49Å; L154-L194 HydrophobicContact CG-CD2 4.22Å
155A94.3Very high92.6Very high0 Ų026 Ų260%016%0.155CC..EExtended strand (participates in β ladder)trans-125.5109.7168.400000109M120 V141 F143 L144 F162 R163M120-A155 HydrophobicContact SD-CB 4.3Å; V141-A155 HydrophobicContact CG1-CB 4.19Å; V141-A155 HydrophobicContact CG2-CB 4.49Å; F143-A155 WeakPolarHBondContact O-CA 3.45Å; L144-A155 HydrophobicContact CD2-CB 3.89Å; A155-F162 WeakPolarHBondContact O-CA 3.48Å; A155-R163 PolarHBondContact N-O 2.77Å; A155-R163 PolarHBondContact O-N 3.31Å
156S92.4Very high92.3Very high0 Ų027.2 Ų27.20%016%0.159CC..EExtended strand (participates in β ladder)trans-95.9153.3175.279.60000112.3V141 T142 F143 C182V141-S156 CarbonylContact C-O 3.54Å; V141-S156 WeakPolarHBondContact CA-O 3.41Å; V141-S156 WeakPolarHBondContact CG1-O 3.38Å; T142-S156 PolarHBondContact N-O 2.94Å; T142-S156 PolarHBondContact OG1-O 2.89Å; T142-S156 PolarHBondContact OG1-OG 3.39Å; F143-S156 WeakPolarHBondContact CB-OG 3.15Å; F143-S156 PolarHBondContact O-N 2.79Å; S156-C182 WeakPolarHBondContact CB-O 3.26Å; S156-C182 PolarHBondContact OG-O 2.9Å
157T91.4Very high92.2Very high1 Ų127 Ų271%0.00616%0.161CC..  trans-119.9166.2-178.677.30000110V136 G137 G138 G140 S159 L161 C181V136-T157 HydrophobicContact CG1-CG2 3.44Å; V136-T157 VanDerWaalsContact CG1-CG2 3.44Å; G137-T157 WeakPolarHBondContact O-CG2 3.45Å; G138-T157 PolarHBondContact O-OG1 3.37Å; G140-T157 WeakPolarHBondContact O-CA 3.45Å; G140-T157 WeakPolarHBondContact O-CB 3.31Å; T157-S159 PolarHBondContact O-N 2.92Å; T157-S159 PolarHBondContact OG1-N 3.27Å; T157-S159 PolarHBondContact OG1-O 2.78Å; T157-S159 PolarHBondContact OG1-OG 3.09Å; T157-L161 WeakPolarHBondContact CB-O 3.18Å; T157-L161 WeakPolarHBondContact CG2-O 3.37Å; T157-L161 PolarHBondContact N-O 3.45Å; T157-L161 PolarHBondContact OG1-O 2.98Å; T157-C181 WeakPolarHBondContact O-CB 3.2Å
158P88.6Confident91.9Very high70 Ų7037.6 Ų37.646%0.45520%0.201SC..SBendtrans-61.6-18.2170.6-22.631.9000114.2G140 T142 C181G140-P158 WeakPolarHBondContact O-CD 3.27Å; T142-P158 HydrophobicContact CG2-CG 3.68Å; P158-C181 WeakPolarHBondContact O-CB 3.13Å
159S87.5Confident91.7Very high36 Ų3641.9 Ų41.925%0.25222%0.217SC..SBendtrans-90179177.676.80000112G138 T157 L161 C181G138-S159 WeakPolarHBondContact CA-OG 3.33Å; G138-S159 WeakPolarHBondContact O-CB 3.45Å; G138-S159 PolarHBondContact O-N 2.91Å; G138-S159 PolarHBondContact O-OG 3.06Å; G138-S159 VanDerWaalsContact O-OG 3.07Å; T157-S159 PolarHBondContact O-N 2.92Å; T157-S159 PolarHBondContact OG1-N 3.27Å; T157-S159 PolarHBondContact OG1-O 2.78Å; T157-S159 PolarHBondContact OG1-OG 3.09Å; S159-L161 PolarHBondContact O-N 2.99Å; S159-L161 WeakPolarHBondContact OG-CB 3.31Å; S159-L161 PolarHBondContact OG-N 3.48Å; S159-C181 VanDerWaalsContact O-CA 3.25Å; S159-C181 WeakPolarHBondContact O-CA 3.24Å; S159-C181 WeakPolarHBondContact O-CB 3.46Å
160A85.9Confident91.6Very high43 Ų4340.1 Ų40.136%0.35520%0.204SC..SBendtrans-6811.1171.800000114.9G180A160-G180 VanDerWaalsContact CA-O 3.26Å; A160-G180 WeakPolarHBondContact CA-O 3.27Å
161L85.7Confident91.3Very high38 Ų3843 Ų4320%0.19922%0.218CC..  trans-104.8133.1178.6-56.8179.8000110.1T157 S159T157-L161 WeakPolarHBondContact CB-O 3.18Å; T157-L161 WeakPolarHBondContact CG2-O 3.37Å; T157-L161 PolarHBondContact N-O 3.45Å; T157-L161 PolarHBondContact OG1-O 2.98Å; S159-L161 PolarHBondContact O-N 2.99Å; S159-L161 WeakPolarHBondContact OG-CB 3.31Å; S159-L161 PolarHBondContact OG-N 3.48Å
162F89.4Confident90.9Very high7 Ų743.2 Ų43.23%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-134.8163.8161.267.3-87.2000108.4L154 A155 V164 W175 I178 C182 F196 L207L154-F162 HydrophobicContact CD1-CB 4.3Å; L154-F162 HydrophobicContact CD1-CD2 3.59Å; L154-F162 HydrophobicContact CD1-CE2 4.33Å; L154-F162 HydrophobicContact CD1-CG 4.28Å; A155-F162 WeakPolarHBondContact O-CA 3.48Å; F162-V164 HydrophobicContact CE2-CG2 4.48Å; F162-W175 HydrophobicContact CD2-CB 4.38Å; F162-W175 HydrophobicContact CE1-CB 4.09Å; F162-W175 HydrophobicContact CE2-CB 3.77Å; F162-W175 AromaticContact CE2-CD1 3.92Å; F162-W175 AromaticContact CE2-CG 3.86Å; F162-W175 HydrophobicContact CE2-CG 3.86Å; F162-W175 HydrophobicContact CZ-CB 3.61Å; F162-W175 HydrophobicContact CZ-CG 4.09Å; F162-I178 HydrophobicContact CE1-CD1 4.34Å; F162-C182 HydrophobicContact CB-CB 4.03Å; F162-C182 HydrophobicContact CD1-CB 3.87Å; F162-C182 HydrophobicContact CG-CB 4.06Å; F162-F196 HydrophobicContact CE1-CD2 4.5Å; F162-F196 AromaticContact CE1-CE2 3.86Å; F162-F196 HydrophobicContact CE1-CE2 3.86Å; F162-F196 HydrophobicContact CE1-CZ 4.18Å; F162-F196 HydrophobicContact CZ-CD2 4.46Å; F162-F196 HydrophobicContact CZ-CE1 4.33Å; F162-F196 AromaticContact CZ-CE2 3.85Å; F162-F196 HydrophobicContact CZ-CE2 3.85Å; F162-F196 AromaticContact CZ-CZ 3.75Å; F162-F196 HydrophobicContact CZ-CZ 3.75Å; F162-L207 HydrophobicContact CE2-CD1 4.02Å; F162-L207 HydrophobicContact CZ-CD1 4.41Å
163R89.5Confident89.9Confident43 Ų4345 Ų4516%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-129.6147.9178.2-67.5-165.5178.8-104.56.3110.8R135 V136 A155 C172R135-R163 PolarHBondContact O-NE 3.47Å; R135-R163 PolarHBondContact O-NH2 3.34Å; R135-R163 VanDerWaalsContact O-NH2 3.14Å; V136-R163 WeakPolarHBondContact O-CD 3.42Å; V136-R163 PolarHBondContact O-NE 2.86Å; A155-R163 PolarHBondContact N-O 2.77Å; A155-R163 PolarHBondContact O-N 3.31Å; R163-C172 HydrophobicContact CB-CB 4.41Å; R163-C172 PolarHBondContact NH1-SG 3.28Å
164V92.1Very high88.7Confident6 Ų651.9 Ų51.94%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-110.5118.2163-175.20000106.7H152 I153 F162 E173 W187 L194 L207 F209H152-V164 HydrophobicContact CB-CG1 3.84Å; I153-V164 CarbonylContact O-C 3.56Å; I153-V164 VanDerWaalsContact O-CA 3.32Å; I153-V164 WeakPolarHBondContact O-CA 3.39Å; F162-V164 HydrophobicContact CE2-CG2 4.48Å; V164-E173 PolarHBondContact O-N 3.15Å; V164-W187 HydrophobicContact CG1-CH2 4.02Å; V164-W187 HydrophobicContact CG1-CZ2 4.36Å; V164-L194 HydrophobicContact CG2-CD2 4.06Å; V164-L207 HydrophobicContact CG2-CD1 4.09Å; V164-F209 HydrophobicContact CG1-CE1 3.94Å; V164-F209 HydrophobicContact CG1-CZ 3.98Å; V164-F209 HydrophobicContact CG2-CZ 4.45Å
165W92.5Very high87.6Confident6 Ų653.3 Ų53.32%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-94.4128.5179.8-67.379.9000109.1L133 R135 V136 H152 I153 W170 T171 C172L133-W165 HydrophobicContact CB-CH2 4.32Å; L133-W165 HydrophobicContact CB-CZ3 4.43Å; L133-W165 HydrophobicContact CD1-CE3 4.4Å; L133-W165 HydrophobicContact CD1-CZ3 4.47Å; R135-W165 HydrophobicContact CB-CH2 4.45Å; V136-W165 HydrophobicContact CG2-CZ2 4.05Å; H152-W165 CarbonylContact C-O 3.55Å; H152-W165 WeakPolarHBondContact CA-O 3.37Å; H152-W165 PolarHBondContact ND1-O 2.69Å; I153-W165 HydrophobicContact CB-CB 4.4Å; I153-W165 PolarHBondContact N-O 2.77Å; I153-W165 PolarHBondContact O-N 2.84Å; W165-W170 VanDerWaalsContact CZ3-O 3.3Å; W165-W170 WeakPolarHBondContact CZ3-O 3.37Å; W165-T171 CarbonylContact C-O 3.52Å; W165-T171 WeakPolarHBondContact CA-O 3.35Å; W165-C172 HydrophobicContact CD2-CB 3.47Å; W165-C172 VanDerWaalsContact CD2-CB 3.47Å; W165-C172 HydrophobicContact CE3-CB 3.6Å; W165-C172 HydrophobicContact CG-CB 3.91Å; W165-C172 HydrophobicContact CH2-CB 4.21Å; W165-C172 VanDerWaalsContact CH2-SG 3.58Å; W165-C172 HydrophobicContact CZ2-CB 4.09Å; W165-C172 HydrophobicContact CZ3-CB 3.97Å
166E91.6Very high85.8Confident50 Ų5057 Ų5723%0.23428%0.283CS..EExtended strand (participates in β ladder)trans-75.7133.5160.9-171.1-70.1138.100108.4S151 R168 M169 W170 T171S151-E166 WeakPolarHBondContact O-CA 3.04Å; E166-R168 VanDerWaalsContact CD-N 3.27Å; E166-R168 WeakPolarHBondContact OE1-CA 3.44Å; E166-R168 WeakPolarHBondContact OE1-CB 3.43Å; E166-R168 PolarHBondContact OE1-N 2.87Å; E166-R168 PolarHBondContact OE2-N 2.95Å; E166-M169 PolarHBondContact OE2-N 3.43Å; E166-W170 CarbonylContact O-C 3.59Å; E166-W170 WeakPolarHBondContact O-CA 3.16Å; E166-W170 PolarHBondContact O-N 3.15Å; E166-W170 VanDerWaalsContact O-N 3.09Å; E166-T171 PolarHBondContact N-O 2.86Å; E166-T171 PolarHBondContact O-N 2.91Å
167T93.8Very high84Confident24 Ų2463.1 Ų63.115%0.14732%0.324CS..THydrogen-bonded Turntrans-96.3-14.7-164.959.10000115.2W146 G150 S151 I153 W170W146-T167 HydrophobicContact CZ2-CG2 4.18Å; G150-T167 WeakPolarHBondContact O-CG2 3.21Å; G150-T167 PolarHBondContact O-OG1 2.98Å; S151-T167 PolarHBondContact O-N 2.89Å; S151-T167 PolarHBondContact O-OG1 3.09Å; I153-T167 HydrophobicContact CD1-CG2 3.94Å; I153-T167 HydrophobicContact CG1-CG2 3.72Å; T167-W170 HydrophobicContact CG2-CH2 4.35Å; T167-W170 HydrophobicContact CG2-CZ3 4.26Å; T167-W170 PolarHBondContact O-NE1 3.19Å
168R90.8Very high82.8Confident223 Ų22364 Ų6484%0.84233%0.329SS*.THydrogen-bonded Turntrans-73.3-42.1178.1-169.7-179.9-179.3168.51.3111.7E166E166-R168 VanDerWaalsContact CD-N 3.27Å; E166-R168 WeakPolarHBondContact OE1-CA 3.44Å; E166-R168 WeakPolarHBondContact OE1-CB 3.43Å; E166-R168 PolarHBondContact OE1-N 2.87Å; E166-R168 PolarHBondContact OE2-N 2.95Å
169M90.6Very high81.9Confident149 Ų14969.4 Ų69.473%0.73435%0.345SS*.THydrogen-bonded Turntrans-113-1.4-179.7-63.2-174.567.500112.4E166 T171E166-M169 PolarHBondContact OE2-N 3.43Å; M169-T171 HydrophobicContact CB-CG2 3.92Å; M169-T171 PolarHBondContact O-N 2.97Å
170W92.8Very high81.5Confident59 Ų5969 Ų6922%0.22335%0.346CS..THydrogen-bonded Turntrans54.140.3-176.5-65.5105.1000112.2L109 V111 M120 V122 L133 I153 W165 E166 T167L109-W170 HydrophobicContact CD1-CZ2 4.03Å; V111-W170 HydrophobicContact CG2-CH2 4.18Å; M120-W170 HydrophobicContact CE-CZ3 3.93Å; V122-W170 HydrophobicContact CB-CZ2 4.45Å; V122-W170 HydrophobicContact CG1-CH2 4.14Å; V122-W170 HydrophobicContact CG1-CZ2 3.72Å; V122-W170 HydrophobicContact CG2-CH2 3.67Å; V122-W170 HydrophobicContact CG2-CZ2 3.87Å; V122-W170 HydrophobicContact CG2-CZ3 4.05Å; L133-W170 HydrophobicContact CD1-CB 4.25Å; L133-W170 HydrophobicContact CD1-CD2 3.53Å; L133-W170 HydrophobicContact CD1-CE3 3.11Å; L133-W170 HydrophobicContact CD1-CG 4.05Å; L133-W170 HydrophobicContact CD1-CH2 4.29Å; L133-W170 HydrophobicContact CD1-CZ3 3.52Å; L133-W170 HydrophobicContact CD2-CB 4.02Å; L133-W170 HydrophobicContact CD2-CG 4.21Å; I153-W170 HydrophobicContact CD1-CH2 3.77Å; I153-W170 HydrophobicContact CD1-CZ3 3.8Å; W165-W170 VanDerWaalsContact CZ3-O 3.3Å; W165-W170 WeakPolarHBondContact CZ3-O 3.37Å; E166-W170 CarbonylContact O-C 3.59Å; E166-W170 WeakPolarHBondContact O-CA 3.16Å; E166-W170 PolarHBondContact O-N 3.15Å; E166-W170 VanDerWaalsContact O-N 3.09Å; T167-W170 HydrophobicContact CG2-CH2 4.35Å; T167-W170 HydrophobicContact CG2-CZ3 4.26Å; T167-W170 PolarHBondContact O-NE1 3.19Å
171T90.1Very high81.6Confident77 Ų7767.9 Ų67.947%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-90.1150.8173.261.80000109.2W165 E166 M169W165-T171 CarbonylContact C-O 3.52Å; W165-T171 WeakPolarHBondContact CA-O 3.35Å; E166-T171 PolarHBondContact N-O 2.86Å; E166-T171 PolarHBondContact O-N 2.91Å; M169-T171 HydrophobicContact CB-CG2 3.92Å; M169-T171 PolarHBondContact O-N 2.97Å
172C83.9Confident81.8Confident36 Ų3666.1 Ų66.124%0.24333%0.327CS..EExtended strand (participates in β ladder)trans-134.9142.3179.257.30000112.3R163 W165R163-C172 HydrophobicContact CB-CB 4.41Å; R163-C172 PolarHBondContact NH1-SG 3.28Å; W165-C172 HydrophobicContact CD2-CB 3.47Å; W165-C172 VanDerWaalsContact CD2-CB 3.47Å; W165-C172 HydrophobicContact CE3-CB 3.6Å; W165-C172 HydrophobicContact CG-CB 3.91Å; W165-C172 HydrophobicContact CH2-CB 4.21Å; W165-C172 VanDerWaalsContact CH2-SG 3.58Å; W165-C172 HydrophobicContact CZ2-CB 4.09Å; W165-C172 HydrophobicContact CZ3-CB 3.97Å
173E74.6Confident81.9Confident77 Ų7768.3 Ų68.336%0.3634%0.337SS..EExtended strand (participates in β ladder)trans-94.7135.1168.2-64.1-176.6168.500108.5V164 W175V164-E173 PolarHBondContact O-N 3.15Å; E173-W175 HydrophobicContact CB-CZ2 4.25Å; E173-W175 WeakPolarHBondContact OE2-CZ2 3.3Å
174R70.9Confident82.1Confident145 Ų14566.6 Ų66.655%0.54733%0.331SS..EExtended strand (participates in β ladder)trans-84.7131.3169.2178.9179.4174.2174.7-1.4107.4P176R174-P176 WeakPolarHBondContact O-CD 3.27Å
175W70.6Confident82.3Confident30 Ų3066.5 Ų66.511%0.11433%0.332CS..EExtended strand (participates in β ladder)trans-105.295.4174.5-63.789.4000109.5F162 E173 L207 P219F162-W175 HydrophobicContact CD2-CB 4.38Å; F162-W175 HydrophobicContact CE1-CB 4.09Å; F162-W175 HydrophobicContact CE2-CB 3.77Å; F162-W175 AromaticContact CE2-CD1 3.92Å; F162-W175 AromaticContact CE2-CG 3.86Å; F162-W175 HydrophobicContact CE2-CG 3.86Å; F162-W175 HydrophobicContact CZ-CB 3.61Å; F162-W175 HydrophobicContact CZ-CG 4.09Å; E173-W175 HydrophobicContact CB-CZ2 4.25Å; E173-W175 WeakPolarHBondContact OE2-CZ2 3.3Å; W175-L207 HydrophobicContact CD2-CD1 4.12Å; W175-L207 HydrophobicContact CD2-CD2 4.33Å; W175-L207 HydrophobicContact CE3-CD1 4.44Å; W175-L207 HydrophobicContact CE3-CD2 3.82Å; W175-L207 HydrophobicContact CH2-CD2 4.39Å; W175-L207 HydrophobicContact CZ3-CD2 3.86Å; W175-P219 HydrophobicContact CH2-CB 3.33Å; W175-P219 VanDerWaalsContact CH2-CD 3.48Å; W175-P219 HydrophobicContact CH2-CG 3.44Å; W175-P219 VanDerWaalsContact CH2-CG 3.44Å; W175-P219 VanDerWaalsContact CH2-O 3.22Å; W175-P219 WeakPolarHBondContact CH2-O 3.28Å; W175-P219 HydrophobicContact CZ2-CB 3.93Å; W175-P219 HydrophobicContact CZ2-CG 3.49Å; W175-P219 VanDerWaalsContact CZ2-CG 3.49Å; W175-P219 HydrophobicContact CZ3-CB 4.03Å; W175-P219 HydrophobicContact CZ3-CG 4.5Å; W175-P219 WeakPolarHBondContact CZ3-O 3.45Å
176P57.7Low82.5Confident78 Ų7866.8 Ų66.851%0.50634%0.335SS..  trans-78.4169.9168.133.3-32.9000110.5R174R174-P176 WeakPolarHBondContact O-CD 3.27Å
177C54.2Low82.8Confident128 Ų12865.2 Ų65.287%0.86533%0.327SS*.  trans98.913.2163.8-52.80000118.6
178I66.3Low82.9Confident20 Ų2064.1 Ų64.110%0.10332%0.32CS..  trans-117.4131.5167.5-47.4172.8000109.3F162 G180 F196 V198 Y205 A222F162-I178 HydrophobicContact CE1-CD1 4.34Å; I178-G180 PolarHBondContact O-N 2.95Å; I178-F196 HydrophobicContact CD1-CE2 3.38Å; I178-F196 HydrophobicContact CD1-CZ 3.34Å; I178-V198 HydrophobicContact CB-CG2 4.3Å; I178-V198 HydrophobicContact CG2-CB 4.09Å; I178-V198 HydrophobicContact CG2-CG1 4.08Å; I178-V198 HydrophobicContact CG2-CG2 3.54Å; I178-Y205 HydrophobicContact CD1-CD1 4.11Å; I178-Y205 HydrophobicContact CD1-CD2 4.34Å; I178-Y205 HydrophobicContact CD1-CE1 4.24Å; I178-Y205 HydrophobicContact CD1-CE2 4.46Å; I178-Y205 HydrophobicContact CD1-CG 4.17Å; I178-Y205 HydrophobicContact CG2-CE2 3.92Å; I178-A222 HydrophobicContact CD1-CB 3.95Å
179K70.1Confident83Confident182 Ų18255.7 Ų55.779%0.79130%0.295SS*.SBendtrans-79.8103.5-179.9-68.9-179.1-179.2176.30108.1V198K179-V198 WeakPolarHBondContact O-CG1 3.47Å
180G78.4Confident83.1Confident28 Ų2853.3 Ų53.329%0.28929%0.285SS..SBendtrans120.216617700000113.1A160 I178 V198A160-G180 VanDerWaalsContact CA-O 3.26Å; A160-G180 WeakPolarHBondContact CA-O 3.27Å; I178-G180 PolarHBondContact O-N 2.95Å; G180-V198 VanDerWaalsContact C-CG1 3.42Å
181C87.5Confident83Confident19 Ų1950.7 Ų50.713%0.12828%0.276CS..  trans-80.7142.8-176.665.50000112T157 P158 S159 Q183 V198 Q199T157-C181 WeakPolarHBondContact O-CB 3.2Å; P158-C181 WeakPolarHBondContact O-CB 3.13Å; S159-C181 VanDerWaalsContact O-CA 3.25Å; S159-C181 WeakPolarHBondContact O-CA 3.24Å; S159-C181 WeakPolarHBondContact O-CB 3.46Å; C181-Q183 PolarHBondContact O-N 3.28Å; C181-Q183 VanDerWaalsContact O-N 3.16Å; C181-V198 WeakPolarHBondContact O-CA 3.49Å; C181-Q199 PolarHBondContact O-N 2.79Å; C181-Q199 VanDerWaalsContact SG-CB 3.54Å; C181-Q199 PolarHBondContact SG-OE1 2.85Å
182C91.6Very high83Confident2 Ų248.6 Ų48.61%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-69.4110.8173.4170.70000109.2S156 F162 F196 T197S156-C182 WeakPolarHBondContact CB-O 3.26Å; S156-C182 PolarHBondContact OG-O 2.9Å; F162-C182 HydrophobicContact CB-CB 4.03Å; F162-C182 HydrophobicContact CD1-CB 3.87Å; F162-C182 HydrophobicContact CG-CB 4.06Å; C182-F196 HydrophobicContact CB-CD2 4.46Å; C182-T197 CarbonylContact C-O 3.6Å; C182-T197 WeakPolarHBondContact CA-O 3.37Å
183Q90.6Very high83.5Confident53 Ų5349.2 Ų49.225%0.24826%0.262CS..EExtended strand (participates in β ladder)trans-84.7-42.7-170.8177.2168.3-14.100112.6C181 T197 Q199 I246C181-Q183 PolarHBondContact O-N 3.28Å; C181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-T197 PolarHBondContact N-O 2.89Å; Q183-Q199 HydrophobicContact CB-CB 4.38Å; Q183-I246 PolarHBondContact NE2-O 2.98Å
184S93.7Very high84.4Confident6 Ų645.6 Ų45.64%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-150.8159.5179.5-174.30000110.1F196 T197S184-F196 CarbonylContact O-C 3.58Å; S184-F196 VanDerWaalsContact O-CA 3.23Å; S184-F196 WeakPolarHBondContact O-CA 3.2Å; S184-F196 WeakPolarHBondContact O-CB 3.39Å; S184-T197 PolarHBondContact N-OG1 2.91Å; S184-T197 PolarHBondContact O-N 2.77Å
185G95.8Very high85.7Confident5 Ų538.7 Ų38.75%0.05222%0.219CC..EExtended strand (participates in β ladder)trans-159.5150.4172.700000113.3F143 L195F143-G185 WeakPolarHBondContact CZ-O 3.47Å; G185-L195 CarbonylContact C-O 3.59Å; G185-L195 WeakPolarHBondContact CA-O 3.49Å
186C97.1Very high86.9Confident12 Ų1237.2 Ų37.28%0.08121%0.213CC..EExtended strand (participates in β ladder)trans-136.6137.9175.4660000110.7L195 L249C186-L195 PolarHBondContact N-O 3.06Å; C186-L195 PolarHBondContact O-N 2.83Å; C186-L249 HydrophobicContact CB-CB 4.24Å; C186-L249 VanDerWaalsContact SG-CB 3.54Å
187W96.9Very high88.6Confident16 Ų1633.6 Ų33.66%0.06119%0.189CC..EExtended strand (participates in β ladder)trans-80.3147.6175.1-66.693.1000111S145 P148 H152 L154 V164 R193 L194 F209S145-W187 PolarHBondContact O-NE1 3.31Å; P148-W187 VanDerWaalsContact CD-CB 3.5Å; P148-W187 HydrophobicContact CG-CB 4.15Å; H152-W187 HydrophobicContact CB-CH2 3.43Å; H152-W187 VanDerWaalsContact CB-CH2 3.43Å; H152-W187 HydrophobicContact CB-CZ2 3.84Å; H152-W187 HydrophobicContact CB-CZ3 4.24Å; L154-W187 HydrophobicContact CB-CZ2 4.47Å; V164-W187 HydrophobicContact CG1-CH2 4.02Å; V164-W187 HydrophobicContact CG1-CZ2 4.36Å; W187-R193 CarbonylContact C-O 3.5Å; W187-R193 WeakPolarHBondContact CA-O 3.41Å; W187-L194 HydrophobicContact CD2-CB 4.14Å; W187-L194 HydrophobicContact CD2-CD1 3.95Å; W187-L194 HydrophobicContact CE3-CB 3.88Å; W187-L194 HydrophobicContact CG-CD1 4.14Å; W187-L194 HydrophobicContact CH2-CB 4.13Å; W187-L194 HydrophobicContact CH2-CD2 4.19Å; W187-L194 HydrophobicContact CZ2-CB 4.39Å; W187-L194 HydrophobicContact CZ2-CD1 4.32Å; W187-L194 HydrophobicContact CZ2-CD2 3.97Å; W187-L194 HydrophobicContact CZ2-CG 4.47Å; W187-L194 HydrophobicContact CZ3-CB 3.89Å; W187-F209 HydrophobicContact CE3-CE2 4.33Å; W187-F209 HydrophobicContact CH2-CD2 4.48Å; W187-F209 HydrophobicContact CH2-CE1 4.29Å; W187-F209 AromaticContact CH2-CE2 3.71Å; W187-F209 HydrophobicContact CH2-CE2 3.71Å; W187-F209 AromaticContact CH2-CZ 3.6Å; W187-F209 HydrophobicContact CH2-CZ 3.6Å; W187-F209 AromaticContact CZ3-CD2 3.78Å; W187-F209 HydrophobicContact CZ3-CD2 3.78Å; W187-F209 HydrophobicContact CZ3-CE1 4.47Å; W187-F209 AromaticContact CZ3-CE2 3.32Å; W187-F209 HydrophobicContact CZ3-CE2 3.32Å; W187-F209 AromaticContact CZ3-CZ 3.73Å; W187-F209 HydrophobicContact CZ3-CZ 3.73Å
188S95.9Very high90.5Very high1 Ų127.6 Ų27.61%0.00715%0.149CC..  trans-63.3147.8163.858.90000109.4P148 D190 G191 S192 R193 W251P148-S188 WeakPolarHBondContact CG-O 3.36Å; S188-D190 VanDerWaalsContact CB-OD1 3.31Å; S188-D190 WeakPolarHBondContact CB-OD1 3.38Å; S188-D190 PolarHBondContact O-N 2.99Å; S188-D190 VanDerWaalsContact O-N 3.13Å; S188-D190 PolarHBondContact OG-OD1 2.88Å; S188-G191 PolarHBondContact O-N 2.83Å; S188-S192 PolarHBondContact OG-N 2.96Å; S188-R193 PolarHBondContact N-O 2.89Å; S188-R193 PolarHBondContact OG-N 2.86Å; S188-R193 PolarHBondContact OG-O 2.86Å; S188-W251 VanDerWaalsContact CB-CZ3 3.49Å
189P94Very high91.7Very high47 Ų4731.9 Ų31.931%0.30517%0.169SC..THydrogen-bonded Turntrans-59.5-26.8-178.4-2937.8000114.7G191 D252 P253P189-G191 VanDerWaalsContact C-N 3.29Å; P189-D252 WeakPolarHBondContact CG-O 3.23Å; P189-P253 VanDerWaalsContact CB-O 3.26Å; P189-P253 WeakPolarHBondContact CB-O 3.41Å
190D91.8Very high92.6Very high98 Ų9825.8 Ų25.852%0.52416%0.157SC..THydrogen-bonded Turntrans-82.4-1.3175.565.78.1000113.9S188 S192S188-D190 VanDerWaalsContact CB-OD1 3.31Å; S188-D190 WeakPolarHBondContact CB-OD1 3.38Å; S188-D190 PolarHBondContact O-N 2.99Å; S188-D190 VanDerWaalsContact O-N 3.13Å; S188-D190 PolarHBondContact OG-OD1 2.88Å; D190-S192 PolarHBondContact O-N 3.02Å; D190-S192 VanDerWaalsContact O-N 3.16Å; D190-S192 WeakPolarHBondContact OD1-CB 3.41Å; D190-S192 PolarHBondContact OD1-N 2.8Å; D190-S192 PolarHBondContact OD1-OG 2.75Å; D190-S192 PolarHBondContact OD2-OG 2.76Å; D190-S192 VanDerWaalsContact OD2-OG 3.11Å
191G92Very high93.3Very high4 Ų427.9 Ų27.94%0.04116%0.16CC..SBendtrans71.3-1.7-178.100000115.1S188 P189 R193S188-G191 PolarHBondContact O-N 2.83Å; P189-G191 VanDerWaalsContact C-N 3.29Å; G191-R193 VanDerWaalsContact C-N 3.31Å; G191-R193 PolarHBondContact O-N 2.87Å
192S90.5Very high93.7Very high34 Ų3430 Ų3024%0.23817%0.168CC..SBendtrans-76.1-17.3-174.772.70000113.9S188 D190 T208 F209S188-S192 PolarHBondContact OG-N 2.96Å; D190-S192 PolarHBondContact O-N 3.02Å; D190-S192 VanDerWaalsContact O-N 3.16Å; D190-S192 WeakPolarHBondContact OD1-CB 3.41Å; D190-S192 PolarHBondContact OD1-N 2.8Å; D190-S192 PolarHBondContact OD1-OG 2.75Å; D190-S192 PolarHBondContact OD2-OG 2.76Å; D190-S192 VanDerWaalsContact OD2-OG 3.11Å; S192-T208 WeakPolarHBondContact O-CA 3.39Å; S192-F209 PolarHBondContact O-N 2.81Å
193R92.9Very high93.8Very high49 Ų4930.8 Ų30.819%0.18517%0.173CC..EExtended strand (participates in β ladder)trans-138145.5-176.3-62.2174.4-172.5-81.1-2.5111.7W187 S188 G191 L207 T208W187-R193 CarbonylContact C-O 3.5Å; W187-R193 WeakPolarHBondContact CA-O 3.41Å; S188-R193 PolarHBondContact N-O 2.89Å; S188-R193 PolarHBondContact OG-N 2.86Å; S188-R193 PolarHBondContact OG-O 2.86Å; G191-R193 VanDerWaalsContact C-N 3.31Å; G191-R193 PolarHBondContact O-N 2.87Å; R193-L207 CarbonylContact C-O 3.58Å; R193-L207 WeakPolarHBondContact CA-O 3.43Å; R193-T208 HydrophobicContact CG-CG2 4.32Å; R193-T208 PolarHBondContact NH1-OG1 3.39Å
194L95Very high94.1Very high0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-117.4114.9166.9172.260.7000108.1L154 V164 W187 A206 L207 F209L154-L194 HydrophobicContact CB-CD2 3.94Å; L154-L194 HydrophobicContact CD1-CD2 4.1Å; L154-L194 HydrophobicContact CD2-CD1 4.01Å; L154-L194 HydrophobicContact CD2-CD2 4.03Å; L154-L194 HydrophobicContact CD2-CG 4.49Å; L154-L194 HydrophobicContact CG-CD2 4.22Å; V164-L194 HydrophobicContact CG2-CD2 4.06Å; W187-L194 HydrophobicContact CD2-CB 4.14Å; W187-L194 HydrophobicContact CD2-CD1 3.95Å; W187-L194 HydrophobicContact CE3-CB 3.88Å; W187-L194 HydrophobicContact CG-CD1 4.14Å; W187-L194 HydrophobicContact CH2-CB 4.13Å; W187-L194 HydrophobicContact CH2-CD2 4.19Å; W187-L194 HydrophobicContact CZ2-CB 4.39Å; W187-L194 HydrophobicContact CZ2-CD1 4.32Å; W187-L194 HydrophobicContact CZ2-CD2 3.97Å; W187-L194 HydrophobicContact CZ2-CG 4.47Å; W187-L194 HydrophobicContact CZ3-CB 3.89Å; L194-A206 CarbonylContact O-C 3.52Å; L194-A206 WeakPolarHBondContact O-CA 3.35Å; L194-L207 HydrophobicContact CB-CB 4.4Å; L194-L207 HydrophobicContact CD2-CD1 4.39Å; L194-L207 PolarHBondContact N-O 2.89Å; L194-L207 PolarHBondContact O-N 3.1Å; L194-F209 HydrophobicContact CB-CE2 3.84Å; L194-F209 HydrophobicContact CB-CZ 4.44Å
195L96.7Very high94.2Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-86.6140.3166.9-57.3-176.1000109.3G185 C186 I204 Y205 A206 V225 L249 W251 L258 F286G185-L195 CarbonylContact C-O 3.59Å; G185-L195 WeakPolarHBondContact CA-O 3.49Å; C186-L195 PolarHBondContact N-O 3.06Å; C186-L195 PolarHBondContact O-N 2.83Å; L195-I204 HydrophobicContact CB-CG2 4.09Å; L195-I204 HydrophobicContact CD1-CG2 4.41Å; L195-I204 HydrophobicContact CD2-CG2 4.31Å; L195-I204 HydrophobicContact CG-CG2 4.49Å; L195-Y205 CarbonylContact C-O 3.56Å; L195-Y205 VanDerWaalsContact CA-O 3.26Å; L195-Y205 WeakPolarHBondContact CA-O 3.37Å; L195-A206 HydrophobicContact CD2-CB 3.59Å; L195-V225 HydrophobicContact CD2-CG2 3.97Å; L195-L249 HydrophobicContact CB-CD1 3.89Å; L195-W251 HydrophobicContact CD1-CD2 4.43Å; L195-W251 HydrophobicContact CD1-CE3 3.69Å; L195-W251 HydrophobicContact CD1-CH2 3.99Å; L195-W251 HydrophobicContact CD1-CZ3 3.46Å; L195-W251 VanDerWaalsContact CD1-CZ3 3.46Å; L195-W251 HydrophobicContact CD2-CZ3 4.29Å; L195-W251 HydrophobicContact CG-CE3 4Å; L195-W251 HydrophobicContact CG-CH2 4.26Å; L195-W251 HydrophobicContact CG-CZ3 3.5Å; L195-L258 HydrophobicContact CD1-CD1 4.13Å; L195-L258 HydrophobicContact CD1-CD2 3.74Å; L195-F286 HydrophobicContact CD1-CZ 4.24Å; L195-F286 HydrophobicContact CD2-CE1 4.03Å; L195-F286 HydrophobicContact CD2-CZ 4.08Å
196F95.7Very high94.1Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-151.4160.9176.369.5-80.1000111.7F162 I178 C182 S184 V198 Y205 L207 A222F162-F196 HydrophobicContact CE1-CD2 4.5Å; F162-F196 AromaticContact CE1-CE2 3.86Å; F162-F196 HydrophobicContact CE1-CE2 3.86Å; F162-F196 HydrophobicContact CE1-CZ 4.18Å; F162-F196 HydrophobicContact CZ-CD2 4.46Å; F162-F196 HydrophobicContact CZ-CE1 4.33Å; F162-F196 AromaticContact CZ-CE2 3.85Å; F162-F196 HydrophobicContact CZ-CE2 3.85Å; F162-F196 AromaticContact CZ-CZ 3.75Å; F162-F196 HydrophobicContact CZ-CZ 3.75Å; I178-F196 HydrophobicContact CD1-CE2 3.38Å; I178-F196 HydrophobicContact CD1-CZ 3.34Å; C182-F196 HydrophobicContact CB-CD2 4.46Å; S184-F196 CarbonylContact O-C 3.58Å; S184-F196 VanDerWaalsContact O-CA 3.23Å; S184-F196 WeakPolarHBondContact O-CA 3.2Å; S184-F196 WeakPolarHBondContact O-CB 3.39Å; F196-V198 HydrophobicContact CD2-CG2 4.28Å; F196-V198 HydrophobicContact CE2-CG2 4.07Å; F196-Y205 HydrophobicContact CE1-CG 4.4Å; F196-Y205 HydrophobicContact CE2-CD2 4.06Å; F196-Y205 HydrophobicContact CE2-CG 4.06Å; F196-Y205 HydrophobicContact CZ-CD2 4.35Å; F196-Y205 AromaticContact CZ-CG 3.87Å; F196-Y205 HydrophobicContact CZ-CG 3.87Å; F196-Y205 PolarHBondContact N-O 2.79Å; F196-Y205 PolarHBondContact O-N 3.36Å; F196-L207 HydrophobicContact CE1-CD1 4.4Å; F196-L207 HydrophobicContact CE1-CG 3.92Å; F196-A222 HydrophobicContact CE1-CB 4.17Å; F196-A222 HydrophobicContact CZ-CB 3.85Å
197T95Very high93.8Very high1 Ų128.7 Ų28.71%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-121.9154.3-179.864.70000110.2C182 Q183 S184 I246 L249C182-T197 CarbonylContact C-O 3.6Å; C182-T197 WeakPolarHBondContact CA-O 3.37Å; Q183-T197 PolarHBondContact N-O 2.89Å; S184-T197 PolarHBondContact N-OG1 2.91Å; S184-T197 PolarHBondContact O-N 2.77Å; T197-I246 HydrophobicContact CG2-CB 3.85Å; T197-I246 HydrophobicContact CG2-CD1 3.79Å; T197-I246 HydrophobicContact CG2-CG1 4.47Å; T197-I246 HydrophobicContact CG2-CG2 3.66Å; T197-L249 HydrophobicContact CG2-CD1 3.73Å; T197-L249 HydrophobicContact CG2-CD2 4.08Å; T197-L249 HydrophobicContact CG2-CG 3.87Å
198V93Very high93.4Very high2 Ų230.7 Ų30.71%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-117.7135.6177.1173.60000109.6I178 K179 G180 C181 F196 G200 E201 Y205I178-V198 HydrophobicContact CB-CG2 4.3Å; I178-V198 HydrophobicContact CG2-CB 4.09Å; I178-V198 HydrophobicContact CG2-CG1 4.08Å; I178-V198 HydrophobicContact CG2-CG2 3.54Å; K179-V198 WeakPolarHBondContact O-CG1 3.47Å; G180-V198 VanDerWaalsContact C-CG1 3.42Å; C181-V198 WeakPolarHBondContact O-CA 3.49Å; F196-V198 HydrophobicContact CD2-CG2 4.28Å; F196-V198 HydrophobicContact CE2-CG2 4.07Å; V198-G200 PolarHBondContact O-N 2.97Å; V198-E201 HydrophobicContact CB-CB 4.34Å; V198-E201 HydrophobicContact CB-CG 4.2Å; V198-E201 HydrophobicContact CG1-CG 4.11Å; V198-E201 PolarHBondContact O-N 2.84Å; V198-E201 VanDerWaalsContact O-N 3.09Å; V198-Y205 HydrophobicContact CB-CE2 4.36Å; V198-Y205 HydrophobicContact CG2-CD2 4.25Å; V198-Y205 HydrophobicContact CG2-CE2 4.11Å
199Q91.3Very high92.9Very high111 Ų11131.9 Ų31.952%0.51918%0.178SC..THydrogen-bonded Turntrans-59.3128.1-177.9-172.8177.813.200110.9C181 Q183 E201C181-Q199 PolarHBondContact O-N 2.79Å; C181-Q199 VanDerWaalsContact SG-CB 3.54Å; C181-Q199 PolarHBondContact SG-OE1 2.85Å; Q183-Q199 HydrophobicContact CB-CB 4.38Å; Q199-E201 VanDerWaalsContact C-N 3.3Å
200G89.4Confident91.7Very high54 Ų5432.8 Ų32.856%0.55719%0.186SC*.THydrogen-bonded Turntrans85.1-6.1-179.600000114.9V198V198-G200 PolarHBondContact O-N 2.97Å
201E92.7Very high90.1Very high72 Ų7232 Ų3234%0.33620%0.201SC..  trans-98.4151.8174.1-64.8-72.116700110.4V198 Q199 V203V198-E201 HydrophobicContact CB-CB 4.34Å; V198-E201 HydrophobicContact CB-CG 4.2Å; V198-E201 HydrophobicContact CG1-CG 4.11Å; V198-E201 PolarHBondContact O-N 2.84Å; V198-E201 VanDerWaalsContact O-N 3.09Å; Q199-E201 VanDerWaalsContact C-N 3.3Å; E201-V203 HydrophobicContact CB-CG2 4.32Å
202M95.1Very high87.8Confident63 Ų6334.9 Ų34.931%0.3122%0.221SC..  trans-106.321.1-178.2-53.9179-17700112L228 E230M202-L228 WeakPolarHBondContact O-CA 3.48Å; M202-L228 WeakPolarHBondContact O-CB 3.21Å; M202-L228 PolarHBondContact O-N 2.99Å; M202-E230 HydrophobicContact SD-CG 4.46Å
203V95.4Very high85.4Confident18 Ų1839.9 Ų39.911%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-120.5150.2-175.2-60.50000111.8E201 Y205 V224 A226 D227 I246E201-V203 HydrophobicContact CB-CG2 4.32Å; V203-Y205 HydrophobicContact CG2-CD2 4.08Å; V203-Y205 HydrophobicContact CG2-CE1 4.28Å; V203-Y205 HydrophobicContact CG2-CE2 3.38Å; V203-Y205 VanDerWaalsContact CG2-CZ 3.49Å; V203-V224 HydrophobicContact CB-CG1 3.94Å; V203-V224 HydrophobicContact CB-CG2 4.45Å; V203-V224 HydrophobicContact CG1-CG1 4.1Å; V203-V224 HydrophobicContact CG2-CG2 4.25Å; V203-A226 CarbonylContact C-O 3.56Å; V203-A226 VanDerWaalsContact CA-O 3.25Å; V203-A226 WeakPolarHBondContact CA-O 3.4Å; V203-A226 WeakPolarHBondContact CB-O 3.37Å; V203-D227 HydrophobicContact CG1-CB 4.39Å; V203-I246 WeakPolarHBondContact O-CD1 3.48Å
204I96.8Very high83.2Confident0 Ų041.4 Ų41.40%028%0.283CS..EExtended strand (participates in β ladder)trans-97126.9168.8-58.5177.1000108.1L195 V224 V225 A226 L228 I246 L249 L258 V260 L288L195-I204 HydrophobicContact CB-CG2 4.09Å; L195-I204 HydrophobicContact CD1-CG2 4.41Å; L195-I204 HydrophobicContact CD2-CG2 4.31Å; L195-I204 HydrophobicContact CG-CG2 4.49Å; I204-V224 WeakPolarHBondContact O-CA 3.42Å; I204-V225 HydrophobicContact CB-CG2 4.05Å; I204-V225 HydrophobicContact CG2-CG2 3.73Å; I204-V225 WeakPolarHBondContact O-CG2 3.43Å; I204-V225 PolarHBondContact O-N 3.17Å; I204-A226 HydrophobicContact CB-CB 4.19Å; I204-A226 HydrophobicContact CD1-CB 4.15Å; I204-A226 HydrophobicContact CG1-CB 4.3Å; I204-A226 PolarHBondContact N-O 2.91Å; I204-L228 HydrophobicContact CD1-CD1 3.91Å; I204-L228 HydrophobicContact CG1-CD1 4.04Å; I204-I246 HydrophobicContact CG1-CD1 3.7Å; I204-L249 HydrophobicContact CD1-CD2 3.87Å; I204-L249 HydrophobicContact CG1-CD2 4.32Å; I204-L249 HydrophobicContact CG2-CD1 4.26Å; I204-L258 HydrophobicContact CD1-CD2 4.24Å; I204-V260 HydrophobicContact CD1-CG1 4.38Å; I204-V260 HydrophobicContact CD1-CG2 3.92Å; I204-L288 HydrophobicContact CD1-CD1 4.2Å
205Y94.9Very high80.5Confident31 Ų3146.5 Ų46.512%0.12231%0.31CS..EExtended strand (participates in β ladder)trans-97.1153172.4-65.5-86.2000110.9I178 L195 F196 V198 V203 A222 V223 V224I178-Y205 HydrophobicContact CD1-CD1 4.11Å; I178-Y205 HydrophobicContact CD1-CD2 4.34Å; I178-Y205 HydrophobicContact CD1-CE1 4.24Å; I178-Y205 HydrophobicContact CD1-CE2 4.46Å; I178-Y205 HydrophobicContact CD1-CG 4.17Å; I178-Y205 HydrophobicContact CG2-CE2 3.92Å; L195-Y205 CarbonylContact C-O 3.56Å; L195-Y205 VanDerWaalsContact CA-O 3.26Å; L195-Y205 WeakPolarHBondContact CA-O 3.37Å; F196-Y205 HydrophobicContact CE1-CG 4.4Å; F196-Y205 HydrophobicContact CE2-CD2 4.06Å; F196-Y205 HydrophobicContact CE2-CG 4.06Å; F196-Y205 HydrophobicContact CZ-CD2 4.35Å; F196-Y205 AromaticContact CZ-CG 3.87Å; F196-Y205 HydrophobicContact CZ-CG 3.87Å; F196-Y205 PolarHBondContact N-O 2.79Å; F196-Y205 PolarHBondContact O-N 3.36Å; V198-Y205 HydrophobicContact CB-CE2 4.36Å; V198-Y205 HydrophobicContact CG2-CD2 4.25Å; V198-Y205 HydrophobicContact CG2-CE2 4.11Å; V203-Y205 HydrophobicContact CG2-CD2 4.08Å; V203-Y205 HydrophobicContact CG2-CE1 4.28Å; V203-Y205 HydrophobicContact CG2-CE2 3.38Å; V203-Y205 VanDerWaalsContact CG2-CZ 3.49Å; Y205-A222 HydrophobicContact CD1-CB 4.29Å; Y205-V223 CarbonylContact C-O 3.48Å; Y205-V223 VanDerWaalsContact CA-O 3.3Å; Y205-V223 WeakPolarHBondContact CA-O 3.41Å; Y205-V224 HydrophobicContact CD1-CG2 3.87Å; Y205-V224 HydrophobicContact CE1-CG2 3.55Å
206A93.4Very high77.8Confident2 Ų252.9 Ų52.92%0.01735%0.348CS..EExtended strand (participates in β ladder)trans-128.2133172.100000111.4L194 L195 A222 V223 V225L194-A206 CarbonylContact O-C 3.52Å; L194-A206 WeakPolarHBondContact O-CA 3.35Å; L195-A206 HydrophobicContact CD2-CB 3.59Å; A206-A222 WeakPolarHBondContact O-CA 3.44Å; A206-V223 PolarHBondContact N-O 3Å; A206-V223 PolarHBondContact O-N 3.33Å; A206-V225 HydrophobicContact CB-CB 4.44Å; A206-V225 HydrophobicContact CB-CG1 3.49Å; A206-V225 VanDerWaalsContact CB-CG1 3.49Å; A206-V225 HydrophobicContact CB-CG2 4.08Å
207L91.1Very high75.4Confident0 Ų059.3 Ų59.30%038%0.377CS..EExtended strand (participates in β ladder)trans-98.8138158.7-64.6175.5000108.7F162 V164 W175 R193 L194 F196 F209 P219 A222F162-L207 HydrophobicContact CE2-CD1 4.02Å; F162-L207 HydrophobicContact CZ-CD1 4.41Å; V164-L207 HydrophobicContact CG2-CD1 4.09Å; W175-L207 HydrophobicContact CD2-CD1 4.12Å; W175-L207 HydrophobicContact CD2-CD2 4.33Å; W175-L207 HydrophobicContact CE3-CD1 4.44Å; W175-L207 HydrophobicContact CE3-CD2 3.82Å; W175-L207 HydrophobicContact CH2-CD2 4.39Å; W175-L207 HydrophobicContact CZ3-CD2 3.86Å; R193-L207 CarbonylContact C-O 3.58Å; R193-L207 WeakPolarHBondContact CA-O 3.43Å; L194-L207 HydrophobicContact CB-CB 4.4Å; L194-L207 HydrophobicContact CD2-CD1 4.39Å; L194-L207 PolarHBondContact N-O 2.89Å; L194-L207 PolarHBondContact O-N 3.1Å; F196-L207 HydrophobicContact CE1-CD1 4.4Å; F196-L207 HydrophobicContact CE1-CG 3.92Å; L207-F209 HydrophobicContact CB-CE2 3.92Å; L207-F209 HydrophobicContact CB-CZ 4.12Å; L207-P219 HydrophobicContact CB-CB 4.26Å; L207-P219 HydrophobicContact CD2-CB 4.27Å; L207-A222 HydrophobicContact CD2-CB 3.83Å
208T89.2Confident73.2Confident57 Ų5760.5 Ų60.535%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-116.8127.5177.8-50.90000109.9S192 R193 P219S192-T208 WeakPolarHBondContact O-CA 3.39Å; R193-T208 HydrophobicContact CG-CG2 4.32Å; R193-T208 PolarHBondContact NH1-OG1 3.39Å; T208-P219 VanDerWaalsContact O-CA 3.29Å; T208-P219 WeakPolarHBondContact O-CA 3.3Å; T208-P219 VanDerWaalsContact O-CB 3.24Å; T208-P219 WeakPolarHBondContact O-CB 3.44Å
209F84.8Confident71.2Confident26 Ų2661.1 Ų61.111%0.11439%0.393CS..  trans-102.9119.5-178.5-58.7-96.5000108.5H152 V164 W187 S192 L194 L207 G211 P219H152-F209 AromaticContact CD2-CD1 3.75Å; H152-F209 AromaticContact CD2-CE1 3.99Å; H152-F209 AromaticContact NE2-CD1 3.69Å; V164-F209 HydrophobicContact CG1-CE1 3.94Å; V164-F209 HydrophobicContact CG1-CZ 3.98Å; V164-F209 HydrophobicContact CG2-CZ 4.45Å; W187-F209 HydrophobicContact CE3-CE2 4.33Å; W187-F209 HydrophobicContact CH2-CD2 4.48Å; W187-F209 HydrophobicContact CH2-CE1 4.29Å; W187-F209 AromaticContact CH2-CE2 3.71Å; W187-F209 HydrophobicContact CH2-CE2 3.71Å; W187-F209 AromaticContact CH2-CZ 3.6Å; W187-F209 HydrophobicContact CH2-CZ 3.6Å; W187-F209 AromaticContact CZ3-CD2 3.78Å; W187-F209 HydrophobicContact CZ3-CD2 3.78Å; W187-F209 HydrophobicContact CZ3-CE1 4.47Å; W187-F209 AromaticContact CZ3-CE2 3.32Å; W187-F209 HydrophobicContact CZ3-CE2 3.32Å; W187-F209 AromaticContact CZ3-CZ 3.73Å; W187-F209 HydrophobicContact CZ3-CZ 3.73Å; S192-F209 PolarHBondContact O-N 2.81Å; L194-F209 HydrophobicContact CB-CE2 3.84Å; L194-F209 HydrophobicContact CB-CZ 4.44Å; L207-F209 HydrophobicContact CB-CE2 3.92Å; L207-F209 HydrophobicContact CB-CZ 4.12Å; F209-G211 PolarHBondContact O-N 3.48Å; F209-P219 HydrophobicContact CD1-CG 3.55Å; F209-P219 HydrophobicContact CE1-CG 3.38Å; F209-P219 HydrophobicContact CE2-CG 4.45Å; F209-P219 HydrophobicContact CG-CG 4.15Å; F209-P219 HydrophobicContact CZ-CG 3.87Å
210S70.1Confident69.6Low67 Ų6764.3 Ų64.347%0.46941%0.408SS..  trans-82115.8177.454.70000110.4S212 K217S210-S212 VanDerWaalsContact C-N 3.3Å; S210-S212 PolarHBondContact O-N 2.92Å; S210-K217 PolarHBondContact OG-O 2.87Å
211G57.1Low69Low81 Ų8166.6 Ų66.684%0.83541%0.411SS*.  trans-72.463-172.800000116.3F209F209-G211 PolarHBondContact O-N 3.48Å
212S43.5Very low68.8Low65 Ų6564.4 Ų64.446%0.45541%0.405SS..  trans-105.8103.3164.2-54.70000109.8S210 G214 L215S210-S212 VanDerWaalsContact C-N 3.3Å; S210-S212 PolarHBondContact O-N 2.92Å; S212-G214 PolarHBondContact O-N 3.21Å; S212-G214 VanDerWaalsContact O-N 3.08Å; S212-L215 PolarHBondContact O-N 2.89Å
213P41.4Very low68.5Low138 Ų13865.5 Ų65.590%0.89642%0.415SS*.THydrogen-bonded Turntrans-61.7116.8173.923.1-29.7000109.4
214G45.5Very low68.5Low82 Ų8268.1 Ų68.185%0.84543%0.431SS*.THydrogen-bonded Turntrans97.1-4.4177.700000116.1S212S212-G214 PolarHBondContact O-N 3.21Å; S212-G214 VanDerWaalsContact O-N 3.08Å
215L39Very low68.4Low107 Ų10770 Ų7056%0.5644%0.442SS*.  trans-107103.7167.4-146.580.9000108.3S212 K217S212-L215 PolarHBondContact O-N 2.89Å; L215-K217 PolarHBondContact O-N 2.92Å
216V40.6Very low68.5Low133 Ų13369.2 Ų69.281%0.80644%0.442SS*.  trans-68.981.4171.1-172.50000108
217K44.2Very low68.6Low136 Ų13674 Ų7459%0.59147%0.468SS*.  trans-105.697.2152.2-82.3-172.1175.2-179.50105.7S210 L215S210-K217 PolarHBondContact OG-O 2.87Å; L215-K217 PolarHBondContact O-N 2.92Å
218G48.4Very low68.8Low25 Ų2575 Ų7526%0.25847%0.472SS..  trans-56.1162.1171.800000111.3
219P51.3Low69.1Low15 Ų1575 Ų7510%0.09748%0.475CS..  trans-49.8139.6174.8-19.323.3000112.8W175 L207 T208 F209 V221W175-P219 HydrophobicContact CH2-CB 3.33Å; W175-P219 VanDerWaalsContact CH2-CD 3.48Å; W175-P219 HydrophobicContact CH2-CG 3.44Å; W175-P219 VanDerWaalsContact CH2-CG 3.44Å; W175-P219 VanDerWaalsContact CH2-O 3.22Å; W175-P219 WeakPolarHBondContact CH2-O 3.28Å; W175-P219 HydrophobicContact CZ2-CB 3.93Å; W175-P219 HydrophobicContact CZ2-CG 3.49Å; W175-P219 VanDerWaalsContact CZ2-CG 3.49Å; W175-P219 HydrophobicContact CZ3-CB 4.03Å; W175-P219 HydrophobicContact CZ3-CG 4.5Å; W175-P219 WeakPolarHBondContact CZ3-O 3.45Å; L207-P219 HydrophobicContact CB-CB 4.26Å; L207-P219 HydrophobicContact CD2-CB 4.27Å; T208-P219 VanDerWaalsContact O-CA 3.29Å; T208-P219 WeakPolarHBondContact O-CA 3.3Å; T208-P219 VanDerWaalsContact O-CB 3.24Å; T208-P219 WeakPolarHBondContact O-CB 3.44Å; F209-P219 HydrophobicContact CD1-CG 3.55Å; F209-P219 HydrophobicContact CE1-CG 3.38Å; F209-P219 HydrophobicContact CE2-CG 4.45Å; F209-P219 HydrophobicContact CG-CG 4.15Å; F209-P219 HydrophobicContact CZ-CG 3.87Å; P219-V221 VanDerWaalsContact C-N 3.34Å; P219-V221 PolarHBondContact O-N 2.91Å
220Q59Low69.6Low179 Ų17977.8 Ų77.884%0.83649%0.488SS*.  trans-82.32.6-166.4-87.5-176.9-8.200116.7
221V76.2Confident70.6Confident102 Ų10278.2 Ų78.262%0.61849%0.488SS*.  trans138.6149.3178.2160.90000108.4P219 V223P219-V221 VanDerWaalsContact C-N 3.34Å; P219-V221 PolarHBondContact O-N 2.91Å; V221-V223 PolarHBondContact O-N 2.94Å
222A87.1Confident72.3Confident26 Ų2677.9 Ų77.922%0.21547%0.47CS..  trans-69.5124.2171.100000110.8I178 F196 Y205 A206 L207I178-A222 HydrophobicContact CD1-CB 3.95Å; F196-A222 HydrophobicContact CE1-CB 4.17Å; F196-A222 HydrophobicContact CZ-CB 3.85Å; Y205-A222 HydrophobicContact CD1-CB 4.29Å; A206-A222 WeakPolarHBondContact O-CA 3.44Å; L207-A222 HydrophobicContact CD2-CB 3.83Å
223V90.6Very high74.4Confident85 Ų8579.3 Ų79.352%0.51547%0.468SS..EExtended strand (participates in β ladder)trans-109.6137.3-178.5-179.30000109.7Y205 A206 V221 V225Y205-V223 CarbonylContact C-O 3.48Å; Y205-V223 VanDerWaalsContact CA-O 3.3Å; Y205-V223 WeakPolarHBondContact CA-O 3.41Å; A206-V223 PolarHBondContact N-O 3Å; A206-V223 PolarHBondContact O-N 3.33Å; V221-V223 PolarHBondContact O-N 2.94Å; V223-V225 PolarHBondContact O-N 3.25Å
224V93.7Very high76.7Confident74 Ų7478.9 Ų78.945%0.44846%0.459SS..EExtended strand (participates in β ladder)trans-71.4124.7170.6175.10000109.2V203 I204 Y205V203-V224 HydrophobicContact CB-CG1 3.94Å; V203-V224 HydrophobicContact CB-CG2 4.45Å; V203-V224 HydrophobicContact CG1-CG1 4.1Å; V203-V224 HydrophobicContact CG2-CG2 4.25Å; I204-V224 WeakPolarHBondContact O-CA 3.42Å; Y205-V224 HydrophobicContact CD1-CG2 3.87Å; Y205-V224 HydrophobicContact CE1-CG2 3.55Å
225V95.4Very high78.3Confident38 Ų3877.6 Ų77.623%0.2344%0.437CS..EExtended strand (participates in β ladder)trans-116.1-13.5-177.5-66.30000113.9L195 I204 A206 V223 F286 L288L195-V225 HydrophobicContact CD2-CG2 3.97Å; I204-V225 HydrophobicContact CB-CG2 4.05Å; I204-V225 HydrophobicContact CG2-CG2 3.73Å; I204-V225 WeakPolarHBondContact O-CG2 3.43Å; I204-V225 PolarHBondContact O-N 3.17Å; A206-V225 HydrophobicContact CB-CB 4.44Å; A206-V225 HydrophobicContact CB-CG1 3.49Å; A206-V225 VanDerWaalsContact CB-CG1 3.49Å; A206-V225 HydrophobicContact CB-CG2 4.08Å; V223-V225 PolarHBondContact O-N 3.25Å; V225-F286 HydrophobicContact CB-CD1 4.24Å; V225-F286 HydrophobicContact CB-CE1 3.87Å; V225-F286 HydrophobicContact CG1-CD1 3.9Å; V225-F286 HydrophobicContact CG1-CE1 3.91Å; V225-F286 HydrophobicContact CG2-CE1 4.04Å; V225-L288 HydrophobicContact CG2-CD1 4.07Å
226A96.5Very high80.3Confident15 Ų1579 Ų7912%0.12445%0.453CS..EExtended strand (participates in β ladder)trans-152.2144.5168.500000110.3V203 I204 L288V203-A226 CarbonylContact C-O 3.56Å; V203-A226 VanDerWaalsContact CA-O 3.25Å; V203-A226 WeakPolarHBondContact CA-O 3.4Å; V203-A226 WeakPolarHBondContact CB-O 3.37Å; I204-A226 HydrophobicContact CB-CB 4.19Å; I204-A226 HydrophobicContact CD1-CB 4.15Å; I204-A226 HydrophobicContact CG1-CB 4.3Å; I204-A226 PolarHBondContact N-O 2.91Å; A226-L288 HydrophobicContact CB-CD1 3.87Å
227D95.7Very high82.2Confident104 Ų10480.5 Ų80.556%0.55646%0.456SS*.EExtended strand (participates in β ladder)trans-112.3123.8168.8-173.2-19000108V203 S229V203-D227 HydrophobicContact CG1-CB 4.39Å; D227-S229 VanDerWaalsContact OD1-CB 3.25Å; D227-S229 WeakPolarHBondContact OD1-CB 3.3Å; D227-S229 PolarHBondContact OD1-N 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.18Å
228L96Very high84.1Confident19 Ų1975.8 Ų75.810%0.09945%0.446CS..  trans-116.230.4-177.2-58.6168.7000110.2M202 I204 G243 G244 I246 V260 L262 F278M202-L228 WeakPolarHBondContact O-CA 3.48Å; M202-L228 WeakPolarHBondContact O-CB 3.21Å; M202-L228 PolarHBondContact O-N 2.99Å; I204-L228 HydrophobicContact CD1-CD1 3.91Å; I204-L228 HydrophobicContact CG1-CD1 4.04Å; L228-G243 CarbonylContact O-C 3.59Å; L228-G243 WeakPolarHBondContact O-CA 3.49Å; L228-G244 PolarHBondContact O-N 3.27Å; L228-I246 HydrophobicContact CD1-CD1 3.66Å; L228-I246 HydrophobicContact CD1-CG1 3.86Å; L228-V260 HydrophobicContact CD1-CG1 3.83Å; L228-L262 HydrophobicContact CB-CD2 4.39Å; L228-L262 HydrophobicContact CD1-CD2 4.13Å; L228-F278 HydrophobicContact CD2-CE1 4.36Å; L228-F278 HydrophobicContact CD2-CE2 4.24Å; L228-F278 HydrophobicContact CD2-CZ 3.5Å; L228-F278 VanDerWaalsContact CD2-CZ 3.5Å
229S95.5Very high86.1Confident59 Ų5978.5 Ų78.541%0.41346%0.455SS..  trans-49.2143170.1-68.70000111.4D227 T231D227-S229 VanDerWaalsContact OD1-CB 3.25Å; D227-S229 WeakPolarHBondContact OD1-CB 3.3Å; D227-S229 PolarHBondContact OD1-N 3.48Å; D227-S229 PolarHBondContact OD1-OG 3.18Å; S229-T231 PolarHBondContact O-N 3.42Å; S229-T231 PolarHBondContact O-OG1 3.38Å
230E94.5Very high88Confident83 Ų8379.7 Ų79.739%0.38846%0.46SS..  trans-61.3133.1-174.6-65.4178.6-175.700112.5M202 I241 V242 R271M202-E230 HydrophobicContact SD-CG 4.46Å; E230-I241 HydrophobicContact CB-CG2 3.88Å; E230-I241 HydrophobicContact CG-CG2 4.25Å; E230-V242 CarbonylContact C-O 3.11Å; E230-V242 WeakPolarHBondContact CA-O 2.77Å; E230-R271 IonicContact OE1-CZ 3.62Å; E230-R271 IonicContact OE1-NH2 2.74Å; E230-R271 PolarHBondContact OE1-NH2 2.86Å; E230-R271 IonicContact OE2-CZ 3.63Å; E230-R271 IonicContact OE2-NE 3.13Å; E230-R271 IonicContact OE2-NH2 2.62Å; E230-R271 PolarHBondContact OE2-NH2 2.67Å
231T91.5Very high89.6Confident76 Ų7672.8 Ų72.847%0.46643%0.428SS..EExtended strand (participates in β ladder)trans-131.6133.3178.6-55.90000109.1S229 F233 I241 V242S229-T231 PolarHBondContact O-N 3.42Å; S229-T231 PolarHBondContact O-OG1 3.38Å; T231-F233 HydrophobicContact CG2-CE2 4.04Å; T231-F233 HydrophobicContact CG2-CZ 4.3Å; T231-I241 WeakPolarHBondContact O-CA 3.38Å; T231-V242 PolarHBondContact N-O 2.9Å; T231-V242 PolarHBondContact O-N 3.5Å
232T93.3Very high90.3Very high75 Ų7568.4 Ų68.446%0.4640%0.402SS..EExtended strand (participates in β ladder)trans-88.9127.5175.7-50.80000110.3D239 I240 I241T232-D239 HydrophobicContact CG2-CB 3.9Å; T232-I240 CarbonylContact C-O 3.52Å; T232-I240 WeakPolarHBondContact CA-O 3.29Å; T232-I241 HydrophobicContact CG2-CG1 4.33Å
233F87.8Confident90.6Very high94 Ų9467.9 Ų67.941%0.41240%0.399SS..EExtended strand (participates in β ladder)trans-107.8122.7171.5-64.3-98000108.7T231 D239 I240 V242 F293T231-F233 HydrophobicContact CG2-CE2 4.04Å; T231-F233 HydrophobicContact CG2-CZ 4.3Å; F233-D239 WeakPolarHBondContact O-CA 3.44Å; F233-I240 HydrophobicContact CB-CG2 3.74Å; F233-I240 PolarHBondContact N-O 3.27Å; F233-I240 PolarHBondContact O-N 2.8Å; F233-V242 HydrophobicContact CD2-CB 4.11Å; F233-V242 HydrophobicContact CD2-CG2 3.94Å; F233-V242 HydrophobicContact CE2-CB 3.85Å; F233-V242 HydrophobicContact CE2-CG2 4.13Å; F233-F293 HydrophobicContact CZ-CE2 4.3Å; F233-F293 HydrophobicContact CZ-CZ 4.49Å
234N90.1Very high90.7Very high129 Ų12963.9 Ų63.969%0.6938%0.375SS*.EExtended strand (participates in β ladder)trans-82.7121.2176.1-55.592000109.5D239N234-D239 WeakPolarHBondContact CA-OD1 3.49Å; N234-D239 VanDerWaalsContact ND2-CG 3.3Å; N234-D239 PolarHBondContact ND2-OD1 3.21Å; N234-D239 PolarHBondContact ND2-OD2 2.74Å
235S78.9Confident90.8Very high55 Ų5562.4 Ų62.439%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-119.5153.1174.5-175.90000110.3D237 G238S235-D237 PolarHBondContact O-N 3.22Å; S235-D237 VanDerWaalsContact O-N 3.13Å; S235-G238 VanDerWaalsContact CB-O 3.24Å; S235-G238 WeakPolarHBondContact CB-O 3.4Å; S235-G238 PolarHBondContact N-O 3.06Å; S235-G238 CarbonylContact O-C 3.45Å; S235-G238 PolarHBondContact O-N 2.91Å
236P80.3Confident90.8Very high138 Ų13860.7 Ų60.790%0.89635%0.353SS*.THydrogen-bonded Turntrans-54-27.6171-26.635.8000113.8G238P236-G238 VanDerWaalsContact C-N 3.3Å
237D79.6Confident90.7Very high163 Ų16362.9 Ų62.987%0.87236%0.36SS*.THydrogen-bonded Turntrans-86.82.1179.3-56.9-43.1000113.4S235S235-D237 PolarHBondContact O-N 3.22Å; S235-D237 VanDerWaalsContact O-N 3.13Å
238G85.3Confident90.7Very high38 Ų3859.5 Ų59.539%0.39235%0.345SS..EExtended strand (participates in β ladder)trans122.6164.7-178.600000113.2S235 P236S235-G238 VanDerWaalsContact CB-O 3.24Å; S235-G238 WeakPolarHBondContact CB-O 3.4Å; S235-G238 PolarHBondContact N-O 3.06Å; S235-G238 CarbonylContact O-C 3.45Å; S235-G238 PolarHBondContact O-N 2.91Å; P236-G238 VanDerWaalsContact C-N 3.3Å
239D90.4Very high90.8Very high82 Ų8259 Ų5944%0.43934%0.342SS..EExtended strand (participates in β ladder)trans-71.9136.9175.1-68.5-10.9000110.1T232 F233 N234 N270T232-D239 HydrophobicContact CG2-CB 3.9Å; F233-D239 WeakPolarHBondContact O-CA 3.44Å; N234-D239 WeakPolarHBondContact CA-OD1 3.49Å; N234-D239 VanDerWaalsContact ND2-CG 3.3Å; N234-D239 PolarHBondContact ND2-OD1 3.21Å; N234-D239 PolarHBondContact ND2-OD2 2.74Å; D239-N270 WeakPolarHBondContact O-CB 3.46Å
240I90.7Very high90.9Very high40 Ų4056.9 Ų56.921%0.20533%0.327CS..EExtended strand (participates in β ladder)trans-120.4133.1172.5-175.2175.3000109.5T232 F233 V242 N270 P272T232-I240 CarbonylContact C-O 3.52Å; T232-I240 WeakPolarHBondContact CA-O 3.29Å; F233-I240 HydrophobicContact CB-CG2 3.74Å; F233-I240 PolarHBondContact N-O 3.27Å; F233-I240 PolarHBondContact O-N 2.8Å; I240-V242 HydrophobicContact CD1-CG2 4.2Å; I240-V242 HydrophobicContact CG1-CG2 4.08Å; I240-N270 CarbonylContact C-O 3.58Å; I240-N270 WeakPolarHBondContact CA-O 3.27Å; I240-P272 HydrophobicContact CD1-CG 3.58Å; I240-P272 HydrophobicContact CG1-CG 4.01Å
241I92.5Very high91.1Very high33 Ų3353.8 Ų53.817%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-100.8124.8175.2-58.3170.5000107.5E230 T231 T232 N270 R271E230-I241 HydrophobicContact CB-CG2 3.88Å; E230-I241 HydrophobicContact CG-CG2 4.25Å; T231-I241 WeakPolarHBondContact O-CA 3.38Å; T232-I241 HydrophobicContact CG2-CG1 4.33Å; I241-N270 PolarHBondContact N-O 2.93Å; I241-R271 HydrophobicContact CB-CG 3.88Å; I241-R271 HydrophobicContact CD1-CG 3.89Å; I241-R271 HydrophobicContact CG1-CG 4.34Å; I241-R271 HydrophobicContact CG2-CG 4.39Å
242V91.9Very high91.4Very high11 Ų1150.2 Ų50.27%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-123.3140.6179.3-177.50000109.5E230 T231 F233 I240 L262 I274 F293E230-V242 CarbonylContact C-O 3.11Å; E230-V242 WeakPolarHBondContact CA-O 2.77Å; T231-V242 PolarHBondContact N-O 2.9Å; T231-V242 PolarHBondContact O-N 3.5Å; F233-V242 HydrophobicContact CD2-CB 4.11Å; F233-V242 HydrophobicContact CD2-CG2 3.94Å; F233-V242 HydrophobicContact CE2-CB 3.85Å; F233-V242 HydrophobicContact CE2-CG2 4.13Å; I240-V242 HydrophobicContact CD1-CG2 4.2Å; I240-V242 HydrophobicContact CG1-CG2 4.08Å; V242-L262 HydrophobicContact CG1-CD1 4.15Å; V242-I274 HydrophobicContact CG1-CG2 3.97Å; V242-F293 HydrophobicContact CB-CZ 4.44Å; V242-F293 HydrophobicContact CG1-CD1 3.8Å; V242-F293 HydrophobicContact CG1-CE1 3.34Å; V242-F293 HydrophobicContact CG1-CE2 4.25Å; V242-F293 HydrophobicContact CG1-CG 4.46Å; V242-F293 HydrophobicContact CG1-CZ 3.59Å
243G92.6Very high91.5Very high14 Ų1449.4 Ų49.414%0.14429%0.286CS..  trans120.5-165.8-172.100000110.6L228L228-G243 CarbonylContact O-C 3.59Å; L228-G243 WeakPolarHBondContact O-CA 3.49Å
244G93.6Very high91.8Very high2 Ų250.4 Ų50.42%0.02129%0.287CS..  trans100.5-154177.500000114.1L228 I246L228-G244 PolarHBondContact O-N 3.27Å; G244-I246 PolarHBondContact O-N 3.19Å
245E94.4Very high92.1Very high43 Ų4344.9 Ų44.920%0.20126%0.26CS..  trans-65.5129.7-173.2-173.4-171.614200111.4K263E245-K263 HydrophobicContact CB-CB 4.15Å; E245-K263 HydrophobicContact CB-CD 4.18Å; E245-K263 VanDerWaalsContact CD-NZ 3.3Å; E245-K263 HydrophobicContact CG-CD 4.25Å; E245-K263 VanDerWaalsContact O-CB 3.31Å; E245-K263 WeakPolarHBondContact O-CB 3.33Å; E245-K263 PolarHBondContact O-N 3.3Å; E245-K263 IonicContact OE1-NZ 3.84Å; E245-K263 PolarHBondContact OE1-NZ 2.96Å; E245-K263 VanDerWaalsContact OE1-NZ 3.13Å; E245-K263 WeakPolarHBondContact OE2-CD 3.22Å; E245-K263 IonicContact OE2-NZ 3.13Å; E245-K263 PolarHBondContact OE2-NZ 2.9Å
246I95.9Very high92.9Very high1 Ų146 Ų461%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-92.7122.8-177.7-48.3159.5000110Q183 T197 V203 I204 L228 G244 L249 V260 L262Q183-I246 PolarHBondContact NE2-O 2.98Å; T197-I246 HydrophobicContact CG2-CB 3.85Å; T197-I246 HydrophobicContact CG2-CD1 3.79Å; T197-I246 HydrophobicContact CG2-CG1 4.47Å; T197-I246 HydrophobicContact CG2-CG2 3.66Å; V203-I246 WeakPolarHBondContact O-CD1 3.48Å; I204-I246 HydrophobicContact CG1-CD1 3.7Å; L228-I246 HydrophobicContact CD1-CD1 3.66Å; L228-I246 HydrophobicContact CD1-CG1 3.86Å; G244-I246 PolarHBondContact O-N 3.19Å; I246-L249 HydrophobicContact CG2-CD2 4.07Å; I246-V260 HydrophobicContact CG1-CG1 4.45Å; I246-V260 HydrophobicContact CG2-CG1 3.44Å; I246-V260 VanDerWaalsContact CG2-CG1 3.44Å; I246-L262 HydrophobicContact CG1-CD2 4.02Å
247Q94.8Very high93.7Very high62 Ų6240.7 Ų40.729%0.2922%0.221SC..EExtended strand (participates in β ladder)trans-88.7-39.8-179.6-61.5-168.4-14.700114L261 K263Q247-L261 HydrophobicContact CB-CB 4.36Å; Q247-L261 HydrophobicContact CB-CD2 3.99Å; Q247-L261 HydrophobicContact CB-CG 3.96Å; Q247-L261 PolarHBondContact N-O 2.85Å; Q247-K263 HydrophobicContact CG-CB 3.83Å; Q247-K263 HydrophobicContact CG-CG 4.49Å; Q247-K263 VanDerWaalsContact NE2-CG 3.35Å
248S96.1Very high94.6Very high32 Ų3232.9 Ų32.922%0.22418%0.18CC..EExtended strand (participates in β ladder)trans-158153.9-174.4-167.50000112.5L261S248-L261 PolarHBondContact O-N 3.48Å
249L97.8Very high95.2Very high10 Ų1031.1 Ų31.15%0.05216%0.161CC..EExtended strand (participates in β ladder)trans-122140175.9-57.7176.3000109.5C186 L195 T197 I204 I246 L258 V260C186-L249 HydrophobicContact CB-CB 4.24Å; C186-L249 VanDerWaalsContact SG-CB 3.54Å; L195-L249 HydrophobicContact CB-CD1 3.89Å; T197-L249 HydrophobicContact CG2-CD1 3.73Å; T197-L249 HydrophobicContact CG2-CD2 4.08Å; T197-L249 HydrophobicContact CG2-CG 3.87Å; I204-L249 HydrophobicContact CD1-CD2 3.87Å; I204-L249 HydrophobicContact CG1-CD2 4.32Å; I204-L249 HydrophobicContact CG2-CD1 4.26Å; I246-L249 HydrophobicContact CG2-CD2 4.07Å; L249-L258 HydrophobicContact CB-CD1 4.48Å; L249-V260 HydrophobicContact CD2-CB 4.18Å; L249-V260 HydrophobicContact CD2-CG1 3.82Å; L249-V260 HydrophobicContact CD2-CG2 3.72Å
250S98Very high95.6Very high13 Ų1327.2 Ų27.29%0.09114%0.14CC..EExtended strand (participates in β ladder)trans-137.7117.2170.7174.90000108.9A259 F307S250-A259 PolarHBondContact N-O 3.3Å; S250-A259 PolarHBondContact O-N 3.09Å; S250-F307 VanDerWaalsContact O-CE2 3.27Å; S250-F307 WeakPolarHBondContact O-CE2 3.37Å; S250-F307 WeakPolarHBondContact OG-CD2 3.46Å; S250-F307 PolarHBondContact OG-N 3.48Å
251W97.8Very high95.9Very high19 Ų1925.3 Ų25.37%0.07213%0.131CC..EExtended strand (participates in β ladder)trans-95134.8175.7-145.9-33.7000109.4S188 L195 L258 T280 F286S188-W251 VanDerWaalsContact CB-CZ3 3.49Å; L195-W251 HydrophobicContact CD1-CD2 4.43Å; L195-W251 HydrophobicContact CD1-CE3 3.69Å; L195-W251 HydrophobicContact CD1-CH2 3.99Å; L195-W251 HydrophobicContact CD1-CZ3 3.46Å; L195-W251 VanDerWaalsContact CD1-CZ3 3.46Å; L195-W251 HydrophobicContact CD2-CZ3 4.29Å; L195-W251 HydrophobicContact CG-CE3 4Å; L195-W251 HydrophobicContact CG-CH2 4.26Å; L195-W251 HydrophobicContact CG-CZ3 3.5Å; W251-L258 HydrophobicContact CB-CD1 4.08Å; W251-L258 HydrophobicContact CD2-CD1 4.31Å; W251-L258 HydrophobicContact CG-CD1 4.09Å; W251-T280 HydrophobicContact CZ2-CG2 4.05Å; W251-T280 PolarHBondContact NE1-OG1 3.37Å; W251-F286 HydrophobicContact CH2-CD2 4.4Å; W251-F286 AromaticContact CH2-CE2 3.38Å; W251-F286 HydrophobicContact CH2-CE2 3.38Å; W251-F286 AromaticContact CH2-CZ 3.64Å; W251-F286 HydrophobicContact CH2-CZ 3.64Å; W251-F286 AromaticContact CZ2-CE2 3.56Å; W251-F286 HydrophobicContact CZ2-CE2 3.56Å; W251-F286 HydrophobicContact CZ2-CZ 4.06Å
252D97.4Very high96.1Very high1 Ų123.9 Ų23.91%0.00512%0.123CC..  trans-68.7149.6176.288.2-64.2000111.6P189 R254 G255 E256 R257 F307 A315P189-D252 WeakPolarHBondContact CG-O 3.23Å; D252-R254 PolarHBondContact O-N 3.48Å; D252-R254 VanDerWaalsContact O-N 3.11Å; D252-R254 WeakPolarHBondContact OD2-CA 3.26Å; D252-R254 VanDerWaalsContact OD2-CB 3.27Å; D252-R254 WeakPolarHBondContact OD2-CB 3.36Å; D252-R254 PolarHBondContact OD2-N 3.16Å; D252-G255 PolarHBondContact O-N 2.94Å; D252-G255 WeakPolarHBondContact OD1-CA 3.45Å; D252-G255 PolarHBondContact OD1-N 2.99Å; D252-G255 VanDerWaalsContact OD1-N 3.09Å; D252-G255 PolarHBondContact OD2-N 3.43Å; D252-E256 PolarHBondContact OD1-N 2.88Å; D252-R257 HydrophobicContact CB-CB 4.23Å; D252-R257 PolarHBondContact N-O 3.13Å; D252-R257 PolarHBondContact OD1-N 2.77Å; D252-F307 VanDerWaalsContact CA-CD2 3.46Å; D252-F307 HydrophobicContact CB-CB 4.25Å; D252-F307 HydrophobicContact CB-CD1 3.79Å; D252-F307 HydrophobicContact CB-CD2 3.71Å; D252-F307 HydrophobicContact CB-CE1 3.99Å; D252-F307 HydrophobicContact CB-CE2 3.93Å; D252-F307 HydrophobicContact CB-CG 3.65Å; D252-F307 HydrophobicContact CB-CZ 4.08Å; D252-F307 VanDerWaalsContact N-CD2 3.32Å; D252-A315 HydrophobicContact CB-CB 3.77Å
253P95.4Very high96.2Very high58 Ų5827.8 Ų27.838%0.37714%0.14SC..THydrogen-bonded Turntrans-61.4-19.8-178.3-22.430.2000115.3P189 P309P189-P253 VanDerWaalsContact CB-O 3.26Å; P189-P253 WeakPolarHBondContact CB-O 3.41Å; P253-P309 WeakPolarHBondContact CG-O 3.4Å
254R95Very high96.1Very high115 Ų11527.9 Ų27.943%0.43414%0.14SC..THydrogen-bonded Turntrans-88-12.7176.4-59-177.5167.9-168.1-2.5112.6D252 E256 F311 Q312D252-R254 PolarHBondContact O-N 3.48Å; D252-R254 VanDerWaalsContact O-N 3.11Å; D252-R254 WeakPolarHBondContact OD2-CA 3.26Å; D252-R254 VanDerWaalsContact OD2-CB 3.27Å; D252-R254 WeakPolarHBondContact OD2-CB 3.36Å; D252-R254 PolarHBondContact OD2-N 3.16Å; R254-E256 HydrophobicContact CB-CG 4.47Å; R254-F311 PolarHBondContact NH2-O 3.06Å; R254-Q312 PolarHBondContact NH2-O 2.73Å
255G95.1Very high96Very high12 Ų1230.9 Ų30.912%0.12416%0.156CC..SBendtrans74.528.3177.600000112.8D252 T280D252-G255 PolarHBondContact O-N 2.94Å; D252-G255 WeakPolarHBondContact OD1-CA 3.45Å; D252-G255 PolarHBondContact OD1-N 2.99Å; D252-G255 VanDerWaalsContact OD1-N 3.09Å; D252-G255 PolarHBondContact OD2-N 3.43Å; G255-T280 PolarHBondContact O-OG1 3.31Å
256E95.6Very high95.4Very high78 Ų7834.2 Ų34.236%0.36418%0.181SC..SBendtrans-107.5-17.6179.4-73.1-162.5-14100114D252 R254 K279 T280 F333D252-E256 PolarHBondContact OD1-N 2.88Å; R254-E256 HydrophobicContact CB-CG 4.47Å; E256-K279 WeakPolarHBondContact O-CA 3.49Å; E256-T280 VanDerWaalsContact CA-OG1 3.26Å; E256-T280 WeakPolarHBondContact CA-OG1 3.33Å; E256-T280 PolarHBondContact N-OG1 2.77Å; E256-T280 PolarHBondContact O-N 3.19Å; E256-F333 HydrophobicContact CB-CD2 4.38Å; E256-F333 HydrophobicContact CB-CE2 3.59Å; E256-F333 HydrophobicContact CB-CZ 3.69Å; E256-F333 HydrophobicContact CG-CD2 4.32Å; E256-F333 HydrophobicContact CG-CE2 3.92Å; E256-F333 HydrophobicContact CG-CZ 4.49Å; E256-F333 VanDerWaalsContact OE1-CD2 3.31Å; E256-F333 WeakPolarHBondContact OE1-CD2 3.33Å; E256-F333 WeakPolarHBondContact OE2-CD2 3.48Å; E256-F333 WeakPolarHBondContact OE2-CE2 3.31Å; E256-F333 WeakPolarHBondContact OE2-CG 3.5Å
257R97.5Very high94.8Very high27 Ų2737.7 Ų37.710%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-138.3134.8-177.7-64.7-63.1-179.2-69.6-8.9112D252 F278 T280 F307 F333D252-R257 HydrophobicContact CB-CB 4.23Å; D252-R257 PolarHBondContact N-O 3.13Å; D252-R257 PolarHBondContact OD1-N 2.77Å; R257-F278 VanDerWaalsContact CA-O 3.27Å; R257-F278 WeakPolarHBondContact CA-O 3.49Å; R257-T280 PolarHBondContact N-OG1 3.09Å; R257-F307 HydrophobicContact CB-CE1 4.49Å; R257-F307 HydrophobicContact CB-CZ 3.96Å; R257-F333 HydrophobicContact CG-CE1 3.9Å; R257-F333 HydrophobicContact CG-CZ 3.79Å; R257-F333 VanDerWaalsContact NH2-CE1 3.33Å
258L98.4Very high94.4Very high0 Ų035.7 Ų35.70%021%0.212CC..EExtended strand (participates in β ladder)trans-117.4126.5168.5179.173.2000108.6L195 I204 L249 W251 V260 V277 F278 T280 L288L195-L258 HydrophobicContact CD1-CD1 4.13Å; L195-L258 HydrophobicContact CD1-CD2 3.74Å; I204-L258 HydrophobicContact CD1-CD2 4.24Å; L249-L258 HydrophobicContact CB-CD1 4.48Å; W251-L258 HydrophobicContact CB-CD1 4.08Å; W251-L258 HydrophobicContact CD2-CD1 4.31Å; W251-L258 HydrophobicContact CG-CD1 4.09Å; L258-V260 HydrophobicContact CD2-CG2 3.89Å; L258-V260 HydrophobicContact CG-CG2 3.91Å; L258-V277 WeakPolarHBondContact O-CA 3.33Å; L258-F278 HydrophobicContact CB-CB 4.29Å; L258-F278 PolarHBondContact N-O 2.91Å; L258-F278 PolarHBondContact O-N 2.85Å; L258-T280 HydrophobicContact CB-CG2 3.65Å; L258-L288 HydrophobicContact CB-CD2 4.44Å; L258-L288 HydrophobicContact CD2-CD1 3.87Å; L258-L288 HydrophobicContact CD2-CD2 3.76Å; L258-L288 HydrophobicContact CD2-CG 4.49Å
259A98.6Very high93.9Very high0 Ų039.4 Ų39.40%024%0.244CC..EExtended strand (participates in β ladder)trans-101.9130.8171.100000109.2S250 I275 L305 F307 L317S250-A259 PolarHBondContact N-O 3.3Å; S250-A259 PolarHBondContact O-N 3.09Å; A259-I275 HydrophobicContact CB-CG2 3.96Å; A259-L305 HydrophobicContact CB-CD1 4.26Å; A259-F307 HydrophobicContact CB-CE2 3.86Å; A259-F307 HydrophobicContact CB-CZ 4.13Å; A259-L317 HydrophobicContact CB-CD1 3.99Å; A259-L317 HydrophobicContact CB-CD2 3.86Å
260V98.4Very high93.5Very high0 Ų042.1 Ų42.10%026%0.259CS..EExtended strand (participates in β ladder)trans-125.3115-174.4-178.20000108.5I204 L228 I246 L249 L258 L262 I275 A276 F278I204-V260 HydrophobicContact CD1-CG1 4.38Å; I204-V260 HydrophobicContact CD1-CG2 3.92Å; L228-V260 HydrophobicContact CD1-CG1 3.83Å; I246-V260 HydrophobicContact CG1-CG1 4.45Å; I246-V260 HydrophobicContact CG2-CG1 3.44Å; I246-V260 VanDerWaalsContact CG2-CG1 3.44Å; L249-V260 HydrophobicContact CD2-CB 4.18Å; L249-V260 HydrophobicContact CD2-CG1 3.82Å; L249-V260 HydrophobicContact CD2-CG2 3.72Å; L258-V260 HydrophobicContact CD2-CG2 3.89Å; L258-V260 HydrophobicContact CG-CG2 3.91Å; V260-L262 HydrophobicContact CG1-CD2 4.18Å; V260-L262 PolarHBondContact O-N 2.84Å; V260-I275 CarbonylContact O-C 3.58Å; V260-I275 VanDerWaalsContact O-CA 3.29Å; V260-I275 WeakPolarHBondContact O-CA 3.15Å; V260-A276 HydrophobicContact CB-CB 4.33Å; V260-A276 PolarHBondContact N-O 3.05Å; V260-A276 PolarHBondContact O-N 2.88Å; V260-F278 HydrophobicContact CB-CE2 4.21Å; V260-F278 HydrophobicContact CG2-CD2 3.78Å; V260-F278 HydrophobicContact CG2-CE2 3.71Å
261L97.7Very high93.2Very high1 Ų145.1 Ų45.11%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-81.5115.2176.617955000109.9Q247 S248 I275 P302 L305Q247-L261 HydrophobicContact CB-CB 4.36Å; Q247-L261 HydrophobicContact CB-CD2 3.99Å; Q247-L261 HydrophobicContact CB-CG 3.96Å; Q247-L261 PolarHBondContact N-O 2.85Å; S248-L261 PolarHBondContact O-N 3.48Å; L261-I275 HydrophobicContact CD1-CG1 4.2Å; L261-P302 HydrophobicContact CD1-CB 3.81Å; L261-P302 HydrophobicContact CD1-CG 3.52Å; L261-L305 HydrophobicContact CB-CD1 3.7Å; L261-L305 HydrophobicContact CB-CG 4.39Å
262L96.3Very high92.8Very high3 Ų345.7 Ų45.72%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-96.5134.9174.7-60.7174.7000110L228 V242 I246 V260 A273 I274 A276L228-L262 HydrophobicContact CB-CD2 4.39Å; L228-L262 HydrophobicContact CD1-CD2 4.13Å; V242-L262 HydrophobicContact CG1-CD1 4.15Å; I246-L262 HydrophobicContact CG1-CD2 4.02Å; V260-L262 HydrophobicContact CG1-CD2 4.18Å; V260-L262 PolarHBondContact O-N 2.84Å; L262-A273 WeakPolarHBondContact O-CA 3.29Å; L262-I274 HydrophobicContact CB-CG2 4.15Å; L262-I274 WeakPolarHBondContact CB-O 3.34Å; L262-I274 HydrophobicContact CD1-CG2 3.98Å; L262-I274 PolarHBondContact N-O 3.4Å; L262-I274 PolarHBondContact O-N 2.82Å; L262-A276 HydrophobicContact CD1-CB 4.03Å
263K93.6Very high92.6Very high93 Ų9346.2 Ų46.240%0.40428%0.279SS..  trans-71.6127.2177.6-177171177-172.20110E245 Q247E245-K263 HydrophobicContact CB-CB 4.15Å; E245-K263 HydrophobicContact CB-CD 4.18Å; E245-K263 VanDerWaalsContact CD-NZ 3.3Å; E245-K263 HydrophobicContact CG-CD 4.25Å; E245-K263 VanDerWaalsContact O-CB 3.31Å; E245-K263 WeakPolarHBondContact O-CB 3.33Å; E245-K263 PolarHBondContact O-N 3.3Å; E245-K263 IonicContact OE1-NZ 3.84Å; E245-K263 PolarHBondContact OE1-NZ 2.96Å; E245-K263 VanDerWaalsContact OE1-NZ 3.13Å; E245-K263 WeakPolarHBondContact OE2-CD 3.22Å; E245-K263 IonicContact OE2-NZ 3.13Å; E245-K263 PolarHBondContact OE2-NZ 2.9Å; Q247-K263 HydrophobicContact CG-CB 3.83Å; Q247-K263 HydrophobicContact CG-CG 4.49Å; Q247-K263 VanDerWaalsContact NE2-CG 3.35Å
264G91.1Very high92.6Very high15 Ų1543.8 Ų43.816%0.15526%0.262CS..  trans-85.5175167.500000112.7R271G264-R271 CarbonylContact C-O 3.53Å; G264-R271 WeakPolarHBondContact CA-O 3.11Å
265D90.1Very high92.7Very high66 Ų6638.3 Ų38.335%0.35324%0.242SC..  trans-109.7108.7168.8-176.9-9.1000109.3G267 A268 R271D265-G267 PolarHBondContact O-N 2.86Å; D265-G267 VanDerWaalsContact O-N 3.08Å; D265-G267 PolarHBondContact OD1-N 2.83Å; D265-A268 HydrophobicContact CB-CB 3.95Å; D265-A268 CarbonylContact O-C 3.57Å; D265-A268 PolarHBondContact O-N 2.97Å; D265-A268 VanDerWaalsContact O-O 3.12Å; D265-R271 HydrophobicContact CB-CB 3.94Å; D265-R271 PolarHBondContact N-O 2.79Å; D265-R271 IonicContact OD2-NH1 3.9Å
266P82.5Confident92.9Very high112 Ų11237.8 Ų37.873%0.72724%0.236SC*.THydrogen-bonded Turntrans-58.7-22.2178.7-24.234000113.8
267G84.3Confident93Very high74 Ų7434.3 Ų34.376%0.76322%0.22SC*.THydrogen-bonded Turntrans-86.8-11.6177.300000114.2D265D265-G267 PolarHBondContact O-N 2.86Å; D265-G267 VanDerWaalsContact O-N 3.08Å; D265-G267 PolarHBondContact OD1-N 2.83Å
268A86.6Confident93Very high21 Ų2133.6 Ų33.617%0.17422%0.218CC..  trans-124.1104-176.100000110.7D265 N270 R271D265-A268 HydrophobicContact CB-CB 3.95Å; D265-A268 CarbonylContact O-C 3.57Å; D265-A268 PolarHBondContact O-N 2.97Å; D265-A268 VanDerWaalsContact O-O 3.12Å; A268-N270 PolarHBondContact O-N 3.3Å; A268-N270 VanDerWaalsContact O-N 3.08Å; A268-R271 HydrophobicContact CB-CB 4.15Å; A268-R271 HydrophobicContact CB-CG 4.23Å; A268-R271 PolarHBondContact O-N 2.89Å
269A84.9Confident92.9Very high109 Ų10938.4 Ų38.490%0.90124%0.239SC*.THydrogen-bonded Turntrans-59-25.8-177.300000113.9R271A269-R271 VanDerWaalsContact C-N 3.29Å; A269-R271 PolarHBondContact O-N 2.86Å
270N88.8Confident92.8Very high68 Ų6839.1 Ų39.136%0.36424%0.243SC..THydrogen-bonded Turntrans-82.41.117664.8-20000114.1D239 I240 I241 A268 P272D239-N270 WeakPolarHBondContact O-CB 3.46Å; I240-N270 CarbonylContact C-O 3.58Å; I240-N270 WeakPolarHBondContact CA-O 3.27Å; I241-N270 PolarHBondContact N-O 2.93Å; A268-N270 PolarHBondContact O-N 3.3Å; A268-N270 VanDerWaalsContact O-N 3.08Å; N270-P272 VanDerWaalsContact C-CD 3.41Å; N270-P272 WeakPolarHBondContact O-CD 3.47Å
271R91.3Very high92.5Very high75 Ų7544.8 Ų44.828%0.28327%0.265SS..SBendtrans-124.762.2179.9-67175.4114.3-163.57.4110.9E230 I241 G264 D265 A268 A269E230-R271 IonicContact OE1-CZ 3.62Å; E230-R271 IonicContact OE1-NH2 2.74Å; E230-R271 PolarHBondContact OE1-NH2 2.86Å; E230-R271 IonicContact OE2-CZ 3.63Å; E230-R271 IonicContact OE2-NE 3.13Å; E230-R271 IonicContact OE2-NH2 2.62Å; E230-R271 PolarHBondContact OE2-NH2 2.67Å; I241-R271 HydrophobicContact CB-CG 3.88Å; I241-R271 HydrophobicContact CD1-CG 3.89Å; I241-R271 HydrophobicContact CG1-CG 4.34Å; I241-R271 HydrophobicContact CG2-CG 4.39Å; G264-R271 CarbonylContact C-O 3.53Å; G264-R271 WeakPolarHBondContact CA-O 3.11Å; D265-R271 HydrophobicContact CB-CB 3.94Å; D265-R271 PolarHBondContact N-O 2.79Å; D265-R271 IonicContact OD2-NH1 3.9Å; A268-R271 HydrophobicContact CB-CB 4.15Å; A268-R271 HydrophobicContact CB-CG 4.23Å; A268-R271 PolarHBondContact O-N 2.89Å; A269-R271 VanDerWaalsContact C-N 3.29Å; A269-R271 PolarHBondContact O-N 2.86Å
272P91Very high92Very high32 Ų3247 Ų4721%0.20828%0.28CS..  trans-69.3151.3-177.931.1-35.3000111.5I240 N270 I274I240-P272 HydrophobicContact CD1-CG 3.58Å; I240-P272 HydrophobicContact CG1-CG 4.01Å; N270-P272 VanDerWaalsContact C-CD 3.41Å; N270-P272 WeakPolarHBondContact O-CD 3.47Å; P272-I274 PolarHBondContact O-N 3.02Å
273A93.3Very high91.3Very high12 Ų1253 Ų5310%0.09931%0.312CS..  trans-67.5127.5165.400000108.8L262 E301 P302L262-A273 WeakPolarHBondContact O-CA 3.29Å; A273-E301 HydrophobicContact CB-CB 4.29Å; A273-E301 HydrophobicContact CB-CG 4.25Å; A273-P302 HydrophobicContact CB-CG 4.41Å
274I94.6Very high90.8Very high7 Ų753.1 Ų53.14%0.03632%0.323CS..EExtended strand (participates in β ladder)trans-140.8155.1-170.9-156.4168.4000110.7V242 L262 P272 F293 I294 Q295V242-I274 HydrophobicContact CG1-CG2 3.97Å; L262-I274 HydrophobicContact CB-CG2 4.15Å; L262-I274 WeakPolarHBondContact CB-O 3.34Å; L262-I274 HydrophobicContact CD1-CG2 3.98Å; L262-I274 PolarHBondContact N-O 3.4Å; L262-I274 PolarHBondContact O-N 2.82Å; P272-I274 PolarHBondContact O-N 3.02Å; I274-F293 HydrophobicContact CD1-CB 3.47Å; I274-F293 VanDerWaalsContact CD1-CB 3.47Å; I274-F293 HydrophobicContact CD1-CD1 4.39Å; I274-F293 HydrophobicContact CD1-CG 4.01Å; I274-F293 HydrophobicContact CG1-CB 3.93Å; I274-I294 WeakPolarHBondContact CG1-O 3.42Å; I274-Q295 HydrophobicContact CD1-CB 4.29Å; I274-Q295 HydrophobicContact CG1-CB 4.21Å
275I97.8Very high90.6Very high0 Ų056.6 Ų56.60%034%0.341CS..EExtended strand (participates in β ladder)trans-103.9113.8174.9-55.5156.1000107.9A259 V260 L261 V277 F293 I294 P302 L305 L317 V319A259-I275 HydrophobicContact CB-CG2 3.96Å; V260-I275 CarbonylContact O-C 3.58Å; V260-I275 VanDerWaalsContact O-CA 3.29Å; V260-I275 WeakPolarHBondContact O-CA 3.15Å; L261-I275 HydrophobicContact CD1-CG1 4.2Å; I275-V277 HydrophobicContact CG2-CG2 4.44Å; I275-F293 CarbonylContact O-C 3.58Å; I275-F293 VanDerWaalsContact O-CA 3.3Å; I275-F293 WeakPolarHBondContact O-CA 3.45Å; I275-I294 HydrophobicContact CB-CB 4.13Å; I275-I294 HydrophobicContact CD1-CB 4.36Å; I275-I294 HydrophobicContact CD1-CG2 4.11Å; I275-I294 PolarHBondContact N-O 2.99Å; I275-I294 PolarHBondContact O-N 3.15Å; I275-P302 HydrophobicContact CD1-CB 3.8Å; I275-P302 HydrophobicContact CD1-CG 4.27Å; I275-P302 HydrophobicContact CG1-CB 3.93Å; I275-P302 HydrophobicContact CG1-CG 3.97Å; I275-L305 HydrophobicContact CD1-CD2 3.41Å; I275-L305 VanDerWaalsContact CD1-CD2 3.41Å; I275-L305 HydrophobicContact CG1-CD1 4.26Å; I275-L305 HydrophobicContact CG1-CD2 3.84Å; I275-L305 HydrophobicContact CG2-CD1 4.05Å; I275-L317 HydrophobicContact CG2-CD2 4.37Å; I275-V319 HydrophobicContact CD1-CB 4.41Å; I275-V319 HydrophobicContact CD1-CG1 3.83Å; I275-V319 HydrophobicContact CD1-CG2 3.62Å
276A97.4Very high90.8Very high1 Ų154.6 Ų54.61%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-79.8133.7168.900000109.9V260 L262 F278 F293V260-A276 HydrophobicContact CB-CB 4.33Å; V260-A276 PolarHBondContact N-O 3.05Å; V260-A276 PolarHBondContact O-N 2.88Å; L262-A276 HydrophobicContact CD1-CB 4.03Å; A276-F278 HydrophobicContact CB-CE2 3.69Å; A276-F278 HydrophobicContact CB-CZ 4.18Å; A276-F293 HydrophobicContact CB-CD1 3.87Å; A276-F293 HydrophobicContact CB-CE1 3.82Å
277V98.1Very high91.4Very high5 Ų552.6 Ų52.63%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-113.8127.9-180-176.10000109L258 I275 C291 G292 I294 F331L258-V277 WeakPolarHBondContact O-CA 3.33Å; I275-V277 HydrophobicContact CG2-CG2 4.44Å; V277-C291 HydrophobicContact CG1-CB 4.4Å; V277-C291 WeakPolarHBondContact O-CA 3.12Å; V277-C291 VanDerWaalsContact O-CB 3.26Å; V277-C291 WeakPolarHBondContact O-CB 3.39Å; V277-C291 PolarHBondContact O-N 3.31Å; V277-G292 PolarHBondContact N-O 3.4Å; V277-G292 PolarHBondContact O-N 2.59Å; V277-I294 HydrophobicContact CG2-CD1 3.66Å; V277-I294 HydrophobicContact CG2-CG1 4.04Å; V277-F331 HydrophobicContact CG1-CE1 3.84Å; V277-F331 HydrophobicContact CG1-CZ 3.87Å; V277-F331 HydrophobicContact CG2-CE1 4.37Å; V277-F331 HydrophobicContact CG2-CZ 4.01Å
278F98.1Very high92Very high12 Ų1250 Ų505%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-113.2143.1176.4-61.5-96.4000109.8L228 R257 L258 V260 A276 L288 L289 P290L228-F278 HydrophobicContact CD2-CE1 4.36Å; L228-F278 HydrophobicContact CD2-CE2 4.24Å; L228-F278 HydrophobicContact CD2-CZ 3.5Å; L228-F278 VanDerWaalsContact CD2-CZ 3.5Å; R257-F278 VanDerWaalsContact CA-O 3.27Å; R257-F278 WeakPolarHBondContact CA-O 3.49Å; L258-F278 HydrophobicContact CB-CB 4.29Å; L258-F278 PolarHBondContact N-O 2.91Å; L258-F278 PolarHBondContact O-N 2.85Å; V260-F278 HydrophobicContact CB-CE2 4.21Å; V260-F278 HydrophobicContact CG2-CD2 3.78Å; V260-F278 HydrophobicContact CG2-CE2 3.71Å; A276-F278 HydrophobicContact CB-CE2 3.69Å; A276-F278 HydrophobicContact CB-CZ 4.18Å; F278-L288 HydrophobicContact CB-CB 4.34Å; F278-L288 HydrophobicContact CB-CD2 4.4Å; F278-L288 HydrophobicContact CD1-CB 3.86Å; F278-L288 HydrophobicContact CG-CB 4.25Å; F278-L289 CarbonylContact C-O 3.39Å; F278-L289 VanDerWaalsContact CA-O 3.25Å; F278-L289 WeakPolarHBondContact CA-O 3.38Å; F278-P290 HydrophobicContact CD1-CB 4.48Å; F278-P290 HydrophobicContact CD1-CG 4.28Å; F278-P290 HydrophobicContact CE1-CB 4.23Å; F278-P290 HydrophobicContact CE1-CG 3.91Å
279K97.1Very high92.4Very high101 Ų10152.9 Ų52.944%0.43929%0.29SS..EExtended strand (participates in β ladder)trans-78.6135156.2-67.3177.7-178.6174.60107.8E256 L289 C291E256-K279 WeakPolarHBondContact O-CA 3.49Å; K279-L289 HydrophobicContact CB-CB 4.25Å; K279-L289 PolarHBondContact N-O 3.19Å; K279-L289 PolarHBondContact O-N 3.35Å; K279-C291 HydrophobicContact CG-CB 4.14Å
280T96.2Very high92.9Very high15 Ų1552.8 Ų52.89%0.09228%0.28CS..EExtended strand (participates in β ladder)trans-106.1134.1178.853.60000110.4W251 G255 E256 R257 L258 L288W251-T280 HydrophobicContact CZ2-CG2 4.05Å; W251-T280 PolarHBondContact NE1-OG1 3.37Å; G255-T280 PolarHBondContact O-OG1 3.31Å; E256-T280 VanDerWaalsContact CA-OG1 3.26Å; E256-T280 WeakPolarHBondContact CA-OG1 3.33Å; E256-T280 PolarHBondContact N-OG1 2.77Å; E256-T280 PolarHBondContact O-N 3.19Å; R257-T280 PolarHBondContact N-OG1 3.09Å; L258-T280 HydrophobicContact CB-CG2 3.65Å; T280-L288 HydrophobicContact CG2-CD2 3.47Å; T280-L288 VanDerWaalsContact CG2-CD2 3.47Å
281R92.3Very high93Very high118 Ų11852.4 Ų52.445%0.44528%0.283SS..EExtended strand (participates in β ladder)trans-121.3119.3172.5-178.7-172.6-174.5-179.17.2107.5N283 P284 F286 E287R281-N283 WeakPolarHBondContact CG-O 3.28Å; R281-N283 PolarHBondContact NE-O 2.98Å; R281-P284 VanDerWaalsContact NH2-CD 3.35Å; R281-F286 CarbonylContact O-C 3.58Å; R281-F286 WeakPolarHBondContact O-CA 3.01Å; R281-E287 HydrophobicContact CB-CB 4.33Å; R281-E287 WeakPolarHBondContact CD-OE2 3.43Å; R281-E287 PolarHBondContact N-O 2.87Å; R281-E287 IonicContact NH1-OE2 2.75Å; R281-E287 PolarHBondContact NH1-OE2 3.48Å; R281-E287 PolarHBondContact O-N 2.95Å
282S86.6Confident93.1Very high47 Ų4750.3 Ų50.333%0.32929%0.285SS..  trans-94.1-19.8-178.3-580000113.9
283N81.8Confident93.3Very high129 Ų12953.6 Ų53.669%0.6930%0.296SS*.SBendtrans-139.5138.8-173.4-172.6-44.1000110.9R281R281-N283 WeakPolarHBondContact CG-O 3.28Å; R281-N283 PolarHBondContact NE-O 2.98Å
284P83.3Confident93.4Very high97 Ų9754.2 Ų54.263%0.6330%0.297SS*.SBendcis-81-19.4-0.232.3-34.2000114R281R281-P284 VanDerWaalsContact NH2-CD 3.35Å
285V87.3Confident93.2Very high88 Ų8858.8 Ų58.853%0.53332%0.318SS..SBendtrans-120.5141.6175.2-179.40000107.8E287V285-E287 HydrophobicContact CG1-CG 4.44Å; V285-E287 PolarHBondContact O-N 3.5Å
286F92.6Very high92.6Very high24 Ų2459.7 Ų59.711%0.10533%0.328CS..  trans-73.9122.6175.8177.8-107.4000110.5L195 V225 W251 R281 L288L195-F286 HydrophobicContact CD1-CZ 4.24Å; L195-F286 HydrophobicContact CD2-CE1 4.03Å; L195-F286 HydrophobicContact CD2-CZ 4.08Å; V225-F286 HydrophobicContact CB-CD1 4.24Å; V225-F286 HydrophobicContact CB-CE1 3.87Å; V225-F286 HydrophobicContact CG1-CD1 3.9Å; V225-F286 HydrophobicContact CG1-CE1 3.91Å; V225-F286 HydrophobicContact CG2-CE1 4.04Å; W251-F286 HydrophobicContact CH2-CD2 4.4Å; W251-F286 AromaticContact CH2-CE2 3.38Å; W251-F286 HydrophobicContact CH2-CE2 3.38Å; W251-F286 AromaticContact CH2-CZ 3.64Å; W251-F286 HydrophobicContact CH2-CZ 3.64Å; W251-F286 AromaticContact CZ2-CE2 3.56Å; W251-F286 HydrophobicContact CZ2-CE2 3.56Å; W251-F286 HydrophobicContact CZ2-CZ 4.06Å; R281-F286 CarbonylContact O-C 3.58Å; R281-F286 WeakPolarHBondContact O-CA 3.01Å; F286-L288 HydrophobicContact CE1-CD2 4.35Å; F286-L288 HydrophobicContact CE1-CG 4.12Å; F286-L288 HydrophobicContact CE2-CD2 4.31Å; F286-L288 HydrophobicContact CZ-CD2 3.67Å; F286-L288 HydrophobicContact CZ-CG 3.95Å
287E95.1Very high92Very high70 Ų7065 Ų6533%0.32735%0.352SS..EExtended strand (participates in β ladder)trans-137.2141-177.9-63.2173.2160.100110.9R281 V285R281-E287 HydrophobicContact CB-CB 4.33Å; R281-E287 WeakPolarHBondContact CD-OE2 3.43Å; R281-E287 PolarHBondContact N-O 2.87Å; R281-E287 IonicContact NH1-OE2 2.75Å; R281-E287 PolarHBondContact NH1-OE2 3.48Å; R281-E287 PolarHBondContact O-N 2.95Å; V285-E287 HydrophobicContact CG1-CG 4.44Å; V285-E287 PolarHBondContact O-N 3.5Å
288L96.9Very high91.3Very high19 Ų1971.2 Ų71.210%0.09939%0.392CS..EExtended strand (participates in β ladder)trans-108.3107.1169-64.9-179.2000108.3I204 V225 A226 L258 F278 T280 F286I204-L288 HydrophobicContact CD1-CD1 4.2Å; V225-L288 HydrophobicContact CG2-CD1 4.07Å; A226-L288 HydrophobicContact CB-CD1 3.87Å; L258-L288 HydrophobicContact CB-CD2 4.44Å; L258-L288 HydrophobicContact CD2-CD1 3.87Å; L258-L288 HydrophobicContact CD2-CD2 3.76Å; L258-L288 HydrophobicContact CD2-CG 4.49Å; F278-L288 HydrophobicContact CB-CB 4.34Å; F278-L288 HydrophobicContact CB-CD2 4.4Å; F278-L288 HydrophobicContact CD1-CB 3.86Å; F278-L288 HydrophobicContact CG-CB 4.25Å; T280-L288 HydrophobicContact CG2-CD2 3.47Å; T280-L288 VanDerWaalsContact CG2-CD2 3.47Å; F286-L288 HydrophobicContact CE1-CD2 4.35Å; F286-L288 HydrophobicContact CE1-CG 4.12Å; F286-L288 HydrophobicContact CE2-CD2 4.31Å; F286-L288 HydrophobicContact CZ-CD2 3.67Å; F286-L288 HydrophobicContact CZ-CG 3.95Å
289L96.4Very high90.5Very high81 Ų8174.4 Ų74.442%0.42443%0.429SS..EExtended strand (participates in β ladder)trans-99.4116.2-177.6-60.4173.5000109.4F278 K279 C291F278-L289 CarbonylContact C-O 3.39Å; F278-L289 VanDerWaalsContact CA-O 3.25Å; F278-L289 WeakPolarHBondContact CA-O 3.38Å; K279-L289 HydrophobicContact CB-CB 4.25Å; K279-L289 PolarHBondContact N-O 3.19Å; K279-L289 PolarHBondContact O-N 3.35Å; L289-C291 PolarHBondContact O-N 3.08Å
290P94.8Very high90.1Very high107 Ų10770.3 Ų70.370%0.69541%0.414SS*.EExtended strand (participates in β ladder)trans-54.8129.1177.7-22.630.8000111.1F278F278-P290 HydrophobicContact CD1-CB 4.48Å; F278-P290 HydrophobicContact CD1-CG 4.28Å; F278-P290 HydrophobicContact CE1-CB 4.23Å; F278-P290 HydrophobicContact CE1-CG 3.91Å
291C91.8Very high89.9Confident61 Ų6171.9 Ų71.941%0.41242%0.42SS..EExtended strand (participates in β ladder)trans-113.3-28.8-178.4-170.40000112.4V277 K279 L289V277-C291 HydrophobicContact CG1-CB 4.4Å; V277-C291 WeakPolarHBondContact O-CA 3.12Å; V277-C291 VanDerWaalsContact O-CB 3.26Å; V277-C291 WeakPolarHBondContact O-CB 3.39Å; V277-C291 PolarHBondContact O-N 3.31Å; K279-C291 HydrophobicContact CG-CB 4.14Å; L289-C291 PolarHBondContact O-N 3.08Å
292G93.2Very high90.1Very high31 Ų3166.4 Ų66.432%0.3240%0.4SS..EExtended strand (participates in β ladder)trans154.7-170.4-179.900000112V277V277-G292 PolarHBondContact N-O 3.4Å; V277-G292 PolarHBondContact O-N 2.59Å
293F93.9Very high90.4Very high101 Ų10170.4 Ų70.444%0.44341%0.408SS..EExtended strand (participates in β ladder)trans-126.6150-178.8-54.4-74000111.1F233 V242 I274 I275 A276F233-F293 HydrophobicContact CZ-CE2 4.3Å; F233-F293 HydrophobicContact CZ-CZ 4.49Å; V242-F293 HydrophobicContact CB-CZ 4.44Å; V242-F293 HydrophobicContact CG1-CD1 3.8Å; V242-F293 HydrophobicContact CG1-CE1 3.34Å; V242-F293 HydrophobicContact CG1-CE2 4.25Å; V242-F293 HydrophobicContact CG1-CG 4.46Å; V242-F293 HydrophobicContact CG1-CZ 3.59Å; I274-F293 HydrophobicContact CD1-CB 3.47Å; I274-F293 VanDerWaalsContact CD1-CB 3.47Å; I274-F293 HydrophobicContact CD1-CD1 4.39Å; I274-F293 HydrophobicContact CD1-CG 4.01Å; I274-F293 HydrophobicContact CG1-CB 3.93Å; I275-F293 CarbonylContact O-C 3.58Å; I275-F293 VanDerWaalsContact O-CA 3.3Å; I275-F293 WeakPolarHBondContact O-CA 3.45Å; A276-F293 HydrophobicContact CB-CD1 3.87Å; A276-F293 HydrophobicContact CB-CE1 3.82Å
294I95.4Very high91.1Very high25 Ų2566.9 Ų66.913%0.12839%0.389CS..EExtended strand (participates in β ladder)trans-117.3125.8171.8-65.1166.4000107.9I274 I275 V277 L317 W321 I329 F331I274-I294 WeakPolarHBondContact CG1-O 3.42Å; I275-I294 HydrophobicContact CB-CB 4.13Å; I275-I294 HydrophobicContact CD1-CB 4.36Å; I275-I294 HydrophobicContact CD1-CG2 4.11Å; I275-I294 PolarHBondContact N-O 2.99Å; I275-I294 PolarHBondContact O-N 3.15Å; V277-I294 HydrophobicContact CG2-CD1 3.66Å; V277-I294 HydrophobicContact CG2-CG1 4.04Å; I294-L317 HydrophobicContact CD1-CD2 3.92Å; I294-W321 HydrophobicContact CG2-CH2 4.32Å; I294-I329 HydrophobicContact CD1-CD1 3.93Å; I294-I329 HydrophobicContact CD1-CG2 4.04Å; I294-I329 HydrophobicContact CG1-CD1 4.45Å; I294-I329 HydrophobicContact CG2-CD1 3.44Å; I294-I329 VanDerWaalsContact CG2-CD1 3.44Å; I294-F331 HydrophobicContact CD1-CE1 4.44Å; I294-F331 HydrophobicContact CD1-CZ 3.76Å
295Q90.9Very high91.8Very high103 Ų10363.2 Ų63.248%0.48136%0.364SS..  trans-124.2147.5175.6-168173.8-13.900109.5I274I274-Q295 HydrophobicContact CD1-CB 4.29Å; I274-Q295 HydrophobicContact CG1-CB 4.21Å
296G85.4Confident92.3Very high19 Ų1961.9 Ų61.920%0.19635%0.352CS..  trans-83.2-174176.400000112.6W321G296-W321 VanDerWaalsContact N-CH2 3.25Å; G296-W321 VanDerWaalsContact N-CZ3 3.26Å
297E85.9Confident92.6Very high113 Ų11361.1 Ų61.153%0.52835%0.348SS..SBendtrans-57.2152.8165.7-70.4165.3-163.400110.6G299 A300 K325E297-G299 PolarHBondContact O-N 3.08Å; E297-A300 HydrophobicContact CB-CB 4.3Å; E297-A300 WeakPolarHBondContact O-CB 3.42Å; E297-A300 PolarHBondContact O-N 3.25Å; E297-K325 IonicContact OE1-NZ 3.9Å; E297-K325 PolarHBondContact OE1-NZ 2.96Å
298P82.3Confident92.7Very high134 Ų13458.3 Ų58.387%0.8734%0.335SS*.THydrogen-bonded Turntrans-51.3125.3177.5-27.535.3000112.2A300P298-A300 VanDerWaalsContact C-N 3.29Å; P298-A300 PolarHBondContact O-N 2.92Å
299G81.8Confident92.6Very high80 Ų8059.1 Ų59.183%0.82534%0.342SS*.THydrogen-bonded Turntrans82.5-8.7-177.300000115.6E297E297-G299 PolarHBondContact O-N 3.08Å
300A88.7Confident92.5Very high15 Ų1559.3 Ų59.312%0.12434%0.343CS..  trans-88.8109173.600000110.5E297 P298 W321E297-A300 HydrophobicContact CB-CB 4.3Å; E297-A300 WeakPolarHBondContact O-CB 3.42Å; E297-A300 PolarHBondContact O-N 3.25Å; P298-A300 VanDerWaalsContact C-N 3.29Å; P298-A300 PolarHBondContact O-N 2.92Å; A300-W321 HydrophobicContact CB-CB 4.47Å; A300-W321 HydrophobicContact CB-CE3 4.39Å
301E92.4Very high92.4Very high48 Ų4856.1 Ų56.122%0.22432%0.318CS..  trans-91135.3179.3-65.1-179.2159.600110.8A273 R303 W321 S322A273-E301 HydrophobicContact CB-CB 4.29Å; A273-E301 HydrophobicContact CB-CG 4.25Å; E301-R303 IonicContact OE2-CZ 3.26Å; E301-R303 IonicContact OE2-NE 2.67Å; E301-R303 IonicContact OE2-NH2 3.44Å; E301-R303 PolarHBondContact OE2-NH2 2.99Å; E301-W321 CarbonylContact O-C 3.54Å; E301-W321 WeakPolarHBondContact O-CA 3.22Å; E301-S322 PolarHBondContact N-OG 2.65Å; E301-S322 PolarHBondContact O-N 3.18Å
302P95.3Very high92.4Very high2 Ų258.8 Ų58.81%0.01333%0.325CS..EExtended strand (participates in β ladder)trans-67.3135.5171.523.6-25.6000110.5L261 A273 I275 V319 W321L261-P302 HydrophobicContact CD1-CB 3.81Å; L261-P302 HydrophobicContact CD1-CG 3.52Å; A273-P302 HydrophobicContact CB-CG 4.41Å; I275-P302 HydrophobicContact CD1-CB 3.8Å; I275-P302 HydrophobicContact CD1-CG 4.27Å; I275-P302 HydrophobicContact CG1-CB 3.93Å; I275-P302 HydrophobicContact CG1-CG 3.97Å; P302-V319 HydrophobicContact CB-CG1 3.81Å; P302-W321 HydrophobicContact CB-CE3 4.04Å; P302-W321 HydrophobicContact CB-CZ3 3.8Å; P302-W321 HydrophobicContact CG-CZ3 4.03Å
303R93.8Very high92.2Very high132 Ų13263.3 Ų63.350%0.49834%0.337SS..EExtended strand (participates in β ladder)trans-121.6-40.8-176-65.5-62.8-178.9140.9-6.7113.9E301 C320E301-R303 IonicContact OE2-CZ 3.26Å; E301-R303 IonicContact OE2-NE 2.67Å; E301-R303 IonicContact OE2-NH2 3.44Å; E301-R303 PolarHBondContact OE2-NH2 2.99Å; R303-C320 PolarHBondContact N-O 2.9Å
304L96Very high92.3Very high54 Ų5458.6 Ų58.628%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-131.2142178.9-56.8170.1000109.9V5 F8 V319 C320V5-L304 HydrophobicContact CG1-CD1 3.87Å; F8-L304 HydrophobicContact CB-CD1 4Å; L304-V319 WeakPolarHBondContact O-CA 3.17Å; L304-C320 HydrophobicContact CB-CB 3.96Å; L304-C320 HydrophobicContact CD1-CB 4.28Å; L304-C320 HydrophobicContact CG-CB 4.42Å; L304-C320 PolarHBondContact N-O 2.9Å; L304-C320 PolarHBondContact O-N 2.88Å
305L97.1Very high92.3Very high20 Ų2057.5 Ų57.511%0.10531%0.312CS..EExtended strand (participates in β ladder)trans-127.1131.1178.8-57-176.5000109.5A259 L261 I275 L317 T318 V319A259-L305 HydrophobicContact CB-CD1 4.26Å; L261-L305 HydrophobicContact CB-CD1 3.7Å; L261-L305 HydrophobicContact CB-CG 4.39Å; I275-L305 HydrophobicContact CD1-CD2 3.41Å; I275-L305 VanDerWaalsContact CD1-CD2 3.41Å; I275-L305 HydrophobicContact CG1-CD1 4.26Å; I275-L305 HydrophobicContact CG1-CD2 3.84Å; I275-L305 HydrophobicContact CG2-CD1 4.05Å; L305-L317 HydrophobicContact CB-CD1 4.29Å; L305-T318 WeakPolarHBondContact CA-O 3.28Å; L305-V319 HydrophobicContact CD2-CB 4.37Å; L305-V319 HydrophobicContact CD2-CG1 4.05Å; L305-V319 HydrophobicContact CD2-CG2 3.91Å
306Q98.1Very high92.7Very high61 Ų6153.8 Ų53.829%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-151.5130167.6-162.5-177.55.300110.5F8 T318F8-Q306 HydrophobicContact CD1-CB 4.19Å; F8-Q306 HydrophobicContact CE1-CB 4.25Å; Q306-T318 PolarHBondContact N-O 2.89Å; Q306-T318 WeakPolarHBondContact O-CB 3.47Å; Q306-T318 PolarHBondContact O-N 2.8Å
307F98.4Very high93.3Very high8 Ų852.9 Ų52.94%0.03529%0.286CS..EExtended strand (participates in β ladder)trans-72.5140.3168.1-79.7-76.7000111.2S250 D252 R257 A259 A315 L316 L317 F331S250-F307 VanDerWaalsContact O-CE2 3.27Å; S250-F307 WeakPolarHBondContact O-CE2 3.37Å; S250-F307 WeakPolarHBondContact OG-CD2 3.46Å; S250-F307 PolarHBondContact OG-N 3.48Å; D252-F307 VanDerWaalsContact CA-CD2 3.46Å; D252-F307 HydrophobicContact CB-CB 4.25Å; D252-F307 HydrophobicContact CB-CD1 3.79Å; D252-F307 HydrophobicContact CB-CD2 3.71Å; D252-F307 HydrophobicContact CB-CE1 3.99Å; D252-F307 HydrophobicContact CB-CE2 3.93Å; D252-F307 HydrophobicContact CB-CG 3.65Å; D252-F307 HydrophobicContact CB-CZ 4.08Å; D252-F307 VanDerWaalsContact N-CD2 3.32Å; R257-F307 HydrophobicContact CB-CE1 4.49Å; R257-F307 HydrophobicContact CB-CZ 3.96Å; A259-F307 HydrophobicContact CB-CE2 3.86Å; A259-F307 HydrophobicContact CB-CZ 4.13Å; F307-A315 HydrophobicContact CD1-CB 3.86Å; F307-A315 HydrophobicContact CE1-CB 3.72Å; F307-L316 CarbonylContact C-O 3.56Å; F307-L316 WeakPolarHBondContact CA-O 3.26Å; F307-L316 WeakPolarHBondContact CD1-O 3.35Å; F307-L317 HydrophobicContact CD1-CB 3.95Å; F307-L317 HydrophobicContact CD1-CD1 4.36Å; F307-L317 HydrophobicContact CD2-CD1 4.22Å; F307-L317 HydrophobicContact CE1-CB 3.6Å; F307-L317 HydrophobicContact CE1-CD1 4.26Å; F307-L317 HydrophobicContact CE1-CG 4.46Å; F307-L317 HydrophobicContact CE2-CD1 4.1Å; F307-L317 HydrophobicContact CG-CD1 4.34Å; F307-L317 HydrophobicContact CZ-CB 4.08Å; F307-L317 HydrophobicContact CZ-CD1 4.11Å; F307-F331 AromaticContact CE1-CD2 3.93Å; F307-F331 HydrophobicContact CE1-CD2 3.93Å; F307-F331 AromaticContact CE1-CE2 3.8Å; F307-F331 HydrophobicContact CE1-CE2 3.8Å; F307-F331 HydrophobicContact CZ-CE2 4.11Å
308H97.9Very high93.9Very high10 Ų1047.5 Ų47.55%0.04626%0.261CS..  trans-60.5131.5168.6-173.4-92000109.7W10 D15 N310 F311 L316W10-H308 AromaticContact CD2-CD2 3.62Å; W10-H308 AromaticContact CE2-CD2 3.7Å; W10-H308 AromaticContact CE3-CD2 3.47Å; W10-H308 VanDerWaalsContact CE3-CD2 3.47Å; W10-H308 AromaticContact CE3-NE2 3.9Å; W10-H308 AromaticContact CH2-CD2 3.64Å; W10-H308 AromaticContact CZ2-CD2 3.73Å; W10-H308 AromaticContact CZ3-CD2 3.48Å; W10-H308 VanDerWaalsContact CZ3-CD2 3.48Å; W10-H308 WeakPolarHBondContact CZ3-CD2 3.35Å; W10-H308 AromaticContact CZ3-NE2 3.82Å; D15-H308 IonicContact OD1-CE1 3.58Å; D15-H308 PolarHBondContact OD1-CE1 2.92Å; D15-H308 IonicContact OD1-NE2 2.78Å; D15-H308 PolarHBondContact OD1-NE2 2.81Å; H308-N310 VanDerWaalsContact C-N 3.3Å; H308-N310 PolarHBondContact CE1-O 2.74Å; H308-N310 PolarHBondContact ND1-N 2.87Å; H308-N310 VanDerWaalsContact ND1-N 3.19Å; H308-N310 PolarHBondContact ND1-O 2.95Å; H308-N310 PolarHBondContact O-N 2.87Å; H308-F311 HydrophobicContact CB-CB 4.46Å; H308-F311 PolarHBondContact ND1-N 2.9Å; H308-L316 HydrophobicContact CB-CB 3.87Å; H308-L316 HydrophobicContact CB-CD2 4.03Å; H308-L316 HydrophobicContact CB-CG 4.28Å; H308-L316 PolarHBondContact N-O 3.21Å
309P95.6Very high94.7Very high37 Ų3741.1 Ų41.124%0.2422%0.219CC..THydrogen-bonded Turntrans-68.3-27.4-170.822.5-30.9000113.7W10 H11 P12 P253W10-P309 HydrophobicContact CB-CG 4.21Å; H11-P309 VanDerWaalsContact O-CG 3.22Å; H11-P309 WeakPolarHBondContact O-CG 3.45Å; P12-P309 WeakPolarHBondContact O-CB 3.22Å; P253-P309 WeakPolarHBondContact CG-O 3.4Å
310N92.9Very high95.4Very high85 Ų8537.4 Ų37.446%0.45518%0.181SC..THydrogen-bonded Turntrans-140.561.1-174.5-17024.2000112.8H308 Q312H308-N310 VanDerWaalsContact C-N 3.3Å; H308-N310 PolarHBondContact CE1-O 2.74Å; H308-N310 PolarHBondContact ND1-N 2.87Å; H308-N310 VanDerWaalsContact ND1-N 3.19Å; H308-N310 PolarHBondContact ND1-O 2.95Å; H308-N310 PolarHBondContact O-N 2.87Å; N310-Q312 PolarHBondContact OD1-NE2 3.09Å; N310-Q312 VanDerWaalsContact OD1-NE2 3.09Å
311F94.4Very high95.7Very high40 Ų4037.3 Ų37.318%0.17518%0.177CC..  trans-85.6122.1172.5-173.1-114.9000110.6R254 H308 H313 G314 L316 P330 Y332R254-F311 PolarHBondContact NH2-O 3.06Å; H308-F311 HydrophobicContact CB-CB 4.46Å; H308-F311 PolarHBondContact ND1-N 2.9Å; F311-H313 HydrophobicContact CE1-CB 4.01Å; F311-H313 HydrophobicContact CZ-CB 4.25Å; F311-H313 PolarHBondContact O-N 3.16Å; F311-G314 VanDerWaalsContact O-O 3.1Å; F311-L316 HydrophobicContact CB-CB 3.83Å; F311-L316 HydrophobicContact CD1-CB 3.93Å; F311-L316 HydrophobicContact CD2-CB 3.88Å; F311-L316 HydrophobicContact CD2-CD2 4Å; F311-L316 HydrophobicContact CD2-CG 4.45Å; F311-L316 HydrophobicContact CE1-CB 4.45Å; F311-L316 HydrophobicContact CE2-CB 4.41Å; F311-L316 HydrophobicContact CE2-CD2 4.33Å; F311-L316 HydrophobicContact CG-CB 3.61Å; F311-P330 HydrophobicContact CE1-CB 4.35Å; F311-P330 HydrophobicContact CZ-CB 4.24Å; F311-Y332 HydrophobicContact CE1-CD1 4.4Å; F311-Y332 HydrophobicContact CE1-CE1 4.14Å; F311-Y332 AromaticContact CZ-CE1 3.91Å; F311-Y332 HydrophobicContact CZ-CE1 3.91Å
312Q90.6Very high95.7Very high117 Ų11736.5 Ų36.555%0.54718%0.177SC..THydrogen-bonded Turntrans-71.5-32.4-169.1-67.4-59.8-28.400114.2R254 N310R254-Q312 PolarHBondContact NH2-O 2.73Å; N310-Q312 PolarHBondContact OD1-NE2 3.09Å; N310-Q312 VanDerWaalsContact OD1-NE2 3.09Å
313H90.1Very high95.5Very high125 Ų12539.3 Ų39.358%0.57920%0.197SC*.THydrogen-bonded Turntrans-97.910.7-170.4-54.699000114F311 Y332 F333F311-H313 HydrophobicContact CE1-CB 4.01Å; F311-H313 HydrophobicContact CZ-CB 4.25Å; F311-H313 PolarHBondContact O-N 3.16Å; H313-Y332 HydrophobicContact CB-CD1 3.7Å; H313-Y332 HydrophobicContact CB-CE1 3.92Å; H313-Y332 WeakPolarHBondContact O-CA 3.43Å; H313-F333 PolarHBondContact O-N 3.12Å
314G94.9Very high95.4Very high2 Ų233.1 Ų33.12%0.02117%0.174CC..EExtended strand (participates in β ladder)trans148.2-124.3179.400000111.3F311 F331 F333F311-G314 VanDerWaalsContact O-O 3.1Å; G314-F331 WeakPolarHBondContact CA-O 3.35Å; G314-F333 VanDerWaalsContact CA-CD2 3.42Å
315A96.9Very high95.3Very high3 Ų333.3 Ų33.33%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-120.2147.7173.200000111D252 F307 F331 F333D252-A315 HydrophobicContact CB-CB 3.77Å; F307-A315 HydrophobicContact CD1-CB 3.86Å; F307-A315 HydrophobicContact CE1-CB 3.72Å; A315-F331 HydrophobicContact CB-CB 4.41Å; A315-F331 HydrophobicContact CB-CD2 4.31Å; A315-F331 PolarHBondContact N-O 2.93Å; A315-F331 PolarHBondContact O-N 3.28Å; A315-F333 HydrophobicContact CB-CE1 4.35Å; A315-F333 HydrophobicContact CB-CE2 4.3Å; A315-F333 HydrophobicContact CB-CZ 3.63Å
316L97.9Very high95.2Very high24 Ų2434.3 Ų34.313%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-127.1108.2176.6179.671000108.9F307 H308 F311 H328 P330F307-L316 CarbonylContact C-O 3.56Å; F307-L316 WeakPolarHBondContact CA-O 3.26Å; F307-L316 WeakPolarHBondContact CD1-O 3.35Å; H308-L316 HydrophobicContact CB-CB 3.87Å; H308-L316 HydrophobicContact CB-CD2 4.03Å; H308-L316 HydrophobicContact CB-CG 4.28Å; H308-L316 PolarHBondContact N-O 3.21Å; F311-L316 HydrophobicContact CB-CB 3.83Å; F311-L316 HydrophobicContact CD1-CB 3.93Å; F311-L316 HydrophobicContact CD2-CB 3.88Å; F311-L316 HydrophobicContact CD2-CD2 4Å; F311-L316 HydrophobicContact CD2-CG 4.45Å; F311-L316 HydrophobicContact CE1-CB 4.45Å; F311-L316 HydrophobicContact CE2-CB 4.41Å; F311-L316 HydrophobicContact CE2-CD2 4.33Å; F311-L316 HydrophobicContact CG-CB 3.61Å; L316-H328 HydrophobicContact CD1-CB 3.92Å; L316-H328 HydrophobicContact CD2-CB 4.36Å; L316-H328 HydrophobicContact CG-CB 4.23Å; L316-P330 HydrophobicContact CD1-CB 3.9Å
317L98.6Very high95.1Very high0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-86.5123.2179.3177.364.5000110A259 I275 I294 L305 F307 V319 H328 I329 F331A259-L317 HydrophobicContact CB-CD1 3.99Å; A259-L317 HydrophobicContact CB-CD2 3.86Å; I275-L317 HydrophobicContact CG2-CD2 4.37Å; I294-L317 HydrophobicContact CD1-CD2 3.92Å; L305-L317 HydrophobicContact CB-CD1 4.29Å; F307-L317 HydrophobicContact CD1-CB 3.95Å; F307-L317 HydrophobicContact CD1-CD1 4.36Å; F307-L317 HydrophobicContact CD2-CD1 4.22Å; F307-L317 HydrophobicContact CE1-CB 3.6Å; F307-L317 HydrophobicContact CE1-CD1 4.26Å; F307-L317 HydrophobicContact CE1-CG 4.46Å; F307-L317 HydrophobicContact CE2-CD1 4.1Å; F307-L317 HydrophobicContact CG-CD1 4.34Å; F307-L317 HydrophobicContact CZ-CB 4.08Å; F307-L317 HydrophobicContact CZ-CD1 4.11Å; L317-V319 HydrophobicContact CD2-CG2 4.05Å; L317-V319 HydrophobicContact CG-CG2 4Å; L317-H328 CarbonylContact O-C 3.59Å; L317-H328 WeakPolarHBondContact O-CA 3.35Å; L317-I329 PolarHBondContact N-O 2.78Å; L317-I329 PolarHBondContact O-N 3.12Å; L317-F331 HydrophobicContact CB-CE2 3.77Å; L317-F331 HydrophobicContact CD2-CE2 4.42Å
318T98.5Very high95Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-90.8131.1166.1-59.40000110F8 W10 L305 Q306 I326 T327 H328F8-T318 HydrophobicContact CE1-CG2 3.97Å; F8-T318 HydrophobicContact CE2-CG2 3.96Å; F8-T318 HydrophobicContact CZ-CG2 3.65Å; W10-T318 VanDerWaalsContact CZ2-OG1 3.26Å; W10-T318 WeakPolarHBondContact CZ2-OG1 3.46Å; W10-T318 PolarHBondContact NE1-OG1 3.41Å; L305-T318 WeakPolarHBondContact CA-O 3.28Å; Q306-T318 PolarHBondContact N-O 2.89Å; Q306-T318 WeakPolarHBondContact O-CB 3.47Å; Q306-T318 PolarHBondContact O-N 2.8Å; T318-I326 HydrophobicContact CG2-CG2 3.49Å; T318-I326 VanDerWaalsContact CG2-CG2 3.49Å; T318-T327 CarbonylContact C-O 3.57Å; T318-T327 WeakPolarHBondContact CA-O 3.43Å; T318-H328 PolarHBondContact OG1-CE1 3.05Å; T318-H328 PolarHBondContact OG1-ND1 3.17Å
319V98.3Very high95Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-118.6125.3173.7-173.70000108.8I275 P302 L304 L305 L317 W321 I326 T327 I329I275-V319 HydrophobicContact CD1-CB 4.41Å; I275-V319 HydrophobicContact CD1-CG1 3.83Å; I275-V319 HydrophobicContact CD1-CG2 3.62Å; P302-V319 HydrophobicContact CB-CG1 3.81Å; L304-V319 WeakPolarHBondContact O-CA 3.17Å; L305-V319 HydrophobicContact CD2-CB 4.37Å; L305-V319 HydrophobicContact CD2-CG1 4.05Å; L305-V319 HydrophobicContact CD2-CG2 3.91Å; L317-V319 HydrophobicContact CD2-CG2 4.05Å; L317-V319 HydrophobicContact CG-CG2 4Å; V319-W321 HydrophobicContact CB-CZ2 4.01Å; V319-W321 HydrophobicContact CG1-CD2 3.87Å; V319-W321 HydrophobicContact CG1-CE3 4.16Å; V319-W321 HydrophobicContact CG1-CG 4.48Å; V319-W321 HydrophobicContact CG1-CH2 3.96Å; V319-W321 HydrophobicContact CG1-CZ2 3.68Å; V319-W321 HydrophobicContact CG1-CZ3 4.19Å; V319-I326 WeakPolarHBondContact O-CA 3.4Å; V319-T327 PolarHBondContact N-O 3.07Å; V319-T327 PolarHBondContact O-N 3.44Å; V319-I329 HydrophobicContact CG2-CD1 3.9Å
320C97.1Very high95Very high2 Ų237.1 Ų37.11%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-97.3124166.4-53.90000108.9V5 R303 L304V5-C320 HydrophobicContact CB-CB 4.3Å; V5-C320 HydrophobicContact CG1-CB 4.29Å; R303-C320 PolarHBondContact N-O 2.9Å; L304-C320 HydrophobicContact CB-CB 3.96Å; L304-C320 HydrophobicContact CD1-CB 4.28Å; L304-C320 HydrophobicContact CG-CB 4.42Å; L304-C320 PolarHBondContact N-O 2.9Å; L304-C320 PolarHBondContact O-N 2.88Å
321W95.4Very high95.2Very high13 Ų1334.7 Ų34.75%0.04918%0.18CC..EExtended strand (participates in β ladder)trans-94.3159.3-176.5-5598.4000111.7I294 G296 A300 E301 P302 V319 S323 G324 K325 T327I294-W321 HydrophobicContact CG2-CH2 4.32Å; G296-W321 VanDerWaalsContact N-CH2 3.25Å; G296-W321 VanDerWaalsContact N-CZ3 3.26Å; A300-W321 HydrophobicContact CB-CB 4.47Å; A300-W321 HydrophobicContact CB-CE3 4.39Å; E301-W321 CarbonylContact O-C 3.54Å; E301-W321 WeakPolarHBondContact O-CA 3.22Å; P302-W321 HydrophobicContact CB-CE3 4.04Å; P302-W321 HydrophobicContact CB-CZ3 3.8Å; P302-W321 HydrophobicContact CG-CZ3 4.03Å; V319-W321 HydrophobicContact CB-CZ2 4.01Å; V319-W321 HydrophobicContact CG1-CD2 3.87Å; V319-W321 HydrophobicContact CG1-CE3 4.16Å; V319-W321 HydrophobicContact CG1-CG 4.48Å; V319-W321 HydrophobicContact CG1-CH2 3.96Å; V319-W321 HydrophobicContact CG1-CZ2 3.68Å; V319-W321 HydrophobicContact CG1-CZ3 4.19Å; W321-S323 PolarHBondContact O-N 3.21Å; W321-G324 PolarHBondContact O-N 2.87Å; W321-K325 HydrophobicContact CB-CB 4.46Å; W321-K325 PolarHBondContact N-O 3.02Å; W321-T327 PolarHBondContact NE1-OG1 3.47Å
322S92.5Very high95.1Very high31 Ų3139 Ų3922%0.21720%0.196CC..THydrogen-bonded Turntrans-58.8-27.1175.259.20000113.1E301 G324E301-S322 PolarHBondContact N-OG 2.65Å; E301-S322 PolarHBondContact O-N 3.18Å; S322-G324 PolarHBondContact O-N 2.78Å
323S90.9Very high95.2Very high62 Ų6234.8 Ų34.843%0.43418%0.176SC..THydrogen-bonded Turntrans-70.4-6.4173.359.90000114W321 K325W321-S323 PolarHBondContact O-N 3.21Å; S323-K325 PolarHBondContact O-N 2.74Å; S323-K325 WeakPolarHBondContact OG-CB 3.29Å; S323-K325 PolarHBondContact OG-N 2.84Å
324G91.1Very high94.9Very high1 Ų136.9 Ų36.91%0.0119%0.19CC..SBendtrans83.9-11-172.100000113.8W321 S322 I369W321-G324 PolarHBondContact O-N 2.87Å; S322-G324 PolarHBondContact O-N 2.78Å; G324-I369 WeakPolarHBondContact O-CD1 3.37Å
325K93.1Very high93.6Very high58 Ų5843.4 Ų43.425%0.25223%0.23SC..  trans-59.9142.6173.4-171.4170.3179.3170.30109.8E297 W321 S323E297-K325 IonicContact OE1-NZ 3.9Å; E297-K325 PolarHBondContact OE1-NZ 2.96Å; W321-K325 HydrophobicContact CB-CB 4.46Å; W321-K325 PolarHBondContact N-O 3.02Å; S323-K325 PolarHBondContact O-N 2.74Å; S323-K325 WeakPolarHBondContact OG-CB 3.29Å; S323-K325 PolarHBondContact OG-N 2.84Å
326I95.6Very high91.6Very high41 Ų4148.2 Ų48.221%0.2126%0.263CS..EExtended strand (participates in β ladder)trans-117.5129.3171.9-57.3178.3000107V5 F8 V19 T318 V319V5-I326 HydrophobicContact CG2-CD1 4.27Å; V5-I326 HydrophobicContact CG2-CG1 4.35Å; F8-I326 HydrophobicContact CD2-CD1 4.24Å; F8-I326 HydrophobicContact CE2-CD1 4.4Å; F8-I326 HydrophobicContact CE2-CG2 4.39Å; V19-I326 HydrophobicContact CG1-CD1 4.03Å; V19-I326 HydrophobicContact CG2-CD1 3.78Å; T318-I326 HydrophobicContact CG2-CG2 3.49Å; T318-I326 VanDerWaalsContact CG2-CG2 3.49Å; V319-I326 WeakPolarHBondContact O-CA 3.4Å
327T96.2Very high89Confident32 Ų3250.5 Ų50.520%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-125.3141.3-179.8-54.20000110T318 V319 W321 I329T318-T327 CarbonylContact C-O 3.57Å; T318-T327 WeakPolarHBondContact CA-O 3.43Å; V319-T327 PolarHBondContact N-O 3.07Å; V319-T327 PolarHBondContact O-N 3.44Å; W321-T327 PolarHBondContact NE1-OG1 3.47Å; T327-I329 HydrophobicContact CG2-CG1 4.02Å
328H96.6Very high86.2Confident63 Ų6357.2 Ų57.229%0.29233%0.327SS..EExtended strand (participates in β ladder)trans-112120.3175.9-53.3-66.1000109.1W10 L316 L317 T318W10-H328 AromaticContact CH2-CE1 3.97Å; W10-H328 AromaticContact CZ2-CE1 3.5Å; W10-H328 AromaticContact CZ2-ND1 3.69Å; L316-H328 HydrophobicContact CD1-CB 3.92Å; L316-H328 HydrophobicContact CD2-CB 4.36Å; L316-H328 HydrophobicContact CG-CB 4.23Å; L317-H328 CarbonylContact O-C 3.59Å; L317-H328 WeakPolarHBondContact O-CA 3.35Å; T318-H328 PolarHBondContact OG1-CE1 3.05Å; T318-H328 PolarHBondContact OG1-ND1 3.17Å
329I97.4Very high83.1Confident36 Ų3662.1 Ų62.119%0.18536%0.361CS..EExtended strand (participates in β ladder)trans-114.6106.9-171.3-56.5173.3000108.4I294 L317 V319 T327I294-I329 HydrophobicContact CD1-CD1 3.93Å; I294-I329 HydrophobicContact CD1-CG2 4.04Å; I294-I329 HydrophobicContact CG1-CD1 4.45Å; I294-I329 HydrophobicContact CG2-CD1 3.44Å; I294-I329 VanDerWaalsContact CG2-CD1 3.44Å; L317-I329 PolarHBondContact N-O 2.78Å; L317-I329 PolarHBondContact O-N 3.12Å; V319-I329 HydrophobicContact CG2-CD1 3.9Å; T327-I329 HydrophobicContact CG2-CG1 4.02Å
330P96.6Very high80.3Confident45 Ų4570.8 Ų70.829%0.29240%0.401SS..EExtended strand (participates in β ladder)trans-80.9137.6-177.630.9-33.2000111.7F311 L316 Y332F311-P330 HydrophobicContact CE1-CB 4.35Å; F311-P330 HydrophobicContact CZ-CB 4.24Å; L316-P330 HydrophobicContact CD1-CB 3.9Å; P330-Y332 HydrophobicContact CB-CD2 4.44Å; P330-Y332 HydrophobicContact CB-CE1 4.41Å; P330-Y332 HydrophobicContact CB-CE2 3.82Å; P330-Y332 HydrophobicContact CG-CE2 3.86Å
331F95.6Very high77.4Confident34 Ų3477 Ų7715%0.14944%0.439CS..EExtended strand (participates in β ladder)trans-112.2103.9164.9-56.3-84.2000108V277 I294 F307 G314 A315 L317 F333V277-F331 HydrophobicContact CG1-CE1 3.84Å; V277-F331 HydrophobicContact CG1-CZ 3.87Å; V277-F331 HydrophobicContact CG2-CE1 4.37Å; V277-F331 HydrophobicContact CG2-CZ 4.01Å; I294-F331 HydrophobicContact CD1-CE1 4.44Å; I294-F331 HydrophobicContact CD1-CZ 3.76Å; F307-F331 AromaticContact CE1-CD2 3.93Å; F307-F331 HydrophobicContact CE1-CD2 3.93Å; F307-F331 AromaticContact CE1-CE2 3.8Å; F307-F331 HydrophobicContact CE1-CE2 3.8Å; F307-F331 HydrophobicContact CZ-CE2 4.11Å; G314-F331 WeakPolarHBondContact CA-O 3.35Å; A315-F331 HydrophobicContact CB-CB 4.41Å; A315-F331 HydrophobicContact CB-CD2 4.31Å; A315-F331 PolarHBondContact N-O 2.93Å; A315-F331 PolarHBondContact O-N 3.28Å; L317-F331 HydrophobicContact CB-CE2 3.77Å; L317-F331 HydrophobicContact CD2-CE2 4.42Å; F331-F333 HydrophobicContact CB-CE1 3.83Å
332Y94.3Very high74.4Confident131 Ų13179.5 Ų79.551%0.51447%0.469SS..EExtended strand (participates in β ladder)trans-78.3129.3177.2-63.8-71.2000110.5F311 H313 P330F311-Y332 HydrophobicContact CE1-CD1 4.4Å; F311-Y332 HydrophobicContact CE1-CE1 4.14Å; F311-Y332 AromaticContact CZ-CE1 3.91Å; F311-Y332 HydrophobicContact CZ-CE1 3.91Å; H313-Y332 HydrophobicContact CB-CD1 3.7Å; H313-Y332 HydrophobicContact CB-CE1 3.92Å; H313-Y332 WeakPolarHBondContact O-CA 3.43Å; P330-Y332 HydrophobicContact CB-CD2 4.44Å; P330-Y332 HydrophobicContact CB-CE1 4.41Å; P330-Y332 HydrophobicContact CB-CE2 3.82Å; P330-Y332 HydrophobicContact CG-CE2 3.86Å
333F91Very high71.9Confident28 Ų2886.9 Ų86.912%0.12351%0.505CS..  trans-100121.7174.4-55.9-17.2000107.7E256 R257 H313 G314 A315 F331 T335E256-F333 HydrophobicContact CB-CD2 4.38Å; E256-F333 HydrophobicContact CB-CE2 3.59Å; E256-F333 HydrophobicContact CB-CZ 3.69Å; E256-F333 HydrophobicContact CG-CD2 4.32Å; E256-F333 HydrophobicContact CG-CE2 3.92Å; E256-F333 HydrophobicContact CG-CZ 4.49Å; E256-F333 VanDerWaalsContact OE1-CD2 3.31Å; E256-F333 WeakPolarHBondContact OE1-CD2 3.33Å; E256-F333 WeakPolarHBondContact OE2-CD2 3.48Å; E256-F333 WeakPolarHBondContact OE2-CE2 3.31Å; E256-F333 WeakPolarHBondContact OE2-CG 3.5Å; R257-F333 HydrophobicContact CG-CE1 3.9Å; R257-F333 HydrophobicContact CG-CZ 3.79Å; R257-F333 VanDerWaalsContact NH2-CE1 3.33Å; H313-F333 PolarHBondContact O-N 3.12Å; G314-F333 VanDerWaalsContact CA-CD2 3.42Å; A315-F333 HydrophobicContact CB-CE1 4.35Å; A315-F333 HydrophobicContact CB-CE2 4.3Å; A315-F333 HydrophobicContact CB-CZ 3.63Å; F331-F333 HydrophobicContact CB-CE1 3.83Å; F333-T335 PolarHBondContact O-N 3.27Å
334L83.9Confident69.3Low168 Ų16889.5 Ų89.588%0.8852%0.523SS*.  trans-75.3113.4176.1-64.4173.8000108.2S336L334-S336 PolarHBondContact O-N 2.85Å; L334-S336 VanDerWaalsContact O-N 3.15Å
335T67.4Low66.6Low140 Ų14092.7 Ų92.786%0.85956%0.556SS**  trans-65.4113.8167.4-22.70000107.2F333 G337F333-T335 PolarHBondContact O-N 3.27Å; T335-G337 PolarHBondContact O-N 3.47Å
336S54.8Low64.1Low104 Ų10495.9 Ų95.973%0.72759%0.586SS**  trans-68.4100.6170.1-21.40000106.7L334 I338L334-S336 PolarHBondContact O-N 2.85Å; L334-S336 VanDerWaalsContact O-N 3.15Å; S336-I338 VanDerWaalsContact C-N 3.27Å; S336-I338 PolarHBondContact O-N 3.05Å
337G43.3Very low61Low71 Ų71101.8 Ų101.873%0.73262%0.617SS**  trans-64.891.5168.900000108.5T335 S339T335-G337 PolarHBondContact O-N 3.47Å; G337-S339 PolarHBondContact O-N 2.9Å
338I39.9Very low58Low142 Ų142105.7 Ų105.773%0.72864%0.643SS**  trans-76.186168.1-58.2173.7000106.4S336 Q340S336-I338 VanDerWaalsContact C-N 3.27Å; S336-I338 PolarHBondContact O-N 3.05Å; I338-Q340 VanDerWaalsContact C-N 3.27Å; I338-Q340 HydrophobicContact CG2-CG 3.94Å; I338-Q340 PolarHBondContact O-N 3.18Å; I338-Q340 VanDerWaalsContact O-N 3.15Å
339S34.1Very low54.9Low102 Ų102110.4 Ų110.471%0.71367%0.669SS**  trans-74.388.8155.2-51.10000106.6G337 V341G337-S339 PolarHBondContact O-N 2.9Å; S339-V341 PolarHBondContact O-N 3.45Å
340Q39.2Very low51.8Low182 Ų182114.6 Ų114.685%0.8570%0.699SS**  trans-6785.9157.5-92.2-172.4-14.500107.4I338I338-Q340 VanDerWaalsContact C-N 3.27Å; I338-Q340 HydrophobicContact CG2-CG 3.94Å; I338-Q340 PolarHBondContact O-N 3.18Å; I338-Q340 VanDerWaalsContact O-N 3.15Å
341V36.3Very low48.6Very low132 Ų132120.9 Ų120.980%0.872%0.724SS**  trans-104.5121.4159.3-177.50000106.1S339S339-V341 PolarHBondContact O-N 3.45Å
342G31.8Very low45.8Very low66 Ų66128 Ų12868%0.6876%0.763SS**  trans-58.3159.8-16900000114.9S344G342-S344 PolarHBondContact O-N 3.19Å
343L40.5Very low42.6Very low186 Ų186130 Ų13097%0.97478%0.777SS**SBendtrans-52.698.6166.8-71.9149.6000111.1
344S36.4Very low39.6Very low117 Ų117137 Ų13782%0.81881%0.81SS**  trans174.4129.5139.1590000110.2G342G342-S344 PolarHBondContact O-N 3.19Å
345G33.8Very low37.2Very low68 Ų68140.2 Ų140.270%0.70181%0.81SS**  trans105.7107.4163.800000113.6
346S41Very low35.4Very low125 Ų125138.4 Ų138.487%0.87480%0.801SS**  trans-37.6128.7168.147.10000114.2
347L30.1Very low34.5Very low165 Ų165137.5 Ų137.586%0.86480%0.8SS**  trans-120.4141.7162.7-82.7161.9000109.6
348P34.3Very low34Very low114 Ų114140.9 Ų140.974%0.7480%0.801SS**PPolyproline II helixtrans-74.1156.4-173.230.8-33000111.8
349L31.9Very low34Very low162 Ų162142.9 Ų142.985%0.84881%0.805SS**PPolyproline II helixtrans-46.3133.5173.7-77.2151.1000111H351L349-H351 PolarHBondContact O-N 3.46Å
350P32.5Very low33.7Very low124 Ų124142.9 Ų142.981%0.80581%0.805SS**PPolyproline II helixtrans-66.8120.7175.825-29.3000109.4
351H29.5Very low33.2Very low177 Ų177141.5 Ų141.582%0.81980%0.803SS**PPolyproline II helixtrans-54.8136.4164.7-96.8-85.6000109.7L349 Q353L349-H351 PolarHBondContact O-N 3.46Å; H351-Q353 VanDerWaalsContact C-N 3.31Å; H351-Q353 PolarHBondContact O-N 2.9Å
352L35.2Very low32.9Very low185 Ų185143.4 Ų143.497%0.96980%0.803SS**  trans-5794.3163.6-96.6135.1000108.7
353Q28.8Very low32.7Very low173 Ų173144.8 Ų144.881%0.80880%0.803SS**  trans-105.2101.5171.1-151.7166.63.100107.8H351H351-Q353 VanDerWaalsContact C-N 3.31Å; H351-Q353 PolarHBondContact O-N 2.9Å
354E28Very low32.2Very low174 Ų174142 Ų14281%0.81379%0.788SS**  trans40122.3156.8-65.4-179.3157.300119.3
355R32.6Very low32.2Very low236 Ų236143.5 Ų143.589%0.89178%0.78SS**  trans-45.4131.5163.4-70176.6-171.4164.22.7109.4A357R355-A357 PolarHBondContact O-N 3.06Å
356P30Very low32.4Very low102 Ų102144.6 Ų144.666%0.66277%0.773SS**  trans-68.794.5157.62.912.3000106.7D358P356-D358 PolarHBondContact O-N 3.45Å
357A35.7Very low32.1Very low85 Ų85146.6 Ų146.670%0.70277%0.769SS**  trans-69.382.1158.400000106.8R355R355-A357 PolarHBondContact O-N 3.06Å
358D32.3Very low32.3Very low141 Ų141145 Ų14575%0.75476%0.76SS**  trans-172.553164.7-92.1-23.7000110.5P356P356-D358 PolarHBondContact O-N 3.45Å
359F39.6Very low32.2Very low185 Ų185143.9 Ų143.981%0.81175%0.747SS**  trans-12512164.5-76.9-74000112.6
360S29Very low32.2Very low102 Ų102144.2 Ų144.271%0.71376%0.763SS**SBendtrans-90.80.1-179.646.50000114.7
361N28.6Very low32.2Very low152 Ų152145.2 Ų145.281%0.81376%0.761SS**SBendtrans-133.914.1-172.1-99-10.7000117
362Q29.3Very low32.3Very low173 Ų173143.5 Ų143.581%0.80876%0.758SS**  trans-96.196.3157-75.2-170.90.500107.9L364Q362-L364 VanDerWaalsContact C-N 3.26Å; Q362-L364 PolarHBondContact O-N 2.98Å
363S27.8Very low32.2Very low95 Ų95141.2 Ų141.266%0.66475%0.746SS**  trans-56.593.9165.142.90000108.7F365S363-F365 PolarHBondContact O-N 3.2Å
364L30.6Very low32.4Very low126 Ų126139.4 Ų139.466%0.6674%0.742SS**  trans-63.496.9159.5-73.5167.2000105.3Q362 T366Q362-L364 VanDerWaalsContact C-N 3.26Å; Q362-L364 PolarHBondContact O-N 2.98Å; L364-T366 VanDerWaalsContact C-N 3.31Å; L364-T366 PolarHBondContact O-N 3.36Å; L364-T366 PolarHBondContact O-OG1 3.43Å
365F36.1Very low32.6Very low149 Ų149137.2 Ų137.265%0.65474%0.738SS**  trans-46.293.1-177.7-93.4-92.5000110.7S363 L368S363-F365 PolarHBondContact O-N 3.2Å; F365-L368 HydrophobicContact CD1-CD1 3.78Å; F365-L368 HydrophobicContact CD1-CG 4.09Å; F365-L368 HydrophobicContact CE1-CD1 3.7Å; F365-L368 HydrophobicContact CE1-CG 4.19Å
366T38.2Very low32.6Very low92 Ų92130.6 Ų130.656%0.56473%0.728SS**  trans-108.3127.7158.3-470000103L364L364-T366 VanDerWaalsContact C-N 3.31Å; L364-T366 PolarHBondContact O-N 3.36Å; L364-T366 PolarHBondContact O-OG1 3.43Å
367E34.8Very low32.8Very low167 Ų167132.6 Ų132.678%0.7873%0.732SS**  trans91.989.2-172.6-53.1-169.8173.100115.9
368L34.5Very low32.6Very low130 Ų130136.3 Ų136.368%0.68174%0.735SS**  trans-145.866.6150.1-86.7179000110.2F365F365-L368 HydrophobicContact CD1-CD1 3.78Å; F365-L368 HydrophobicContact CD1-CG 4.09Å; F365-L368 HydrophobicContact CE1-CD1 3.7Å; F365-L368 HydrophobicContact CE1-CG 4.19Å
369I31.6Very low32.6Very low92 Ų92135.9 Ų135.947%0.47273%0.733SS.*  trans-142.4103.8145.4-53.3-180000107.1G324G324-I369 WeakPolarHBondContact O-CD1 3.37Å
370S31.5Very low32Very low168 Ų168131.5 Ų131.5100%1.17573%0.726SS**  trans-98.10147.546.80000109.2S1S1-S370 PolarHBondContact N-O 3.28Å; S1-S370 PolarHBondContact N-OXT 3.28Å

Retrieved 370 of 370 residues in 197.8 ms (Link to these results)

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