A0A077Z5D5_TRITR Loading...

Apple domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z5D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 434 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
1M80.8Confident77.7Confident81 Ų8159.7 Ų59.740%0.39931%0.308SS..  0128.20-174.5163.5-80.500107L3 C10 V12 I14 L36 L40M1-L3 HydrophobicContact CG-CD2 4.38Å; M1-C10 PolarHBondContact N-O 3.23Å; M1-C10 PolarHBondContact O-N 3.49Å; M1-V12 HydrophobicContact CB-CB 4.43Å; M1-V12 HydrophobicContact CB-CG2 3.75Å; M1-I14 HydrophobicContact CE-CD1 3.81Å; M1-L36 HydrophobicContact CE-CD2 4.21Å; M1-L40 HydrophobicContact CE-CD1 4.48Å; M1-L40 HydrophobicContact SD-CD1 3.24Å; M1-L40 WeakPolarHBondContact SD-CD1 3.3Å
2E80.6Confident78.6Confident117 Ų11757.1 Ų57.155%0.54730%0.297SS..EExtended strand (participates in β ladder)trans-83.8129.8176.2-66.1173.817100107.2E37E2-E37 WeakPolarHBondContact O-CG 3.3Å
3L77.5Confident79.3Confident0 Ų060.2 Ų60.20%031%0.309CS..EExtended strand (participates in β ladder)trans-105.489.2172.1-58.2-176.2000106.1M1 A5 L6 E7 L8 C10 E37 L40 K44M1-L3 HydrophobicContact CG-CD2 4.38Å; L3-A5 PolarHBondContact O-N 3.36Å; L3-L6 HydrophobicContact CD1-CD1 4.41Å; L3-L6 PolarHBondContact O-N 2.95Å; L3-E7 PolarHBondContact O-N 3.33Å; L3-L8 PolarHBondContact N-O 3.24Å; L3-C10 VanDerWaalsContact CD1-SG 3.55Å; L3-E37 HydrophobicContact CD2-CG 3.93Å; L3-L40 HydrophobicContact CD2-CB 3.79Å; L3-K44 HydrophobicContact CD1-CB 4.22Å; L3-K44 HydrophobicContact CD1-CG 4.45Å
4E70.7Confident79.9Confident114 Ų11460.9 Ų60.953%0.53331%0.313SS..G310 helixtrans-56.7-40.5-168.1-71.3-174.4174.500112.4L6 E7 E37E4-L6 PolarHBondContact O-N 3.48Å; E4-E7 PolarHBondContact O-N 2.79Å; E4-E37 PolarHBondContact N-OE1 3.44Å
5A70Confident80.3Confident51 Ų5160.3 Ų60.342%0.42131%0.313SS..G310 helixtrans-65.8-16.5-178.900000114.8L3 T41L3-A5 PolarHBondContact O-N 3.36Å; A5-T41 HydrophobicContact CB-CG2 3.88Å
6L71.2Confident80.2Confident52 Ų5262.8 Ų62.827%0.27233%0.332SS..G310 helixtrans-117.3-0.9-178.5-62.7176000113.2L3 E4 L8 T41 K44 V45L3-L6 HydrophobicContact CD1-CD1 4.41Å; L3-L6 PolarHBondContact O-N 2.95Å; E4-L6 PolarHBondContact O-N 3.48Å; L6-L8 HydrophobicContact CB-CB 4.42Å; L6-L8 HydrophobicContact CB-CD1 3.92Å; L6-L8 HydrophobicContact CB-CG 4.01Å; L6-L8 HydrophobicContact CD1-CD1 4.19Å; L6-L8 WeakPolarHBondContact O-CG 3.41Å; L6-L8 PolarHBondContact O-N 2.91Å; L6-L8 VanDerWaalsContact O-N 3.09Å; L6-T41 HydrophobicContact CD1-CG2 4.11Å; L6-T41 HydrophobicContact CG-CG2 4.09Å; L6-K44 HydrophobicContact CD1-CB 3.65Å; L6-K44 HydrophobicContact CD1-CG 3.57Å; L6-V45 HydrophobicContact CD1-CG2 4.26Å; L6-V45 HydrophobicContact CD2-CG2 3.94Å
7E72.3Confident79.7Confident64 Ų6459.9 Ų59.930%0.29932%0.32SS..THydrogen-bonded Turntrans55.425.4-173.6-57.4-172.5167.700115L3 E4 R94L3-E7 PolarHBondContact O-N 3.33Å; E4-E7 PolarHBondContact O-N 2.79Å; E7-R94 WeakPolarHBondContact O-CB 3.36Å; E7-R94 WeakPolarHBondContact O-CG 3.32Å; E7-R94 PolarHBondContact O-N 3.4Å
8L78Confident79.7Confident20 Ų2066.4 Ų66.411%0.10535%0.348CS..EExtended strand (participates in β ladder)trans-99.7138.8179.5-66.4172.4000110.8L3 L6 K44 C91 E93L3-L8 PolarHBondContact N-O 3.24Å; L6-L8 HydrophobicContact CB-CB 4.42Å; L6-L8 HydrophobicContact CB-CD1 3.92Å; L6-L8 HydrophobicContact CB-CG 4.01Å; L6-L8 HydrophobicContact CD1-CD1 4.19Å; L6-L8 WeakPolarHBondContact O-CG 3.41Å; L6-L8 PolarHBondContact O-N 2.91Å; L6-L8 VanDerWaalsContact O-N 3.09Å; L8-K44 HydrophobicContact CD1-CD 4.19Å; L8-K44 VanDerWaalsContact CD1-CE 3.49Å; L8-K44 HydrophobicContact CD1-CG 3.71Å; L8-C91 HydrophobicContact CB-CB 4.42Å; L8-C91 HydrophobicContact CD1-CB 4.23Å; L8-C91 HydrophobicContact CD2-CB 4.37Å; L8-E93 HydrophobicContact CD2-CB 4.41Å; L8-E93 HydrophobicContact CD2-CG 3.75Å
9T82.2Confident79.8Confident51 Ų5164.8 Ų64.831%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-100.4110.1160.2-55.90000107.8V92 R94T9-V92 PolarHBondContact N-O 3.4Å; T9-V92 WeakPolarHBondContact O-CG2 3.38Å; T9-V92 PolarHBondContact O-N 3.44Å; T9-R94 VanDerWaalsContact OG1-CG 3.25Å; T9-R94 WeakPolarHBondContact OG1-CG 3.42Å
10C83.8Confident79.8Confident2 Ų265.7 Ų65.71%0.01435%0.354CS..EExtended strand (participates in β ladder)trans-102134.6-179.5-63.10000111.8M1 L3 V12 L88 S90 C91M1-C10 PolarHBondContact N-O 3.23Å; M1-C10 PolarHBondContact O-N 3.49Å; L3-C10 VanDerWaalsContact CD1-SG 3.55Å; C10-V12 HydrophobicContact CB-CG2 3.94Å; C10-V12 PolarHBondContact O-N 2.85Å; C10-L88 HydrophobicContact CB-CD2 3.85Å; C10-S90 CarbonylContact C-O 3.58Å; C10-S90 VanDerWaalsContact CA-O 3.29Å; C10-S90 WeakPolarHBondContact CA-O 3.16Å; C10-C91 HydrophobicContact CB-CB 4.12Å; C10-C91 WeakPolarHBondContact CB-SG 3.09Å; C10-C91 WeakPolarHBondContact SG-CB 3.45Å; C10-C91 CovalentContact SG-SG 2.04Å; C10-C91 PolarHBondContact SG-SG 2.94Å
11E87.9Confident79.7Confident105 Ų10563.4 Ų63.449%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-75117.2160.6-170-171.2171.900108.3K89 S90E11-K89 HydrophobicContact CB-CB 4.18Å; E11-K89 HydrophobicContact CG-CB 4.2Å; E11-K89 HydrophobicContact CG-CD 4.17Å; E11-K89 PolarHBondContact O-N 3.45Å; E11-K89 WeakPolarHBondContact OE1-CD 3.45Å; E11-S90 WeakPolarHBondContact CB-OG 3.37Å; E11-S90 PolarHBondContact N-O 2.84Å; E11-S90 PolarHBondContact OE2-OG 2.86Å
12V88.3Confident79.8Confident28 Ų2869.3 Ų69.317%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-124.2126.9-175.8-1720000109.1M1 C10 I14 L40 A86 V87 L88M1-V12 HydrophobicContact CB-CB 4.43Å; M1-V12 HydrophobicContact CB-CG2 3.75Å; C10-V12 HydrophobicContact CB-CG2 3.94Å; C10-V12 PolarHBondContact O-N 2.85Å; V12-I14 HydrophobicContact CB-CG1 4.39Å; V12-I14 HydrophobicContact CG1-CD1 4.39Å; V12-I14 HydrophobicContact CG1-CG1 3.76Å; V12-L40 HydrophobicContact CG1-CD1 4.05Å; V12-L40 HydrophobicContact CG1-CD2 4.34Å; V12-L40 HydrophobicContact CG2-CD1 4.32Å; V12-A86 HydrophobicContact CG1-CB 3.73Å; V12-V87 WeakPolarHBondContact CA-O 3.28Å; V12-L88 HydrophobicContact CG2-CD2 4.04Å
13E88.2Confident79.8Confident98 Ų9864.8 Ų64.846%0.45835%0.347SS..EExtended strand (participates in β ladder)trans-91.8113.8170.4-177.4170.916400109.2A86 V87 K89E13-A86 CarbonylContact O-C 3.5Å; E13-A86 WeakPolarHBondContact O-CA 3.46Å; E13-V87 PolarHBondContact N-O 3.1Å; E13-V87 PolarHBondContact O-N 3.39Å; E13-K89 HydrophobicContact CB-CD 4.49Å; E13-K89 WeakPolarHBondContact OE2-CE 3.36Å; E13-K89 IonicContact OE2-NZ 3.13Å; E13-K89 PolarHBondContact OE2-NZ 3.35Å
14I87.1Confident80.2Confident70 Ų7065.3 Ų65.336%0.35935%0.35SS..EExtended strand (participates in β ladder)trans-109.7121.9-175.8-51.4175.9000109.2M1 V12 V16 L36 L85 A86M1-I14 HydrophobicContact CE-CD1 3.81Å; V12-I14 HydrophobicContact CB-CG1 4.39Å; V12-I14 HydrophobicContact CG1-CD1 4.39Å; V12-I14 HydrophobicContact CG1-CG1 3.76Å; I14-V16 HydrophobicContact CG2-CG2 3.62Å; I14-L36 HydrophobicContact CD1-CD2 4.16Å; I14-L36 HydrophobicContact CG2-CD2 4.48Å; I14-L85 CarbonylContact C-O 3.55Å; I14-L85 WeakPolarHBondContact CA-O 3.35Å; I14-A86 HydrophobicContact CG1-CB 4.13Å
15T85.5Confident81Confident52 Ų5263.7 Ų63.732%0.31934%0.342SS..EExtended strand (participates in β ladder)trans-101.5120.1166.9-51.20000108.1S19 I79 S84 L85T15-S19 VanDerWaalsContact CG2-OG 3.25Å; T15-S19 WeakPolarHBondContact CG2-OG 3.44Å; T15-I79 HydrophobicContact CG2-CD1 4.12Å; T15-S84 CarbonylContact O-C 3.29Å; T15-S84 WeakPolarHBondContact O-CA 3.22Å; T15-L85 PolarHBondContact N-O 2.78Å; T15-L85 PolarHBondContact O-N 2.86Å
16V79.9Confident81.9Confident100 Ų10063.6 Ų63.661%0.60634%0.338SS*.EExtended strand (participates in β ladder)trans-112.6140.5-177.2-173.60000109.9I14I14-V16 HydrophobicContact CG2-CG2 3.62Å
17G71.8Confident82.7Confident13 Ų1364.5 Ų64.513%0.13435%0.346CS..SBendtrans80.3-169.9171.500000113.8S19 I79 G80 E83G17-S19 PolarHBondContact O-N 3.41Å; G17-S19 PolarHBondContact O-OG 3.37Å; G17-I79 WeakPolarHBondContact O-CG2 3.44Å; G17-G80 CarbonylContact C-O 3.45Å; G17-G80 VanDerWaalsContact C-O 3.24Å; G17-G80 WeakPolarHBondContact CA-O 2.98Å; G17-E83 PolarHBondContact N-O 3.4Å; G17-E83 VanDerWaalsContact N-O 3.13Å
18E78.5Confident83.3Confident178 Ų17864.4 Ų64.483%0.83235%0.345SS*.SBendtrans-63.7100.5-168.5-162.9173.5-170.400112.1I79E18-I79 VanDerWaalsContact CA-O 3.3Å; E18-I79 WeakPolarHBondContact CA-O 3.49Å
19S81.7Confident83.8Confident36 Ų3668.4 Ų68.425%0.25237%0.366SS..EExtended strand (participates in β ladder)trans-153.3173.1-172.360.10000111.2T15 G17 I79T15-S19 VanDerWaalsContact CG2-OG 3.25Å; T15-S19 WeakPolarHBondContact CG2-OG 3.44Å; G17-S19 PolarHBondContact O-N 3.41Å; G17-S19 PolarHBondContact O-OG 3.37Å; S19-I79 PolarHBondContact N-O 2.85Å; S19-I79 PolarHBondContact O-N 3.1Å; S19-I79 VanDerWaalsContact OG-CD1 3.25Å; S19-I79 WeakPolarHBondContact OG-CD1 3.45Å
20S81.1Confident83.8Confident81 Ų8169.5 Ų69.557%0.56636%0.364SS*.EExtended strand (participates in β ladder)trans-132.7126.2176.175.80000111.4Y77S20-Y77 CarbonylContact C-O 3.52Å; S20-Y77 VanDerWaalsContact CA-O 3.24Å; S20-Y77 WeakPolarHBondContact CA-O 3.38Å
21A77.6Confident83.8Confident19 Ų1974.9 Ų74.916%0.15740%0.397CS..EExtended strand (participates in β ladder)trans-103.5136.9175.100000110.7V24 G76 Y77 I79 L85A21-V24 HydrophobicContact CB-CG2 3.98Å; A21-G76 CarbonylContact O-C 3.56Å; A21-G76 WeakPolarHBondContact O-CA 3.29Å; A21-Y77 PolarHBondContact N-O 3.37Å; A21-Y77 WeakPolarHBondContact O-CB 3.34Å; A21-Y77 PolarHBondContact O-N 3Å; A21-I79 HydrophobicContact CB-CD1 4.27Å; A21-L85 HydrophobicContact CB-CD2 3.24Å
22R81.8Confident83.4Confident205 Ų20572.8 Ų72.877%0.77440%0.404SS*.SBendtrans-99.7152.3177.3-65.9-176.3-175179.92110.4
23G81.2Confident82.9Confident21 Ų2172.1 Ų72.122%0.21640%0.4CS..SBendtrans75.720.1170.900000115.4D70G23-D70 CarbonylContact C-O 3.47Å; G23-D70 VanDerWaalsContact CA-O 3.26Å; G23-D70 WeakPolarHBondContact CA-O 3.41Å; G23-D70 PolarHBondContact O-N 3.36Å
24V85.7Confident82.5Confident11 Ų1170.9 Ų70.97%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-127.7147.1178-63.20000110.8A21 M53 M67 V68 Y77 L85A21-V24 HydrophobicContact CB-CG2 3.98Å; V24-M53 HydrophobicContact CG1-SD 4.14Å; V24-M67 HydrophobicContact CB-CE 3.98Å; V24-M67 HydrophobicContact CG2-CE 3.78Å; V24-V68 WeakPolarHBondContact CA-O 3.32Å; V24-Y77 HydrophobicContact CG2-CG 4.25Å; V24-L85 HydrophobicContact CG2-CD2 4.33Å
25K88.2Confident82.4Confident80 Ų8069.3 Ų69.335%0.34840%0.395SS..EExtended strand (participates in β ladder)trans-138.6151.7171.969.1178.9171.9-161.20111M67 V68 D70 L73K25-M67 WeakPolarHBondContact O-CA 3.23Å; K25-V68 HydrophobicContact CD-CG2 4.16Å; K25-V68 HydrophobicContact CG-CG2 3.52Å; K25-V68 PolarHBondContact N-O 2.83Å; K25-V68 PolarHBondContact O-N 3.33Å; K25-D70 HydrophobicContact CB-CB 4.5Å; K25-D70 HydrophobicContact CD-CB 3.94Å; K25-D70 VanDerWaalsContact CD-OD2 3.31Å; K25-D70 WeakPolarHBondContact CD-OD2 3.34Å; K25-D70 WeakPolarHBondContact CE-OD2 3.38Å; K25-D70 HydrophobicContact CG-CB 4.06Å; K25-D70 IonicContact NZ-OD2 2.77Å; K25-D70 PolarHBondContact NZ-OD2 3.43Å; K25-L73 HydrophobicContact CB-CD1 4.43Å
26S88.8Confident82.5Confident49 Ų4967.6 Ų67.634%0.34338%0.384SS..EExtended strand (participates in β ladder)trans-81.1133.7172.258.10000111L66S26-L66 CarbonylContact C-O 3.49Å; S26-L66 VanDerWaalsContact CA-O 3.25Å; S26-L66 WeakPolarHBondContact CA-O 3.41Å
27V87.4Confident82.7Confident72 Ų7265.8 Ų65.844%0.43637%0.369SS..EExtended strand (participates in β ladder)trans-108.4-28.6176.4-68.60000113.4L66 V68V27-L66 HydrophobicContact CG2-CB 4.02Å; V27-L66 PolarHBondContact N-O 3.18Å; V27-V68 HydrophobicContact CB-CG1 4.29Å; V27-V68 HydrophobicContact CG1-CB 4.19Å; V27-V68 HydrophobicContact CG1-CG1 3.6Å; V27-V68 HydrophobicContact CG1-CG2 3.47Å; V27-V68 VanDerWaalsContact CG1-CG2 3.47Å; V27-V68 HydrophobicContact CG2-CG1 3.68Å
28E85.1Confident83.2Confident61 Ų6169.8 Ų69.829%0.28538%0.384SS..EExtended strand (participates in β ladder)trans-144.6146.8-178.2-168.5177.9146.800109.3R30 K65 L66E28-R30 IonicContact OE1-CZ 2.59Å; E28-R30 VanDerWaalsContact OE1-CZ 3.27Å; E28-R30 IonicContact OE1-NE 2.79Å; E28-R30 PolarHBondContact OE1-NE 3.14Å; E28-R30 IonicContact OE1-NH2 3.53Å; E28-R30 PolarHBondContact OE1-NH2 3.3Å; E28-K65 CarbonylContact O-C 3.54Å; E28-K65 VanDerWaalsContact O-CA 3.27Å; E28-K65 WeakPolarHBondContact O-CA 3.42Å; E28-L66 HydrophobicContact CB-CB 4.22Å; E28-L66 HydrophobicContact CB-CD1 4.08Å; E28-L66 HydrophobicContact CB-CG 4.19Å; E28-L66 PolarHBondContact O-N 2.69Å
29I87.6Confident83.6Confident105 Ų10561.3 Ų61.354%0.53834%0.344SS..EExtended strand (participates in β ladder)trans-125.8127.6177.9-53.9179.7000107.9K65I29-K65 HydrophobicContact CG1-CD 4.47Å; I29-K65 HydrophobicContact CG1-CG 4.05Å; I29-K65 HydrophobicContact CG2-CG 4.2Å
30R81.9Confident84Confident73 Ų7359.6 Ų59.628%0.27533%0.332SS..EExtended strand (participates in β ladder)trans-118.7139.3173.4-61.9-163.8178.1-176.12.5110.1E28 V33 F46 T63 C64E28-R30 IonicContact OE1-CZ 2.59Å; E28-R30 VanDerWaalsContact OE1-CZ 3.27Å; E28-R30 IonicContact OE1-NE 2.79Å; E28-R30 PolarHBondContact OE1-NE 3.14Å; E28-R30 IonicContact OE1-NH2 3.53Å; E28-R30 PolarHBondContact OE1-NH2 3.3Å; R30-V33 HydrophobicContact CB-CG2 4.02Å; R30-F46 VanDerWaalsContact NH2-CZ 3.27Å; R30-T63 CarbonylContact O-C 3.24Å; R30-T63 WeakPolarHBondContact O-CA 3.18Å; R30-C64 HydrophobicContact CB-CB 4.37Å; R30-C64 PolarHBondContact N-O 2.88Å; R30-C64 PolarHBondContact O-N 2.98Å
31T84.3Confident84.1Confident115 Ų11556.6 Ų56.671%0.70631%0.311SS*.SBendtrans-107.5156.2177.253.10000110V33 T63T31-V33 VanDerWaalsContact C-N 3.34Å; T31-V33 PolarHBondContact O-N 2.89Å; T31-T63 HydrophobicContact CG2-CG2 4.02Å
32G80.8Confident84.4Confident62 Ų6257 Ų5764%0.63931%0.311SS*.  trans73.522.8178.200000114.3P34 H62G32-P34 WeakPolarHBondContact O-CD 3.49Å; G32-H62 PolarHBondContact N-O 3.43Å
33V78Confident84.6Confident14 Ų1447.2 Ų47.29%0.08528%0.275CS..  trans-85.8112.4174.5-177.90000108.1R30 T31 S35 Q38 C39 Y57 H62 C64R30-V33 HydrophobicContact CB-CG2 4.02Å; T31-V33 VanDerWaalsContact C-N 3.34Å; T31-V33 PolarHBondContact O-N 2.89Å; V33-S35 VanDerWaalsContact C-N 3.32Å; V33-S35 PolarHBondContact O-N 3.41Å; V33-Q38 HydrophobicContact CG1-CB 3.89Å; V33-C39 HydrophobicContact CG1-CB 3.91Å; V33-Y57 HydrophobicContact CB-CE2 4.28Å; V33-Y57 HydrophobicContact CG1-CE2 4.28Å; V33-Y57 VanDerWaalsContact O-CE2 3.24Å; V33-Y57 WeakPolarHBondContact O-CE2 3.32Å; V33-Y57 PolarHBondContact O-OH 3.5Å; V33-H62 PolarHBondContact N-O 2.9Å; V33-H62 WeakPolarHBondContact O-CB 3.45Å; V33-C64 HydrophobicContact CB-CB 3.85Å; V33-C64 HydrophobicContact CG1-CB 4.18Å; V33-C64 HydrophobicContact CG2-CB 3.64Å
34P78.4Confident84.8Confident72 Ų7248.5 Ų48.547%0.46827%0.274SS..  trans-73.8-18.8-164.730.3-38.5000114.3G32 Q38 Y57G32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-Q38 HydrophobicContact CG-CG 4.47Å; P34-Y57 PolarHBondContact O-OH 3.4Å
35S85.6Confident84.7Confident36 Ų3652.1 Ų52.125%0.25230%0.296SS..  trans-146.9158.7179.273.10000113.3V33 E37 Q38 C39 Y57V33-S35 VanDerWaalsContact C-N 3.32Å; V33-S35 PolarHBondContact O-N 3.41Å; S35-E37 PolarHBondContact O-N 3.3Å; S35-Q38 PolarHBondContact O-N 3.17Å; S35-Q38 PolarHBondContact OG-N 2.8Å; S35-C39 PolarHBondContact O-N 3.42Å; S35-C39 VanDerWaalsContact O-N 3.09Å; S35-Y57 VanDerWaalsContact C-CZ 3.48Å; S35-Y57 WeakPolarHBondContact CA-OH 3.49Å; S35-Y57 PolarHBondContact N-OH 3.49Å
36L87Confident84.3Confident17 Ų1751.3 Ų51.39%0.08929%0.293CS..Hα-helixtrans-58.5-37.2171.4173.862.2000111.7M1 I14 C39 L40 V55 Y57 F59 A86M1-L36 HydrophobicContact CE-CD2 4.21Å; I14-L36 HydrophobicContact CD1-CD2 4.16Å; I14-L36 HydrophobicContact CG2-CD2 4.48Å; L36-C39 WeakPolarHBondContact O-CB 2.97Å; L36-C39 PolarHBondContact O-N 3.29Å; L36-L40 HydrophobicContact CD1-CD1 4.28Å; L36-L40 HydrophobicContact CD1-CG 4.45Å; L36-L40 HydrophobicContact CG-CD1 4.14Å; L36-L40 PolarHBondContact O-N 2.82Å; L36-V55 HydrophobicContact CD1-CG2 3.71Å; L36-Y57 HydrophobicContact CB-CD1 3.87Å; L36-Y57 HydrophobicContact CB-CE1 4.35Å; L36-Y57 HydrophobicContact CB-CG 4.18Å; L36-Y57 HydrophobicContact CD1-CD1 4.49Å; L36-Y57 HydrophobicContact CD1-CG 4.15Å; L36-F59 HydrophobicContact CB-CE1 4.32Å; L36-A86 HydrophobicContact CD1-CB 3.87Å; L36-A86 HydrophobicContact CD2-CB 4.44Å
37E83.7Confident83.7Confident61 Ų6152.5 Ų52.529%0.28529%0.293SS..Hα-helixtrans-61-49.8177.5-171.4-164.6150.300111.2E2 L3 E4 S35 C39 L40 T41E2-E37 WeakPolarHBondContact O-CG 3.3Å; L3-E37 HydrophobicContact CD2-CG 3.93Å; E4-E37 PolarHBondContact N-OE1 3.44Å; S35-E37 PolarHBondContact O-N 3.3Å; E37-C39 PolarHBondContact O-N 2.96Å; E37-L40 PolarHBondContact O-N 3.5Å; E37-L40 VanDerWaalsContact O-N 3.1Å; E37-T41 PolarHBondContact O-N 3.12Å; E37-T41 PolarHBondContact O-OG1 2.64Å; E37-T41 VanDerWaalsContact O-OG1 3.14Å
38Q83.6Confident83.1Confident97 Ų9756.5 Ų56.545%0.45331%0.312SS..Hα-helixtrans-63.2-34177.1-71.4-172.418.800111.9V33 P34 S35 T41 V42V33-Q38 HydrophobicContact CG1-CB 3.89Å; P34-Q38 HydrophobicContact CG-CG 4.47Å; S35-Q38 PolarHBondContact O-N 3.17Å; S35-Q38 PolarHBondContact OG-N 2.8Å; Q38-T41 WeakPolarHBondContact O-CB 3.16Å; Q38-T41 PolarHBondContact O-N 3.33Å; Q38-V42 WeakPolarHBondContact O-CG2 3.38Å; Q38-V42 PolarHBondContact O-N 2.92Å
39C87.3Confident82.6Confident0 Ų058.8 Ų58.80%033%0.33CS..Hα-helixtrans-63-44173.9-175.10000111.8V33 S35 L36 E37 V42 C43 V55 Y57 C64V33-C39 HydrophobicContact CG1-CB 3.91Å; S35-C39 PolarHBondContact O-N 3.42Å; S35-C39 VanDerWaalsContact O-N 3.09Å; L36-C39 WeakPolarHBondContact O-CB 2.97Å; L36-C39 PolarHBondContact O-N 3.29Å; E37-C39 PolarHBondContact O-N 2.96Å; C39-V42 WeakPolarHBondContact O-CB 3.45Å; C39-V42 PolarHBondContact O-N 2.97Å; C39-C43 PolarHBondContact O-N 3.15Å; C39-V55 HydrophobicContact CB-CG2 4.27Å; C39-V55 WeakPolarHBondContact O-CG1 3.36Å; C39-V55 WeakPolarHBondContact SG-CB 3.44Å; C39-V55 VanDerWaalsContact SG-CG1 3.6Å; C39-V55 VanDerWaalsContact SG-CG2 3.57Å; C39-Y57 HydrophobicContact CB-CD2 3.78Å; C39-Y57 HydrophobicContact CB-CE2 4.35Å; C39-C64 WeakPolarHBondContact CA-SG 3.38Å; C39-C64 HydrophobicContact CB-CB 3.75Å; C39-C64 WeakPolarHBondContact CB-SG 2.87Å; C39-C64 WeakPolarHBondContact SG-CA 3.33Å; C39-C64 WeakPolarHBondContact SG-CB 3.23Å; C39-C64 CovalentContact SG-SG 2.01Å; C39-C64 PolarHBondContact SG-SG 3.37Å
40L88.3Confident81.9Confident0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-66.1-38.8174.3-75.8161.6000112.5M1 L3 V12 L36 E37 V42 C43 K44 V55 A86 L88M1-L40 HydrophobicContact CE-CD1 4.48Å; M1-L40 HydrophobicContact SD-CD1 3.24Å; M1-L40 WeakPolarHBondContact SD-CD1 3.3Å; L3-L40 HydrophobicContact CD2-CB 3.79Å; V12-L40 HydrophobicContact CG1-CD1 4.05Å; V12-L40 HydrophobicContact CG1-CD2 4.34Å; V12-L40 HydrophobicContact CG2-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CD1 4.28Å; L36-L40 HydrophobicContact CD1-CG 4.45Å; L36-L40 HydrophobicContact CG-CD1 4.14Å; L36-L40 PolarHBondContact O-N 2.82Å; E37-L40 PolarHBondContact O-N 3.5Å; E37-L40 VanDerWaalsContact O-N 3.1Å; L40-V42 VanDerWaalsContact C-N 3.31Å; L40-V42 PolarHBondContact O-N 3.34Å; L40-C43 WeakPolarHBondContact O-CB 3.45Å; L40-C43 PolarHBondContact O-N 3.3Å; L40-K44 WeakPolarHBondContact O-CB 3.4Å; L40-K44 PolarHBondContact O-N 3.14Å; L40-V55 HydrophobicContact CD2-CG1 4.39Å; L40-V55 HydrophobicContact CD2-CG2 3.7Å; L40-V55 HydrophobicContact CG-CG2 3.73Å; L40-A86 HydrophobicContact CD1-CB 4.11Å; L40-A86 HydrophobicContact CD2-CB 4Å; L40-A86 HydrophobicContact CG-CB 4.37Å; L40-L88 HydrophobicContact CD2-CD1 4.32Å; L40-L88 HydrophobicContact CD2-CD2 3.96Å; L40-L88 HydrophobicContact CD2-CG 3.86Å
41T83Confident82Confident19 Ų1958.7 Ų58.712%0.11734%0.337CS..Hα-helixtrans-56-46.7171.8-64.40000110.8A5 L6 E37 Q38 K44 V45A5-T41 HydrophobicContact CB-CG2 3.88Å; L6-T41 HydrophobicContact CD1-CG2 4.11Å; L6-T41 HydrophobicContact CG-CG2 4.09Å; E37-T41 PolarHBondContact O-N 3.12Å; E37-T41 PolarHBondContact O-OG1 2.64Å; E37-T41 VanDerWaalsContact O-OG1 3.14Å; Q38-T41 WeakPolarHBondContact O-CB 3.16Å; Q38-T41 PolarHBondContact O-N 3.33Å; T41-K44 PolarHBondContact O-N 3.45Å; T41-V45 WeakPolarHBondContact O-CG2 3.5Å; T41-V45 PolarHBondContact O-N 3.06Å
42V85.6Confident82.1Confident27 Ų2753.3 Ų53.316%0.16430%0.304CS..Hα-helixtrans-58.9-51.2174.2173.20000110.4Q38 C39 L40 K44 V45 F46 L66Q38-V42 WeakPolarHBondContact O-CG2 3.38Å; Q38-V42 PolarHBondContact O-N 2.92Å; C39-V42 WeakPolarHBondContact O-CB 3.45Å; C39-V42 PolarHBondContact O-N 2.97Å; L40-V42 VanDerWaalsContact C-N 3.31Å; L40-V42 PolarHBondContact O-N 3.34Å; V42-K44 PolarHBondContact O-N 3.11Å; V42-V45 PolarHBondContact O-N 2.9Å; V42-V45 VanDerWaalsContact O-N 3.16Å; V42-F46 HydrophobicContact CG1-CD2 3.75Å; V42-F46 HydrophobicContact CG1-CE2 3.96Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 2.97Å; V42-F46 VanDerWaalsContact O-N 3.07Å; V42-L66 HydrophobicContact CG1-CD1 4.4Å; V42-L66 HydrophobicContact CG1-CD2 4.14Å
43C85.8Confident82.5Confident0 Ų053.4 Ų53.40%029%0.288CS..Hα-helixtrans-54.1-42.5178.5-1780000112.7C39 L40 F46 E47 C52 G54 V55 L66 L88C39-C43 PolarHBondContact O-N 3.15Å; L40-C43 WeakPolarHBondContact O-CB 3.45Å; L40-C43 PolarHBondContact O-N 3.3Å; C43-F46 CarbonylContact O-C 3.52Å; C43-F46 PolarHBondContact O-N 2.92Å; C43-E47 PolarHBondContact O-N 3.12Å; C43-C52 WeakPolarHBondContact CA-SG 3.41Å; C43-C52 HydrophobicContact CB-CB 4.15Å; C43-C52 WeakPolarHBondContact CB-SG 3.42Å; C43-C52 WeakPolarHBondContact O-CB 2.99Å; C43-C52 WeakPolarHBondContact SG-CB 3.27Å; C43-C52 CovalentContact SG-SG 2.03Å; C43-C52 PolarHBondContact SG-SG 3.18Å; C43-G54 PolarHBondContact SG-N 3.35Å; C43-G54 VanDerWaalsContact SG-N 3.39Å; C43-G54 PolarHBondContact SG-O 3.47Å; C43-G54 VanDerWaalsContact SG-O 3.41Å; C43-V55 HydrophobicContact CB-CG1 3.44Å; C43-V55 VanDerWaalsContact CB-CG1 3.44Å; C43-L66 HydrophobicContact CB-CD2 3.91Å; C43-L88 HydrophobicContact CB-CD1 4.34Å
44K85.5Confident83.2Confident48 Ų4852.7 Ų52.721%0.20928%0.284CS..Hα-helixtrans-67.7-40180-171.358.3174171.60112.6L3 L6 L8 L40 T41 V42 F46 E47 L88L3-K44 HydrophobicContact CD1-CB 4.22Å; L3-K44 HydrophobicContact CD1-CG 4.45Å; L6-K44 HydrophobicContact CD1-CB 3.65Å; L6-K44 HydrophobicContact CD1-CG 3.57Å; L8-K44 HydrophobicContact CD1-CD 4.19Å; L8-K44 VanDerWaalsContact CD1-CE 3.49Å; L8-K44 HydrophobicContact CD1-CG 3.71Å; L40-K44 WeakPolarHBondContact O-CB 3.4Å; L40-K44 PolarHBondContact O-N 3.14Å; T41-K44 PolarHBondContact O-N 3.45Å; V42-K44 PolarHBondContact O-N 3.11Å; K44-F46 VanDerWaalsContact C-N 3.25Å; K44-F46 PolarHBondContact O-N 2.84Å; K44-E47 WeakPolarHBondContact CD-OE2 3.29Å; K44-E47 WeakPolarHBondContact CE-OE2 3.26Å; K44-E47 IonicContact NZ-OE1 2.69Å; K44-E47 IonicContact NZ-OE2 2.62Å; K44-E47 PolarHBondContact NZ-OE2 3.36Å; K44-E47 WeakPolarHBondContact O-CB 3.24Å; K44-E47 PolarHBondContact O-N 2.95Å; K44-L88 HydrophobicContact CB-CD1 4.44Å
45V83.2Confident83.8Confident87 Ų8749.3 Ų49.353%0.52726%0.262SS..Hα-helixtrans-61.1-35.3173.2170.40000111.8L6 T41 V42L6-V45 HydrophobicContact CD1-CG2 4.26Å; L6-V45 HydrophobicContact CD2-CG2 3.94Å; T41-V45 WeakPolarHBondContact O-CG2 3.5Å; T41-V45 PolarHBondContact O-N 3.06Å; V42-V45 PolarHBondContact O-N 2.9Å; V42-V45 VanDerWaalsContact O-N 3.16Å
46F79.2Confident84.2Confident63 Ų6347.6 Ų47.628%0.27625%0.25SS..THydrogen-bonded Turntrans-98.913.9-179.1-66.8-80.2000113.8R30 V42 C43 K44 D48 T49 T50 L66R30-F46 VanDerWaalsContact NH2-CZ 3.27Å; V42-F46 HydrophobicContact CG1-CD2 3.75Å; V42-F46 HydrophobicContact CG1-CE2 3.96Å; V42-F46 WeakPolarHBondContact O-CD2 3.47Å; V42-F46 PolarHBondContact O-N 2.97Å; V42-F46 VanDerWaalsContact O-N 3.07Å; C43-F46 CarbonylContact O-C 3.52Å; C43-F46 PolarHBondContact O-N 2.92Å; K44-F46 VanDerWaalsContact C-N 3.25Å; K44-F46 PolarHBondContact O-N 2.84Å; F46-D48 PolarHBondContact O-N 2.9Å; F46-T49 WeakPolarHBondContact CA-OG1 3.07Å; F46-T49 WeakPolarHBondContact CD1-OG1 3.49Å; F46-T49 PolarHBondContact O-N 2.79Å; F46-T49 PolarHBondContact O-OG1 3.47Å; F46-T50 HydrophobicContact CB-CG2 4.14Å; F46-T50 PolarHBondContact O-N 2.94Å; F46-T50 PolarHBondContact O-OG1 3.23Å; F46-L66 HydrophobicContact CB-CD1 4.48Å
47E77.3Confident84.4Confident74 Ų7446.9 Ų46.935%0.34625%0.246SC..Hα-helixtrans-57.8-47.7-176.3-176.1176.1-153.600111.4C43 K44 T49 L51C43-E47 PolarHBondContact O-N 3.12Å; K44-E47 WeakPolarHBondContact CD-OE2 3.29Å; K44-E47 WeakPolarHBondContact CE-OE2 3.26Å; K44-E47 IonicContact NZ-OE1 2.69Å; K44-E47 IonicContact NZ-OE2 2.62Å; K44-E47 PolarHBondContact NZ-OE2 3.36Å; K44-E47 WeakPolarHBondContact O-CB 3.24Å; K44-E47 PolarHBondContact O-N 2.95Å; E47-T49 PolarHBondContact O-N 3.27Å; E47-L51 WeakPolarHBondContact O-CA 3.36Å; E47-L51 PolarHBondContact O-N 3.36Å
48D73.5Confident84.8Confident156 Ų15644 Ų4483%0.83423%0.233SC*.Hα-helixtrans-70.9-31.1-178.4-69.6-33.7000113.5F46F46-D48 PolarHBondContact O-N 2.9Å
49T74.6Confident85.1Confident108 Ų10844 Ų4466%0.66323%0.231SC*.Hα-helixtrans-87.7-38.9-174.649.50000112.6F46 E47F46-T49 WeakPolarHBondContact CA-OG1 3.07Å; F46-T49 WeakPolarHBondContact CD1-OG1 3.49Å; F46-T49 PolarHBondContact O-N 2.79Å; F46-T49 PolarHBondContact O-OG1 3.47Å; E47-T49 PolarHBondContact O-N 3.27Å
50T73.4Confident85.1Confident37 Ų3750.6 Ų50.623%0.22727%0.266CS..Hα-helixtrans-109-4.6-17462.80000113.4F46 C52 V68F46-T50 HydrophobicContact CB-CG2 4.14Å; F46-T50 PolarHBondContact O-N 2.94Å; F46-T50 PolarHBondContact O-OG1 3.23Å; T50-C52 PolarHBondContact O-N 3.2Å; T50-C52 WeakPolarHBondContact OG1-CB 3.37Å; T50-V68 WeakPolarHBondContact O-CG1 3.4Å
51L85Confident85.2Confident140 Ų14056.7 Ų56.773%0.73329%0.294SS*.  trans55.635.3-169.5-61.1165.4000111.5E47 M53 V68E47-L51 WeakPolarHBondContact O-CA 3.36Å; E47-L51 PolarHBondContact O-N 3.36Å; L51-M53 PolarHBondContact O-N 2.03Å; L51-V68 WeakPolarHBondContact O-CG1 2.96Å
52C85.6Confident85.4Confident2 Ų259.9 Ų59.91%0.01431%0.308CS..  trans-63.8118.1-177.7-1680000110.1C43 T50 G54C43-C52 WeakPolarHBondContact CA-SG 3.41Å; C43-C52 HydrophobicContact CB-CB 4.15Å; C43-C52 WeakPolarHBondContact CB-SG 3.42Å; C43-C52 WeakPolarHBondContact O-CB 2.99Å; C43-C52 WeakPolarHBondContact SG-CB 3.27Å; C43-C52 CovalentContact SG-SG 2.03Å; C43-C52 PolarHBondContact SG-SG 3.18Å; T50-C52 PolarHBondContact O-N 3.2Å; T50-C52 WeakPolarHBondContact OG1-CB 3.37Å; C52-G54 PolarHBondContact SG-O 2.96Å
53M89.6Confident85.5Confident63 Ų6359.1 Ų59.131%0.3130%0.303SS..  trans-101.1-10.5178.874.1176.8-58.800112.8V24 L51 M67 V68 S69 V87 L88V24-M53 HydrophobicContact CG1-SD 4.14Å; L51-M53 PolarHBondContact O-N 2.03Å; M53-M67 WeakPolarHBondContact CG-O 3.05Å; M53-M67 PolarHBondContact N-O 2.87Å; M53-V68 VanDerWaalsContact SD-C 3.57Å; M53-S69 WeakPolarHBondContact SD-CA 3.34Å; M53-S69 VanDerWaalsContact SD-CB 3.51Å; M53-S69 PolarHBondContact SD-N 2.92Å; M53-V87 HydrophobicContact CE-CG1 3.94Å; M53-L88 PolarHBondContact O-N 3.13Å
54G91.1Very high85.7Confident0 Ų059.1 Ų59.10%030%0.303CS..EExtended strand (participates in β ladder)trans172.9-175.7-173.400000112C43 C52 M67 A86C43-G54 PolarHBondContact SG-N 3.35Å; C43-G54 VanDerWaalsContact SG-N 3.39Å; C43-G54 PolarHBondContact SG-O 3.47Å; C43-G54 VanDerWaalsContact SG-O 3.41Å; C52-G54 PolarHBondContact SG-O 2.96Å; G54-M67 PolarHBondContact N-O 3.33Å; G54-M67 WeakPolarHBondContact O-CA 3.48Å; G54-M67 WeakPolarHBondContact O-CB 3.5Å; G54-M67 PolarHBondContact O-N 2.9Å; G54-A86 CarbonylContact C-O 3.28Å; G54-A86 WeakPolarHBondContact CA-O 3.47Å
55V92.3Very high86Confident0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-137.3150.8-176.5-58.90000112.4L36 C39 L40 C43 K65 L66 L85 A86L36-V55 HydrophobicContact CD1-CG2 3.71Å; C39-V55 HydrophobicContact CB-CG2 4.27Å; C39-V55 WeakPolarHBondContact O-CG1 3.36Å; C39-V55 WeakPolarHBondContact SG-CB 3.44Å; C39-V55 VanDerWaalsContact SG-CG1 3.6Å; C39-V55 VanDerWaalsContact SG-CG2 3.57Å; L40-V55 HydrophobicContact CD2-CG1 4.39Å; L40-V55 HydrophobicContact CD2-CG2 3.7Å; L40-V55 HydrophobicContact CG-CG2 3.73Å; C43-V55 HydrophobicContact CB-CG1 3.44Å; C43-V55 VanDerWaalsContact CB-CG1 3.44Å; V55-K65 CarbonylContact C-O 3.51Å; V55-K65 VanDerWaalsContact CA-O 3.27Å; V55-K65 WeakPolarHBondContact CA-O 3.42Å; V55-L66 HydrophobicContact CG1-CD2 3.93Å; V55-L85 CarbonylContact O-C 3.54Å; V55-L85 WeakPolarHBondContact O-CA 3.46Å; V55-A86 HydrophobicContact CG2-CB 4.03Å; V55-A86 PolarHBondContact N-O 2.84Å; V55-A86 PolarHBondContact O-N 2.8Å
56H93Very high86.4Confident1 Ų154.6 Ų54.61%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-112.7112.8166.8173-91.3000109.3K65 M67 Y77 E83 S84 L85H56-K65 HydrophobicContact CB-CB 4.18Å; H56-K65 PolarHBondContact N-O 2.03Å; H56-K65 PolarHBondContact O-N 3.38Å; H56-M67 HydrophobicContact CB-CE 4.46Å; H56-M67 HydrophobicContact CB-CG 3.99Å; H56-M67 HydrophobicContact CB-SD 3.75Å; H56-Y77 HydrophobicContact CB-CE1 4.25Å; H56-Y77 AromaticContact CD2-CE1 3.66Å; H56-Y77 AromaticContact CG-CE1 3.77Å; H56-Y77 AromaticContact NE2-CE1 3.95Å; H56-E83 IonicContact CE1-OE1 3.32Å; H56-E83 PolarHBondContact CE1-OE1 2.7Å; H56-E83 IonicContact CE1-OE2 3.24Å; H56-E83 PolarHBondContact CE1-OE2 3.01Å; H56-E83 VanDerWaalsContact CE1-OE2 3.24Å; H56-E83 IonicContact NE2-OE1 3.98Å; H56-E83 IonicContact NE2-OE2 3.12Å; H56-E83 PolarHBondContact NE2-OE2 3.13Å; H56-E83 VanDerWaalsContact NE2-OE2 3.12Å; H56-S84 CarbonylContact C-O 3.59Å; H56-S84 VanDerWaalsContact CA-O 3.28Å; H56-S84 WeakPolarHBondContact CA-O 3.35Å; H56-L85 HydrophobicContact CB-CD1 4.02Å
57Y92.4Very high86.9Confident2 Ų251.7 Ų51.71%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-115.1126.2-171.1-174.8-104.1000111.5V33 P34 S35 L36 C39 F59 H62 T63 C64 E83 S84V33-Y57 HydrophobicContact CB-CE2 4.28Å; V33-Y57 HydrophobicContact CG1-CE2 4.28Å; V33-Y57 VanDerWaalsContact O-CE2 3.24Å; V33-Y57 WeakPolarHBondContact O-CE2 3.32Å; V33-Y57 PolarHBondContact O-OH 3.5Å; P34-Y57 PolarHBondContact O-OH 3.4Å; S35-Y57 VanDerWaalsContact C-CZ 3.48Å; S35-Y57 WeakPolarHBondContact CA-OH 3.49Å; S35-Y57 PolarHBondContact N-OH 3.49Å; L36-Y57 HydrophobicContact CB-CD1 3.87Å; L36-Y57 HydrophobicContact CB-CE1 4.35Å; L36-Y57 HydrophobicContact CB-CG 4.18Å; L36-Y57 HydrophobicContact CD1-CD1 4.49Å; L36-Y57 HydrophobicContact CD1-CG 4.15Å; C39-Y57 HydrophobicContact CB-CD2 3.78Å; C39-Y57 HydrophobicContact CB-CE2 4.35Å; Y57-F59 AromaticContact CD1-CD1 3.77Å; Y57-F59 HydrophobicContact CD1-CD1 3.77Å; Y57-F59 AromaticContact CD1-CE1 3.79Å; Y57-F59 HydrophobicContact CD1-CE1 3.79Å; Y57-F59 HydrophobicContact CD1-CG 4.17Å; Y57-F59 HydrophobicContact CD1-CZ 4.22Å; Y57-F59 HydrophobicContact CE1-CB 4.48Å; Y57-F59 AromaticContact CE1-CD1 3.53Å; Y57-F59 HydrophobicContact CE1-CD1 3.53Å; Y57-F59 AromaticContact CE1-CE1 3.89Å; Y57-F59 HydrophobicContact CE1-CE1 3.89Å; Y57-F59 HydrophobicContact CE1-CG 4.09Å; Y57-H62 PolarHBondContact OH-ND1 2.8Å; Y57-H62 VanDerWaalsContact OH-ND1 3.16Å; Y57-T63 WeakPolarHBondContact CA-O 3.47Å; Y57-T63 WeakPolarHBondContact CD2-O 3.36Å; Y57-C64 HydrophobicContact CD2-CB 4.3Å; Y57-E83 CarbonylContact O-C 3.58Å; Y57-E83 VanDerWaalsContact O-CA 3.27Å; Y57-E83 WeakPolarHBondContact O-CA 3.35Å; Y57-S84 PolarHBondContact N-O 2.75Å; Y57-S84 PolarHBondContact O-N 2.74Å; Y57-S84 PolarHBondContact O-OG 2.03Å
58S92Very high87.5Confident0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-93.2122.1167.5170.20000109.7L60 E61 H62 T63 D82S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact OG-N 2.99Å; S58-E61 PolarHBondContact OG-N 3.14Å; S58-E61 VanDerWaalsContact OG-N 3.08Å; S58-H62 WeakPolarHBondContact O-CA 3.35Å; S58-H62 PolarHBondContact O-N 3.1Å; S58-H62 VanDerWaalsContact O-N 3.09Å; S58-T63 WeakPolarHBondContact CB-OG1 3.46Å; S58-T63 PolarHBondContact N-O 2.86Å; S58-T63 PolarHBondContact O-N 2.92Å; S58-D82 PolarHBondContact OG-OD2 2.92Å
59F88.4Confident88Confident98 Ų9845.4 Ų45.443%0.4324%0.24SC..THydrogen-bonded Turntrans-71-30.3176.7-63-78.3000112.1L36 Y57 D82 S84L36-F59 HydrophobicContact CB-CE1 4.32Å; Y57-F59 AromaticContact CD1-CD1 3.77Å; Y57-F59 HydrophobicContact CD1-CD1 3.77Å; Y57-F59 AromaticContact CD1-CE1 3.79Å; Y57-F59 HydrophobicContact CD1-CE1 3.79Å; Y57-F59 HydrophobicContact CD1-CG 4.17Å; Y57-F59 HydrophobicContact CD1-CZ 4.22Å; Y57-F59 HydrophobicContact CE1-CB 4.48Å; Y57-F59 AromaticContact CE1-CD1 3.53Å; Y57-F59 HydrophobicContact CE1-CD1 3.53Å; Y57-F59 AromaticContact CE1-CE1 3.89Å; Y57-F59 HydrophobicContact CE1-CE1 3.89Å; Y57-F59 HydrophobicContact CE1-CG 4.09Å; F59-D82 WeakPolarHBondContact CD2-O 3.41Å; F59-D82 PolarHBondContact N-O 2.79Å; F59-S84 WeakPolarHBondContact CE2-OG 3.42Å; F59-S84 WeakPolarHBondContact CZ-OG 3.23Å
60L88.3Confident88.4Confident137 Ų13741.8 Ų41.872%0.71722%0.216SC*.THydrogen-bonded Turntrans-80.6-43.8-177.8-174.964.6000112.1S58 D82S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact OG-N 2.99Å; L60-D82 HydrophobicContact CB-CB 4.33Å; L60-D82 VanDerWaalsContact CB-OD2 3.25Å; L60-D82 WeakPolarHBondContact CB-OD2 3.06Å
61E89.6Confident88.4Confident128 Ų12845 Ų4560%0.59825%0.247SC*.THydrogen-bonded Turntrans-90.5-7.1-176.8-57.9-170.8156.900113.2S58 T63S58-E61 PolarHBondContact OG-N 3.14Å; S58-E61 VanDerWaalsContact OG-N 3.08Å; E61-T63 HydrophobicContact CB-CG2 3.7Å; E61-T63 PolarHBondContact O-N 2.97Å
62H88.7Confident87.8Confident86 Ų8646.7 Ų46.740%0.39825%0.251SS..THydrogen-bonded Turntrans5139.3-171.3-63.2-64.3000112G32 V33 Y57 S58G32-H62 PolarHBondContact N-O 3.43Å; V33-H62 PolarHBondContact N-O 2.9Å; V33-H62 WeakPolarHBondContact O-CB 3.45Å; Y57-H62 PolarHBondContact OH-ND1 2.8Å; Y57-H62 VanDerWaalsContact OH-ND1 3.16Å; S58-H62 WeakPolarHBondContact O-CA 3.35Å; S58-H62 PolarHBondContact O-N 3.1Å; S58-H62 VanDerWaalsContact O-N 3.09Å
63T87.9Confident87.1Confident12 Ų1249.3 Ų49.37%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-100.6134.317962.10000110.8R30 T31 Y57 S58 E61R30-T63 CarbonylContact O-C 3.24Å; R30-T63 WeakPolarHBondContact O-CA 3.18Å; T31-T63 HydrophobicContact CG2-CG2 4.02Å; Y57-T63 WeakPolarHBondContact CA-O 3.47Å; Y57-T63 WeakPolarHBondContact CD2-O 3.36Å; S58-T63 WeakPolarHBondContact CB-OG1 3.46Å; S58-T63 PolarHBondContact N-O 2.86Å; S58-T63 PolarHBondContact O-N 2.92Å; E61-T63 HydrophobicContact CB-CG2 3.7Å; E61-T63 PolarHBondContact O-N 2.97Å
64C88.8Confident86Confident0 Ų057.4 Ų57.40%029%0.291CS..EExtended strand (participates in β ladder)trans-118.4113.5-178.8175.40000109R30 V33 C39 Y57R30-C64 HydrophobicContact CB-CB 4.37Å; R30-C64 PolarHBondContact N-O 2.88Å; R30-C64 PolarHBondContact O-N 2.98Å; V33-C64 HydrophobicContact CB-CB 3.85Å; V33-C64 HydrophobicContact CG1-CB 4.18Å; V33-C64 HydrophobicContact CG2-CB 3.64Å; C39-C64 WeakPolarHBondContact CA-SG 3.38Å; C39-C64 HydrophobicContact CB-CB 3.75Å; C39-C64 WeakPolarHBondContact CB-SG 2.87Å; C39-C64 WeakPolarHBondContact SG-CA 3.33Å; C39-C64 WeakPolarHBondContact SG-CB 3.23Å; C39-C64 CovalentContact SG-SG 2.01Å; C39-C64 PolarHBondContact SG-SG 3.37Å; Y57-C64 HydrophobicContact CD2-CB 4.3Å
65K92.7Very high85Confident40 Ų4061.2 Ų61.217%0.17432%0.318CS..EExtended strand (participates in β ladder)trans-105.1122.4176-49.3179.4-172.3156.80108.9E28 I29 V55 H56 M67 Y77E28-K65 CarbonylContact O-C 3.54Å; E28-K65 VanDerWaalsContact O-CA 3.27Å; E28-K65 WeakPolarHBondContact O-CA 3.42Å; I29-K65 HydrophobicContact CG1-CD 4.47Å; I29-K65 HydrophobicContact CG1-CG 4.05Å; I29-K65 HydrophobicContact CG2-CG 4.2Å; V55-K65 CarbonylContact C-O 3.51Å; V55-K65 VanDerWaalsContact CA-O 3.27Å; V55-K65 WeakPolarHBondContact CA-O 3.42Å; H56-K65 HydrophobicContact CB-CB 4.18Å; H56-K65 PolarHBondContact N-O 2.03Å; H56-K65 PolarHBondContact O-N 3.38Å; K65-M67 HydrophobicContact CB-SD 4.36Å; K65-Y77 WeakPolarHBondContact CD-OH 3.47Å
66L90.2Very high84.2Confident0 Ų062.7 Ų62.70%033%0.333CS..EExtended strand (participates in β ladder)trans-75.8130.6175.6-58.8-171000109.4S26 V27 E28 V42 C43 F46 V55S26-L66 CarbonylContact C-O 3.49Å; S26-L66 VanDerWaalsContact CA-O 3.25Å; S26-L66 WeakPolarHBondContact CA-O 3.41Å; V27-L66 HydrophobicContact CG2-CB 4.02Å; V27-L66 PolarHBondContact N-O 3.18Å; E28-L66 HydrophobicContact CB-CB 4.22Å; E28-L66 HydrophobicContact CB-CD1 4.08Å; E28-L66 HydrophobicContact CB-CG 4.19Å; E28-L66 PolarHBondContact O-N 2.69Å; V42-L66 HydrophobicContact CG1-CD1 4.4Å; V42-L66 HydrophobicContact CG1-CD2 4.14Å; C43-L66 HydrophobicContact CB-CD2 3.91Å; F46-L66 HydrophobicContact CB-CD1 4.48Å; V55-L66 HydrophobicContact CG1-CD2 3.93Å
67M90.4Very high83.7Confident2 Ų264.6 Ų64.61%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-112.4137.2-172.9-54.3-62.5-71.500110.3V24 K25 M53 G54 H56 K65 Y77 L85V24-M67 HydrophobicContact CB-CE 3.98Å; V24-M67 HydrophobicContact CG2-CE 3.78Å; K25-M67 WeakPolarHBondContact O-CA 3.23Å; M53-M67 WeakPolarHBondContact CG-O 3.05Å; M53-M67 PolarHBondContact N-O 2.87Å; G54-M67 PolarHBondContact N-O 3.33Å; G54-M67 WeakPolarHBondContact O-CA 3.48Å; G54-M67 WeakPolarHBondContact O-CB 3.5Å; G54-M67 PolarHBondContact O-N 2.9Å; H56-M67 HydrophobicContact CB-CE 4.46Å; H56-M67 HydrophobicContact CB-CG 3.99Å; H56-M67 HydrophobicContact CB-SD 3.75Å; K65-M67 HydrophobicContact CB-SD 4.36Å; M67-Y77 HydrophobicContact CE-CD1 4.04Å; M67-Y77 HydrophobicContact CE-CD2 3.84Å; M67-Y77 HydrophobicContact CE-CE1 3.91Å; M67-Y77 HydrophobicContact CE-CE2 3.69Å; M67-Y77 HydrophobicContact CE-CG 4Å; M67-Y77 HydrophobicContact SD-CE2 4.47Å; M67-L85 HydrophobicContact CE-CD1 4.04Å; M67-L85 HydrophobicContact CG-CD1 3.8Å
68V90.3Very high83.3Confident12 Ų1272.9 Ų72.97%0.07338%0.377CS..EExtended strand (participates in β ladder)trans-123.5159.3173.9-53.80000110.3V24 K25 V27 T50 L51 M53V24-V68 WeakPolarHBondContact CA-O 3.32Å; K25-V68 HydrophobicContact CD-CG2 4.16Å; K25-V68 HydrophobicContact CG-CG2 3.52Å; K25-V68 PolarHBondContact N-O 2.83Å; K25-V68 PolarHBondContact O-N 3.33Å; V27-V68 HydrophobicContact CB-CG1 4.29Å; V27-V68 HydrophobicContact CG1-CB 4.19Å; V27-V68 HydrophobicContact CG1-CG1 3.6Å; V27-V68 HydrophobicContact CG1-CG2 3.47Å; V27-V68 VanDerWaalsContact CG1-CG2 3.47Å; V27-V68 HydrophobicContact CG2-CG1 3.68Å; T50-V68 WeakPolarHBondContact O-CG1 3.4Å; L51-V68 WeakPolarHBondContact O-CG1 2.96Å; M53-V68 VanDerWaalsContact SD-C 3.57Å
69S83.8Confident83Confident86 Ų8673.1 Ų73.160%0.60138%0.378SS*.EExtended strand (participates in β ladder)trans-71.8134.2174.373.20000110.5M53M53-S69 WeakPolarHBondContact SD-CA 3.34Å; M53-S69 VanDerWaalsContact SD-CB 3.51Å; M53-S69 PolarHBondContact SD-N 2.92Å
70D83.5Confident82.9Confident31 Ų3169.1 Ų69.117%0.16637%0.365CS..  trans-140.492.3170.3-166.4-33000109.4G23 K25 Q72 L73G23-D70 CarbonylContact C-O 3.47Å; G23-D70 VanDerWaalsContact CA-O 3.26Å; G23-D70 WeakPolarHBondContact CA-O 3.41Å; G23-D70 PolarHBondContact O-N 3.36Å; K25-D70 HydrophobicContact CB-CB 4.5Å; K25-D70 HydrophobicContact CD-CB 3.94Å; K25-D70 VanDerWaalsContact CD-OD2 3.31Å; K25-D70 WeakPolarHBondContact CD-OD2 3.34Å; K25-D70 WeakPolarHBondContact CE-OD2 3.38Å; K25-D70 HydrophobicContact CG-CB 4.06Å; K25-D70 IonicContact NZ-OD2 2.77Å; K25-D70 PolarHBondContact NZ-OD2 3.43Å; D70-Q72 PolarHBondContact O-N 3.18Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.39Å; D70-Q72 PolarHBondContact OD1-N 2.92Å; D70-L73 HydrophobicContact CB-CD1 3.87Å; D70-L73 VanDerWaalsContact CG-CD1 3.48Å; D70-L73 PolarHBondContact O-N 2.83Å; D70-L73 VanDerWaalsContact O-N 3.11Å; D70-L73 WeakPolarHBondContact OD2-CD1 3.34Å
71A71.9Confident82.6Confident106 Ų10667.4 Ų67.488%0.87636%0.362SS*.THydrogen-bonded Turntrans-62-14.2-178.800000113.8
72Q73Confident82.5Confident175 Ų17564 Ų6482%0.81835%0.347SS*.THydrogen-bonded Turntrans-87-15.6178.8-57.4-155.34.400113D70 R74D70-Q72 PolarHBondContact O-N 3.18Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.39Å; D70-Q72 PolarHBondContact OD1-N 2.92Å; Q72-R74 PolarHBondContact O-N 2.64Å; Q72-R74 VanDerWaalsContact O-N 3.09Å
73L71.3Confident82.6Confident56 Ų5661.4 Ų61.429%0.29334%0.336SS..  trans-74.3101.7176.6-103.594.3000111.5K25 D70K25-L73 HydrophobicContact CB-CD1 4.43Å; D70-L73 HydrophobicContact CB-CD1 3.87Å; D70-L73 VanDerWaalsContact CG-CD1 3.48Å; D70-L73 PolarHBondContact O-N 2.83Å; D70-L73 VanDerWaalsContact O-N 3.11Å; D70-L73 WeakPolarHBondContact OD2-CD1 3.34Å
74R66.7Low82.8Confident233 Ų23360.9 Ų60.988%0.87933%0.332SS*.  trans-79.9-24.9173.4-65-171.6179.6-1630.1113.4Q72Q72-R74 PolarHBondContact O-N 2.64Å; Q72-R74 VanDerWaalsContact O-N 3.09Å
75S70Confident83Confident81 Ų8161.1 Ų61.157%0.56633%0.333SS*.SBendtrans-72.9131.4175.851.30000110.1Y77S75-Y77 PolarHBondContact O-N 2.83Å
76G74.5Confident82.9Confident30 Ų3059.2 Ų59.231%0.30933%0.325SS..PPolyproline II helixtrans-67.3126.3172.100000110.9A21 K78A21-G76 CarbonylContact O-C 3.56Å; A21-G76 WeakPolarHBondContact O-CA 3.29Å; G76-K78 PolarHBondContact O-N 2.9Å
77Y82.8Confident83Confident42 Ų4260.8 Ų60.817%0.16534%0.335CS..EExtended strand (participates in β ladder)trans-64.5119.7166.3-168.4-85.2000108.5S20 A21 V24 H56 K65 M67 S75 I79S20-Y77 CarbonylContact C-O 3.52Å; S20-Y77 VanDerWaalsContact CA-O 3.24Å; S20-Y77 WeakPolarHBondContact CA-O 3.38Å; A21-Y77 PolarHBondContact N-O 3.37Å; A21-Y77 WeakPolarHBondContact O-CB 3.34Å; A21-Y77 PolarHBondContact O-N 3Å; V24-Y77 HydrophobicContact CG2-CG 4.25Å; H56-Y77 HydrophobicContact CB-CE1 4.25Å; H56-Y77 AromaticContact CD2-CE1 3.66Å; H56-Y77 AromaticContact CG-CE1 3.77Å; H56-Y77 AromaticContact NE2-CE1 3.95Å; K65-Y77 WeakPolarHBondContact CD-OH 3.47Å; M67-Y77 HydrophobicContact CE-CD1 4.04Å; M67-Y77 HydrophobicContact CE-CD2 3.84Å; M67-Y77 HydrophobicContact CE-CE1 3.91Å; M67-Y77 HydrophobicContact CE-CE2 3.69Å; M67-Y77 HydrophobicContact CE-CG 4Å; M67-Y77 HydrophobicContact SD-CE2 4.47Å; S75-Y77 PolarHBondContact O-N 2.83Å; Y77-I79 HydrophobicContact CD1-CG1 4.44Å
78K85.1Confident82.9Confident176 Ų17661.7 Ų61.777%0.76534%0.34SS*.EExtended strand (participates in β ladder)trans-80.7137.2-177.9-65.8-173.2177.3-173.70110.1G76G76-K78 PolarHBondContact O-N 2.9Å
79I86.2Confident82.7Confident4 Ų466.5 Ų66.52%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-116.1125.8174.8-56.8158000106T15 G17 E18 S19 A21 Y77 E83 L85T15-I79 HydrophobicContact CG2-CD1 4.12Å; G17-I79 WeakPolarHBondContact O-CG2 3.44Å; E18-I79 VanDerWaalsContact CA-O 3.3Å; E18-I79 WeakPolarHBondContact CA-O 3.49Å; S19-I79 PolarHBondContact N-O 2.85Å; S19-I79 PolarHBondContact O-N 3.1Å; S19-I79 VanDerWaalsContact OG-CD1 3.25Å; S19-I79 WeakPolarHBondContact OG-CD1 3.45Å; A21-I79 HydrophobicContact CB-CD1 4.27Å; Y77-I79 HydrophobicContact CD1-CG1 4.44Å; I79-E83 HydrophobicContact CG2-CB 3.87Å; I79-L85 HydrophobicContact CD1-CB 3.44Å; I79-L85 VanDerWaalsContact CD1-CB 3.44Å; I79-L85 HydrophobicContact CD1-CD2 3.95Å; I79-L85 HydrophobicContact CD1-CG 4.33Å; I79-L85 HydrophobicContact CG1-CB 4.04Å
80G85.4Confident82.8Confident15 Ų1565.1 Ų65.116%0.15535%0.35CS..  trans-75.4172179.400000113.9G17 D82 E83G17-G80 CarbonylContact C-O 3.45Å; G17-G80 VanDerWaalsContact C-O 3.24Å; G17-G80 WeakPolarHBondContact CA-O 2.98Å; G80-D82 VanDerWaalsContact C-N 3.29Å; G80-D82 PolarHBondContact O-N 2.86Å; G80-E83 WeakPolarHBondContact CA-OE2 3.01Å; G80-E83 PolarHBondContact N-OE2 3.06Å; G80-E83 PolarHBondContact O-N 2.84Å
81P82Confident82.7Confident101 Ų10165.3 Ų65.366%0.65635%0.353SS*.THydrogen-bonded Turntrans-65.9-29.1-178.227.4-34.5000113.6
82D87.6Confident83.1Confident55 Ų5564.6 Ų64.629%0.29434%0.338SS..THydrogen-bonded Turntrans-102.917.4177.266.7-64.7000112.6S58 F59 L60 G80S58-D82 PolarHBondContact OG-OD2 2.92Å; F59-D82 WeakPolarHBondContact CD2-O 3.41Å; F59-D82 PolarHBondContact N-O 2.79Å; L60-D82 HydrophobicContact CB-CB 4.33Å; L60-D82 VanDerWaalsContact CB-OD2 3.25Å; L60-D82 WeakPolarHBondContact CB-OD2 3.06Å; G80-D82 VanDerWaalsContact C-N 3.29Å; G80-D82 PolarHBondContact O-N 2.86Å
83E91.7Very high83.1Confident33 Ų3364.1 Ų64.115%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-118.5155-177-54.1-177.1136.300110.5G17 H56 Y57 I79 G80G17-E83 PolarHBondContact N-O 3.4Å; G17-E83 VanDerWaalsContact N-O 3.13Å; H56-E83 IonicContact CE1-OE1 3.32Å; H56-E83 PolarHBondContact CE1-OE1 2.7Å; H56-E83 IonicContact CE1-OE2 3.24Å; H56-E83 PolarHBondContact CE1-OE2 3.01Å; H56-E83 VanDerWaalsContact CE1-OE2 3.24Å; H56-E83 IonicContact NE2-OE1 3.98Å; H56-E83 IonicContact NE2-OE2 3.12Å; H56-E83 PolarHBondContact NE2-OE2 3.13Å; H56-E83 VanDerWaalsContact NE2-OE2 3.12Å; Y57-E83 CarbonylContact O-C 3.58Å; Y57-E83 VanDerWaalsContact O-CA 3.27Å; Y57-E83 WeakPolarHBondContact O-CA 3.35Å; I79-E83 HydrophobicContact CG2-CB 3.87Å; G80-E83 WeakPolarHBondContact CA-OE2 3.01Å; G80-E83 PolarHBondContact N-OE2 3.06Å; G80-E83 PolarHBondContact O-N 2.84Å
84S91.4Very high82.7Confident0 Ų065.5 Ų65.50%034%0.337CS..EExtended strand (participates in β ladder)trans-134.6139.9174.855.70000110.3T15 H56 Y57 F59T15-S84 CarbonylContact O-C 3.29Å; T15-S84 WeakPolarHBondContact O-CA 3.22Å; H56-S84 CarbonylContact C-O 3.59Å; H56-S84 VanDerWaalsContact CA-O 3.28Å; H56-S84 WeakPolarHBondContact CA-O 3.35Å; Y57-S84 PolarHBondContact N-O 2.75Å; Y57-S84 PolarHBondContact O-N 2.74Å; Y57-S84 PolarHBondContact O-OG 2.03Å; F59-S84 WeakPolarHBondContact CE2-OG 3.42Å; F59-S84 WeakPolarHBondContact CZ-OG 3.23Å
85L92.5Very high81.7Confident5 Ų560.4 Ų60.43%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-106.1116.7167.1-178.474000108.2I14 T15 A21 V24 V55 H56 M67 I79I14-L85 CarbonylContact C-O 3.55Å; I14-L85 WeakPolarHBondContact CA-O 3.35Å; T15-L85 PolarHBondContact N-O 2.78Å; T15-L85 PolarHBondContact O-N 2.86Å; A21-L85 HydrophobicContact CB-CD2 3.24Å; V24-L85 HydrophobicContact CG2-CD2 4.33Å; V55-L85 CarbonylContact O-C 3.54Å; V55-L85 WeakPolarHBondContact O-CA 3.46Å; H56-L85 HydrophobicContact CB-CD1 4.02Å; M67-L85 HydrophobicContact CE-CD1 4.04Å; M67-L85 HydrophobicContact CG-CD1 3.8Å; I79-L85 HydrophobicContact CD1-CB 3.44Å; I79-L85 VanDerWaalsContact CD1-CB 3.44Å; I79-L85 HydrophobicContact CD1-CD2 3.95Å; I79-L85 HydrophobicContact CD1-CG 4.33Å; I79-L85 HydrophobicContact CG1-CB 4.04Å
86A91.7Very high80.5Confident0 Ų060.3 Ų60.30%033%0.33CS..EExtended strand (participates in β ladder)trans-115.1119.6-179.800000110.1V12 E13 I14 L36 L40 G54 V55V12-A86 HydrophobicContact CG1-CB 3.73Å; E13-A86 CarbonylContact O-C 3.5Å; E13-A86 WeakPolarHBondContact O-CA 3.46Å; I14-A86 HydrophobicContact CG1-CB 4.13Å; L36-A86 HydrophobicContact CD1-CB 3.87Å; L36-A86 HydrophobicContact CD2-CB 4.44Å; L40-A86 HydrophobicContact CD1-CB 4.11Å; L40-A86 HydrophobicContact CD2-CB 4Å; L40-A86 HydrophobicContact CG-CB 4.37Å; G54-A86 CarbonylContact C-O 3.28Å; G54-A86 WeakPolarHBondContact CA-O 3.47Å; V55-A86 HydrophobicContact CG2-CB 4.03Å; V55-A86 PolarHBondContact N-O 2.84Å; V55-A86 PolarHBondContact O-N 2.8Å
87V91Very high79Confident33 Ų3367.3 Ų67.320%0.236%0.355CS..EExtended strand (participates in β ladder)trans-106127180-178.80000109.5V12 E13 M53 K89V12-V87 WeakPolarHBondContact CA-O 3.28Å; E13-V87 PolarHBondContact N-O 3.1Å; E13-V87 PolarHBondContact O-N 3.39Å; M53-V87 HydrophobicContact CE-CG1 3.94Å; V87-K89 PolarHBondContact O-N 2.99Å
88L87.8Confident76.8Confident22 Ų2273.6 Ų73.612%0.11539%0.385CS..EExtended strand (participates in β ladder)trans-76119.8174.6-70.3164000108.7C10 V12 L40 C43 K44 M53C10-L88 HydrophobicContact CB-CD2 3.85Å; V12-L88 HydrophobicContact CG2-CD2 4.04Å; L40-L88 HydrophobicContact CD2-CD1 4.32Å; L40-L88 HydrophobicContact CD2-CD2 3.96Å; L40-L88 HydrophobicContact CD2-CG 3.86Å; C43-L88 HydrophobicContact CB-CD1 4.34Å; K44-L88 HydrophobicContact CB-CD1 4.44Å; M53-L88 PolarHBondContact O-N 3.13Å
89K86.9Confident74.9Confident113 Ų11367.6 Ų67.649%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-92.7-58.2177.1-76-174.9168.21680111.9E11 E13 V87E11-K89 HydrophobicContact CB-CB 4.18Å; E11-K89 HydrophobicContact CG-CB 4.2Å; E11-K89 HydrophobicContact CG-CD 4.17Å; E11-K89 PolarHBondContact O-N 3.45Å; E11-K89 WeakPolarHBondContact OE1-CD 3.45Å; E13-K89 HydrophobicContact CB-CD 4.49Å; E13-K89 WeakPolarHBondContact OE2-CE 3.36Å; E13-K89 IonicContact OE2-NZ 3.13Å; E13-K89 PolarHBondContact OE2-NZ 3.35Å; V87-K89 PolarHBondContact O-N 2.99Å
90S85.5Confident73.2Confident57 Ų5776.4 Ų76.440%0.39940%0.397SS..EExtended strand (participates in β ladder)trans-146.3144.618066.10000107.9C10 E11C10-S90 CarbonylContact C-O 3.58Å; C10-S90 VanDerWaalsContact CA-O 3.29Å; C10-S90 WeakPolarHBondContact CA-O 3.16Å; E11-S90 WeakPolarHBondContact CB-OG 3.37Å; E11-S90 PolarHBondContact N-O 2.84Å; E11-S90 PolarHBondContact OE2-OG 2.86Å
91C82.4Confident72.2Confident34 Ų3478.6 Ų78.623%0.2341%0.406CS..EExtended strand (participates in β ladder)trans-125.8129170.9-64.50000107L8 C10L8-C91 HydrophobicContact CB-CB 4.42Å; L8-C91 HydrophobicContact CD1-CB 4.23Å; L8-C91 HydrophobicContact CD2-CB 4.37Å; C10-C91 HydrophobicContact CB-CB 4.12Å; C10-C91 WeakPolarHBondContact CB-SG 3.09Å; C10-C91 WeakPolarHBondContact SG-CB 3.45Å; C10-C91 CovalentContact SG-SG 2.04Å; C10-C91 PolarHBondContact SG-SG 2.94Å
92V80.8Confident71.7Confident91 Ų9177.5 Ų77.555%0.55239%0.391SS*.EExtended strand (participates in β ladder)trans-108136.2170.8-68.10000107.6T9 R94T9-V92 PolarHBondContact N-O 3.4Å; T9-V92 WeakPolarHBondContact O-CG2 3.38Å; T9-V92 PolarHBondContact O-N 3.44Å; V92-R94 PolarHBondContact O-N 3.38Å
93E72.1Confident71Confident165 Ų16578.5 Ų78.577%0.77140%0.4SS*.EExtended strand (participates in β ladder)trans-56130.6163.8-69.5173.3-172.900107.4L8L8-E93 HydrophobicContact CD2-CB 4.41Å; L8-E93 HydrophobicContact CD2-CG 3.75Å
94R61.7Low70.2Confident86 Ų8679.3 Ų79.333%0.32541%0.405SS..  trans-55.4138168.6-79.3-172.6-90.4135.4-13.1106.5E7 T9 V92 T96E7-R94 WeakPolarHBondContact O-CB 3.36Å; E7-R94 WeakPolarHBondContact O-CG 3.32Å; E7-R94 PolarHBondContact O-N 3.4Å; T9-R94 VanDerWaalsContact OG1-CG 3.25Å; T9-R94 WeakPolarHBondContact OG1-CG 3.42Å; V92-R94 PolarHBondContact O-N 3.38Å; R94-T96 PolarHBondContact O-N 3.3Å
95P47.1Very low69.4Low125 Ų12584.9 Ų84.981%0.81243%0.434SS*.  trans-58.799.6164.924.1-28.6000105.6E97P95-E97 PolarHBondContact O-N 2.86Å; P95-E97 VanDerWaalsContact O-N 3.15Å
96T44.7Very low68.4Low80 Ų8085.8 Ų85.849%0.49144%0.438SS..  trans-56.3119.716430.40000103.7R94 E98R94-T96 PolarHBondContact O-N 3.3Å; T96-E98 PolarHBondContact O-N 2.82Å
97E42Very low67.5Low177 Ų17791.6 Ų91.683%0.82747%0.466SS*.  trans-48.6120.6158.1-71.2-159.2153.700104.4P95P95-E97 PolarHBondContact O-N 2.86Å; P95-E97 VanDerWaalsContact O-N 3.15Å
98E37.4Very low66.5Low174 Ų17490.1 Ų90.181%0.81346%0.456SS*.  trans-43.4119.9180-80.3-178.4157.800105.7T96 R100T96-E98 PolarHBondContact O-N 2.82Å; E98-R100 PolarHBondContact O-N 3.45Å
99P45.8Very low65.4Low50 Ų5093.1 Ų93.133%0.32548%0.478SS..  trans-54.6120.7-175.622.8-32000104.4N101 Q122P99-N101 PolarHBondContact O-N 2.86Å; P99-Q122 HydrophobicContact CB-CG 4.05Å
100R50.4Low64.2Low188 Ų18888.5 Ų88.571%0.70946%0.458SS*.  trans-73.360.8178.1-79.1-172.7-177.5-171.85107.6E98 H102 E121E98-R100 PolarHBondContact O-N 3.45Å; R100-H102 PolarHBondContact O-N 2.95Å; R100-H102 VanDerWaalsContact O-N 3.13Å; R100-E121 VanDerWaalsContact CB-OE2 3.23Å; R100-E121 WeakPolarHBondContact CB-OE2 3.27Å; R100-E121 VanDerWaalsContact O-CD 3.27Å; R100-E121 WeakPolarHBondContact O-CG 3.16Å
101N64Low63.5Low62 Ų6287 Ų8733%0.33245%0.446SS..  trans-65.8115.4170.6-68.1-13.8000105.2P99 V119 I120P99-N101 PolarHBondContact O-N 2.86Å; N101-V119 VanDerWaalsContact CA-O 3.23Å; N101-V119 WeakPolarHBondContact CA-O 3.24Å; N101-I120 WeakPolarHBondContact OD1-CD1 3.41Å
102H71.3Confident63Low77 Ų7787.4 Ų87.436%0.35645%0.448SS..EExtended strand (participates in β ladder)trans-114.7143.6173.964.7-90.3000108.1R100 I104 V119 E121R100-H102 PolarHBondContact O-N 2.95Å; R100-H102 VanDerWaalsContact O-N 3.13Å; H102-I104 VanDerWaalsContact CD2-CG2 3.42Å; H102-I104 WeakPolarHBondContact CD2-CG2 3.32Å; H102-V119 PolarHBondContact N-O 2.83Å; H102-V119 PolarHBondContact O-N 3.17Å; H102-E121 IonicContact CE1-OE1 3.71Å; H102-E121 PolarHBondContact CE1-OE1 3.13Å; H102-E121 IonicContact ND1-OE1 2.87Å; H102-E121 PolarHBondContact ND1-OE1 3.11Å
103T73Confident63Low76 Ų7684.5 Ų84.547%0.46643%0.429SS..EExtended strand (participates in β ladder)trans-89.7125.9175.8-52.90000108.6E116 L117T103-E116 HydrophobicContact CG2-CB 3.99Å; T103-E116 HydrophobicContact CG2-CG 4.4Å; T103-L117 CarbonylContact C-O 3.59Å; T103-L117 VanDerWaalsContact CA-O 3.23Å; T103-L117 WeakPolarHBondContact CA-O 3.1Å; T103-L117 WeakPolarHBondContact CG2-O 3.48Å
104I74.8Confident63.2Low50 Ų5077.4 Ų77.426%0.25640%0.398SS..EExtended strand (participates in β ladder)trans-108.4145169.263.9178.6000109.4H102 L117 V119 L140H102-I104 VanDerWaalsContact CD2-CG2 3.42Å; H102-I104 WeakPolarHBondContact CD2-CG2 3.32Å; I104-L117 HydrophobicContact CD1-CB 4.46Å; I104-L117 HydrophobicContact CD1-CD1 4.09Å; I104-L117 HydrophobicContact CG1-CB 3.81Å; I104-L117 HydrophobicContact CG1-CD1 4.16Å; I104-L117 HydrophobicContact CG1-CG 4.32Å; I104-L117 PolarHBondContact N-O 3.43Å; I104-L117 PolarHBondContact O-N 2.8Å; I104-V119 HydrophobicContact CD1-CG2 3.57Å; I104-V119 HydrophobicContact CG1-CG2 3.71Å; I104-V119 HydrophobicContact CG2-CG2 4.13Å; I104-L140 HydrophobicContact CD1-CD2 3.65Å
105L74.4Confident64Low117 Ų11773.3 Ų73.361%0.61338%0.382SS*.EExtended strand (participates in β ladder)trans-98.4125.3170.5-170.974000108C115 E116L105-C115 WeakPolarHBondContact CA-O 3.37Å; L105-E116 HydrophobicContact CD1-CG 3.79Å
106I70.9Confident65.7Low24 Ų2469.6 Ų69.612%0.12335%0.354CS..EExtended strand (participates in β ladder)trans-115.6131.9175.6-159.7157.3000109.8L108 S114 C115 L117 L140 S141 V144I106-L108 HydrophobicContact CG2-CD2 3.93Å; I106-S114 CarbonylContact O-C 3.48Å; I106-S114 WeakPolarHBondContact O-CA 3.42Å; I106-C115 HydrophobicContact CG2-CB 3.88Å; I106-C115 PolarHBondContact N-O 3.47Å; I106-C115 PolarHBondContact O-N 2.96Å; I106-L117 HydrophobicContact CB-CD1 4.29Å; I106-L117 HydrophobicContact CD1-CD1 4.45Å; I106-L117 HydrophobicContact CG2-CD1 3.84Å; I106-L117 HydrophobicContact CG2-CD2 4.36Å; I106-L117 HydrophobicContact CG2-CG 3.98Å; I106-L140 HydrophobicContact CD1-CB 3.86Å; I106-L140 HydrophobicContact CD1-CD2 3.98Å; I106-L140 HydrophobicContact CD1-CG 3.72Å; I106-S141 VanDerWaalsContact CD1-CA 3.43Å; I106-V144 HydrophobicContact CG2-CG1 4.44Å
107E73Confident67.5Low123 Ų12365.8 Ų65.858%0.57533%0.33SS*.EExtended strand (participates in β ladder)trans-83.1136.5168.7-65.5-177.8173.900108.1P109E107-P109 VanDerWaalsContact O-CD 3.28Å; E107-P109 WeakPolarHBondContact O-CD 3.46Å
108L71.6Confident69.5Low1 Ų159.5 Ų59.51%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-109.386.8172.3-54.6-172.6000107.2I106 I110 L111 S112 E113 C115 S141 V144 K148I106-L108 HydrophobicContact CG2-CD2 3.93Å; L108-I110 PolarHBondContact O-N 3.48Å; L108-I110 VanDerWaalsContact O-N 3.09Å; L108-L111 HydrophobicContact CB-CB 4.28Å; L108-L111 HydrophobicContact CD1-CD1 3.96Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-S112 PolarHBondContact O-N 3.33Å; L108-E113 PolarHBondContact N-O 2.76Å; L108-E113 PolarHBondContact O-N 3.25Å; L108-C115 WeakPolarHBondContact CD1-SG 3.44Å; L108-S141 WeakPolarHBondContact CD2-O 2.92Å; L108-V144 HydrophobicContact CD1-CG1 3.93Å; L108-V144 HydrophobicContact CD2-CB 3.97Å; L108-V144 HydrophobicContact CD2-CG1 3.88Å; L108-V144 HydrophobicContact CG-CG1 4.48Å; L108-K148 HydrophobicContact CD1-CG 4.34Å
109P63.5Low71.7Confident86 Ų8651.7 Ų51.756%0.55827%0.267SS*.THydrogen-bonded Turntrans-56.5-33.1-175.6-24.433.6000112.2E107 L111 S112E107-P109 VanDerWaalsContact O-CD 3.28Å; E107-P109 WeakPolarHBondContact O-CD 3.46Å; P109-L111 PolarHBondContact O-N 3.48Å; P109-S112 PolarHBondContact O-N 3.35Å
110I62.4Low73.4Confident15 Ų1550 Ų508%0.07726%0.255CS..THydrogen-bonded Turntrans-60.8-44.9179.9-65.6176.8000111.1L108 T145 N272 F275 F276L108-I110 PolarHBondContact O-N 3.48Å; L108-I110 VanDerWaalsContact O-N 3.09Å; I110-T145 HydrophobicContact CB-CG2 4.01Å; I110-T145 HydrophobicContact CD1-CG2 4Å; I110-T145 HydrophobicContact CG2-CG2 3.88Å; I110-N272 HydrophobicContact CG2-CB 4.5Å; I110-F275 HydrophobicContact CD1-CD1 4.12Å; I110-F275 HydrophobicContact CD1-CE1 4.08Å; I110-F276 HydrophobicContact CG2-CE1 3.64Å; I110-F276 HydrophobicContact CG2-CE2 4Å; I110-F276 HydrophobicContact CG2-CZ 3.11Å
111L69.2Low74.3Confident27 Ų2746.2 Ų46.214%0.14125%0.245CC..THydrogen-bonded Turntrans-94.8-5.2-177.3-58.8-179.4000113.3L108 P109 E113 T145 K148 L149L108-L111 HydrophobicContact CB-CB 4.28Å; L108-L111 HydrophobicContact CD1-CD1 3.96Å; L108-L111 PolarHBondContact O-N 2.93Å; P109-L111 PolarHBondContact O-N 3.48Å; L111-E113 HydrophobicContact CB-CB 4.18Å; L111-E113 HydrophobicContact CB-CG 3.98Å; L111-E113 PolarHBondContact O-N 3.19Å; L111-T145 HydrophobicContact CD1-CG2 4.41Å; L111-T145 HydrophobicContact CG-CG2 4.29Å; L111-K148 HydrophobicContact CD1-CB 3.77Å; L111-K148 HydrophobicContact CD1-CG 4.41Å; L111-L149 HydrophobicContact CD2-CD2 3.94Å; L111-L149 HydrophobicContact CD2-CG 4.48Å
112S73.8Confident74.5Confident41 Ų4146.4 Ų46.429%0.28724%0.244SC..THydrogen-bonded Turntrans48.837.3-165.2-74.80000112.4L108 P109 N198 N268L108-S112 PolarHBondContact O-N 3.33Å; P109-S112 PolarHBondContact O-N 3.35Å; S112-N198 VanDerWaalsContact O-CB 3.27Å; S112-N198 WeakPolarHBondContact O-CB 3.5Å; S112-N198 PolarHBondContact O-N 3.47Å; S112-N198 PolarHBondContact O-ND2 2.9Å; S112-N268 WeakPolarHBondContact CB-ND2 3.21Å; S112-N268 VanDerWaalsContact OG-CG 3.3Å; S112-N268 PolarHBondContact OG-ND2 2.71Å
113E79.7Confident74.4Confident30 Ų3047.6 Ų47.614%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-111.9154176.3-69.4-171.8172.800110.2L108 L111 K148 C195 R196 T197L108-E113 PolarHBondContact N-O 2.76Å; L108-E113 PolarHBondContact O-N 3.25Å; L111-E113 HydrophobicContact CB-CB 4.18Å; L111-E113 HydrophobicContact CB-CG 3.98Å; L111-E113 PolarHBondContact O-N 3.19Å; E113-K148 IonicContact OE1-NZ 2.85Å; E113-K148 PolarHBondContact OE1-NZ 3.33Å; E113-K148 WeakPolarHBondContact OE2-CE 3.38Å; E113-K148 IonicContact OE2-NZ 3.7Å; E113-K148 PolarHBondContact OE2-NZ 3.45Å; E113-C195 VanDerWaalsContact OE2-CB 3.29Å; E113-C195 WeakPolarHBondContact OE2-CB 3.41Å; E113-R196 CarbonylContact C-O 3.56Å; E113-R196 VanDerWaalsContact CA-O 3.28Å; E113-R196 WeakPolarHBondContact CA-O 3.27Å; E113-T197 HydrophobicContact CG-CG2 3.81Å
114S76Confident74.4Confident17 Ų1749.3 Ų49.312%0.11925%0.251CS..EExtended strand (participates in β ladder)trans-114.1124.8164.5-58.70000108.2I106 C195 R196 N198I106-S114 CarbonylContact O-C 3.48Å; I106-S114 WeakPolarHBondContact O-CA 3.42Å; S114-C195 WeakPolarHBondContact O-CA 3.42Å; S114-R196 PolarHBondContact N-O 2.7Å; S114-R196 PolarHBondContact O-N 2.87Å; S114-N198 PolarHBondContact OG-ND2 2.87Å; S114-N198 PolarHBondContact OG-OD1 2.62Å
115C78.2Confident74.5Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-112131.8-178.2-64.30000111.3L105 I106 L108 L117 V144 E194 C195L105-C115 WeakPolarHBondContact CA-O 3.37Å; I106-C115 HydrophobicContact CG2-CB 3.88Å; I106-C115 PolarHBondContact N-O 3.47Å; I106-C115 PolarHBondContact O-N 2.96Å; L108-C115 WeakPolarHBondContact CD1-SG 3.44Å; C115-L117 HydrophobicContact CB-CD2 4.32Å; C115-V144 HydrophobicContact CB-CG1 4.49Å; C115-E194 CarbonylContact C-O 3.45Å; C115-E194 VanDerWaalsContact CA-O 3.31Å; C115-E194 WeakPolarHBondContact CA-O 3.29Å; C115-C195 HydrophobicContact CB-CB 4.11Å; C115-C195 WeakPolarHBondContact CB-SG 3.22Å; C115-C195 WeakPolarHBondContact SG-CB 3.48Å; C115-C195 CovalentContact SG-SG 2.03Å; C115-C195 PolarHBondContact SG-SG 2.9Å
116E83.4Confident74.7Confident46 Ų4643.7 Ų43.722%0.21523%0.232CC..EExtended strand (participates in β ladder)trans-83.2122.7165.6-68.6-173.4-171.900108.9T103 L105 K193 E194T103-E116 HydrophobicContact CG2-CB 3.99Å; T103-E116 HydrophobicContact CG2-CG 4.4Å; L105-E116 HydrophobicContact CD1-CG 3.79Å; E116-K193 HydrophobicContact CB-CB 4.32Å; E116-K193 HydrophobicContact CB-CD 4.41Å; E116-K193 WeakPolarHBondContact O-CB 3.33Å; E116-K193 PolarHBondContact O-N 2.99Å; E116-K193 IonicContact OE2-NZ 2.89Å; E116-K193 PolarHBondContact OE2-NZ 3.23Å; E116-E194 HydrophobicContact CB-CG 4.13Å; E116-E194 HydrophobicContact CG-CG 4.23Å; E116-E194 PolarHBondContact N-O 3.05Å
117L82.9Confident75.1Confident0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-110.1133.7175.5-50.3179.7000109.5T103 I104 I106 C115 L140 V144 A190 F191 I192T103-L117 CarbonylContact C-O 3.59Å; T103-L117 VanDerWaalsContact CA-O 3.23Å; T103-L117 WeakPolarHBondContact CA-O 3.1Å; T103-L117 WeakPolarHBondContact CG2-O 3.48Å; I104-L117 HydrophobicContact CD1-CB 4.46Å; I104-L117 HydrophobicContact CD1-CD1 4.09Å; I104-L117 HydrophobicContact CG1-CB 3.81Å; I104-L117 HydrophobicContact CG1-CD1 4.16Å; I104-L117 HydrophobicContact CG1-CG 4.32Å; I104-L117 PolarHBondContact N-O 3.43Å; I104-L117 PolarHBondContact O-N 2.8Å; I106-L117 HydrophobicContact CB-CD1 4.29Å; I106-L117 HydrophobicContact CD1-CD1 4.45Å; I106-L117 HydrophobicContact CG2-CD1 3.84Å; I106-L117 HydrophobicContact CG2-CD2 4.36Å; I106-L117 HydrophobicContact CG2-CG 3.98Å; C115-L117 HydrophobicContact CB-CD2 4.32Å; L117-L140 HydrophobicContact CD1-CD2 3.92Å; L117-L140 HydrophobicContact CD1-CG 4.19Å; L117-V144 HydrophobicContact CD1-CG2 3.72Å; L117-V144 HydrophobicContact CD2-CG1 4.15Å; L117-V144 HydrophobicContact CD2-CG2 4Å; L117-A190 HydrophobicContact CB-CB 4.08Å; L117-A190 HydrophobicContact CD1-CB 4.46Å; L117-F191 CarbonylContact C-O 3.52Å; L117-F191 WeakPolarHBondContact CA-O 3.36Å; L117-I192 HydrophobicContact CD2-CB 4.28Å; L117-I192 HydrophobicContact CD2-CG1 3.8Å; L117-I192 HydrophobicContact CD2-CG2 4.46Å
118N84.6Confident75.7Confident45 Ų4537.9 Ų37.924%0.24121%0.209CC..EExtended strand (participates in β ladder)trans-92.5101169.3-170.440.2000108.8A190 F191N118-A190 VanDerWaalsContact O-CA 3.29Å; N118-A190 WeakPolarHBondContact O-CA 3.36Å; N118-F191 PolarHBondContact N-O 2.97Å; N118-F191 PolarHBondContact O-N 2.9Å
119V83.6Confident76.3Confident11 Ų1142.4 Ų42.47%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-76.7132.1179.1-177.30000108.6N101 H102 I104 I188 F189 A190N101-V119 VanDerWaalsContact CA-O 3.23Å; N101-V119 WeakPolarHBondContact CA-O 3.24Å; H102-V119 PolarHBondContact N-O 2.83Å; H102-V119 PolarHBondContact O-N 3.17Å; I104-V119 HydrophobicContact CD1-CG2 3.57Å; I104-V119 HydrophobicContact CG1-CG2 3.71Å; I104-V119 HydrophobicContact CG2-CG2 4.13Å; V119-I188 HydrophobicContact CG1-CG2 4.25Å; V119-F189 WeakPolarHBondContact CA-O 3.07Å; V119-A190 HydrophobicContact CG2-CB 4.13Å
120I81.6Confident77.3Confident15 Ų1540.9 Ų40.98%0.07722%0.221CC..  trans-102.5111-179.8-51.9-57.7000108.4N101 Q122 V125 F189 F191N101-I120 WeakPolarHBondContact OD1-CD1 3.41Å; I120-Q122 HydrophobicContact CG2-CB 3.89Å; I120-Q122 HydrophobicContact CG2-CG 3.88Å; I120-Q122 PolarHBondContact O-N 3.3Å; I120-V125 HydrophobicContact CB-CG2 4.44Å; I120-V125 HydrophobicContact CG2-CG2 3.96Å; I120-F189 HydrophobicContact CB-CD1 4.16Å; I120-F189 HydrophobicContact CG1-CD1 4.01Å; I120-F189 PolarHBondContact N-O 3.22Å; I120-F191 HydrophobicContact CD1-CD2 4.06Å; I120-F191 HydrophobicContact CD1-CE2 4.28Å; I120-F191 HydrophobicContact CG1-CD2 3.93Å; I120-F191 HydrophobicContact CG1-CE2 3.98Å
121E69.3Low78.4Confident107 Ų10743 Ų4350%0.524%0.235SC..  trans-88.260.5173.7-66.9-175.3-176.100109.8R100 H102R100-E121 VanDerWaalsContact CB-OE2 3.23Å; R100-E121 WeakPolarHBondContact CB-OE2 3.27Å; R100-E121 VanDerWaalsContact O-CD 3.27Å; R100-E121 WeakPolarHBondContact O-CG 3.16Å; H102-E121 IonicContact CE1-OE1 3.71Å; H102-E121 PolarHBondContact CE1-OE1 3.13Å; H102-E121 IonicContact ND1-OE1 2.87Å; H102-E121 PolarHBondContact ND1-OE1 3.11Å
122Q68.3Low79Confident66 Ų6643.2 Ų43.231%0.30824%0.239SC..  trans-130.9144.7173-60.9-175.7-55.200108.5P99 I120 R124P99-Q122 HydrophobicContact CB-CG 4.05Å; I120-Q122 HydrophobicContact CG2-CB 3.89Å; I120-Q122 HydrophobicContact CG2-CG 3.88Å; I120-Q122 PolarHBondContact O-N 3.3Å; Q122-R124 PolarHBondContact O-N 3.06Å
123D69Low79.6Confident102 Ų10245.8 Ų45.855%0.54525%0.249SC..SBendtrans-71.5-12.2174.764.1-26.7000112.4V183D123-V183 PolarHBondContact O-N 2.77Å
124R71.4Confident79.5Confident113 Ų11347 Ų4743%0.42625%0.254SS..EExtended strand (participates in β ladder)trans-145.3129.1-174.6-68.1-177.7-176.5168.93.7111.6Q122 Y180 Y181Q122-R124 PolarHBondContact O-N 3.06Å; R124-Y180 HydrophobicContact CB-CD1 4.1Å; R124-Y180 HydrophobicContact CB-CG 4.32Å; R124-Y181 WeakPolarHBondContact CA-O 3.43Å
125V77.7Confident79.8Confident9 Ų953.3 Ų53.36%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-121.5121.3177.7-173.80000110.2I120 V128 Y181 V183 F189 F191I120-V125 HydrophobicContact CB-CG2 4.44Å; I120-V125 HydrophobicContact CG2-CG2 3.96Å; V125-V128 HydrophobicContact CB-CG2 4.18Å; V125-V128 HydrophobicContact CG1-CG1 4.3Å; V125-V128 HydrophobicContact CG1-CG2 3.92Å; V125-Y181 PolarHBondContact N-O 2.84Å; V125-Y181 WeakPolarHBondContact O-CB 3.16Å; V125-Y181 PolarHBondContact O-N 2.8Å; V125-V183 HydrophobicContact CG2-CG2 4.05Å; V125-F189 HydrophobicContact CB-CE1 4.11Å; V125-F189 HydrophobicContact CB-CE2 4.39Å; V125-F189 HydrophobicContact CB-CZ 4.02Å; V125-F189 HydrophobicContact CG1-CD1 4.42Å; V125-F189 HydrophobicContact CG1-CE1 3.72Å; V125-F189 HydrophobicContact CG1-CZ 3.84Å; V125-F189 HydrophobicContact CG2-CD1 3.81Å; V125-F189 HydrophobicContact CG2-CD2 4.31Å; V125-F189 HydrophobicContact CG2-CE1 3.91Å; V125-F189 HydrophobicContact CG2-CE2 4.38Å; V125-F189 HydrophobicContact CG2-CG 4.02Å; V125-F189 HydrophobicContact CG2-CZ 4.17Å; V125-F191 HydrophobicContact CG1-CE2 4.26Å; V125-F191 HydrophobicContact CG1-CZ 4.1Å
126G78.1Confident79.4Confident39 Ų3955.1 Ų55.140%0.40230%0.3SS..EExtended strand (participates in β ladder)trans-87.4156.9178.800000113.9
127G79.7Confident78.8Confident16 Ų1653.6 Ų53.617%0.16529%0.294CS..SBendtrans71.628.6171.200000114.8E173G127-E173 PolarHBondContact O-N 3.07Å
128V86Confident78Confident9 Ų955 Ų556%0.05530%0.301CS..EExtended strand (participates in β ladder)trans-137.2152.1-178-65.60000111.2V125 I170 A171 Y181 F189 F191V125-V128 HydrophobicContact CB-CG2 4.18Å; V125-V128 HydrophobicContact CG1-CG1 4.3Å; V125-V128 HydrophobicContact CG1-CG2 3.92Å; V128-I170 HydrophobicContact CB-CG2 3.65Å; V128-I170 HydrophobicContact CG1-CG2 3.99Å; V128-I170 HydrophobicContact CG2-CG2 4.31Å; V128-A171 CarbonylContact C-O 3.51Å; V128-A171 VanDerWaalsContact CA-O 3.22Å; V128-A171 WeakPolarHBondContact CA-O 2.86Å; V128-A171 WeakPolarHBondContact CB-O 3.35Å; V128-Y181 HydrophobicContact CG2-CG 4.19Å; V128-F189 HydrophobicContact CB-CZ 4.49Å; V128-F189 HydrophobicContact CG1-CZ 4.42Å; V128-F189 HydrophobicContact CG2-CE2 4.45Å; V128-F189 HydrophobicContact CG2-CZ 3.96Å; V128-F191 HydrophobicContact CG1-CE1 3.72Å; V128-F191 HydrophobicContact CG1-CZ 3.6Å
129E83.4Confident77.7Confident96 Ų9654.7 Ų54.745%0.44930%0.302SS..EExtended strand (participates in β ladder)trans-134.5153.5176.564.2179.5174.500111.6I170 A171E129-I170 WeakPolarHBondContact O-CA 3.43Å; E129-A171 HydrophobicContact CG-CB 4.04Å; E129-A171 PolarHBondContact N-O 2.81Å; E129-A171 PolarHBondContact O-N 3Å
130S85.3Confident77.5Confident54 Ų5455 Ų5538%0.37830%0.303SS..EExtended strand (participates in β ladder)trans-79.7126.6172.1-176.70000110.1N168S130-N168 PolarHBondContact OG-OD1 3.16Å
131V85.1Confident77.4Confident61 Ų6155.8 Ų55.837%0.3731%0.31SS..EExtended strand (participates in β ladder)trans-91.5-41.4178.2-1750000111L150 L169 A171V131-L150 HydrophobicContact CG1-CD2 3.94Å; V131-L169 PolarHBondContact N-O 2.94Å; V131-A171 HydrophobicContact CG2-CB 3.24Å
132S83.1Confident77.8Confident31 Ų3151.7 Ų51.722%0.21729%0.294CS..EExtended strand (participates in β ladder)trans-159148.8-177.850.10000111.1N168 L169S132-N168 CarbonylContact O-C 3.59Å; S132-N168 WeakPolarHBondContact O-CA 3.49Å; S132-L169 PolarHBondContact O-N 3.43Å; S132-L169 WeakPolarHBondContact OG-CB 3.4Å; S132-L169 VanDerWaalsContact OG-CD1 3.28Å; S132-L169 WeakPolarHBondContact OG-CD1 3.07Å; S132-L169 WeakPolarHBondContact OG-CG 3.28Å
133L85.4Confident78.6Confident95 Ų9548.5 Ų48.550%0.49728%0.279SS..EExtended strand (participates in β ladder)trans-114.6127.4179.3179.684.3000108I166 N168L133-I166 HydrophobicContact CD1-CG2 3.32Å; L133-I166 HydrophobicContact CG-CG2 4.32Å; L133-N168 VanDerWaalsContact CD1-CG 3.45Å; L133-N168 WeakPolarHBondContact CD1-ND2 3.39Å; L133-N168 WeakPolarHBondContact CD1-OD1 3.08Å
134H77.7Confident79.4Confident54 Ų5443.7 Ų43.725%0.2525%0.253CS..EExtended strand (participates in β ladder)trans-121.7126175.7-65.9-95.3000109.3V137 L146 I166 C167H134-V137 HydrophobicContact CB-CG2 3.74Å; H134-L146 HydrophobicContact CB-CD1 3.97Å; H134-I166 WeakPolarHBondContact O-CA 3.28Å; H134-C167 HydrophobicContact CB-CB 4.26Å; H134-C167 PolarHBondContact N-O 2.77Å; H134-C167 PolarHBondContact O-N 2.87Å
135E81.8Confident79.9Confident151 Ų15138.3 Ų38.371%0.70623%0.233SC*.SBendtrans-96.5155.5174.4-61.2-179.8177.300110.4E165 I166E135-E165 CarbonylContact C-O 3.58Å; E135-I166 HydrophobicContact CG-CG1 4.44Å
136G70.5Confident80.3Confident37 Ų3738.3 Ų38.338%0.38123%0.233SC..SBendtrans74.821.9179.800000114.4E138 E165G136-E138 PolarHBondContact O-N 3.43Å; G136-E165 PolarHBondContact N-O 3.36Å
137V71.3Confident80.7Confident14 Ų1436.7 Ų36.79%0.08522%0.215CC..  trans-85.3110.2177-177.20000109.7H134 S139 A142 C143 L146 Y160 E165 C167H134-V137 HydrophobicContact CB-CG2 3.74Å; V137-S139 PolarHBondContact O-N 2.83Å; V137-A142 HydrophobicContact CG1-CB 3.81Å; V137-C143 HydrophobicContact CG1-CB 3.84Å; V137-L146 HydrophobicContact CG1-CD1 4.4Å; V137-L146 HydrophobicContact CG2-CD1 3.7Å; V137-Y160 HydrophobicContact CB-CE2 4.3Å; V137-Y160 HydrophobicContact CG1-CE2 4.11Å; V137-Y160 WeakPolarHBondContact O-CE2 3.28Å; V137-Y160 PolarHBondContact O-OH 3.13Å; V137-E165 PolarHBondContact N-O 3.15Å; V137-E165 WeakPolarHBondContact O-CA 3.35Å; V137-C167 HydrophobicContact CB-CB 3.67Å; V137-C167 HydrophobicContact CG1-CB 3.82Å; V137-C167 HydrophobicContact CG2-CB 3.58Å
138E65.8Low81Confident31 Ų3139.8 Ų39.815%0.14522%0.224CC..  trans-81.5-11.5-168.2-54.2-171.6128.100115.2G136 Y160 F238 R241G136-E138 PolarHBondContact O-N 3.43Å; E138-Y160 PolarHBondContact O-OH 2.54Å; E138-F238 WeakPolarHBondContact OE2-CE1 3.34Å; E138-R241 WeakPolarHBondContact OE1-CG 3.47Å; E138-R241 IonicContact OE1-CZ 2.81Å; E138-R241 IonicContact OE1-NE 3.87Å; E138-R241 PolarHBondContact OE1-NE 2.95Å; E138-R241 IonicContact OE1-NH2 3.48Å; E138-R241 PolarHBondContact OE1-NH2 3.4Å
139S76.9Confident80.8Confident37 Ų3740.7 Ų40.726%0.25923%0.228SC..  trans-151.4152.8-177.763.50000112.7V137 S141 A142 C143 Y160V137-S139 PolarHBondContact O-N 2.83Å; S139-S141 WeakPolarHBondContact CB-OG 3.4Å; S139-S141 PolarHBondContact O-N 3.47Å; S139-S141 PolarHBondContact OG-OG 3.15Å; S139-A142 PolarHBondContact O-N 3.35Å; S139-A142 VanDerWaalsContact O-N 3.11Å; S139-A142 WeakPolarHBondContact OG-CB 3.35Å; S139-A142 PolarHBondContact OG-N 2.93Å; S139-C143 PolarHBondContact O-N 3.45Å; S139-Y160 WeakPolarHBondContact CA-OH 3.28Å; S139-Y160 PolarHBondContact N-OH 2.89Å; S139-Y160 VanDerWaalsContact N-OH 3.15Å
140L80Confident80.6Confident19 Ų1938.1 Ų38.110%0.09922%0.218CC..Hα-helixtrans-55.9-36.2168.9-176.763000111.3I104 I106 L117 C143 V144 V158 Y160 I188I104-L140 HydrophobicContact CD1-CD2 3.65Å; I106-L140 HydrophobicContact CD1-CB 3.86Å; I106-L140 HydrophobicContact CD1-CD2 3.98Å; I106-L140 HydrophobicContact CD1-CG 3.72Å; L117-L140 HydrophobicContact CD1-CD2 3.92Å; L117-L140 HydrophobicContact CD1-CG 4.19Å; L140-C143 WeakPolarHBondContact O-CB 3.4Å; L140-C143 PolarHBondContact O-N 2.74Å; L140-V144 HydrophobicContact CD1-CG2 4.28Å; L140-V144 HydrophobicContact CG-CG2 4.33Å; L140-V144 WeakPolarHBondContact O-CB 3.27Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.43Å; L140-V144 PolarHBondContact O-N 3.3Å; L140-V158 HydrophobicContact CD1-CG2 3.73Å; L140-Y160 HydrophobicContact CB-CD1 3.91Å; L140-Y160 HydrophobicContact CB-CE1 4.34Å; L140-Y160 HydrophobicContact CB-CG 4.44Å; L140-Y160 HydrophobicContact CD1-CD1 4.22Å; L140-Y160 HydrophobicContact CD1-CG 4.14Å; L140-I188 HydrophobicContact CD1-CG2 4.12Å; L140-I188 HydrophobicContact CD2-CD1 4.11Å; L140-I188 HydrophobicContact CD2-CG2 4.05Å
141S78.7Confident79.2Confident31 Ų3142.4 Ų42.422%0.21723%0.232CC..Hα-helixtrans-64.4-40.8177.241.50000112.2I106 L108 S139 T145I106-S141 VanDerWaalsContact CD1-CA 3.43Å; L108-S141 WeakPolarHBondContact CD2-O 2.92Å; S139-S141 WeakPolarHBondContact CB-OG 3.4Å; S139-S141 PolarHBondContact O-N 3.47Å; S139-S141 PolarHBondContact OG-OG 3.15Å; S141-T145 VanDerWaalsContact O-CB 3.28Å; S141-T145 WeakPolarHBondContact O-CB 3.35Å; S141-T145 PolarHBondContact O-N 3.04Å; S141-T145 PolarHBondContact O-OG1 3.49Å
142A79.3Confident77.9Confident20 Ų2046.8 Ų46.817%0.16525%0.253CS..Hα-helixtrans-65.4-42.917400000110.3V137 S139 V144 T145 L146V137-A142 HydrophobicContact CG1-CB 3.81Å; S139-A142 PolarHBondContact O-N 3.35Å; S139-A142 VanDerWaalsContact O-N 3.11Å; S139-A142 WeakPolarHBondContact OG-CB 3.35Å; S139-A142 PolarHBondContact OG-N 2.93Å; A142-V144 PolarHBondContact O-N 2.96Å; A142-T145 WeakPolarHBondContact O-CB 3.22Å; A142-T145 PolarHBondContact O-N 2.71Å; A142-L146 WeakPolarHBondContact O-CG 3.35Å; A142-L146 PolarHBondContact O-N 2.96Å
143C84.2Confident76.8Confident0 Ų054.2 Ų54.20%028%0.284CS..Hα-helixtrans-60.8-45.7177.6-170.90000112.8V137 S139 L140 T145 L146 C147 Y160 C167V137-C143 HydrophobicContact CG1-CB 3.84Å; S139-C143 PolarHBondContact O-N 3.45Å; L140-C143 WeakPolarHBondContact O-CB 3.4Å; L140-C143 PolarHBondContact O-N 2.74Å; C143-T145 VanDerWaalsContact C-N 3.32Å; C143-T145 PolarHBondContact O-N 2.59Å; C143-L146 WeakPolarHBondContact O-CB 3.45Å; C143-L146 PolarHBondContact O-N 2.91Å; C143-C147 PolarHBondContact O-N 2.84Å; C143-Y160 HydrophobicContact CB-CD2 3.9Å; C143-Y160 HydrophobicContact CB-CG 4.37Å; C143-C167 WeakPolarHBondContact CA-SG 3.48Å; C143-C167 HydrophobicContact CB-CB 3.74Å; C143-C167 WeakPolarHBondContact CB-SG 3.28Å; C143-C167 WeakPolarHBondContact SG-CB 3.23Å; C143-C167 CovalentContact SG-SG 2.02Å; C143-C167 PolarHBondContact SG-SG 3.03Å
144V86.5Confident76.5Confident0 Ų051.7 Ų51.70%028%0.277CS..Hα-helixtrans-66-36.9175.2175.70000111.3I106 L108 C115 L117 L140 A142 L146 C147 K148 V158 I192I106-V144 HydrophobicContact CG2-CG1 4.44Å; L108-V144 HydrophobicContact CD1-CG1 3.93Å; L108-V144 HydrophobicContact CD2-CB 3.97Å; L108-V144 HydrophobicContact CD2-CG1 3.88Å; L108-V144 HydrophobicContact CG-CG1 4.48Å; C115-V144 HydrophobicContact CB-CG1 4.49Å; L117-V144 HydrophobicContact CD1-CG2 3.72Å; L117-V144 HydrophobicContact CD2-CG1 4.15Å; L117-V144 HydrophobicContact CD2-CG2 4Å; L140-V144 HydrophobicContact CD1-CG2 4.28Å; L140-V144 HydrophobicContact CG-CG2 4.33Å; L140-V144 WeakPolarHBondContact O-CB 3.27Å; L140-V144 VanDerWaalsContact O-CG2 3.24Å; L140-V144 WeakPolarHBondContact O-CG2 3.43Å; L140-V144 PolarHBondContact O-N 3.3Å; A142-V144 PolarHBondContact O-N 2.96Å; V144-L146 VanDerWaalsContact C-N 3.32Å; V144-L146 PolarHBondContact O-N 2.78Å; V144-C147 WeakPolarHBondContact O-CB 3.25Å; V144-C147 PolarHBondContact O-N 2.81Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 WeakPolarHBondContact O-CG 3.13Å; V144-K148 PolarHBondContact O-N 3.09Å; V144-V158 HydrophobicContact CG2-CG1 4.31Å; V144-V158 HydrophobicContact CG2-CG2 3.82Å; V144-I192 HydrophobicContact CG1-CD1 3.86Å; V144-I192 HydrophobicContact CG1-CG1 4.24Å
145T82.1Confident77Confident1 Ų150 Ų501%0.00627%0.271CS..Hα-helixtrans-60.5-43.5173.6-61.70000110.6I110 L111 S141 A142 C143 C147 K148 L149I110-T145 HydrophobicContact CB-CG2 4.01Å; I110-T145 HydrophobicContact CD1-CG2 4Å; I110-T145 HydrophobicContact CG2-CG2 3.88Å; L111-T145 HydrophobicContact CD1-CG2 4.41Å; L111-T145 HydrophobicContact CG-CG2 4.29Å; S141-T145 VanDerWaalsContact O-CB 3.28Å; S141-T145 WeakPolarHBondContact O-CB 3.35Å; S141-T145 PolarHBondContact O-N 3.04Å; S141-T145 PolarHBondContact O-OG1 3.49Å; A142-T145 WeakPolarHBondContact O-CB 3.22Å; A142-T145 PolarHBondContact O-N 2.71Å; C143-T145 VanDerWaalsContact C-N 3.32Å; C143-T145 PolarHBondContact O-N 2.59Å; T145-C147 PolarHBondContact O-N 3.35Å; T145-K148 PolarHBondContact O-N 2.94Å; T145-L149 HydrophobicContact CG2-CD1 3.58Å; T145-L149 HydrophobicContact CG2-CG 4.33Å; T145-L149 WeakPolarHBondContact O-CB 3.26Å; T145-L149 VanDerWaalsContact O-CD1 3.29Å; T145-L149 WeakPolarHBondContact O-CD1 3.17Å; T145-L149 WeakPolarHBondContact O-CG 3.48Å; T145-L149 PolarHBondContact O-N 3.03Å
146L85.6Confident77.4Confident8 Ų844.5 Ų44.54%0.04225%0.248CC..Hα-helixtrans-59-46.9174.6-67.3172.6000111.4H134 V137 A142 C143 V144 K148 L149 L150 L169 F275 W281H134-L146 HydrophobicContact CB-CD1 3.97Å; V137-L146 HydrophobicContact CG1-CD1 4.4Å; V137-L146 HydrophobicContact CG2-CD1 3.7Å; A142-L146 WeakPolarHBondContact O-CG 3.35Å; A142-L146 PolarHBondContact O-N 2.96Å; C143-L146 WeakPolarHBondContact O-CB 3.45Å; C143-L146 PolarHBondContact O-N 2.91Å; V144-L146 VanDerWaalsContact C-N 3.32Å; V144-L146 PolarHBondContact O-N 2.78Å; L146-K148 VanDerWaalsContact C-N 3.3Å; L146-K148 PolarHBondContact O-N 3.31Å; L146-L149 PolarHBondContact O-N 3.48Å; L146-L150 PolarHBondContact O-N 3.42Å; L146-L169 HydrophobicContact CB-CD1 4.34Å; L146-L169 HydrophobicContact CB-CD2 4.2Å; L146-F275 HydrophobicContact CD2-CZ 4.4Å; L146-W281 HydrophobicContact CB-CH2 4.45Å; L146-W281 HydrophobicContact CD2-CH2 3.85Å; L146-W281 HydrophobicContact CD2-CZ2 3.69Å; L146-W281 WeakPolarHBondContact O-CH2 3.34Å
147C87.4Confident78.3Confident5 Ų542.7 Ų42.73%0.03423%0.23CC..Hα-helixtrans-55.9-44176.3-172.80000112.8C143 V144 T145 L150 C155 V158 L169 I192C143-C147 PolarHBondContact O-N 2.84Å; V144-C147 WeakPolarHBondContact O-CB 3.25Å; V144-C147 PolarHBondContact O-N 2.81Å; T145-C147 PolarHBondContact O-N 3.35Å; C147-L150 WeakPolarHBondContact O-CB 3.34Å; C147-L150 PolarHBondContact O-N 3.5Å; C147-C155 WeakPolarHBondContact CA-SG 3.21Å; C147-C155 HydrophobicContact CB-CB 4.08Å; C147-C155 WeakPolarHBondContact CB-SG 3.35Å; C147-C155 WeakPolarHBondContact SG-CB 3.42Å; C147-C155 CovalentContact SG-SG 2.01Å; C147-C155 PolarHBondContact SG-SG 3.34Å; C147-V158 HydrophobicContact CB-CG1 3.7Å; C147-L169 HydrophobicContact CB-CD2 3.89Å; C147-I192 HydrophobicContact CB-CD1 3.88Å; C147-I192 WeakPolarHBondContact SG-CD1 2.92Å
148K85.2Confident79.3Confident81 Ų8142 Ų4235%0.35223%0.226SC..Hα-helixtrans-70.1-31-178.4-84.4-79.8-66.6-169.80114.2L108 L111 E113 V144 T145 L146 I192L108-K148 HydrophobicContact CD1-CG 4.34Å; L111-K148 HydrophobicContact CD1-CB 3.77Å; L111-K148 HydrophobicContact CD1-CG 4.41Å; E113-K148 IonicContact OE1-NZ 2.85Å; E113-K148 PolarHBondContact OE1-NZ 3.33Å; E113-K148 WeakPolarHBondContact OE2-CE 3.38Å; E113-K148 IonicContact OE2-NZ 3.7Å; E113-K148 PolarHBondContact OE2-NZ 3.45Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 WeakPolarHBondContact O-CG 3.13Å; V144-K148 PolarHBondContact O-N 3.09Å; T145-K148 PolarHBondContact O-N 2.94Å; L146-K148 VanDerWaalsContact C-N 3.3Å; L146-K148 PolarHBondContact O-N 3.31Å; K148-I192 HydrophobicContact CG-CD1 4.29Å
149L80.8Confident80.4Confident28 Ų2841 Ų4115%0.14722%0.221CC..Hα-helixtrans-84.7-15.6-179.6-70.4163.9000113.1L111 T145 L146 E151 M264 F276 W281L111-L149 HydrophobicContact CD2-CD2 3.94Å; L111-L149 HydrophobicContact CD2-CG 4.48Å; T145-L149 HydrophobicContact CG2-CD1 3.58Å; T145-L149 HydrophobicContact CG2-CG 4.33Å; T145-L149 WeakPolarHBondContact O-CB 3.26Å; T145-L149 VanDerWaalsContact O-CD1 3.29Å; T145-L149 WeakPolarHBondContact O-CD1 3.17Å; T145-L149 WeakPolarHBondContact O-CG 3.48Å; T145-L149 PolarHBondContact O-N 3.03Å; L146-L149 PolarHBondContact O-N 3.48Å; L149-E151 PolarHBondContact O-N 2.84Å; L149-M264 HydrophobicContact CD2-CE 3.66Å; L149-M264 HydrophobicContact CD2-SD 3.83Å; L149-F276 HydrophobicContact CD1-CD1 4.01Å; L149-F276 HydrophobicContact CD1-CE1 3.45Å; L149-F276 VanDerWaalsContact CD1-CE1 3.45Å; L149-F276 HydrophobicContact CD2-CE1 3.95Å; L149-F276 HydrophobicContact CG-CE1 4.33Å; L149-W281 VanDerWaalsContact C-CZ3 3.5Å; L149-W281 HydrophobicContact CB-CE3 4.2Å; L149-W281 HydrophobicContact CB-CH2 3.27Å; L149-W281 HydrophobicContact CB-CZ2 3.65Å; L149-W281 HydrophobicContact CB-CZ3 3.55Å; L149-W281 HydrophobicContact CD1-CH2 3.97Å; L149-W281 HydrophobicContact CD1-CZ2 3.58Å; L149-W281 HydrophobicContact CG-CH2 4.3Å; L149-W281 HydrophobicContact CG-CZ2 4.29Å
150L79.4Confident80.8Confident43 Ų4339.4 Ų39.423%0.22521%0.209CC..SBendtrans-61.7107.2178.6-163.973.3000109.9V131 L146 C147 N152 C155 L169 W281V131-L150 HydrophobicContact CG1-CD2 3.94Å; L146-L150 PolarHBondContact O-N 3.42Å; C147-L150 WeakPolarHBondContact O-CB 3.34Å; C147-L150 PolarHBondContact O-N 3.5Å; L150-N152 PolarHBondContact O-N 3Å; L150-C155 HydrophobicContact CD2-CB 4.01Å; L150-L169 HydrophobicContact CB-CD1 4.48Å; L150-L169 HydrophobicContact CD1-CD1 4.4Å; L150-L169 HydrophobicContact CD2-CD1 4.13Å; L150-W281 HydrophobicContact CD1-CZ3 4.4Å
151E56.1Low80.9Confident143 Ų14338.7 Ų38.767%0.66821%0.206SC*.THydrogen-bonded Turntrans-58.4131.1174.7-66.3-175.3167.200109.2L149L149-E151 PolarHBondContact O-N 2.84Å
152N58.4Low80.6Confident154 Ų15441.9 Ų41.982%0.82422%0.217SC*.THydrogen-bonded Turntrans103.211-178.8-57.9-29.8000119.1L150 A154L150-N152 PolarHBondContact O-N 3Å; N152-A154 PolarHBondContact O-N 2.85Å
153Q60Low79.9Confident186 Ų18651.1 Ų51.187%0.86925%0.248SC*.SBendtrans53.213.9172.5-63.6-166.5-9.300115.8C155Q153-C155 PolarHBondContact O-N 3.5Å
154A78.4Confident79.3Confident42 Ų4254 Ų5435%0.34727%0.268SS..  trans-67.6-32179.900000110.7N152 V156 A171N152-A154 PolarHBondContact O-N 2.85Å; A154-V156 PolarHBondContact O-N 3.14Å; A154-A171 VanDerWaalsContact O-CA 3.25Å; A154-A171 WeakPolarHBondContact O-CA 3.45Å; A154-A171 WeakPolarHBondContact O-CB 3.17Å
155C88Confident78.7Confident18 Ų1856.4 Ų56.412%0.12228%0.279CS..  trans-77.7113.7-177.4-164.40000111.7C147 L150 Q153 G157 I170C147-C155 WeakPolarHBondContact CA-SG 3.21Å; C147-C155 HydrophobicContact CB-CB 4.08Å; C147-C155 WeakPolarHBondContact CB-SG 3.35Å; C147-C155 WeakPolarHBondContact SG-CB 3.42Å; C147-C155 CovalentContact SG-SG 2.01Å; C147-C155 PolarHBondContact SG-SG 3.34Å; L150-C155 HydrophobicContact CD2-CB 4.01Å; Q153-C155 PolarHBondContact O-N 3.5Å; C155-G157 PolarHBondContact SG-O 2.87Å; C155-I170 CarbonylContact C-O 3.4Å; C155-I170 WeakPolarHBondContact CA-O 3.45Å
156V90.2Very high78.7Confident36 Ų3658.4 Ų58.422%0.21829%0.29CS..  trans-105.5-11.5177-59.80000112.8A154 I170 R172 F191 I192A154-V156 PolarHBondContact O-N 3.14Å; V156-I170 WeakPolarHBondContact CG2-O 3.47Å; V156-I170 PolarHBondContact N-O 3.5Å; V156-R172 HydrophobicContact CB-CG 4.48Å; V156-R172 HydrophobicContact CG1-CG 4.07Å; V156-R172 HydrophobicContact CG2-CG 3.91Å; V156-F191 HydrophobicContact CG2-CD1 3.97Å; V156-F191 HydrophobicContact CG2-CE1 3.98Å; V156-I192 PolarHBondContact O-N 2.87Å
157G90.9Very high78.7Confident0 Ų058 Ų580%029%0.288CS..EExtended strand (participates in β ladder)trans-169.8178.7-174.100000112.6C155 I170 A190C155-G157 PolarHBondContact SG-O 2.87Å; G157-I170 PolarHBondContact N-O 3.25Å; G157-I170 WeakPolarHBondContact O-CB 3.08Å; G157-I170 PolarHBondContact O-N 2.84Å; G157-A190 CarbonylContact C-O 3.53Å; G157-A190 WeakPolarHBondContact CA-O 3.03Å
158V90.4Very high78.8Confident0 Ų058.9 Ų58.90%029%0.292CS..EExtended strand (participates in β ladder)trans-134.5147.9-179.6-65.50000110.5L140 V144 C147 N168 L169 A190L140-V158 HydrophobicContact CD1-CG2 3.73Å; V144-V158 HydrophobicContact CG2-CG1 4.31Å; V144-V158 HydrophobicContact CG2-CG2 3.82Å; C147-V158 HydrophobicContact CB-CG1 3.7Å; V158-N168 CarbonylContact C-O 3.51Å; V158-N168 WeakPolarHBondContact CA-O 3.33Å; V158-L169 HydrophobicContact CG1-CD2 4.05Å; V158-A190 PolarHBondContact N-O 3.05Å; V158-A190 PolarHBondContact O-N 2.96Å
159H89.9Confident79.1Confident9 Ų955 Ų554%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-118.6110.8165.7173-140.4000108.2N168 I170 Y181 E187 I188 F189H159-N168 HydrophobicContact CB-CB 3.87Å; H159-N168 PolarHBondContact N-O 3.22Å; H159-N168 PolarHBondContact O-N 2.78Å; H159-I170 HydrophobicContact CB-CD1 4Å; H159-I170 HydrophobicContact CB-CG1 4.14Å; H159-Y181 HydrophobicContact CB-CE1 4.07Å; H159-Y181 AromaticContact CG-CE1 3.78Å; H159-Y181 AromaticContact ND1-CE1 3.36Å; H159-Y181 WeakPolarHBondContact ND1-CE1 2.98Å; H159-Y181 AromaticContact ND1-CZ 3.62Å; H159-Y181 PolarHBondContact ND1-OH 2.89Å; H159-E187 IonicContact CE1-OE2 2.79Å; H159-E187 PolarHBondContact CE1-OE2 3.18Å; H159-E187 VanDerWaalsContact NE2-CB 3.32Å; H159-E187 WeakPolarHBondContact NE2-CB 3.33Å; H159-E187 IonicContact NE2-OE2 2.98Å; H159-E187 PolarHBondContact NE2-OE2 2.79Å; H159-I188 CarbonylContact C-O 3.56Å; H159-I188 WeakPolarHBondContact CA-O 3.35Å; H159-F189 HydrophobicContact CB-CD2 3.78Å; H159-F189 HydrophobicContact CB-CE2 4.25Å
160Y86.1Confident79.5Confident4 Ų453.7 Ų53.72%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-117.6112.2-170-178.9-113.7000111.2V137 E138 S139 L140 C143 H162 I166 C167 I188V137-Y160 HydrophobicContact CB-CE2 4.3Å; V137-Y160 HydrophobicContact CG1-CE2 4.11Å; V137-Y160 WeakPolarHBondContact O-CE2 3.28Å; V137-Y160 PolarHBondContact O-OH 3.13Å; E138-Y160 PolarHBondContact O-OH 2.54Å; S139-Y160 WeakPolarHBondContact CA-OH 3.28Å; S139-Y160 PolarHBondContact N-OH 2.89Å; S139-Y160 VanDerWaalsContact N-OH 3.15Å; L140-Y160 HydrophobicContact CB-CD1 3.91Å; L140-Y160 HydrophobicContact CB-CE1 4.34Å; L140-Y160 HydrophobicContact CB-CG 4.44Å; L140-Y160 HydrophobicContact CD1-CD1 4.22Å; L140-Y160 HydrophobicContact CD1-CG 4.14Å; C143-Y160 HydrophobicContact CB-CD2 3.9Å; C143-Y160 HydrophobicContact CB-CG 4.37Å; Y160-H162 HydrophobicContact CD1-CB 4.46Å; Y160-H162 HydrophobicContact CE1-CB 3.84Å; Y160-H162 AromaticContact CE1-ND1 3.83Å; Y160-H162 PolarHBondContact OH-ND1 3.1Å; Y160-I166 WeakPolarHBondContact CD2-O 3.36Å; Y160-C167 HydrophobicContact CD2-CB 4.3Å; Y160-I188 PolarHBondContact N-O 3.17Å; Y160-I188 PolarHBondContact O-N 3.28Å
161A81.4Confident79.9Confident4 Ų452 Ų523%0.03326%0.26CS..EExtended strand (participates in β ladder)trans-9699.4175.900000109.1W163 S164 E165 I166 E187A161-W163 VanDerWaalsContact C-N 3.33Å; A161-W163 PolarHBondContact O-N 3.22Å; A161-S164 WeakPolarHBondContact CB-OG 3.42Å; A161-S164 PolarHBondContact O-N 2.95Å; A161-S164 PolarHBondContact O-OG 3.27Å; A161-E165 WeakPolarHBondContact O-CA 3.4Å; A161-E165 PolarHBondContact O-N 2.93Å; A161-I166 HydrophobicContact CB-CB 4.23Å; A161-I166 PolarHBondContact N-O 3.29Å; A161-I166 PolarHBondContact O-N 3.35Å; A161-E187 HydrophobicContact CB-CG 3.9Å; A161-E187 WeakPolarHBondContact CB-OE1 3.31Å
162H71.3Confident81.3Confident97 Ų9752.9 Ų52.945%0.44926%0.257SS..THydrogen-bonded Turntrans-60.9-40.4-171.9-177.647.6000113Y160 E165Y160-H162 HydrophobicContact CD1-CB 4.46Å; Y160-H162 HydrophobicContact CE1-CB 3.84Å; Y160-H162 AromaticContact CE1-ND1 3.83Å; Y160-H162 PolarHBondContact OH-ND1 3.1Å; H162-E165 PolarHBondContact O-N 2.76Å
163W65.1Low82.2Confident214 Ų21447.3 Ų47.381%0.81123%0.226SC*.THydrogen-bonded Turntrans-72.8-33.2-175.5-64.8108.3000114.2A161A161-W163 VanDerWaalsContact C-N 3.33Å; A161-W163 PolarHBondContact O-N 3.22Å
164S71.6Confident82.5Confident60 Ų6047.4 Ų47.442%0.4223%0.227SC..THydrogen-bonded Turntrans-93-4.4177.253.90000112.4A161 I166A161-S164 WeakPolarHBondContact CB-OG 3.42Å; A161-S164 PolarHBondContact O-N 2.95Å; A161-S164 PolarHBondContact O-OG 3.27Å; S164-I166 PolarHBondContact O-N 3.43Å
165E74.6Confident81.6Confident52 Ų5250.4 Ų50.424%0.24324%0.237CC..THydrogen-bonded Turntrans53.934.9-173.3-59.9178.7168.600111.6E135 G136 V137 A161 H162 R241E135-E165 CarbonylContact C-O 3.58Å; G136-E165 PolarHBondContact N-O 3.36Å; V137-E165 PolarHBondContact N-O 3.15Å; V137-E165 WeakPolarHBondContact O-CA 3.35Å; A161-E165 WeakPolarHBondContact O-CA 3.4Å; A161-E165 PolarHBondContact O-N 2.93Å; H162-E165 PolarHBondContact O-N 2.76Å; E165-R241 IonicContact OE1-CZ 2.76Å; E165-R241 IonicContact OE1-NH1 2.64Å; E165-R241 PolarHBondContact OE1-NH1 3.47Å; E165-R241 IonicContact OE1-NH2 2.71Å; E165-R241 PolarHBondContact OE1-NH2 3.37Å; E165-R241 IonicContact OE2-CZ 3.99Å; E165-R241 IonicContact OE2-NH1 3.13Å; E165-R241 PolarHBondContact OE2-NH1 2.79Å; E165-R241 IonicContact OE2-NH2 3.47Å
166I82.1Confident80Confident43 Ų4355.1 Ų55.122%0.22126%0.261CS..EExtended strand (participates in β ladder)trans-98.6130.8-179.6-65.5175.5000109.2L133 H134 E135 Y160 A161 S164L133-I166 HydrophobicContact CD1-CG2 3.32Å; L133-I166 HydrophobicContact CG-CG2 4.32Å; H134-I166 WeakPolarHBondContact O-CA 3.28Å; E135-I166 HydrophobicContact CG-CG1 4.44Å; Y160-I166 WeakPolarHBondContact CD2-O 3.36Å; A161-I166 HydrophobicContact CB-CB 4.23Å; A161-I166 PolarHBondContact N-O 3.29Å; A161-I166 PolarHBondContact O-N 3.35Å; S164-I166 PolarHBondContact O-N 3.43Å
167C85.7Confident78.4Confident0 Ų060 Ų600%028%0.281CS..EExtended strand (participates in β ladder)trans-119.2113.6173.1172.90000109.6H134 V137 C143 Y160H134-C167 HydrophobicContact CB-CB 4.26Å; H134-C167 PolarHBondContact N-O 2.77Å; H134-C167 PolarHBondContact O-N 2.87Å; V137-C167 HydrophobicContact CB-CB 3.67Å; V137-C167 HydrophobicContact CG1-CB 3.82Å; V137-C167 HydrophobicContact CG2-CB 3.58Å; C143-C167 WeakPolarHBondContact CA-SG 3.48Å; C143-C167 HydrophobicContact CB-CB 3.74Å; C143-C167 WeakPolarHBondContact CB-SG 3.28Å; C143-C167 WeakPolarHBondContact SG-CB 3.23Å; C143-C167 CovalentContact SG-SG 2.02Å; C143-C167 PolarHBondContact SG-SG 3.03Å; Y160-C167 HydrophobicContact CD2-CB 4.3Å
168N90.2Very high76.5Confident22 Ų2262.3 Ų62.312%0.11831%0.305CS..EExtended strand (participates in β ladder)trans-96.9126.4169.9-86.1-58.4000109.5S130 S132 L133 V158 H159 I170 Y181S130-N168 PolarHBondContact OG-OD1 3.16Å; S132-N168 CarbonylContact O-C 3.59Å; S132-N168 WeakPolarHBondContact O-CA 3.49Å; L133-N168 VanDerWaalsContact CD1-CG 3.45Å; L133-N168 WeakPolarHBondContact CD1-ND2 3.39Å; L133-N168 WeakPolarHBondContact CD1-OD1 3.08Å; V158-N168 CarbonylContact C-O 3.51Å; V158-N168 WeakPolarHBondContact CA-O 3.33Å; H159-N168 HydrophobicContact CB-CB 3.87Å; H159-N168 PolarHBondContact N-O 3.22Å; H159-N168 PolarHBondContact O-N 2.78Å; N168-I170 HydrophobicContact CB-CD1 4.29Å; N168-Y181 PolarHBondContact ND2-OH 3.45Å
169L90.5Very high74.9Confident0 Ų067.7 Ų67.70%033%0.333CS..EExtended strand (participates in β ladder)trans-88.4132.8173.3-57.5-165000109.3V131 S132 L146 C147 L150 V158V131-L169 PolarHBondContact N-O 2.94Å; S132-L169 PolarHBondContact O-N 3.43Å; S132-L169 WeakPolarHBondContact OG-CB 3.4Å; S132-L169 VanDerWaalsContact OG-CD1 3.28Å; S132-L169 WeakPolarHBondContact OG-CD1 3.07Å; S132-L169 WeakPolarHBondContact OG-CG 3.28Å; L146-L169 HydrophobicContact CB-CD1 4.34Å; L146-L169 HydrophobicContact CB-CD2 4.2Å; C147-L169 HydrophobicContact CB-CD2 3.89Å; L150-L169 HydrophobicContact CB-CD1 4.48Å; L150-L169 HydrophobicContact CD1-CD1 4.4Å; L150-L169 HydrophobicContact CD2-CD1 4.13Å; V158-L169 HydrophobicContact CG1-CD2 4.05Å
170I89.8Confident73.8Confident0 Ų072.5 Ų72.50%035%0.352CS..EExtended strand (participates in β ladder)trans-114.7133.2-168.8-55.3-59.5000111V128 E129 C155 V156 G157 H159 N168 Y181 F189V128-I170 HydrophobicContact CB-CG2 3.65Å; V128-I170 HydrophobicContact CG1-CG2 3.99Å; V128-I170 HydrophobicContact CG2-CG2 4.31Å; E129-I170 WeakPolarHBondContact O-CA 3.43Å; C155-I170 CarbonylContact C-O 3.4Å; C155-I170 WeakPolarHBondContact CA-O 3.45Å; V156-I170 WeakPolarHBondContact CG2-O 3.47Å; V156-I170 PolarHBondContact N-O 3.5Å; G157-I170 PolarHBondContact N-O 3.25Å; G157-I170 WeakPolarHBondContact O-CB 3.08Å; G157-I170 PolarHBondContact O-N 2.84Å; H159-I170 HydrophobicContact CB-CD1 4Å; H159-I170 HydrophobicContact CB-CG1 4.14Å; N168-I170 HydrophobicContact CB-CD1 4.29Å; I170-Y181 HydrophobicContact CD1-CD2 4.47Å; I170-Y181 HydrophobicContact CD1-CE1 4.35Å; I170-Y181 HydrophobicContact CD1-CE2 3.83Å; I170-F189 HydrophobicContact CB-CZ 4.49Å; I170-F189 HydrophobicContact CD1-CE2 4.04Å; I170-F189 HydrophobicContact CG1-CE2 3.89Å; I170-F189 HydrophobicContact CG1-CZ 4.13Å; I170-F189 HydrophobicContact CG2-CE2 4.32Å; I170-F189 HydrophobicContact CG2-CZ 3.86Å
171A87.8Confident73.1Confident7 Ų773.9 Ų73.96%0.05836%0.357CS..EExtended strand (participates in β ladder)trans-109.7165.6170.100000111.6V128 E129 V131 A154V128-A171 CarbonylContact C-O 3.51Å; V128-A171 VanDerWaalsContact CA-O 3.22Å; V128-A171 WeakPolarHBondContact CA-O 2.86Å; V128-A171 WeakPolarHBondContact CB-O 3.35Å; E129-A171 HydrophobicContact CG-CB 4.04Å; E129-A171 PolarHBondContact N-O 2.81Å; E129-A171 PolarHBondContact O-N 3Å; V131-A171 HydrophobicContact CG2-CB 3.24Å; A154-A171 VanDerWaalsContact O-CA 3.25Å; A154-A171 WeakPolarHBondContact O-CA 3.45Å; A154-A171 WeakPolarHBondContact O-CB 3.17Å
172R84.4Confident72.5Confident162 Ų16277.9 Ų77.961%0.61138%0.383SS*.EExtended strand (participates in β ladder)trans-78.9129.5166.6-67.4-174178.1-77.8-3.2109.1V156V156-R172 HydrophobicContact CB-CG 4.48Å; V156-R172 HydrophobicContact CG1-CG 4.07Å; V156-R172 HydrophobicContact CG2-CG 3.91Å
173E77.1Confident72.7Confident38 Ų3873.8 Ų73.818%0.17836%0.364CS..  trans-76.2122.7173.6-165.7-176.8-164.700109G127 N175G127-E173 PolarHBondContact O-N 3.07Å; E173-N175 VanDerWaalsContact C-N 3.31Å; E173-N175 WeakPolarHBondContact CG-O 3.29Å; E173-N175 PolarHBondContact O-N 2.99Å
174E67.4Low72.9Confident188 Ų18868.9 Ų68.988%0.87935%0.354SS*.SBendtrans-69.7-31.1-179.6-68.6-170.7162.800112.4
175N59.6Low72.3Confident104 Ų10474.7 Ų74.756%0.55637%0.374SS*.SBendtrans-108.796.2178.5-62.2-53.3000107.8E173 H177E173-N175 VanDerWaalsContact C-N 3.31Å; E173-N175 WeakPolarHBondContact CG-O 3.29Å; E173-N175 PolarHBondContact O-N 2.99Å; N175-H177 WeakPolarHBondContact CB-CD2 3.27Å; N175-H177 WeakPolarHBondContact CB-NE2 3.04Å; N175-H177 PolarHBondContact O-CD2 3.12Å; N175-H177 PolarHBondContact O-N 2.85Å
176N54.7Low71.9Confident118 Ų11878.2 Ų78.263%0.63140%0.395SS*.  trans-69.179.9179.4-17031.6000110.3G178N176-G178 PolarHBondContact O-N 2.76Å
177H55.8Low71.8Confident138 Ų13878.6 Ų78.664%0.63940%0.396SS*.  trans-72.29.4-175.9-81.6-92.7000113.3N175 L179N175-H177 WeakPolarHBondContact CB-CD2 3.27Å; N175-H177 WeakPolarHBondContact CB-NE2 3.04Å; N175-H177 PolarHBondContact O-CD2 3.12Å; N175-H177 PolarHBondContact O-N 2.85Å; H177-L179 HydrophobicContact CB-CD1 3.94Å; H177-L179 HydrophobicContact CB-CG 4.37Å; H177-L179 PolarHBondContact O-N 2.64Å
178G50.4Low71.7Confident49 Ų4981.2 Ų81.251%0.50541%0.409SS..SBendtrans69.518.6-172.800000112.8N176N176-G178 PolarHBondContact O-N 2.76Å
179L57.1Low71.6Confident112 Ų11280.2 Ų80.259%0.58640%0.404SS*.PPolyproline II helixtrans-81.5130.7173.2-76.1157.2000108.7H177H177-L179 HydrophobicContact CB-CD1 3.94Å; H177-L179 HydrophobicContact CB-CG 4.37Å; H177-L179 PolarHBondContact O-N 2.64Å
180Y67.2Low71.5Confident111 Ų11180.2 Ų80.244%0.43540%0.404SS..EExtended strand (participates in β ladder)trans-101.8133.2174.9-67.8-86.1000109.2R124R124-Y180 HydrophobicContact CB-CD1 4.1Å; R124-Y180 HydrophobicContact CB-CG 4.32Å
181Y70.7Confident71.5Confident33 Ų3381.9 Ų81.913%0.12941%0.411CS..EExtended strand (participates in β ladder)trans-79.2119.4170.9-170.8-81.7000109.1R124 V125 V128 H159 N168 I170 V183 F189R124-Y181 WeakPolarHBondContact CA-O 3.43Å; V125-Y181 PolarHBondContact N-O 2.84Å; V125-Y181 WeakPolarHBondContact O-CB 3.16Å; V125-Y181 PolarHBondContact O-N 2.8Å; V128-Y181 HydrophobicContact CG2-CG 4.19Å; H159-Y181 HydrophobicContact CB-CE1 4.07Å; H159-Y181 AromaticContact CG-CE1 3.78Å; H159-Y181 AromaticContact ND1-CE1 3.36Å; H159-Y181 WeakPolarHBondContact ND1-CE1 2.98Å; H159-Y181 AromaticContact ND1-CZ 3.62Å; H159-Y181 PolarHBondContact ND1-OH 2.89Å; N168-Y181 PolarHBondContact ND2-OH 3.45Å; I170-Y181 HydrophobicContact CD1-CD2 4.47Å; I170-Y181 HydrophobicContact CD1-CE1 4.35Å; I170-Y181 HydrophobicContact CD1-CE2 3.83Å; Y181-V183 HydrophobicContact CD1-CG2 4.17Å; Y181-F189 AromaticContact CD1-CD2 3.93Å; Y181-F189 HydrophobicContact CD1-CD2 3.93Å; Y181-F189 AromaticContact CD1-CE2 3.6Å; Y181-F189 HydrophobicContact CD1-CE2 3.6Å; Y181-F189 HydrophobicContact CE1-CD2 4Å; Y181-F189 AromaticContact CE1-CE2 3.86Å; Y181-F189 HydrophobicContact CE1-CE2 3.86Å; Y181-F189 HydrophobicContact CG-CE2 4.18Å
182P70.1Confident71.5Confident87 Ų8783.2 Ų83.257%0.56542%0.417SS*.EExtended strand (participates in β ladder)trans-73.8140.8179.531-33.7000110.9
183V74.1Confident71.6Confident11 Ų1181.4 Ų81.47%0.06741%0.414CS..  trans-127.7119.4174.1-176.40000107.2D123 V125 Y181 E187 F189D123-V183 PolarHBondContact O-N 2.77Å; V125-V183 HydrophobicContact CG2-CG2 4.05Å; Y181-V183 HydrophobicContact CD1-CG2 4.17Å; V183-E187 HydrophobicContact CG1-CB 4.31Å; V183-F189 HydrophobicContact CG1-CB 3.93Å; V183-F189 HydrophobicContact CG2-CB 3.73Å; V183-F189 HydrophobicContact CG2-CD2 3.66Å; V183-F189 HydrophobicContact CG2-CG 3.91Å
184D69.4Low72Confident111 Ų11182.7 Ų82.759%0.59442%0.42SS*.  trans-78.1158.8-179.1-72.3-32.1000111.7N186 E187D184-N186 PolarHBondContact O-N 3.15Å; D184-E187 HydrophobicContact CB-CG 4.03Å; D184-E187 WeakPolarHBondContact CB-OE2 3.38Å; D184-E187 PolarHBondContact N-OE2 3.33Å; D184-E187 VanDerWaalsContact N-OE2 3.13Å; D184-E187 PolarHBondContact O-N 3.4Å; D184-E187 VanDerWaalsContact O-N 3.11Å
185E59.2Low72.8Confident182 Ų18275.3 Ų75.385%0.8539%0.389SS*.THydrogen-bonded Turntrans-58.8126.4172-63.9-176.7175.500109.8
186N66Low74Confident126 Ų12677.3 Ų77.367%0.67439%0.388SS*.THydrogen-bonded Turntrans81.210.3-175.5-42.8-69.3000116.6D184D184-N186 PolarHBondContact O-N 3.15Å
187E81.4Confident75.1Confident52 Ų5275.7 Ų75.724%0.24338%0.383CS..EExtended strand (participates in β ladder)trans-96.9152166.7-54.9-174.1142.100110.3H159 A161 V183 D184H159-E187 IonicContact CE1-OE2 2.79Å; H159-E187 PolarHBondContact CE1-OE2 3.18Å; H159-E187 VanDerWaalsContact NE2-CB 3.32Å; H159-E187 WeakPolarHBondContact NE2-CB 3.33Å; H159-E187 IonicContact NE2-OE2 2.98Å; H159-E187 PolarHBondContact NE2-OE2 2.79Å; A161-E187 HydrophobicContact CB-CG 3.9Å; A161-E187 WeakPolarHBondContact CB-OE1 3.31Å; V183-E187 HydrophobicContact CG1-CB 4.31Å; D184-E187 HydrophobicContact CB-CG 4.03Å; D184-E187 WeakPolarHBondContact CB-OE2 3.38Å; D184-E187 PolarHBondContact N-OE2 3.33Å; D184-E187 VanDerWaalsContact N-OE2 3.13Å; D184-E187 PolarHBondContact O-N 3.4Å; D184-E187 VanDerWaalsContact O-N 3.11Å
188I82.7Confident75.3Confident54 Ų5472.7 Ų72.728%0.27737%0.372SS..EExtended strand (participates in β ladder)trans-106.2109.9-179.8-60.5176.2000108.5V119 L140 H159 Y160 A190V119-I188 HydrophobicContact CG1-CG2 4.25Å; L140-I188 HydrophobicContact CD1-CG2 4.12Å; L140-I188 HydrophobicContact CD2-CD1 4.11Å; L140-I188 HydrophobicContact CD2-CG2 4.05Å; H159-I188 CarbonylContact C-O 3.56Å; H159-I188 WeakPolarHBondContact CA-O 3.35Å; Y160-I188 PolarHBondContact N-O 3.17Å; Y160-I188 PolarHBondContact O-N 3.28Å; I188-A190 HydrophobicContact CG2-CB 4.27Å
189F87.7Confident75Confident1 Ų172.9 Ų72.90%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-98.2122165.9-166.5-76.3000109.5V119 I120 V125 V128 H159 I170 Y181 V183 F191V119-F189 WeakPolarHBondContact CA-O 3.07Å; I120-F189 HydrophobicContact CB-CD1 4.16Å; I120-F189 HydrophobicContact CG1-CD1 4.01Å; I120-F189 PolarHBondContact N-O 3.22Å; V125-F189 HydrophobicContact CB-CE1 4.11Å; V125-F189 HydrophobicContact CB-CE2 4.39Å; V125-F189 HydrophobicContact CB-CZ 4.02Å; V125-F189 HydrophobicContact CG1-CD1 4.42Å; V125-F189 HydrophobicContact CG1-CE1 3.72Å; V125-F189 HydrophobicContact CG1-CZ 3.84Å; V125-F189 HydrophobicContact CG2-CD1 3.81Å; V125-F189 HydrophobicContact CG2-CD2 4.31Å; V125-F189 HydrophobicContact CG2-CE1 3.91Å; V125-F189 HydrophobicContact CG2-CE2 4.38Å; V125-F189 HydrophobicContact CG2-CG 4.02Å; V125-F189 HydrophobicContact CG2-CZ 4.17Å; V128-F189 HydrophobicContact CB-CZ 4.49Å; V128-F189 HydrophobicContact CG1-CZ 4.42Å; V128-F189 HydrophobicContact CG2-CE2 4.45Å; V128-F189 HydrophobicContact CG2-CZ 3.96Å; H159-F189 HydrophobicContact CB-CD2 3.78Å; H159-F189 HydrophobicContact CB-CE2 4.25Å; I170-F189 HydrophobicContact CB-CZ 4.49Å; I170-F189 HydrophobicContact CD1-CE2 4.04Å; I170-F189 HydrophobicContact CG1-CE2 3.89Å; I170-F189 HydrophobicContact CG1-CZ 4.13Å; I170-F189 HydrophobicContact CG2-CE2 4.32Å; I170-F189 HydrophobicContact CG2-CZ 3.86Å; Y181-F189 AromaticContact CD1-CD2 3.93Å; Y181-F189 HydrophobicContact CD1-CD2 3.93Å; Y181-F189 AromaticContact CD1-CE2 3.6Å; Y181-F189 HydrophobicContact CD1-CE2 3.6Å; Y181-F189 HydrophobicContact CE1-CD2 4Å; Y181-F189 AromaticContact CE1-CE2 3.86Å; Y181-F189 HydrophobicContact CE1-CE2 3.86Å; Y181-F189 HydrophobicContact CG-CE2 4.18Å; V183-F189 HydrophobicContact CG1-CB 3.93Å; V183-F189 HydrophobicContact CG2-CB 3.73Å; V183-F189 HydrophobicContact CG2-CD2 3.66Å; V183-F189 HydrophobicContact CG2-CG 3.91Å; F189-F191 HydrophobicContact CE1-CD2 4.36Å; F189-F191 HydrophobicContact CE1-CE1 4.18Å; F189-F191 AromaticContact CE1-CE2 3.81Å; F189-F191 HydrophobicContact CE1-CE2 3.81Å; F189-F191 AromaticContact CE1-CZ 3.72Å; F189-F191 HydrophobicContact CE1-CZ 3.72Å; F189-F191 HydrophobicContact CZ-CZ 4.28Å
190A88.3Confident73.9Confident0 Ų073.7 Ų73.70%039%0.385CS..EExtended strand (participates in β ladder)trans-145136.4-177.600000113.5L117 N118 V119 G157 V158 I188L117-A190 HydrophobicContact CB-CB 4.08Å; L117-A190 HydrophobicContact CD1-CB 4.46Å; N118-A190 VanDerWaalsContact O-CA 3.29Å; N118-A190 WeakPolarHBondContact O-CA 3.36Å; V119-A190 HydrophobicContact CG2-CB 4.13Å; G157-A190 CarbonylContact C-O 3.53Å; G157-A190 WeakPolarHBondContact CA-O 3.03Å; V158-A190 PolarHBondContact N-O 3.05Å; V158-A190 PolarHBondContact O-N 2.96Å; I188-A190 HydrophobicContact CG2-CB 4.27Å
191F90.1Very high72.2Confident35 Ų3572.8 Ų72.815%0.15440%0.401CS..EExtended strand (participates in β ladder)trans-88.1138.8169.9-68-72.5000111L117 N118 I120 V125 V128 V156 F189 K193L117-F191 CarbonylContact C-O 3.52Å; L117-F191 WeakPolarHBondContact CA-O 3.36Å; N118-F191 PolarHBondContact N-O 2.97Å; N118-F191 PolarHBondContact O-N 2.9Å; I120-F191 HydrophobicContact CD1-CD2 4.06Å; I120-F191 HydrophobicContact CD1-CE2 4.28Å; I120-F191 HydrophobicContact CG1-CD2 3.93Å; I120-F191 HydrophobicContact CG1-CE2 3.98Å; V125-F191 HydrophobicContact CG1-CE2 4.26Å; V125-F191 HydrophobicContact CG1-CZ 4.1Å; V128-F191 HydrophobicContact CG1-CE1 3.72Å; V128-F191 HydrophobicContact CG1-CZ 3.6Å; V156-F191 HydrophobicContact CG2-CD1 3.97Å; V156-F191 HydrophobicContact CG2-CE1 3.98Å; F189-F191 HydrophobicContact CE1-CD2 4.36Å; F189-F191 HydrophobicContact CE1-CE1 4.18Å; F189-F191 AromaticContact CE1-CE2 3.81Å; F189-F191 HydrophobicContact CE1-CE2 3.81Å; F189-F191 AromaticContact CE1-CZ 3.72Å; F189-F191 HydrophobicContact CE1-CZ 3.72Å; F189-F191 HydrophobicContact CZ-CZ 4.28Å; F191-K193 PolarHBondContact O-N 3.26Å
192I88.4Confident70Confident35 Ų3579.5 Ų79.518%0.17943%0.434CS..EExtended strand (participates in β ladder)trans-77.8114.2172.4-57176.1000107.5L117 V144 C147 K148 V156 C195L117-I192 HydrophobicContact CD2-CB 4.28Å; L117-I192 HydrophobicContact CD2-CG1 3.8Å; L117-I192 HydrophobicContact CD2-CG2 4.46Å; V144-I192 HydrophobicContact CG1-CD1 3.86Å; V144-I192 HydrophobicContact CG1-CG1 4.24Å; C147-I192 HydrophobicContact CB-CD1 3.88Å; C147-I192 WeakPolarHBondContact SG-CD1 2.92Å; K148-I192 HydrophobicContact CG-CD1 4.29Å; V156-I192 PolarHBondContact O-N 2.87Å; I192-C195 VanDerWaalsContact CG2-SG 3.59Å
193K85.7Confident68Low125 Ų12581.3 Ų81.354%0.54345%0.445SS..EExtended strand (participates in β ladder)trans-85.4-58.5-177.9-178.8-173.6167.7-151.70111.1E116 F191E116-K193 HydrophobicContact CB-CB 4.32Å; E116-K193 HydrophobicContact CB-CD 4.41Å; E116-K193 WeakPolarHBondContact O-CB 3.33Å; E116-K193 PolarHBondContact O-N 2.99Å; E116-K193 IonicContact OE2-NZ 2.89Å; E116-K193 PolarHBondContact OE2-NZ 3.23Å; F191-K193 PolarHBondContact O-N 3.26Å
194E86.8Confident65.9Low64 Ų6489.9 Ų89.930%0.29949%0.485SS..EExtended strand (participates in β ladder)trans-151.2147.5175.360.3175147.600110.3C115 E116 R196C115-E194 CarbonylContact C-O 3.45Å; C115-E194 VanDerWaalsContact CA-O 3.31Å; C115-E194 WeakPolarHBondContact CA-O 3.29Å; E116-E194 HydrophobicContact CB-CG 4.13Å; E116-E194 HydrophobicContact CG-CG 4.23Å; E116-E194 PolarHBondContact N-O 3.05Å; E194-R196 IonicContact OE1-CZ 3.41Å; E194-R196 IonicContact OE1-NH2 3.18Å; E194-R196 PolarHBondContact OE1-NH2 3.11Å; E194-R196 IonicContact OE2-CZ 3.96Å; E194-R196 VanDerWaalsContact OE2-CZ 3.29Å; E194-R196 IonicContact OE2-NE 3.35Å; E194-R196 PolarHBondContact OE2-NE 3.31Å; E194-R196 IonicContact OE2-NH2 3.57Å; E194-R196 PolarHBondContact OE2-NH2 3.4Å
195C84.2Confident64.1Low34 Ų3492.8 Ų92.823%0.2349%0.494CS..EExtended strand (participates in β ladder)trans-123.6135.9171.7-630000108.9E113 S114 C115 I192E113-C195 VanDerWaalsContact OE2-CB 3.29Å; E113-C195 WeakPolarHBondContact OE2-CB 3.41Å; S114-C195 WeakPolarHBondContact O-CA 3.42Å; C115-C195 HydrophobicContact CB-CB 4.11Å; C115-C195 WeakPolarHBondContact CB-SG 3.22Å; C115-C195 WeakPolarHBondContact SG-CB 3.48Å; C115-C195 CovalentContact SG-SG 2.03Å; C115-C195 PolarHBondContact SG-SG 2.9Å; I192-C195 VanDerWaalsContact CG2-SG 3.59Å
196R84.6Confident62.6Low146 Ų14689.3 Ų89.355%0.55149%0.49SS*.EExtended strand (participates in β ladder)trans-121.1130.9178.4-62.4-177.9-175.6159.94.9108.6E113 S114 E194 N198E113-R196 CarbonylContact C-O 3.56Å; E113-R196 VanDerWaalsContact CA-O 3.28Å; E113-R196 WeakPolarHBondContact CA-O 3.27Å; S114-R196 PolarHBondContact N-O 2.7Å; S114-R196 PolarHBondContact O-N 2.87Å; E194-R196 IonicContact OE1-CZ 3.41Å; E194-R196 IonicContact OE1-NH2 3.18Å; E194-R196 PolarHBondContact OE1-NH2 3.11Å; E194-R196 IonicContact OE2-CZ 3.96Å; E194-R196 VanDerWaalsContact OE2-CZ 3.29Å; E194-R196 IonicContact OE2-NE 3.35Å; E194-R196 PolarHBondContact OE2-NE 3.31Å; E194-R196 IonicContact OE2-NH2 3.57Å; E194-R196 PolarHBondContact OE2-NH2 3.4Å; R196-N198 PolarHBondContact O-N 3.49Å
197T77.4Confident60.9Low83 Ų8389.9 Ų89.951%0.50949%0.491SS..EExtended strand (participates in β ladder)trans-61.7126.3168.540.20000108.7E113 G199E113-T197 HydrophobicContact CG-CG2 3.81Å; T197-G199 PolarHBondContact O-N 3.26Å
198N60.7Low58.4Low76 Ų7696.1 Ų96.141%0.40652%0.521SS..  trans-65.5105.2167.5-63.4-36.2000104.8S112 S114 R196S112-N198 VanDerWaalsContact O-CB 3.27Å; S112-N198 WeakPolarHBondContact O-CB 3.5Å; S112-N198 PolarHBondContact O-N 3.47Å; S112-N198 PolarHBondContact O-ND2 2.9Å; S114-N198 PolarHBondContact OG-ND2 2.87Å; S114-N198 PolarHBondContact OG-OD1 2.62Å; R196-N198 PolarHBondContact O-N 3.49Å
199G42.4Very low56.1Low53 Ų53100.3 Ų100.355%0.54654%0.542SS..PPolyproline II helixtrans-49.3150.9-179.100000110.4T197 A201T197-G199 PolarHBondContact O-N 3.26Å; G199-A201 PolarHBondContact O-N 2.69Å
200P34.8Very low53.4Low128 Ų128105.9 Ų105.983%0.83158%0.578SS**PPolyproline II helixtrans-51.3119.2-177.922.1-32.3000107.9Q202P200-Q202 PolarHBondContact O-N 2.59Å
201A30.7Very low50.7Low93 Ų93115 Ų11577%0.76962%0.621SS**PPolyproline II helixtrans-48.1116.3171.600000106.4G199 P203G199-A201 PolarHBondContact O-N 2.69Å; A201-P203 VanDerWaalsContact O-N 3.14Å
202Q26.2Very low48.2Very low174 Ų174121.8 Ų121.881%0.81365%0.653SS**PPolyproline II helixtrans-50.3127.8175.1-82.1178.1-15.900106.7P200 Q204P200-Q202 PolarHBondContact O-N 2.59Å; Q202-Q204 PolarHBondContact O-N 3Å
203P27.1Very low45.4Very low124 Ų124126.9 Ų126.981%0.80568%0.681SS**  trans-59.6108177.923-29.7000106.8A201 H205A201-P203 VanDerWaalsContact O-N 3.14Å; P203-H205 PolarHBondContact O-N 3.49Å
204Q31.1Very low42.9Very low192 Ų192128.2 Ų128.290%0.89769%0.692SS**  trans-64.6106.3169.5-74.9-172.7-27.700106.2Q202Q202-Q204 PolarHBondContact O-N 3Å
205H30.7Very low40.1Very low171 Ų171134.6 Ų134.679%0.79272%0.719SS**  trans35.4102169.7-82.3-77000116.3P203 I207P203-H205 PolarHBondContact O-N 3.49Å; H205-I207 PolarHBondContact O-N 2.82Å
206S27.3Very low37.6Very low109 Ų109138.3 Ų138.376%0.76274%0.743SS**  trans-54.9100.1152.843.60000109.1E208S206-E208 PolarHBondContact O-N 2.93Å
207I31.3Very low34.9Very low138 Ų138139.9 Ų139.971%0.70876%0.757SS**  trans-77.8107.6161.9-59.9177.3000105.4H205 I209H205-I207 PolarHBondContact O-N 2.82Å; I207-I209 HydrophobicContact CG2-CD1 4.28Å; I207-I209 HydrophobicContact CG2-CG1 3.74Å; I207-I209 PolarHBondContact O-N 2.7Å
208E28Very low32.6Very low184 Ų184141.6 Ų141.686%0.8677%0.772SS**  trans-66.2109.7165.8-67.9177170.500107.7S206S206-E208 PolarHBondContact O-N 2.93Å
209I34.3Very low31.2Very low142 Ų142141.7 Ų141.773%0.72878%0.779SS**  trans-107.1118.7166.7-54-177.5000106.5I207I207-I209 HydrophobicContact CG2-CD1 4.28Å; I207-I209 HydrophobicContact CG2-CG1 3.74Å; I207-I209 PolarHBondContact O-N 2.7Å
210P32.5Very low30.5Very low117 Ų117146.5 Ų146.576%0.7679%0.792SS**  trans-62.7141.1-177.3-18.930.4000112.4E212P210-E212 PolarHBondContact O-N 2.91Å
211E31Very low30.5Very low191 Ų191150.7 Ų150.789%0.89379%0.793SS**  trans-67.5112.3165.3-62.1177.3147.700108.8
212E38.3Very low30.8Very low178 Ų178154.5 Ų154.583%0.83279%0.794SS**  trans-165.7116.1155.4-109.9169-152.800110.4P210P210-E212 PolarHBondContact O-N 2.91Å
213D28.8Very low31Very low142 Ų142153.6 Ų153.676%0.75980%0.795SS**  trans43.9124.9149.6-60.6-29.9000120.8
214I33.2Very low31.3Very low154 Ų154153 Ų15379%0.7979%0.794SS**  168.5102.5115.6-79.4150.3000107.9P216I214-P216 HydrophobicContact CG2-CG 4.48Å
215F28.6Very low31.5Very low198 Ų198150.5 Ų150.587%0.86879%0.787SS**  trans-68.3142.7154.9-92.3-97.4000108.8
216P31.4Very low31.8Very low112 Ų112151.9 Ų151.973%0.72779%0.794SS**  -130136.3127.910.910.1000112.6I214I214-P216 HydrophobicContact CG2-CG 4.48Å
217E27.7Very low32.4Very low178 Ų178154.7 Ų154.783%0.83280%0.795SS**  trans-53.2164.4166.4-89.8170.2132.100114.6
218S29.8Very low32.9Very low119 Ų119151.1 Ų151.183%0.83278%0.782SS**  trans85.3134.817175.80000115.3
219S30.8Very low33.9Very low78 Ų78151.9 Ų151.955%0.54579%0.786SS.*  cis-149146.332.254.90000112.5
220D27Very low34.9Very low154 Ų154151.9 Ų151.982%0.82479%0.787SS**  trans-53.6125.9173.9-48.5-65.7000112.8
221Y35.2Very low36.6Very low217 Ų217149 Ų14985%0.85178%0.779SS**  trans-130.4105.9159.5-74.5-77.2000107.4
222E35.7Very low38.8Very low172 Ų172141.6 Ų141.680%0.80475%0.746SS**  trans-71.3148.5176-64.4174.3152.200111.4
223D30.8Very low40.7Very low156 Ų156135.8 Ų135.883%0.83472%0.723SS**  trans75.4123.7157.3-59.1-26.4000117.8
224S33.3Very low42.8Very low110 Ų110134.5 Ų134.577%0.76972%0.715SS**  cis-151.3108.826.655.90000111.4
225D35.1Very low44.6Very low141 Ų141129.2 Ų129.275%0.75469%0.687SS**  trans-79.1117.1166.5-64-50.4000109.3E227D225-E227 HydrophobicContact CB-CG 4.13Å; D225-E227 PolarHBondContact O-N 2.94Å
226E38Very low46.4Very low200 Ų200123.1 Ų123.194%0.93566%0.659SS**  trans-81.966.5152.9-73.7-172.2176.900107.7S228E226-S228 PolarHBondContact O-N 2.02Å; E226-S228 VanDerWaalsContact O-N 3.15Å
227E39.1Very low48Very low168 Ų168118 Ų11879%0.78563%0.625SS**  trans-65.3106.4160.5-86-174.1173.900107.2D225 E229D225-E227 HydrophobicContact CB-CG 4.13Å; D225-E227 PolarHBondContact O-N 2.94Å; E227-E229 PolarHBondContact O-N 3.43Å
228S42.4Very low49.5Very low63 Ų63112.3 Ų112.344%0.44160%0.598SS.*  trans-62.8132.1168.171.80000108.9E226 D230 G231 V232E226-S228 PolarHBondContact O-N 2.02Å; E226-S228 VanDerWaalsContact O-N 3.15Å; S228-D230 PolarHBondContact O-N 3.15Å; S228-G231 PolarHBondContact O-N 2.96Å; S228-V232 PolarHBondContact OG-O 2.79Å
229E49Very low50.7Low200 Ų200109.2 Ų109.294%0.93557%0.57SS**THydrogen-bonded Turntrans-55.92.9-170.7-79.7179134.600116.4E227E227-E229 PolarHBondContact O-N 3.43Å
230D56.3Low52.1Low141 Ų141107.2 Ų107.275%0.75456%0.555SS**THydrogen-bonded Turntrans-126.611.9-169.8-72.9-41.9000115.3S228 V232S228-D230 PolarHBondContact O-N 3.15Å; D230-V232 HydrophobicContact CB-CG2 4.13Å; D230-V232 PolarHBondContact O-N 2.82Å
231G67Low53.6Low57 Ų57102.9 Ų102.959%0.58853%0.527SS*.SBendtrans67.125.6-179.900000113.5S228S228-G231 PolarHBondContact O-N 2.96Å
232V77.5Confident55.1Low35 Ų3593.5 Ų93.521%0.21249%0.491CS..EExtended strand (participates in β ladder)trans-99.3127.9178.4-1790000109.2S228 D230 N245 L321S228-V232 PolarHBondContact OG-O 2.79Å; D230-V232 HydrophobicContact CB-CG2 4.13Å; D230-V232 PolarHBondContact O-N 2.82Å; V232-N245 HydrophobicContact CG1-CB 3.84Å; V232-L321 HydrophobicContact CB-CD1 4.32Å; V232-L321 HydrophobicContact CG1-CD1 3.82Å; V232-L321 HydrophobicContact CG2-CD1 3.5Å; V232-L321 VanDerWaalsContact CG2-CD1 3.5Å
233T77.9Confident56.8Low56 Ų5689.2 Ų89.234%0.34447%0.468SS..EExtended strand (participates in β ladder)trans-106.2148.4174.754.90000109.8I246T233-I246 PolarHBondContact N-O 2.8Å; T233-I246 PolarHBondContact O-N 2.88Å; T233-I246 PolarHBondContact OG1-O 2.03Å; T233-I246 VanDerWaalsContact OG1-O 3.04Å
234I73.2Confident59Low116 Ų11681.8 Ų81.860%0.59543%0.428SS*.EExtended strand (participates in β ladder)trans-100.9111.7173.3-55.6-177.8000107.4Y243 C244I234-Y243 HydrophobicContact CG2-CD1 3.84Å; I234-Y243 HydrophobicContact CG2-CG 4.3Å; I234-C244 WeakPolarHBondContact CA-O 3.12Å
235E70.4Confident61.5Low43 Ų4379.9 Ų79.920%0.20141%0.409CS..EExtended strand (participates in β ladder)trans-103.1132.2174.7-65.8-172.2-164.300109.5C244 I246 L274 K318E235-C244 PolarHBondContact N-O 2.74Å; E235-C244 PolarHBondContact O-N 2.97Å; E235-I246 HydrophobicContact CB-CD1 3.8Å; E235-I246 HydrophobicContact CB-CG1 4.47Å; E235-I246 HydrophobicContact CG-CD1 3.95Å; E235-I246 WeakPolarHBondContact OE2-CD1 3.5Å; E235-L274 VanDerWaalsContact OE2-CD1 3.27Å; E235-L274 WeakPolarHBondContact OE2-CD1 3.49Å; E235-K318 IonicContact OE1-NZ 2.86Å; E235-K318 PolarHBondContact OE1-NZ 3.47Å
236Y66.1Low64Low70 Ų7073.1 Ų73.128%0.27537%0.373SS..EExtended strand (participates in β ladder)trans-87.1112.2173.2177.9-113.6000109.7F238 Y243 A326Y236-F238 HydrophobicContact CD1-CB 4.46Å; Y236-F238 HydrophobicContact CE1-CB 4.07Å; Y236-F238 AromaticContact CE1-CD2 4Å; Y236-F238 HydrophobicContact CE1-CD2 4Å; Y236-F238 PolarHBondContact O-N 3.48Å; Y236-Y243 AromaticContact CD2-CD1 3.95Å; Y236-Y243 HydrophobicContact CD2-CD1 3.95Å; Y236-Y243 HydrophobicContact CD2-CD2 4.36Å; Y236-Y243 AromaticContact CD2-CE1 3.71Å; Y236-Y243 HydrophobicContact CD2-CE1 3.71Å; Y236-Y243 HydrophobicContact CD2-CE2 4.14Å; Y236-Y243 HydrophobicContact CD2-CG 4.27Å; Y236-Y243 AromaticContact CD2-CZ 3.81Å; Y236-Y243 HydrophobicContact CE2-CE2 4.48Å; Y236-Y243 HydrophobicContact CG-CD1 4.4Å; Y236-Y243 HydrophobicContact CG-CE1 4.03Å; Y236-A326 HydrophobicContact CE2-CB 4.02Å
237L66.5Low66.5Low3 Ų364.7 Ų64.72%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-86.296.4173.5-61.7-171.5000109.1Q239 T240 R241 E242 C244 L274 R278L237-Q239 VanDerWaalsContact C-N 3.28Å; L237-Q239 PolarHBondContact O-N 2.76Å; L237-T240 PolarHBondContact O-N 2.9Å; L237-R241 PolarHBondContact O-N 2.87Å; L237-E242 PolarHBondContact N-O 3.34Å; L237-E242 PolarHBondContact O-N 3.34Å; L237-C244 HydrophobicContact CD1-CB 4.35Å; L237-C244 WeakPolarHBondContact CD1-SG 3.17Å; L237-C244 HydrophobicContact CG-CB 4.4Å; L237-L274 HydrophobicContact CD1-CB 4.17Å; L237-L274 HydrophobicContact CD2-CB 3.78Å; L237-L274 HydrophobicContact CD2-CD1 3.83Å; L237-L274 HydrophobicContact CD2-CG 4.41Å; L237-R278 HydrophobicContact CD1-CG 3.66Å
238F58Low68.9Low59 Ų5960.2 Ų60.226%0.25932%0.318SS..G310 helixtrans-52.5-46.2-178.5179-91.6000112.1E138 Y236 T240 R241 T334 E350E138-F238 WeakPolarHBondContact OE2-CE1 3.34Å; Y236-F238 HydrophobicContact CD1-CB 4.46Å; Y236-F238 HydrophobicContact CE1-CB 4.07Å; Y236-F238 AromaticContact CE1-CD2 4Å; Y236-F238 HydrophobicContact CE1-CD2 4Å; Y236-F238 PolarHBondContact O-N 3.48Å; F238-T240 PolarHBondContact O-N 2.9Å; F238-R241 PolarHBondContact O-N 3.34Å; F238-R241 VanDerWaalsContact O-N 3.13Å; F238-T334 HydrophobicContact CE2-CG2 3.86Å; F238-T334 HydrophobicContact CZ-CG2 3.79Å; F238-E350 VanDerWaalsContact CE2-OE1 3.24Å; F238-E350 WeakPolarHBondContact CE2-OE1 3.29Å
239Q55.7Low71.1Confident54 Ų5460.3 Ų60.325%0.25231%0.309SS..G310 helixtrans-66-21.4-173.8-59.386.8-14.300114.1L237 F275L237-Q239 VanDerWaalsContact C-N 3.28Å; L237-Q239 PolarHBondContact O-N 2.76Å; Q239-F275 HydrophobicContact CB-CB 4.48Å; Q239-F275 HydrophobicContact CB-CD2 3.34Å; Q239-F275 HydrophobicContact CB-CE2 3.73Å; Q239-F275 HydrophobicContact CB-CG 4.05Å; Q239-F275 HydrophobicContact CG-CD2 4.11Å; Q239-F275 HydrophobicContact CG-CG 4.35Å
240T59.9Low72.8Confident37 Ų3752.7 Ų52.723%0.22728%0.276CS..G310 helixtrans-112.6-1.317659.50000113L237 F238 E242 F275 R278L237-T240 PolarHBondContact O-N 2.9Å; F238-T240 PolarHBondContact O-N 2.9Å; T240-E242 WeakPolarHBondContact CB-OE2 3.42Å; T240-E242 PolarHBondContact O-N 3.13Å; T240-E242 PolarHBondContact OG1-OE2 3.31Å; T240-F275 HydrophobicContact CG2-CD2 3.99Å; T240-F275 HydrophobicContact CG2-CE2 4.24Å; T240-R278 HydrophobicContact CG2-CB 4.03Å
241R57.8Low74.2Confident63 Ų6355.1 Ų55.124%0.23828%0.282CS..THydrogen-bonded Turntrans49.542.2-169.7-62-173175154.114.9113E138 E165 L237 F238 A326E138-R241 WeakPolarHBondContact OE1-CG 3.47Å; E138-R241 IonicContact OE1-CZ 2.81Å; E138-R241 IonicContact OE1-NE 3.87Å; E138-R241 PolarHBondContact OE1-NE 2.95Å; E138-R241 IonicContact OE1-NH2 3.48Å; E138-R241 PolarHBondContact OE1-NH2 3.4Å; E165-R241 IonicContact OE1-CZ 2.76Å; E165-R241 IonicContact OE1-NH1 2.64Å; E165-R241 PolarHBondContact OE1-NH1 3.47Å; E165-R241 IonicContact OE1-NH2 2.71Å; E165-R241 PolarHBondContact OE1-NH2 3.37Å; E165-R241 IonicContact OE2-CZ 3.99Å; E165-R241 IonicContact OE2-NH1 3.13Å; E165-R241 PolarHBondContact OE2-NH1 2.79Å; E165-R241 IonicContact OE2-NH2 3.47Å; L237-R241 PolarHBondContact O-N 2.87Å; F238-R241 PolarHBondContact O-N 3.34Å; F238-R241 VanDerWaalsContact O-N 3.13Å; R241-A326 WeakPolarHBondContact O-CB 2.98Å; R241-A326 PolarHBondContact O-N 2.88Å
242E67.7Low75.1Confident20 Ų2055.6 Ų55.69%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-116.1139.7-178.8-70171.714100111.2L237 T240 R278 C323 T324L237-E242 PolarHBondContact N-O 3.34Å; L237-E242 PolarHBondContact O-N 3.34Å; T240-E242 WeakPolarHBondContact CB-OE2 3.42Å; T240-E242 PolarHBondContact O-N 3.13Å; T240-E242 PolarHBondContact OG1-OE2 3.31Å; E242-R278 VanDerWaalsContact CD-NH2 3.34Å; E242-R278 IonicContact OE1-CZ 3.27Å; E242-R278 IonicContact OE1-NE 3.05Å; E242-R278 IonicContact OE1-NH2 2.85Å; E242-R278 PolarHBondContact OE1-NH2 3.41Å; E242-R278 IonicContact OE2-CZ 2.72Å; E242-R278 IonicContact OE2-NE 2.62Å; E242-R278 PolarHBondContact OE2-NE 2.86Å; E242-R278 IonicContact OE2-NH2 3.03Å; E242-R278 PolarHBondContact OE2-NH2 3.13Å; E242-C323 HydrophobicContact CB-CB 4.08Å; E242-C323 HydrophobicContact CG-CB 4.38Å; E242-T324 CarbonylContact C-O 3.59Å; E242-T324 VanDerWaalsContact CA-O 3.26Å; E242-T324 WeakPolarHBondContact CA-O 3.42Å
243Y70.6Confident75.5Confident82 Ų8262.2 Ų62.232%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-86.9119158.5-70.2-76.4000108.4I234 Y236 C323 T324 A326I234-Y243 HydrophobicContact CG2-CD1 3.84Å; I234-Y243 HydrophobicContact CG2-CG 4.3Å; Y236-Y243 AromaticContact CD2-CD1 3.95Å; Y236-Y243 HydrophobicContact CD2-CD1 3.95Å; Y236-Y243 HydrophobicContact CD2-CD2 4.36Å; Y236-Y243 AromaticContact CD2-CE1 3.71Å; Y236-Y243 HydrophobicContact CD2-CE1 3.71Å; Y236-Y243 HydrophobicContact CD2-CE2 4.14Å; Y236-Y243 HydrophobicContact CD2-CG 4.27Å; Y236-Y243 AromaticContact CD2-CZ 3.81Å; Y236-Y243 HydrophobicContact CE2-CE2 4.48Å; Y236-Y243 HydrophobicContact CG-CD1 4.4Å; Y236-Y243 HydrophobicContact CG-CE1 4.03Å; Y243-C323 CarbonylContact O-C 3.54Å; Y243-C323 WeakPolarHBondContact O-CA 3.12Å; Y243-T324 PolarHBondContact N-O 3.06Å; Y243-T324 PolarHBondContact O-N 3.15Å; Y243-T324 PolarHBondContact O-OG1 3.13Å; Y243-A326 HydrophobicContact CD2-CB 3.89Å; Y243-A326 HydrophobicContact CE2-CB 3.62Å
244C78.1Confident76Confident0 Ų062.9 Ų62.90%030%0.299CS..EExtended strand (participates in β ladder)trans-108.8128.6179.3-67.30000110.5I234 E235 L237 I246 G322 C323I234-C244 WeakPolarHBondContact CA-O 3.12Å; E235-C244 PolarHBondContact N-O 2.74Å; E235-C244 PolarHBondContact O-N 2.97Å; L237-C244 HydrophobicContact CD1-CB 4.35Å; L237-C244 WeakPolarHBondContact CD1-SG 3.17Å; L237-C244 HydrophobicContact CG-CB 4.4Å; C244-I246 HydrophobicContact CB-CD1 4.32Å; C244-I246 HydrophobicContact CB-CG1 4.13Å; C244-I246 PolarHBondContact O-N 3.34Å; C244-G322 CarbonylContact C-O 3.47Å; C244-G322 WeakPolarHBondContact CA-O 3.26Å; C244-C323 HydrophobicContact CB-CB 4.16Å; C244-C323 WeakPolarHBondContact CB-SG 3.36Å; C244-C323 WeakPolarHBondContact SG-CB 3.42Å; C244-C323 CovalentContact SG-SG 2.04Å; C244-C323 PolarHBondContact SG-SG 3.32Å
245N85.3Confident76.8Confident69 Ų6957.3 Ų57.337%0.36927%0.271SS..EExtended strand (participates in β ladder)trans-77118.2167.7-69.4-14.6000108.1V232 L321 G322V232-N245 HydrophobicContact CG1-CB 3.84Å; N245-L321 HydrophobicContact CB-CB 4.07Å; N245-L321 WeakPolarHBondContact O-CB 3.44Å; N245-L321 PolarHBondContact O-N 3.47Å; N245-G322 PolarHBondContact N-O 2.98Å
246I87.6Confident77.7Confident0 Ų061.8 Ų61.80%029%0.289CS..EExtended strand (participates in β ladder)trans-122.8128.7-174.7-65.3-171.9000109.8T233 E235 C244 L274 K318 E319T233-I246 PolarHBondContact N-O 2.8Å; T233-I246 PolarHBondContact O-N 2.88Å; T233-I246 PolarHBondContact OG1-O 2.03Å; T233-I246 VanDerWaalsContact OG1-O 3.04Å; E235-I246 HydrophobicContact CB-CD1 3.8Å; E235-I246 HydrophobicContact CB-CG1 4.47Å; E235-I246 HydrophobicContact CG-CD1 3.95Å; E235-I246 WeakPolarHBondContact OE2-CD1 3.5Å; C244-I246 HydrophobicContact CB-CD1 4.32Å; C244-I246 HydrophobicContact CB-CG1 4.13Å; C244-I246 PolarHBondContact O-N 3.34Å; I246-L274 HydrophobicContact CD1-CD1 3.84Å; I246-L274 HydrophobicContact CD1-CD2 3.89Å; I246-K318 HydrophobicContact CG2-CB 3.74Å; I246-K318 HydrophobicContact CG2-CD 3.74Å; I246-K318 HydrophobicContact CG2-CG 4.08Å; I246-E319 VanDerWaalsContact CA-O 3.28Å; I246-E319 WeakPolarHBondContact CA-O 3.43Å
247S90.4Very high78.9Confident23 Ų2359.4 Ų59.416%0.16129%0.286CS..EExtended strand (participates in β ladder)trans-97.2123.5168.1179.90000109.2E319S247-E319 PolarHBondContact N-O 3.25Å; S247-E319 PolarHBondContact O-N 3.31Å
248D88.9Confident80.1Confident74 Ų7459.7 Ų59.740%0.39629%0.287SS..EExtended strand (participates in β ladder)trans-82.6117.5172.9-163.3-29.4000109.8T250 K318D248-T250 WeakPolarHBondContact OD1-CB 3.05Å; D248-T250 PolarHBondContact OD1-N 2.83Å; D248-T250 PolarHBondContact OD1-OG1 2.85Å; D248-K318 HydrophobicContact CB-CD 4.07Å; D248-K318 WeakPolarHBondContact OD2-CE 3.48Å; D248-K318 IonicContact OD2-NZ 3.82Å; D248-K318 PolarHBondContact OD2-NZ 2.78Å
249R89.3Confident81.6Confident65 Ų6559.3 Ų59.325%0.24529%0.29CS..  trans-118.123.1179-52.9-159.370.8-167.75.5112E251 E252 I255 F317R249-E251 PolarHBondContact O-N 3.48Å; R249-E252 IonicContact CZ-OE1 3.39Å; R249-E252 IonicContact CZ-OE2 3.29Å; R249-E252 VanDerWaalsContact NE-CD 3.34Å; R249-E252 IonicContact NE-OE1 2.69Å; R249-E252 PolarHBondContact NE-OE1 2.81Å; R249-E252 IonicContact NE-OE2 3.03Å; R249-E252 IonicContact NH1-OE2 2.9Å; R249-E252 IonicContact NH2-OE1 3.94Å; R249-E252 PolarHBondContact NH2-OE1 2.04Å; R249-E252 IonicContact NH2-OE2 2.77Å; R249-E252 PolarHBondContact NH2-OE2 2.85Å; R249-E252 WeakPolarHBondContact O-CB 3.44Å; R249-E252 PolarHBondContact O-N 2.89Å; R249-E252 VanDerWaalsContact O-N 3.14Å; R249-I255 HydrophobicContact CB-CD1 3.7Å; R249-F317 HydrophobicContact CB-CD1 4.08Å; R249-F317 PolarHBondContact N-O 2.82Å
250T85.6Confident83.3Confident40 Ų4060.8 Ų60.825%0.24530%0.299CS..THydrogen-bonded Turntrans-61.3-30.7-175.9-610000113.2D248 E252 A315 V316 F317D248-T250 WeakPolarHBondContact OD1-CB 3.05Å; D248-T250 PolarHBondContact OD1-N 2.83Å; D248-T250 PolarHBondContact OD1-OG1 2.85Å; T250-E252 PolarHBondContact O-N 2.88Å; T250-A315 VanDerWaalsContact CG2-O 3.22Å; T250-A315 WeakPolarHBondContact CG2-O 3.23Å; T250-V316 HydrophobicContact CG2-CG2 4.4Å; T250-V316 WeakPolarHBondContact OG1-CA 3.37Å; T250-F317 PolarHBondContact OG1-N 2.93Å; T250-F317 PolarHBondContact OG1-O 3.44Å
251E84.3Confident84.5Confident191 Ų19160.7 Ų60.789%0.89330%0.299SS*.THydrogen-bonded Turntrans-74.2-13.3-179.4-58.4-162.2156.500113.5R249 K253R249-E251 PolarHBondContact O-N 3.48Å; E251-K253 PolarHBondContact O-N 2.81Å
252E86.5Confident85.6Confident68 Ų6859.2 Ų59.232%0.31830%0.298SS..  trans-85.2120-175.8-66.1-172.9-142.300112.4R249 T250 T254 I255 V311R249-E252 IonicContact CZ-OE1 3.39Å; R249-E252 IonicContact CZ-OE2 3.29Å; R249-E252 VanDerWaalsContact NE-CD 3.34Å; R249-E252 IonicContact NE-OE1 2.69Å; R249-E252 PolarHBondContact NE-OE1 2.81Å; R249-E252 IonicContact NE-OE2 3.03Å; R249-E252 IonicContact NH1-OE2 2.9Å; R249-E252 IonicContact NH2-OE1 3.94Å; R249-E252 PolarHBondContact NH2-OE1 2.04Å; R249-E252 IonicContact NH2-OE2 2.77Å; R249-E252 PolarHBondContact NH2-OE2 2.85Å; R249-E252 WeakPolarHBondContact O-CB 3.44Å; R249-E252 PolarHBondContact O-N 2.89Å; R249-E252 VanDerWaalsContact O-N 3.14Å; T250-E252 PolarHBondContact O-N 2.88Å; E252-T254 VanDerWaalsContact C-N 3.28Å; E252-T254 PolarHBondContact O-N 3.18Å; E252-I255 HydrophobicContact CB-CD1 4.36Å; E252-I255 HydrophobicContact CB-CG1 3.79Å; E252-V311 WeakPolarHBondContact O-CB 3.28Å; E252-V311 WeakPolarHBondContact O-CG2 3.45Å
253K85.5Confident86.4Confident174 Ų17461.7 Ų61.776%0.75732%0.315SS*.SBendtrans-63.2-36.4178.8-66.4-179.3-178.71730112.7E251 T310 V311E251-K253 PolarHBondContact O-N 2.81Å; K253-T310 WeakPolarHBondContact O-CA 3.49Å; K253-V311 PolarHBondContact O-N 3.34Å; K253-V311 VanDerWaalsContact O-N 3.13Å
254T88.3Confident86.4Confident69 Ų6959.4 Ų59.442%0.42331%0.307SS..EExtended strand (participates in β ladder)trans-140.2117.5-176.7-53.80000109.2E252 E308 V309E252-T254 VanDerWaalsContact C-N 3.28Å; E252-T254 PolarHBondContact O-N 3.18Å; T254-E308 HydrophobicContact CG2-CB 4.14Å; T254-V309 CarbonylContact C-O 3.58Å; T254-V309 WeakPolarHBondContact CA-O 3.49Å
255I90Very high85.9Confident0 Ų064 Ų640%034%0.337CS..EExtended strand (participates in β ladder)trans-107.8126.7-180-58174.5000107.7R249 E252 F258 E308 V309 V311 F317R249-I255 HydrophobicContact CB-CD1 3.7Å; E252-I255 HydrophobicContact CB-CD1 4.36Å; E252-I255 HydrophobicContact CB-CG1 3.79Å; I255-F258 HydrophobicContact CG2-CD2 3.56Å; I255-F258 HydrophobicContact CG2-CE2 3.71Å; I255-E308 CarbonylContact O-C 3.48Å; I255-E308 WeakPolarHBondContact O-CA 3.22Å; I255-V309 PolarHBondContact N-O 3.35Å; I255-V309 PolarHBondContact O-N 3.28Å; I255-V311 HydrophobicContact CD1-CG2 3.56Å; I255-V311 HydrophobicContact CG1-CG2 4.06Å; I255-F317 HydrophobicContact CD1-CB 4.01Å; I255-F317 HydrophobicContact CD1-CD1 3.34Å; I255-F317 HydrophobicContact CD1-CD2 3.88Å; I255-F317 HydrophobicContact CD1-CE1 3.66Å; I255-F317 HydrophobicContact CD1-CE2 4.17Å; I255-F317 HydrophobicContact CD1-CG 3.45Å; I255-F317 VanDerWaalsContact CD1-CG 3.45Å; I255-F317 HydrophobicContact CD1-CZ 4.06Å; I255-F317 HydrophobicContact CG2-CE1 4.31Å; I255-F317 HydrophobicContact CG2-CZ 4.41Å
256K89.9Confident84.8Confident136 Ų13666.3 Ų66.359%0.59135%0.345SS*.EExtended strand (participates in β ladder)trans-93.2158.1176.3-50.9-163.6-176.2-140.50110.6F258 A307 E308K256-F258 WeakPolarHBondContact O-CD2 3.02Å; K256-A307 CarbonylContact C-O 3.59Å; K256-E308 HydrophobicContact CB-CG 4.47Å; K256-E308 HydrophobicContact CD-CG 4.41Å; K256-E308 WeakPolarHBondContact CD-OE1 3.13Å; K256-E308 WeakPolarHBondContact CE-OE1 3.39Å; K256-E308 HydrophobicContact CG-CG 4.01Å; K256-E308 IonicContact NZ-OE1 2.74Å; K256-E308 PolarHBondContact NZ-OE1 3.18Å
257G91.1Very high83.6Confident20 Ų2066.4 Ų66.421%0.20635%0.346CS..EExtended strand (participates in β ladder)trans95.47.8171.500000115R303 N304 A307G257-R303 WeakPolarHBondContact O-CA 3.38Å; G257-N304 CarbonylContact C-O 3.37Å; G257-N304 WeakPolarHBondContact CA-O 3.46Å; G257-N304 PolarHBondContact O-N 3.13Å; G257-A307 PolarHBondContact N-O 2.84Å
258F91.7Very high82.1Confident9 Ų967.5 Ų67.54%0.03935%0.35CS..EExtended strand (participates in β ladder)trans-131.1135.3-174.1-66.7-80.1000112.4I255 K256 A287 A288 Y301 G302 N304 A307 V309 F317 E319I255-F258 HydrophobicContact CG2-CD2 3.56Å; I255-F258 HydrophobicContact CG2-CE2 3.71Å; K256-F258 WeakPolarHBondContact O-CD2 3.02Å; F258-A287 HydrophobicContact CE1-CB 4.03Å; F258-A288 HydrophobicContact CD1-CB 3.72Å; F258-A288 HydrophobicContact CE1-CB 3.5Å; F258-A288 VanDerWaalsContact CE1-CB 3.5Å; F258-A288 HydrophobicContact CZ-CB 4.14Å; F258-Y301 HydrophobicContact CB-CD1 4.08Å; F258-Y301 HydrophobicContact CB-CG 4.35Å; F258-G302 WeakPolarHBondContact CA-O 3.36Å; F258-N304 PolarHBondContact N-O 3.13Å; F258-A307 WeakPolarHBondContact O-CB 3.02Å; F258-V309 HydrophobicContact CB-CG2 3.8Å; F258-V309 VanDerWaalsContact O-CG2 3.3Å; F258-V309 WeakPolarHBondContact O-CG2 3.02Å; F258-F317 HydrophobicContact CD1-CZ 4.49Å; F258-F317 HydrophobicContact CD2-CE1 4.49Å; F258-F317 HydrophobicContact CD2-CZ 4.09Å; F258-F317 HydrophobicContact CE2-CE1 4.4Å; F258-F317 HydrophobicContact CE2-CZ 4.42Å; F258-F317 HydrophobicContact CG-CZ 4.11Å; F258-E319 HydrophobicContact CE1-CG 4.46Å; F258-E319 HydrophobicContact CZ-CB 4.41Å; F258-E319 HydrophobicContact CZ-CG 3.92Å
259V90.1Very high81.2Confident52 Ų5265.5 Ų65.532%0.31534%0.342SS..EExtended strand (participates in β ladder)trans-118.9136.9174.164.60000109.7T261 Y301 G302 N304 A307V259-T261 PolarHBondContact O-N 2.84Å; V259-Y301 VanDerWaalsContact C-CD1 3.49Å; V259-Y301 CarbonylContact O-C 3.55Å; V259-Y301 WeakPolarHBondContact O-CA 3.48Å; V259-G302 PolarHBondContact N-O 2.79Å; V259-G302 PolarHBondContact O-N 2.02Å; V259-N304 HydrophobicContact CB-CB 3.75Å; V259-N304 HydrophobicContact CG1-CB 3.65Å; V259-A307 HydrophobicContact CB-CB 4.1Å
260L90.1Very high80.8Confident84 Ų8464.1 Ų64.144%0.4434%0.339SS..EExtended strand (participates in β ladder)trans-61.5124.7176.2-177.771.2000109.5S262 N299 Y301L260-S262 WeakPolarHBondContact CD1-O 3.3Å; L260-N299 HydrophobicContact CD1-CB 3.63Å; L260-Y301 HydrophobicContact CB-CD1 4.32Å; L260-Y301 HydrophobicContact CB-CE1 3.96Å; L260-Y301 HydrophobicContact CD1-CE1 4.03Å; L260-Y301 HydrophobicContact CD1-CE2 4.29Å
261T84.8Confident79.9Confident36 Ų3666.3 Ų66.322%0.22135%0.349CS..EExtended strand (participates in β ladder)trans-103.6-39.8177.553.90000112.1V259 V284 T300 G302V259-T261 PolarHBondContact O-N 2.84Å; T261-V284 HydrophobicContact CG2-CB 3.98Å; T261-V284 HydrophobicContact CG2-CG1 4.02Å; T261-T300 PolarHBondContact N-O 2.89Å; T261-T300 VanDerWaalsContact OG1-C 3.32Å; T261-T300 PolarHBondContact OG1-O 2.72Å; T261-T300 VanDerWaalsContact OG1-O 3.1Å; T261-T300 PolarHBondContact OG1-OG1 3.15Å; T261-G302 VanDerWaalsContact CG2-N 3.31Å
262S82.6Confident79.1Confident31 Ų3157.9 Ų57.922%0.21731%0.31CS..EExtended strand (participates in β ladder)trans-150.5158.7178.2-171.70000111.1L260 N299 T300L260-S262 WeakPolarHBondContact CD1-O 3.3Å; S262-N299 WeakPolarHBondContact O-CA 3.13Å; S262-T300 VanDerWaalsContact CB-OG1 3.31Å; S262-T300 WeakPolarHBondContact CB-OG1 3.15Å; S262-T300 PolarHBondContact N-OG1 3.33Å; S262-T300 VanDerWaalsContact N-OG1 3.15Å; S262-T300 PolarHBondContact O-N 3.17Å; S262-T300 PolarHBondContact O-OG1 3.19Å
263T83.1Confident78.7Confident73 Ų7354.6 Ų54.645%0.44830%0.295SS..EExtended strand (participates in β ladder)trans-132.2119.7174.1-65.10000108.3C298 N299T263-C298 CarbonylContact C-O 3.57Å; T263-C298 WeakPolarHBondContact CA-O 3.49Å; T263-N299 WeakPolarHBondContact CG2-OD1 3.32Å; T263-N299 PolarHBondContact OG1-OD1 2.79Å
264M70.5Confident78.6Confident34 Ų3446.3 Ų46.317%0.16726%0.259CS..EExtended strand (participates in β ladder)trans-107116.3176.4-161.9172-61.200110.3L149 T267 F276 S297 C298L149-M264 HydrophobicContact CD2-CE 3.66Å; L149-M264 HydrophobicContact CD2-SD 3.83Å; M264-T267 PolarHBondContact O-OG1 2.88Å; M264-F276 HydrophobicContact CE-CB 4.17Å; M264-F276 HydrophobicContact CE-CD1 3.41Å; M264-F276 VanDerWaalsContact CE-CD1 3.41Å; M264-F276 HydrophobicContact CE-CD2 3.88Å; M264-F276 HydrophobicContact CE-CE1 3.61Å; M264-F276 HydrophobicContact CE-CE2 4.07Å; M264-F276 HydrophobicContact CE-CG 3.56Å; M264-F276 HydrophobicContact CE-CZ 3.91Å; M264-F276 HydrophobicContact SD-CD1 3.79Å; M264-F276 HydrophobicContact SD-CD2 3.54Å; M264-F276 VanDerWaalsContact SD-CD2 3.54Å; M264-F276 HydrophobicContact SD-CE1 3.43Å; M264-F276 WeakPolarHBondContact SD-CE1 3.38Å; M264-F276 HydrophobicContact SD-CE2 3.17Å; M264-F276 WeakPolarHBondContact SD-CE2 3.5Å; M264-F276 HydrophobicContact SD-CG 3.84Å; M264-F276 HydrophobicContact SD-CZ 3.07Å; M264-F276 WeakPolarHBondContact SD-CZ 3.39Å; M264-S297 CarbonylContact O-C 3.53Å; M264-S297 WeakPolarHBondContact O-CA 3.38Å; M264-S297 WeakPolarHBondContact O-CB 3.24Å; M264-C298 HydrophobicContact CB-CB 4.34Å; M264-C298 PolarHBondContact N-O 3.11Å; M264-C298 PolarHBondContact O-N 2.84Å
265P68.8Low77.9Confident95 Ų9543.8 Ų43.862%0.61724%0.242SC*.THydrogen-bonded Turntrans-70.9158.3169.231.1-32.4000110.5T267P265-T267 VanDerWaalsContact C-N 3.29Å; P265-T267 PolarHBondContact O-N 2.96Å
266E62Low77.3Confident119 Ų11944 Ų4456%0.55624%0.243SC*.THydrogen-bonded Turntrans63.623.2170.1-54.5-175.7176.400116.7N268 R296E266-N268 PolarHBondContact O-N 3.23Å; E266-N268 PolarHBondContact O-ND2 3.08Å; E266-N268 VanDerWaalsContact O-ND2 3.13Å; E266-R296 CarbonylContact C-O 3.56Å; E266-R296 VanDerWaalsContact C-O 3.28Å; E266-R296 VanDerWaalsContact CA-O 3.25Å; E266-R296 WeakPolarHBondContact CA-O 3.11Å; E266-R296 PolarHBondContact N-O 2.69Å; E266-R296 VanDerWaalsContact N-O 3.1Å
267T62.1Low77Confident1 Ų137.8 Ų37.81%0.00622%0.217CC..  trans-69.8116.1169.6-48.60000111.3M264 P265 S269 N272 C273 F276 Y291 R296 C298M264-T267 PolarHBondContact O-OG1 2.88Å; P265-T267 VanDerWaalsContact C-N 3.29Å; P265-T267 PolarHBondContact O-N 2.96Å; T267-S269 WeakPolarHBondContact CG2-O 3.36Å; T267-S269 PolarHBondContact O-N 3.01Å; T267-N272 HydrophobicContact CG2-CB 3.71Å; T267-C273 HydrophobicContact CG2-CB 4.13Å; T267-F276 HydrophobicContact CG2-CD2 4.23Å; T267-F276 HydrophobicContact CG2-CE2 3.79Å; T267-Y291 HydrophobicContact CG2-CD2 4.47Å; T267-Y291 HydrophobicContact CG2-CE2 4.12Å; T267-Y291 WeakPolarHBondContact O-CE2 3.5Å; T267-Y291 PolarHBondContact O-OH 3.32Å; T267-R296 PolarHBondContact N-O 3.27Å; T267-R296 CarbonylContact O-C 3.52Å; T267-R296 VanDerWaalsContact O-C 3.29Å; T267-R296 WeakPolarHBondContact O-CB 3.4Å; T267-R296 VanDerWaalsContact O-O 3.07Å; T267-C298 HydrophobicContact CG2-CB 3.85Å; T267-C298 WeakPolarHBondContact OG1-CB 3.38Å; T267-C298 PolarHBondContact OG1-N 3.18Å
268N59.9Low76.4Confident46 Ų4641.1 Ų41.125%0.24622%0.223CC..  trans-85-8.2-170.8-62.1-60000115.6S112 E266 Y291S112-N268 WeakPolarHBondContact CB-ND2 3.21Å; S112-N268 VanDerWaalsContact OG-CG 3.3Å; S112-N268 PolarHBondContact OG-ND2 2.71Å; E266-N268 PolarHBondContact O-N 3.23Å; E266-N268 PolarHBondContact O-ND2 3.08Å; E266-N268 VanDerWaalsContact O-ND2 3.13Å; N268-Y291 PolarHBondContact O-OH 3.48Å
269S69.3Low75.3Confident33 Ų3342.4 Ų42.423%0.23124%0.235CC..  trans-153.7162.3178.667.60000112.5T267 D271 N272 C273T267-S269 WeakPolarHBondContact CG2-O 3.36Å; T267-S269 PolarHBondContact O-N 3.01Å; S269-D271 VanDerWaalsContact C-N 3.33Å; S269-N272 PolarHBondContact OG-N 2.86Å; S269-N272 VanDerWaalsContact OG-N 3.15Å; S269-N272 PolarHBondContact OG-ND2 2.67Å; S269-N272 PolarHBondContact OG-OD1 2.88Å; S269-C273 PolarHBondContact O-N 2.9Å
270L80Confident74Confident35 Ų3542.3 Ų42.318%0.18325%0.245CC..Hα-helixtrans-63.7-39.1170.5179.163000111.5N272 C273 L274 V289 Y291 V316 K318L270-N272 VanDerWaalsContact C-N 3.31Å; L270-N272 PolarHBondContact O-N 3.39Å; L270-C273 CarbonylContact O-C 3.53Å; L270-C273 WeakPolarHBondContact O-CA 3.48Å; L270-C273 WeakPolarHBondContact O-CB 3.47Å; L270-C273 PolarHBondContact O-N 3.34Å; L270-L274 HydrophobicContact CG-CD1 4.32Å; L270-L274 PolarHBondContact O-N 3.18Å; L270-V289 HydrophobicContact CD1-CG2 4.22Å; L270-Y291 HydrophobicContact CB-CD1 4.49Å; L270-Y291 HydrophobicContact CB-CG 4.48Å; L270-Y291 HydrophobicContact CD1-CG 4.43Å; L270-V316 HydrophobicContact CD1-CG1 4.25Å; L270-V316 HydrophobicContact CD2-CG1 3.97Å; L270-K318 HydrophobicContact CD1-CG 4.17Å; L270-K318 HydrophobicContact CD2-CG 4.13Å
271D68.4Low72.3Confident86 Ų8641.5 Ų41.546%0.4624%0.236SC..Hα-helixtrans-59.3-42.1179-51.2-27.7000111.9S269 C273 L274 F275S269-D271 VanDerWaalsContact C-N 3.33Å; D271-C273 VanDerWaalsContact C-N 3.26Å; D271-C273 PolarHBondContact O-N 3.44Å; D271-L274 PolarHBondContact O-N 2.02Å; D271-F275 PolarHBondContact O-N 3.22Å
272N67.2Low70.9Confident14 Ų1441.9 Ų41.98%0.07524%0.239CC..Hα-helixtrans-62.9-39.3174.9-68.9-13.2000110.6I110 T267 S269 L270 L274 F275 F276I110-N272 HydrophobicContact CG2-CB 4.5Å; T267-N272 HydrophobicContact CG2-CB 3.71Å; S269-N272 PolarHBondContact OG-N 2.86Å; S269-N272 VanDerWaalsContact OG-N 3.15Å; S269-N272 PolarHBondContact OG-ND2 2.67Å; S269-N272 PolarHBondContact OG-OD1 2.88Å; L270-N272 VanDerWaalsContact C-N 3.31Å; L270-N272 PolarHBondContact O-N 3.39Å; N272-L274 PolarHBondContact O-N 2.97Å; N272-F275 PolarHBondContact O-N 3.47Å; N272-F276 HydrophobicContact CB-CE2 4.04Å; N272-F276 WeakPolarHBondContact O-CD2 3.29Å; N272-F276 WeakPolarHBondContact O-CE2 3.46Å; N272-F276 VanDerWaalsContact O-CG 3.27Å; N272-F276 WeakPolarHBondContact O-CG 3.31Å; N272-F276 PolarHBondContact O-N 2.97Å
273C78.2Confident69.8Low0 Ų044.7 Ų44.70%027%0.273CS..Hα-helixtrans-61.7-43.2177-166.10000111.8T267 S269 L270 D271 F276 C277 V289 Y291 C298T267-C273 HydrophobicContact CG2-CB 4.13Å; S269-C273 PolarHBondContact O-N 2.9Å; L270-C273 CarbonylContact O-C 3.53Å; L270-C273 WeakPolarHBondContact O-CA 3.48Å; L270-C273 WeakPolarHBondContact O-CB 3.47Å; L270-C273 PolarHBondContact O-N 3.34Å; D271-C273 VanDerWaalsContact C-N 3.26Å; D271-C273 PolarHBondContact O-N 3.44Å; C273-F276 PolarHBondContact O-N 2.96Å; C273-C277 PolarHBondContact O-N 3.26Å; C273-C277 VanDerWaalsContact O-N 3.15Å; C273-V289 VanDerWaalsContact SG-CB 3.59Å; C273-Y291 HydrophobicContact CB-CD2 4.21Å; C273-C298 WeakPolarHBondContact CA-SG 2.96Å; C273-C298 HydrophobicContact CB-CB 3.68Å; C273-C298 WeakPolarHBondContact CB-SG 3.47Å; C273-C298 VanDerWaalsContact SG-CA 3.57Å; C273-C298 WeakPolarHBondContact SG-CB 3.23Å; C273-C298 CovalentContact SG-SG 2.02Å; C273-C298 PolarHBondContact SG-SG 2.85Å
274L83.1Confident69Low0 Ų044.5 Ų44.50%027%0.271CS..Hα-helixtrans-64.4-43.9174.2-68.3168000111.8E235 L237 I246 L270 D271 N272 F276 C277 R278 V289 K318 L320E235-L274 VanDerWaalsContact OE2-CD1 3.27Å; E235-L274 WeakPolarHBondContact OE2-CD1 3.49Å; L237-L274 HydrophobicContact CD1-CB 4.17Å; L237-L274 HydrophobicContact CD2-CB 3.78Å; L237-L274 HydrophobicContact CD2-CD1 3.83Å; L237-L274 HydrophobicContact CD2-CG 4.41Å; I246-L274 HydrophobicContact CD1-CD1 3.84Å; I246-L274 HydrophobicContact CD1-CD2 3.89Å; L270-L274 HydrophobicContact CG-CD1 4.32Å; L270-L274 PolarHBondContact O-N 3.18Å; D271-L274 PolarHBondContact O-N 2.02Å; N272-L274 PolarHBondContact O-N 2.97Å; L274-F276 PolarHBondContact O-N 3.48Å; L274-C277 VanDerWaalsContact O-CB 3.31Å; L274-C277 WeakPolarHBondContact O-CB 3.46Å; L274-C277 PolarHBondContact O-N 3.05Å; L274-R278 WeakPolarHBondContact O-CG 3.29Å; L274-R278 PolarHBondContact O-N 3.45Å; L274-V289 HydrophobicContact CD2-CG1 4.43Å; L274-V289 HydrophobicContact CD2-CG2 3.55Å; L274-V289 HydrophobicContact CG-CG2 4.18Å; L274-K318 HydrophobicContact CD2-CB 4.42Å; L274-L320 HydrophobicContact CD2-CD1 3.76Å; L274-L320 HydrophobicContact CD2-CD2 4.46Å; L274-L320 HydrophobicContact CD2-CG 4.22Å
275F73.5Confident69.5Low16 Ų1648 Ų487%0.0730%0.297CS..Hα-helixtrans-57.5-46.7174.8171.9-104.6000112.2I110 L146 Q239 T240 D271 N272 C277 R278 A279I110-F275 HydrophobicContact CD1-CD1 4.12Å; I110-F275 HydrophobicContact CD1-CE1 4.08Å; L146-F275 HydrophobicContact CD2-CZ 4.4Å; Q239-F275 HydrophobicContact CB-CB 4.48Å; Q239-F275 HydrophobicContact CB-CD2 3.34Å; Q239-F275 HydrophobicContact CB-CE2 3.73Å; Q239-F275 HydrophobicContact CB-CG 4.05Å; Q239-F275 HydrophobicContact CG-CD2 4.11Å; Q239-F275 HydrophobicContact CG-CG 4.35Å; T240-F275 HydrophobicContact CG2-CD2 3.99Å; T240-F275 HydrophobicContact CG2-CE2 4.24Å; D271-F275 PolarHBondContact O-N 3.22Å; N272-F275 PolarHBondContact O-N 3.47Å; F275-C277 VanDerWaalsContact C-N 3.27Å; F275-C277 PolarHBondContact O-N 3.48Å; F275-R278 PolarHBondContact O-N 2.81Å; F275-R278 VanDerWaalsContact O-N 3.08Å; F275-A279 HydrophobicContact CZ-CB 4.46Å; F275-A279 WeakPolarHBondContact O-CB 3.02Å; F275-A279 PolarHBondContact O-N 3.06Å
276F76.3Confident70.3Confident4 Ų444.6 Ų44.62%0.01828%0.275CS..Hα-helixtrans-59.9-39.5177.2-66.2-51.9000112.6I110 L149 M264 T267 N272 C273 L274 R278I110-F276 HydrophobicContact CG2-CE1 3.64Å; I110-F276 HydrophobicContact CG2-CE2 4Å; I110-F276 HydrophobicContact CG2-CZ 3.11Å; L149-F276 HydrophobicContact CD1-CD1 4.01Å; L149-F276 HydrophobicContact CD1-CE1 3.45Å; L149-F276 VanDerWaalsContact CD1-CE1 3.45Å; L149-F276 HydrophobicContact CD2-CE1 3.95Å; L149-F276 HydrophobicContact CG-CE1 4.33Å; M264-F276 HydrophobicContact CE-CB 4.17Å; M264-F276 HydrophobicContact CE-CD1 3.41Å; M264-F276 VanDerWaalsContact CE-CD1 3.41Å; M264-F276 HydrophobicContact CE-CD2 3.88Å; M264-F276 HydrophobicContact CE-CE1 3.61Å; M264-F276 HydrophobicContact CE-CE2 4.07Å; M264-F276 HydrophobicContact CE-CG 3.56Å; M264-F276 HydrophobicContact CE-CZ 3.91Å; M264-F276 HydrophobicContact SD-CD1 3.79Å; M264-F276 HydrophobicContact SD-CD2 3.54Å; M264-F276 VanDerWaalsContact SD-CD2 3.54Å; M264-F276 HydrophobicContact SD-CE1 3.43Å; M264-F276 WeakPolarHBondContact SD-CE1 3.38Å; M264-F276 HydrophobicContact SD-CE2 3.17Å; M264-F276 WeakPolarHBondContact SD-CE2 3.5Å; M264-F276 HydrophobicContact SD-CG 3.84Å; M264-F276 HydrophobicContact SD-CZ 3.07Å; M264-F276 WeakPolarHBondContact SD-CZ 3.39Å; T267-F276 HydrophobicContact CG2-CD2 4.23Å; T267-F276 HydrophobicContact CG2-CE2 3.79Å; N272-F276 HydrophobicContact CB-CE2 4.04Å; N272-F276 WeakPolarHBondContact O-CD2 3.29Å; N272-F276 WeakPolarHBondContact O-CE2 3.46Å; N272-F276 VanDerWaalsContact O-CG 3.27Å; N272-F276 WeakPolarHBondContact O-CG 3.31Å; N272-F276 PolarHBondContact O-N 2.97Å; C273-F276 PolarHBondContact O-N 2.96Å; L274-F276 PolarHBondContact O-N 3.48Å; F276-R278 VanDerWaalsContact C-N 3.34Å
277C83.3Confident71.7Confident6 Ų639.4 Ų39.44%0.04125%0.252CS..Hα-helixtrans-60.7-44.2174.3-176.50000111.4C273 L274 F275 C286 V289 T300C273-C277 PolarHBondContact O-N 3.26Å; C273-C277 VanDerWaalsContact O-N 3.15Å; L274-C277 VanDerWaalsContact O-CB 3.31Å; L274-C277 WeakPolarHBondContact O-CB 3.46Å; L274-C277 PolarHBondContact O-N 3.05Å; F275-C277 VanDerWaalsContact C-N 3.27Å; F275-C277 PolarHBondContact O-N 3.48Å; C277-C286 WeakPolarHBondContact CA-SG 3.47Å; C277-C286 HydrophobicContact CB-CB 3.91Å; C277-C286 WeakPolarHBondContact CB-SG 3.18Å; C277-C286 WeakPolarHBondContact O-CB 3.19Å; C277-C286 WeakPolarHBondContact SG-CB 3.47Å; C277-C286 CovalentContact SG-SG 2.02Å; C277-C286 PolarHBondContact SG-SG 3.26Å; C277-V289 HydrophobicContact CB-CG1 3.42Å; C277-V289 VanDerWaalsContact CB-CG1 3.42Å; C277-T300 HydrophobicContact CB-CG2 4.27Å
278R80Confident73.2Confident90 Ų9039.4 Ų39.434%0.3425%0.252SS..Hα-helixtrans-68.6-37.4179-66.6-58.9-63.5148.9-0113.9L237 T240 E242 L274 F275 F276 G280 L320L237-R278 HydrophobicContact CD1-CG 3.66Å; T240-R278 HydrophobicContact CG2-CB 4.03Å; E242-R278 VanDerWaalsContact CD-NH2 3.34Å; E242-R278 IonicContact OE1-CZ 3.27Å; E242-R278 IonicContact OE1-NE 3.05Å; E242-R278 IonicContact OE1-NH2 2.85Å; E242-R278 PolarHBondContact OE1-NH2 3.41Å; E242-R278 IonicContact OE2-CZ 2.72Å; E242-R278 IonicContact OE2-NE 2.62Å; E242-R278 PolarHBondContact OE2-NE 2.86Å; E242-R278 IonicContact OE2-NH2 3.03Å; E242-R278 PolarHBondContact OE2-NH2 3.13Å; L274-R278 WeakPolarHBondContact O-CG 3.29Å; L274-R278 PolarHBondContact O-N 3.45Å; F275-R278 PolarHBondContact O-N 2.81Å; F275-R278 VanDerWaalsContact O-N 3.08Å; F276-R278 VanDerWaalsContact C-N 3.34Å; R278-G280 PolarHBondContact O-N 3.14Å; R278-G280 VanDerWaalsContact O-N 3.13Å; R278-L320 HydrophobicContact CG-CD2 4.26Å
279A68.8Low74.8Confident35 Ų3537.2 Ų37.229%0.28924%0.24SC..Hα-helixtrans-67.4-10.2-176.600000114.6F275 W281F275-A279 HydrophobicContact CZ-CB 4.46Å; F275-A279 WeakPolarHBondContact O-CB 3.02Å; F275-A279 PolarHBondContact O-N 3.06Å; A279-W281 HydrophobicContact CB-CZ2 4.2Å; A279-W281 VanDerWaalsContact CB-NE1 3.31Å
280G61.5Low75.9Confident51 Ų5135.9 Ų35.953%0.52623%0.231SC..THydrogen-bonded Turntrans72.544.616100000116R278 T282R278-G280 PolarHBondContact O-N 3.14Å; R278-G280 VanDerWaalsContact O-N 3.13Å; G280-T282 PolarHBondContact O-N 2.85Å
281W54.9Low76.4Confident66 Ų6635.2 Ų35.225%0.2523%0.226CC..  trans-70.8-11-175.8-57.189.1000115.7L146 L149 L150 A279L146-W281 HydrophobicContact CB-CH2 4.45Å; L146-W281 HydrophobicContact CD2-CH2 3.85Å; L146-W281 HydrophobicContact CD2-CZ2 3.69Å; L146-W281 WeakPolarHBondContact O-CH2 3.34Å; L149-W281 VanDerWaalsContact C-CZ3 3.5Å; L149-W281 HydrophobicContact CB-CE3 4.2Å; L149-W281 HydrophobicContact CB-CH2 3.27Å; L149-W281 HydrophobicContact CB-CZ2 3.65Å; L149-W281 HydrophobicContact CB-CZ3 3.55Å; L149-W281 HydrophobicContact CD1-CH2 3.97Å; L149-W281 HydrophobicContact CD1-CZ2 3.58Å; L149-W281 HydrophobicContact CG-CH2 4.3Å; L149-W281 HydrophobicContact CG-CZ2 4.29Å; L150-W281 HydrophobicContact CD1-CZ3 4.4Å; A279-W281 HydrophobicContact CB-CZ2 4.2Å; A279-W281 VanDerWaalsContact CB-NE1 3.31Å
282T55.1Low77.2Confident44 Ų4433.8 Ų33.827%0.2722%0.216SC..SBendtrans-123.9149-175.8650000110.7G280 V284G280-T282 PolarHBondContact O-N 2.85Å; T282-V284 PolarHBondContact O-N 2.92Å; T282-V284 PolarHBondContact OG1-O 3.33Å
283G59.8Low77.9Confident91 Ų9137.5 Ų37.594%0.93824%0.235SC*.SBendtrans-61.2-7.817500000114.9
284V67.3Low77.9Confident68 Ų6842.2 Ų42.241%0.41227%0.268SS..SBendtrans-100.9124.9171.2-176.90000109T261 T282 C286T261-V284 HydrophobicContact CG2-CB 3.98Å; T261-V284 HydrophobicContact CG2-CG1 4.02Å; T282-V284 PolarHBondContact O-N 2.92Å; T282-V284 PolarHBondContact OG1-O 3.33Å; V284-C286 PolarHBondContact O-N 3.5Å
285P80Confident77.7Confident108 Ų10845.1 Ų45.170%0.70129%0.288SS*.PPolyproline II helixtrans-57.9130174.7-23.432.9000111.2
286C86.6Confident77.8Confident24 Ų2451.3 Ų51.316%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-72.6134175.3-1740000110.4C277 V284 A288C277-C286 WeakPolarHBondContact CA-SG 3.47Å; C277-C286 HydrophobicContact CB-CB 3.91Å; C277-C286 WeakPolarHBondContact CB-SG 3.18Å; C277-C286 WeakPolarHBondContact O-CB 3.19Å; C277-C286 WeakPolarHBondContact SG-CB 3.47Å; C277-C286 CovalentContact SG-SG 2.02Å; C277-C286 PolarHBondContact SG-SG 3.26Å; V284-C286 PolarHBondContact O-N 3.5Å; C286-A288 PolarHBondContact SG-O 3.15Å
287A91.5Very high78Confident10 Ų1051.7 Ų51.78%0.08331%0.314CS..EExtended strand (participates in β ladder)trans-123.9-18.5-176.400000113F258 Y301 R303 L320F258-A287 HydrophobicContact CE1-CB 4.03Å; A287-Y301 PolarHBondContact N-O 2.79Å; A287-R303 HydrophobicContact CB-CG 3.64Å; A287-L320 PolarHBondContact O-N 3.39Å
288A93.4Very high78.1Confident0 Ų051.4 Ų51.40%031%0.312CS..EExtended strand (participates in β ladder)trans-155.2162.1176.100000111.8F258 C286 Y301 F317 K318 E319F258-A288 HydrophobicContact CD1-CB 3.72Å; F258-A288 HydrophobicContact CE1-CB 3.5Å; F258-A288 VanDerWaalsContact CE1-CB 3.5Å; F258-A288 HydrophobicContact CZ-CB 4.14Å; C286-A288 PolarHBondContact SG-O 3.15Å; A288-Y301 PolarHBondContact N-O 2.84Å; A288-Y301 VanDerWaalsContact N-O 3.14Å; A288-Y301 PolarHBondContact O-N 2.77Å; A288-F317 HydrophobicContact CB-CE1 3.6Å; A288-F317 HydrophobicContact CB-CE2 4.46Å; A288-F317 HydrophobicContact CB-CZ 3.51Å; A288-K318 CarbonylContact C-O 3.48Å; A288-K318 VanDerWaalsContact CA-O 3.28Å; A288-K318 WeakPolarHBondContact CA-O 3Å; A288-K318 WeakPolarHBondContact CB-O 3.38Å; A288-E319 HydrophobicContact CB-CB 4.44Å
289V92.2Very high78.6Confident0 Ų047.5 Ų47.50%030%0.298CS..EExtended strand (participates in β ladder)trans-129.6147.8175.7-61.60000111.4L270 C273 L274 C277 N299 F317 K318 L320L270-V289 HydrophobicContact CD1-CG2 4.22Å; C273-V289 VanDerWaalsContact SG-CB 3.59Å; L274-V289 HydrophobicContact CD2-CG1 4.43Å; L274-V289 HydrophobicContact CD2-CG2 3.55Å; L274-V289 HydrophobicContact CG-CG2 4.18Å; C277-V289 HydrophobicContact CB-CG1 3.42Å; C277-V289 VanDerWaalsContact CB-CG1 3.42Å; V289-N299 CarbonylContact C-O 3.01Å; V289-N299 WeakPolarHBondContact CA-O 3.42Å; V289-F317 WeakPolarHBondContact O-CA 3.4Å; V289-K318 HydrophobicContact CG2-CB 3.93Å; V289-K318 PolarHBondContact N-O 3.27Å; V289-K318 PolarHBondContact O-N 2.86Å; V289-L320 HydrophobicContact CG1-CD1 4.37Å
290M93Very high79.6Confident6 Ų646.5 Ų46.53%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-124.1112.3167.8-172.2174.966.500109.8N299 Y301 P312 A315 V316 F317M290-N299 HydrophobicContact CB-CB 4.23Å; M290-N299 HydrophobicContact CE-CB 4.37Å; M290-N299 PolarHBondContact N-O 2.97Å; M290-N299 PolarHBondContact O-N 2.89Å; M290-Y301 HydrophobicContact CB-CE2 3.64Å; M290-Y301 WeakPolarHBondContact CE-OH 3.39Å; M290-P312 VanDerWaalsContact SD-CD 3.51Å; M290-P312 HydrophobicContact SD-CG 4.39Å; M290-A315 HydrophobicContact CG-CB 4Å; M290-A315 HydrophobicContact SD-CB 4.39Å; M290-V316 CarbonylContact C-O 3.42Å; M290-V316 VanDerWaalsContact CA-O 3.27Å; M290-V316 WeakPolarHBondContact CA-O 3.07Å; M290-F317 HydrophobicContact CB-CD2 3.83Å; M290-F317 HydrophobicContact CB-CE2 4.39Å; M290-F317 HydrophobicContact CG-CD2 4.16Å; M290-F317 HydrophobicContact SD-CD2 4.35Å
291Y90Very high81.1Confident20 Ų2044.7 Ų44.78%0.07827%0.266CS..EExtended strand (participates in β ladder)trans-95.5116.9176.6-174.7-109.8000110.3T267 N268 L270 C273 L293 A315 V316T267-Y291 HydrophobicContact CG2-CD2 4.47Å; T267-Y291 HydrophobicContact CG2-CE2 4.12Å; T267-Y291 WeakPolarHBondContact O-CE2 3.5Å; T267-Y291 PolarHBondContact O-OH 3.32Å; N268-Y291 PolarHBondContact O-OH 3.48Å; L270-Y291 HydrophobicContact CB-CD1 4.49Å; L270-Y291 HydrophobicContact CB-CG 4.48Å; L270-Y291 HydrophobicContact CD1-CG 4.43Å; C273-Y291 HydrophobicContact CB-CD2 4.21Å; Y291-L293 HydrophobicContact CD1-CD1 4.05Å; Y291-L293 HydrophobicContact CD1-CG 4.37Å; Y291-L293 HydrophobicContact CE1-CD1 4.47Å; Y291-L293 HydrophobicContact CE1-CG 4.3Å; Y291-A315 CarbonylContact O-C 3.56Å; Y291-A315 WeakPolarHBondContact O-CA 3.48Å; Y291-A315 WeakPolarHBondContact O-CB 3.44Å; Y291-V316 PolarHBondContact N-O 2.83Å; Y291-V316 PolarHBondContact O-N 2.76Å
292K86.5Confident82.7Confident56 Ų5641.5 Ų41.524%0.24325%0.254CS..EExtended strand (participates in β ladder)trans-92.1112.3177.2-62.4178.8-168.8158.30109.5S294 S295 R296 S297 A315K292-S294 VanDerWaalsContact C-N 3.29Å; K292-S294 PolarHBondContact O-N 2.85Å; K292-S295 VanDerWaalsContact CB-OG 3.26Å; K292-S295 WeakPolarHBondContact CB-OG 3.31Å; K292-R296 WeakPolarHBondContact O-CA 3.3Å; K292-R296 PolarHBondContact O-N 3.1Å; K292-S297 PolarHBondContact N-O 3.26Å; K292-S297 PolarHBondContact O-N 3.01Å; K292-A315 HydrophobicContact CG-CB 4.17Å
293L82.1Confident84.4Confident93 Ų9347.3 Ų47.349%0.48727%0.271SS..THydrogen-bonded Turntrans-65-35-177.6-76.474.1000111.9Y291 R314 V316Y291-L293 HydrophobicContact CD1-CD1 4.05Å; Y291-L293 HydrophobicContact CD1-CG 4.37Å; Y291-L293 HydrophobicContact CE1-CD1 4.47Å; Y291-L293 HydrophobicContact CE1-CG 4.3Å; L293-R314 WeakPolarHBondContact CB-O 3.35Å; L293-R314 WeakPolarHBondContact CD1-O 3.45Å; L293-R314 PolarHBondContact N-O 2.79Å; L293-V316 HydrophobicContact CD1-CG2 3.84Å
294S76.9Confident85.7Confident98 Ų9845.9 Ų45.969%0.68524%0.242SC*.THydrogen-bonded Turntrans-71-39.3-176.653.50000113.6K292K292-S294 VanDerWaalsContact C-N 3.29Å; K292-S294 PolarHBondContact O-N 2.85Å
295S78.7Confident86.5Confident61 Ų6151.5 Ų51.543%0.42726%0.263SS..THydrogen-bonded Turntrans-100.8-3.1-178.453.20000113.6K292 S297K292-S295 VanDerWaalsContact CB-OG 3.26Å; K292-S295 WeakPolarHBondContact CB-OG 3.31Å; S295-S297 PolarHBondContact O-N 3.47Å; S295-S297 PolarHBondContact OG-OG 3.45Å
296R75.6Confident86.8Confident146 Ų14652.5 Ų52.555%0.55127%0.268SS*.THydrogen-bonded Turntrans45.551.5-172-66.6-174177.9-173.5-0.1110.9E266 T267 K292E266-R296 CarbonylContact C-O 3.56Å; E266-R296 VanDerWaalsContact C-O 3.28Å; E266-R296 VanDerWaalsContact CA-O 3.25Å; E266-R296 WeakPolarHBondContact CA-O 3.11Å; E266-R296 PolarHBondContact N-O 2.69Å; E266-R296 VanDerWaalsContact N-O 3.1Å; T267-R296 PolarHBondContact N-O 3.27Å; T267-R296 CarbonylContact O-C 3.52Å; T267-R296 VanDerWaalsContact O-C 3.29Å; T267-R296 WeakPolarHBondContact O-CB 3.4Å; T267-R296 VanDerWaalsContact O-O 3.07Å; K292-R296 WeakPolarHBondContact O-CA 3.3Å; K292-R296 PolarHBondContact O-N 3.1Å
297S81.1Confident86.9Confident12 Ų1252.3 Ų52.38%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-125.7141.5-176.764.80000109.9M264 K292 S295M264-S297 CarbonylContact O-C 3.53Å; M264-S297 WeakPolarHBondContact O-CA 3.38Å; M264-S297 WeakPolarHBondContact O-CB 3.24Å; K292-S297 PolarHBondContact N-O 3.26Å; K292-S297 PolarHBondContact O-N 3.01Å; S295-S297 PolarHBondContact O-N 3.47Å; S295-S297 PolarHBondContact OG-OG 3.45Å
298C85.3Confident86.8Confident0 Ų057.2 Ų57.20%029%0.289CS..EExtended strand (participates in β ladder)trans-104.6129.7177.1178.40000110.5T263 M264 T267 C273T263-C298 CarbonylContact C-O 3.57Å; T263-C298 WeakPolarHBondContact CA-O 3.49Å; M264-C298 HydrophobicContact CB-CB 4.34Å; M264-C298 PolarHBondContact N-O 3.11Å; M264-C298 PolarHBondContact O-N 2.84Å; T267-C298 HydrophobicContact CG2-CB 3.85Å; T267-C298 WeakPolarHBondContact OG1-CB 3.38Å; T267-C298 PolarHBondContact OG1-N 3.18Å; C273-C298 WeakPolarHBondContact CA-SG 2.96Å; C273-C298 HydrophobicContact CB-CB 3.68Å; C273-C298 WeakPolarHBondContact CB-SG 3.47Å; C273-C298 VanDerWaalsContact SG-CA 3.57Å; C273-C298 WeakPolarHBondContact SG-CB 3.23Å; C273-C298 CovalentContact SG-SG 2.02Å; C273-C298 PolarHBondContact SG-SG 2.85Å
299N90.9Very high86.6Confident9 Ų957.8 Ų57.85%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-109.1130.4167.2-7416.8000108.5L260 S262 T263 V289 M290 Y301L260-N299 HydrophobicContact CD1-CB 3.63Å; S262-N299 WeakPolarHBondContact O-CA 3.13Å; T263-N299 WeakPolarHBondContact CG2-OD1 3.32Å; T263-N299 PolarHBondContact OG1-OD1 2.79Å; V289-N299 CarbonylContact C-O 3.01Å; V289-N299 WeakPolarHBondContact CA-O 3.42Å; M290-N299 HydrophobicContact CB-CB 4.23Å; M290-N299 HydrophobicContact CE-CB 4.37Å; M290-N299 PolarHBondContact N-O 2.97Å; M290-N299 PolarHBondContact O-N 2.89Å; N299-Y301 HydrophobicContact CB-CD2 4.45Å; N299-Y301 HydrophobicContact CB-CE2 3.5Å; N299-Y301 PolarHBondContact ND2-OH 2.78Å
300T89.6Confident86.5Confident14 Ų1462.7 Ų62.79%0.08632%0.323CS..EExtended strand (participates in β ladder)trans-100.6147.3173.160.80000110.1T261 S262 C277T261-T300 PolarHBondContact N-O 2.89Å; T261-T300 VanDerWaalsContact OG1-C 3.32Å; T261-T300 PolarHBondContact OG1-O 2.72Å; T261-T300 VanDerWaalsContact OG1-O 3.1Å; T261-T300 PolarHBondContact OG1-OG1 3.15Å; S262-T300 VanDerWaalsContact CB-OG1 3.31Å; S262-T300 WeakPolarHBondContact CB-OG1 3.15Å; S262-T300 PolarHBondContact N-OG1 3.33Å; S262-T300 VanDerWaalsContact N-OG1 3.15Å; S262-T300 PolarHBondContact O-N 3.17Å; S262-T300 PolarHBondContact O-OG1 3.19Å; C277-T300 HydrophobicContact CB-CG2 4.27Å
301Y92.1Very high86.3Confident12 Ų1263.2 Ų63.25%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-131138.7-176.8-65.7-96000111.3F258 V259 L260 A287 A288 M290 N299 V309 F317F258-Y301 HydrophobicContact CB-CD1 4.08Å; F258-Y301 HydrophobicContact CB-CG 4.35Å; V259-Y301 VanDerWaalsContact C-CD1 3.49Å; V259-Y301 CarbonylContact O-C 3.55Å; V259-Y301 WeakPolarHBondContact O-CA 3.48Å; L260-Y301 HydrophobicContact CB-CD1 4.32Å; L260-Y301 HydrophobicContact CB-CE1 3.96Å; L260-Y301 HydrophobicContact CD1-CE1 4.03Å; L260-Y301 HydrophobicContact CD1-CE2 4.29Å; A287-Y301 PolarHBondContact N-O 2.79Å; A288-Y301 PolarHBondContact N-O 2.84Å; A288-Y301 VanDerWaalsContact N-O 3.14Å; A288-Y301 PolarHBondContact O-N 2.77Å; M290-Y301 HydrophobicContact CB-CE2 3.64Å; M290-Y301 WeakPolarHBondContact CE-OH 3.39Å; N299-Y301 HydrophobicContact CB-CD2 4.45Å; N299-Y301 HydrophobicContact CB-CE2 3.5Å; N299-Y301 PolarHBondContact ND2-OH 2.78Å; Y301-V309 HydrophobicContact CD1-CG2 3.67Å; Y301-V309 HydrophobicContact CE1-CB 4.23Å; Y301-V309 HydrophobicContact CE1-CG1 3.71Å; Y301-V309 HydrophobicContact CE1-CG2 3.42Å; Y301-V309 VanDerWaalsContact CE1-CG2 3.42Å; Y301-F317 HydrophobicContact CD2-CE2 4.06Å; Y301-F317 HydrophobicContact CE2-CE2 4.14Å; Y301-F317 HydrophobicContact CG-CE2 4.45Å
302G89.7Confident86.2Confident0 Ų064.7 Ų64.70%034%0.339CS..EExtended strand (participates in β ladder)trans-100.7166.7168.100000110.8F258 V259 T261F258-G302 WeakPolarHBondContact CA-O 3.36Å; V259-G302 PolarHBondContact N-O 2.79Å; V259-G302 PolarHBondContact O-N 2.02Å; T261-G302 VanDerWaalsContact CG2-N 3.31Å
303R90Very high86Confident165 Ų16571.5 Ų71.562%0.62337%0.368SS*.EExtended strand (participates in β ladder)trans-73.4131.2177.1-68.4-166.5168.8-165.9-6.3111.6G257 A287 E319G257-R303 WeakPolarHBondContact O-CA 3.38Å; A287-R303 HydrophobicContact CB-CG 3.64Å; R303-E319 IonicContact NH2-OE1 3.68Å; R303-E319 PolarHBondContact NH2-OE1 2.01Å
304N87.9Confident86.1Confident61 Ų6176.7 Ų76.733%0.32638%0.381SS..EExtended strand (participates in β ladder)trans-155.6110.3171.3-176.1-34.3000110.5G257 F258 V259 T306 A307G257-N304 CarbonylContact C-O 3.37Å; G257-N304 WeakPolarHBondContact CA-O 3.46Å; G257-N304 PolarHBondContact O-N 3.13Å; F258-N304 PolarHBondContact N-O 3.13Å; V259-N304 HydrophobicContact CB-CB 3.75Å; V259-N304 HydrophobicContact CG1-CB 3.65Å; N304-T306 PolarHBondContact O-N 2.86Å; N304-T306 PolarHBondContact OD1-N 2.82Å; N304-T306 PolarHBondContact OD1-OG1 2.89Å; N304-A307 HydrophobicContact CB-CB 4.01Å; N304-A307 PolarHBondContact O-N 3.16Å; N304-A307 VanDerWaalsContact O-N 3.15Å
305E84.1Confident86.6Confident186 Ų18672.2 Ų72.287%0.86935%0.35SS*.EExtended strand (participates in β ladder)trans-59.5-23-172.9-62.4-179.2175.200114.9
306T85.3Confident87.2Confident129 Ų12970.9 Ų70.979%0.79134%0.339SS*.EExtended strand (participates in β ladder)trans-97.4-11.5-176.261.30000113.7N304N304-T306 PolarHBondContact O-N 2.86Å; N304-T306 PolarHBondContact OD1-N 2.82Å; N304-T306 PolarHBondContact OD1-OG1 2.89Å
307A89.3Confident88Confident21 Ų2163.9 Ų63.917%0.17431%0.313CS..EExtended strand (participates in β ladder)trans-90.6148.4-175.700000111.6K256 G257 F258 V259 N304K256-A307 CarbonylContact C-O 3.59Å; G257-A307 PolarHBondContact N-O 2.84Å; F258-A307 WeakPolarHBondContact O-CB 3.02Å; V259-A307 HydrophobicContact CB-CB 4.1Å; N304-A307 HydrophobicContact CB-CB 4.01Å; N304-A307 PolarHBondContact O-N 3.16Å; N304-A307 VanDerWaalsContact O-N 3.15Å
308E88.8Confident88.5Confident112 Ų11264.2 Ų64.252%0.52331%0.313SS..EExtended strand (participates in β ladder)trans-127.8140.9176.3-56.2-171.1161.200109.5T254 I255 K256T254-E308 HydrophobicContact CG2-CB 4.14Å; I255-E308 CarbonylContact O-C 3.48Å; I255-E308 WeakPolarHBondContact O-CA 3.22Å; K256-E308 HydrophobicContact CB-CG 4.47Å; K256-E308 HydrophobicContact CD-CG 4.41Å; K256-E308 WeakPolarHBondContact CD-OE1 3.13Å; K256-E308 WeakPolarHBondContact CE-OE1 3.39Å; K256-E308 HydrophobicContact CG-CG 4.01Å; K256-E308 IonicContact NZ-OE1 2.74Å; K256-E308 PolarHBondContact NZ-OE1 3.18Å
309V89.9Confident88.9Confident12 Ų1265.3 Ų65.37%0.07332%0.318CS..EExtended strand (participates in β ladder)trans-118.4131-180-1770000108.4T254 I255 F258 Y301 F317T254-V309 CarbonylContact C-O 3.58Å; T254-V309 WeakPolarHBondContact CA-O 3.49Å; I255-V309 PolarHBondContact N-O 3.35Å; I255-V309 PolarHBondContact O-N 3.28Å; F258-V309 HydrophobicContact CB-CG2 3.8Å; F258-V309 VanDerWaalsContact O-CG2 3.3Å; F258-V309 WeakPolarHBondContact O-CG2 3.02Å; Y301-V309 HydrophobicContact CD1-CG2 3.67Å; Y301-V309 HydrophobicContact CE1-CB 4.23Å; Y301-V309 HydrophobicContact CE1-CG1 3.71Å; Y301-V309 HydrophobicContact CE1-CG2 3.42Å; Y301-V309 VanDerWaalsContact CE1-CG2 3.42Å; V309-F317 HydrophobicContact CG1-CE2 4.22Å
310T90.1Very high88.8Confident104 Ų10465.6 Ų65.664%0.63832%0.319SS*.EExtended strand (participates in β ladder)trans-94.1123.6172.1-57.20000109.2K253 P312K253-T310 WeakPolarHBondContact O-CA 3.49Å; T310-P312 WeakPolarHBondContact O-CD 3.37Å
311V88.8Confident88.7Confident16 Ų1668.6 Ų68.610%0.09733%0.334CS..  trans-85.1112.4176.6-174.40000108.4E252 K253 I255 A315 F317E252-V311 WeakPolarHBondContact O-CB 3.28Å; E252-V311 WeakPolarHBondContact O-CG2 3.45Å; K253-V311 PolarHBondContact O-N 3.34Å; K253-V311 VanDerWaalsContact O-N 3.13Å; I255-V311 HydrophobicContact CD1-CG2 3.56Å; I255-V311 HydrophobicContact CG1-CG2 4.06Å; V311-A315 HydrophobicContact CG1-CB 4.34Å; V311-F317 HydrophobicContact CG1-CB 4.41Å; V311-F317 HydrophobicContact CG2-CB 4.06Å; V311-F317 HydrophobicContact CG2-CD2 4.21Å; V311-F317 HydrophobicContact CG2-CG 4.32Å
312P88.1Confident88.3Confident52 Ų5269.7 Ų69.734%0.33835%0.349SS..  trans-71.2157.2179.230-31.8000110.5M290 T310 R314 A315M290-P312 VanDerWaalsContact SD-CD 3.51Å; M290-P312 HydrophobicContact SD-CG 4.39Å; T310-P312 WeakPolarHBondContact O-CD 3.37Å; P312-R314 PolarHBondContact O-N 2.89Å; P312-A315 HydrophobicContact CG-CB 3.72Å; P312-A315 PolarHBondContact O-N 2.91Å
313K81Confident87.8Confident199 Ų19971 Ų7187%0.86536%0.358SS*.THydrogen-bonded Turntrans-56139.2170.2-68-173.3176.4-174.30109.8A315K313-A315 VanDerWaalsContact C-N 3.33Å
314R84.3Confident87Confident201 Ų20167.6 Ų67.676%0.75836%0.356SS*.THydrogen-bonded Turntrans63.535-177.4-44.8178.2100.9166.36.7113.4L293 P312L293-R314 WeakPolarHBondContact CB-O 3.35Å; L293-R314 WeakPolarHBondContact CD1-O 3.45Å; L293-R314 PolarHBondContact N-O 2.79Å; P312-R314 PolarHBondContact O-N 2.89Å
315A88Confident85.7Confident5 Ų570.7 Ų70.74%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-118.8155.4160.800000109.4T250 M290 Y291 K292 V311 P312 K313T250-A315 VanDerWaalsContact CG2-O 3.22Å; T250-A315 WeakPolarHBondContact CG2-O 3.23Å; M290-A315 HydrophobicContact CG-CB 4Å; M290-A315 HydrophobicContact SD-CB 4.39Å; Y291-A315 CarbonylContact O-C 3.56Å; Y291-A315 WeakPolarHBondContact O-CA 3.48Å; Y291-A315 WeakPolarHBondContact O-CB 3.44Å; K292-A315 HydrophobicContact CG-CB 4.17Å; V311-A315 HydrophobicContact CG1-CB 4.34Å; P312-A315 HydrophobicContact CG-CB 3.72Å; P312-A315 PolarHBondContact O-N 2.91Å; K313-A315 VanDerWaalsContact C-N 3.33Å
316V90.7Very high84.4Confident32 Ų3262.6 Ų62.619%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-112132.8173170.50000107.2T250 L270 M290 Y291 L293 K318T250-V316 HydrophobicContact CG2-CG2 4.4Å; T250-V316 WeakPolarHBondContact OG1-CA 3.37Å; L270-V316 HydrophobicContact CD1-CG1 4.25Å; L270-V316 HydrophobicContact CD2-CG1 3.97Å; M290-V316 CarbonylContact C-O 3.42Å; M290-V316 VanDerWaalsContact CA-O 3.27Å; M290-V316 WeakPolarHBondContact CA-O 3.07Å; Y291-V316 PolarHBondContact N-O 2.83Å; Y291-V316 PolarHBondContact O-N 2.76Å; L293-V316 HydrophobicContact CD1-CG2 3.84Å; V316-K318 HydrophobicContact CG1-CD 4.1Å; V316-K318 HydrophobicContact CG1-CG 3.94Å
317F92.9Very high82.5Confident0 Ų066.7 Ų66.70%034%0.338CS..EExtended strand (participates in β ladder)trans-118.3118.8176.5-168.2-76.4000109.4R249 T250 I255 F258 A288 V289 M290 Y301 V309 V311R249-F317 HydrophobicContact CB-CD1 4.08Å; R249-F317 PolarHBondContact N-O 2.82Å; T250-F317 PolarHBondContact OG1-N 2.93Å; T250-F317 PolarHBondContact OG1-O 3.44Å; I255-F317 HydrophobicContact CD1-CB 4.01Å; I255-F317 HydrophobicContact CD1-CD1 3.34Å; I255-F317 HydrophobicContact CD1-CD2 3.88Å; I255-F317 HydrophobicContact CD1-CE1 3.66Å; I255-F317 HydrophobicContact CD1-CE2 4.17Å; I255-F317 HydrophobicContact CD1-CG 3.45Å; I255-F317 VanDerWaalsContact CD1-CG 3.45Å; I255-F317 HydrophobicContact CD1-CZ 4.06Å; I255-F317 HydrophobicContact CG2-CE1 4.31Å; I255-F317 HydrophobicContact CG2-CZ 4.41Å; F258-F317 HydrophobicContact CD1-CZ 4.49Å; F258-F317 HydrophobicContact CD2-CE1 4.49Å; F258-F317 HydrophobicContact CD2-CZ 4.09Å; F258-F317 HydrophobicContact CE2-CE1 4.4Å; F258-F317 HydrophobicContact CE2-CZ 4.42Å; F258-F317 HydrophobicContact CG-CZ 4.11Å; A288-F317 HydrophobicContact CB-CE1 3.6Å; A288-F317 HydrophobicContact CB-CE2 4.46Å; A288-F317 HydrophobicContact CB-CZ 3.51Å; V289-F317 WeakPolarHBondContact O-CA 3.4Å; M290-F317 HydrophobicContact CB-CD2 3.83Å; M290-F317 HydrophobicContact CB-CE2 4.39Å; M290-F317 HydrophobicContact CG-CD2 4.16Å; M290-F317 HydrophobicContact SD-CD2 4.35Å; Y301-F317 HydrophobicContact CD2-CE2 4.06Å; Y301-F317 HydrophobicContact CE2-CE2 4.14Å; Y301-F317 HydrophobicContact CG-CE2 4.45Å; V309-F317 HydrophobicContact CG1-CE2 4.22Å; V311-F317 HydrophobicContact CG1-CB 4.41Å; V311-F317 HydrophobicContact CG2-CB 4.06Å; V311-F317 HydrophobicContact CG2-CD2 4.21Å; V311-F317 HydrophobicContact CG2-CG 4.32Å
318K91.6Very high80.1Confident19 Ų1972.9 Ų72.98%0.08337%0.367CS..EExtended strand (participates in β ladder)trans-119.7125.1179.9-63.3-60.2-156.9165.30109.4E235 I246 D248 L270 L274 A288 V289 V316E235-K318 IonicContact OE1-NZ 2.86Å; E235-K318 PolarHBondContact OE1-NZ 3.47Å; I246-K318 HydrophobicContact CG2-CB 3.74Å; I246-K318 HydrophobicContact CG2-CD 3.74Å; I246-K318 HydrophobicContact CG2-CG 4.08Å; D248-K318 HydrophobicContact CB-CD 4.07Å; D248-K318 WeakPolarHBondContact OD2-CE 3.48Å; D248-K318 IonicContact OD2-NZ 3.82Å; D248-K318 PolarHBondContact OD2-NZ 2.78Å; L270-K318 HydrophobicContact CD1-CG 4.17Å; L270-K318 HydrophobicContact CD2-CG 4.13Å; L274-K318 HydrophobicContact CD2-CB 4.42Å; A288-K318 CarbonylContact C-O 3.48Å; A288-K318 VanDerWaalsContact CA-O 3.28Å; A288-K318 WeakPolarHBondContact CA-O 3Å; A288-K318 WeakPolarHBondContact CB-O 3.38Å; V289-K318 HydrophobicContact CG2-CB 3.93Å; V289-K318 PolarHBondContact N-O 3.27Å; V289-K318 PolarHBondContact O-N 2.86Å; V316-K318 HydrophobicContact CG1-CD 4.1Å; V316-K318 HydrophobicContact CG1-CG 3.94Å
319E93.1Very high77.8Confident23 Ų2376 Ų7611%0.10738%0.382CS..EExtended strand (participates in β ladder)trans-92.3131.3170.9175.1175-176.600109.8I246 S247 F258 A288 R303 L321I246-E319 VanDerWaalsContact CA-O 3.28Å; I246-E319 WeakPolarHBondContact CA-O 3.43Å; S247-E319 PolarHBondContact N-O 3.25Å; S247-E319 PolarHBondContact O-N 3.31Å; F258-E319 HydrophobicContact CE1-CG 4.46Å; F258-E319 HydrophobicContact CZ-CB 4.41Å; F258-E319 HydrophobicContact CZ-CG 3.92Å; A288-E319 HydrophobicContact CB-CB 4.44Å; R303-E319 IonicContact NH2-OE1 3.68Å; R303-E319 PolarHBondContact NH2-OE1 2.01Å; E319-L321 HydrophobicContact CG-CD2 3.92Å
320L89.9Confident75.5Confident14 Ų1477.2 Ų77.27%0.07339%0.393CS..EExtended strand (participates in β ladder)trans-90.9110.5173.5-68.780.8000108.6L274 R278 A287 V289L274-L320 HydrophobicContact CD2-CD1 3.76Å; L274-L320 HydrophobicContact CD2-CD2 4.46Å; L274-L320 HydrophobicContact CD2-CG 4.22Å; R278-L320 HydrophobicContact CG-CD2 4.26Å; A287-L320 PolarHBondContact O-N 3.39Å; V289-L320 HydrophobicContact CG1-CD1 4.37Å
321L87.2Confident73.4Confident77 Ų7773.5 Ų73.540%0.40337%0.37SS..EExtended strand (participates in β ladder)trans-83-28.8179.9-59.5177.9000112.2V232 N245 E319V232-L321 HydrophobicContact CB-CD1 4.32Å; V232-L321 HydrophobicContact CG1-CD1 3.82Å; V232-L321 HydrophobicContact CG2-CD1 3.5Å; V232-L321 VanDerWaalsContact CG2-CD1 3.5Å; N245-L321 HydrophobicContact CB-CB 4.07Å; N245-L321 WeakPolarHBondContact O-CB 3.44Å; N245-L321 PolarHBondContact O-N 3.47Å; E319-L321 HydrophobicContact CG-CD2 3.92Å
322G83.8Confident71.6Confident35 Ų3573.1 Ų73.136%0.36137%0.368SS..EExtended strand (participates in β ladder)trans168.5152.2177.800000110.9C244 N245C244-G322 CarbonylContact C-O 3.47Å; C244-G322 WeakPolarHBondContact CA-O 3.26Å; N245-G322 PolarHBondContact N-O 2.98Å
323C78.7Confident70.1Confident27 Ų2774.2 Ų74.218%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-127143.4179-620000109.7E242 Y243 C244E242-C323 HydrophobicContact CB-CB 4.08Å; E242-C323 HydrophobicContact CG-CB 4.38Å; Y243-C323 CarbonylContact O-C 3.54Å; Y243-C323 WeakPolarHBondContact O-CA 3.12Å; C244-C323 HydrophobicContact CB-CB 4.16Å; C244-C323 WeakPolarHBondContact CB-SG 3.36Å; C244-C323 WeakPolarHBondContact SG-CB 3.42Å; C244-C323 CovalentContact SG-SG 2.04Å; C244-C323 PolarHBondContact SG-SG 3.32Å
324T72.8Confident69.1Low94 Ų9467.5 Ų67.558%0.57735%0.346SS*.EExtended strand (participates in β ladder)trans-131.4134.9179.454.10000109.5E242 Y243 A326E242-T324 CarbonylContact C-O 3.59Å; E242-T324 VanDerWaalsContact CA-O 3.26Å; E242-T324 WeakPolarHBondContact CA-O 3.42Å; Y243-T324 PolarHBondContact N-O 3.06Å; Y243-T324 PolarHBondContact O-N 3.15Å; Y243-T324 PolarHBondContact O-OG1 3.13Å; T324-A326 PolarHBondContact O-N 3.03Å
325N61.8Low67.9Low126 Ų12659 Ų5967%0.67432%0.321SS*.EExtended strand (participates in β ladder)trans-59.8133.6177.3-65-4.3000110.1
326A55.5Low67.4Low16 Ų1662.1 Ų62.113%0.13234%0.336CS..PPolyproline II helixtrans-63.6136.917400000110.1Y236 R241 Y243 T324 V331Y236-A326 HydrophobicContact CE2-CB 4.02Å; R241-A326 WeakPolarHBondContact O-CB 2.98Å; R241-A326 PolarHBondContact O-N 2.88Å; Y243-A326 HydrophobicContact CD2-CB 3.89Å; Y243-A326 HydrophobicContact CE2-CB 3.62Å; T324-A326 PolarHBondContact O-N 3.03Å; A326-V331 HydrophobicContact CB-CG2 4.28Å
327R45.4Very low66.8Low215 Ų21564.5 Ų64.581%0.81134%0.344SS*.PPolyproline II helixtrans-68.6135.1171.5-68.6-176.8179.21731.6108.9E329 A330R327-E329 PolarHBondContact O-N 2.99Å; R327-A330 PolarHBondContact O-N 3.44Å
328I40.4Very low66.6Low152 Ų15266.3 Ų66.378%0.77935%0.351SS*.G310 helixtrans-48-35.4-173.7-61.3170.7000113A330 V331I328-A330 PolarHBondContact O-N 3.27Å; I328-A330 VanDerWaalsContact O-N 3.16Å; I328-V331 PolarHBondContact O-N 2.92Å; I328-V331 VanDerWaalsContact O-N 3.12Å
329E39.3Very low66.5Low177 Ų17768 Ų6883%0.82736%0.358SS*.G310 helixtrans-64.8-17.5-178.7-62.2176.8176.100114.4R327R327-E329 PolarHBondContact O-N 2.99Å
330A42.9Very low66.5Low37 Ų3766.9 Ų66.931%0.30635%0.353SS..G310 helixtrans-105.2-1.2177.300000113.3R327 I328R327-A330 PolarHBondContact O-N 3.44Å; I328-A330 PolarHBondContact O-N 3.27Å; I328-A330 VanDerWaalsContact O-N 3.16Å
331V45.3Very low66.5Low26 Ų2669.7 Ų69.716%0.15837%0.371CS..SBendtrans-78.1127.1-178.1-176.80000108.7A326 I328 I333A326-V331 HydrophobicContact CB-CG2 4.28Å; I328-V331 PolarHBondContact O-N 2.92Å; I328-V331 VanDerWaalsContact O-N 3.12Å; V331-I333 PolarHBondContact O-N 2.83Å
332P50.7Low66.7Low9 Ų970.9 Ų70.96%0.05838%0.382CS..  trans-57136.9174.5-21.633.2000110.6T334 E350 V351 H352P332-T334 HydrophobicContact CB-CG2 4.36Å; P332-T334 PolarHBondContact O-N 2.73Å; P332-E350 HydrophobicContact CB-CG 3.55Å; P332-E350 WeakPolarHBondContact CB-OE1 3.43Å; P332-E350 WeakPolarHBondContact CG-OE1 3.39Å; P332-V351 CarbonylContact C-O 3.54Å; P332-V351 WeakPolarHBondContact CA-O 3.08Å; P332-H352 WeakPolarHBondContact CG-CE1 3.36Å; P332-H352 VanDerWaalsContact CG-ND1 3.32Å; P332-H352 WeakPolarHBondContact CG-ND1 3.07Å
333I58.1Low67Low74 Ų7471.7 Ų71.738%0.37938%0.378SS..EExtended strand (participates in β ladder)trans-74.897171.5-57.1175.9000106.6V331 L336 V351V331-I333 PolarHBondContact O-N 2.83Å; I333-L336 HydrophobicContact CG2-CD1 4.12Å; I333-L336 HydrophobicContact CG2-CD2 4.11Å; I333-L336 HydrophobicContact CG2-CG 4.02Å; I333-V351 HydrophobicContact CB-CB 4.48Å; I333-V351 PolarHBondContact N-O 3.18Å; I333-V351 PolarHBondContact O-N 2.95Å
334T58.4Low67.5Low58 Ų5876.5 Ų76.536%0.35640%0.398SS..EExtended strand (participates in β ladder)trans-84.9144.2-177.662.80000110.7F238 P332 E350F238-T334 HydrophobicContact CE2-CG2 3.86Å; F238-T334 HydrophobicContact CZ-CG2 3.79Å; P332-T334 HydrophobicContact CB-CG2 4.36Å; P332-T334 PolarHBondContact O-N 2.73Å; T334-E350 HydrophobicContact CG2-CB 4.39Å; T334-E350 HydrophobicContact CG2-CG 3.79Å
335G60.5Low68.4Low23 Ų2373.5 Ų73.524%0.23738%0.377CS..EExtended strand (participates in β ladder)trans91.112.7163.500000118K337 V349G335-K337 PolarHBondContact O-N 2.8Å; G335-V349 PolarHBondContact N-O 3.49Å; G335-V349 VanDerWaalsContact N-O 3.13Å
336L76.2Confident69.5Low70 Ų7067.8 Ų67.837%0.36635%0.347SS..EExtended strand (participates in β ladder)trans-63.5133.7171.5-61.9-176.2000110.4I333 Y338 K348 V349 V351I333-L336 HydrophobicContact CG2-CD1 4.12Å; I333-L336 HydrophobicContact CG2-CD2 4.11Å; I333-L336 HydrophobicContact CG2-CG 4.02Å; L336-Y338 HydrophobicContact CB-CD2 4.37Å; L336-Y338 HydrophobicContact CB-CE2 3.81Å; L336-Y338 HydrophobicContact CD1-CE2 4.5Å; L336-K348 CarbonylContact O-C 3.59Å; L336-K348 WeakPolarHBondContact O-CA 3.34Å; L336-V349 PolarHBondContact N-O 2.89Å; L336-V349 PolarHBondContact O-N 2.74Å; L336-V351 HydrophobicContact CD1-CB 4.44Å; L336-V351 HydrophobicContact CD1-CG2 3.67Å
337K78.8Confident70.8Confident83 Ų8367 Ų6736%0.36134%0.341SS..EExtended strand (participates in β ladder)trans-97.8119.2180-65.8178.7-174.9173.70109.8G335 V346 C347 T432 A434G335-K337 PolarHBondContact O-N 2.8Å; K337-V346 HydrophobicContact CB-CG1 4.02Å; K337-V346 HydrophobicContact CG-CG1 4.44Å; K337-C347 CarbonylContact C-O 3.59Å; K337-C347 WeakPolarHBondContact CA-O 3.42Å; K337-T432 HydrophobicContact CB-CG2 4.17Å; K337-A434 WeakPolarHBondContact CD-OXT 3.43Å; K337-A434 PolarHBondContact NZ-O 3.42Å; K337-A434 PolarHBondContact NZ-OXT 3.09Å
338Y88.1Confident72.4Confident37 Ų3761.5 Ų61.515%0.14532%0.322CS..EExtended strand (participates in β ladder)trans-108.9121.4174.5-73.6-95.1000109.5L336 V346 C347 V349 E373 V374 L377L336-Y338 HydrophobicContact CB-CD2 4.37Å; L336-Y338 HydrophobicContact CB-CE2 3.81Å; L336-Y338 HydrophobicContact CD1-CE2 4.5Å; Y338-V346 CarbonylContact O-C 3.52Å; Y338-V346 WeakPolarHBondContact O-CA 3.16Å; Y338-C347 PolarHBondContact N-O 3.23Å; Y338-C347 PolarHBondContact O-N 3.09Å; Y338-V349 HydrophobicContact CD2-CB 3.71Å; Y338-V349 HydrophobicContact CD2-CG1 4.39Å; Y338-V349 HydrophobicContact CD2-CG2 3.58Å; Y338-V349 HydrophobicContact CE2-CB 3.88Å; Y338-V349 HydrophobicContact CE2-CG1 4.19Å; Y338-V349 HydrophobicContact CE2-CG2 4.2Å; Y338-V349 HydrophobicContact CG-CG2 4.34Å; Y338-E373 HydrophobicContact CE1-CG 4.09Å; Y338-V374 HydrophobicContact CD1-CG2 4.03Å; Y338-L377 HydrophobicContact CD1-CD1 3.67Å; Y338-L377 HydrophobicContact CD2-CD1 3.87Å; Y338-L377 HydrophobicContact CE1-CD1 4.15Å; Y338-L377 HydrophobicContact CE2-CD1 4.31Å; Y338-L377 HydrophobicContact CG-CD1 3.5Å; Y338-L377 VanDerWaalsContact CG-CD1 3.5Å
339Y90.7Very high74.4Confident55 Ų5554.3 Ų54.322%0.21629%0.285CS..EExtended strand (participates in β ladder)trans-78.1126.9165.9177.6-120.8000108.8P341 E345 V346 V374 G427 L429Y339-P341 HydrophobicContact CD1-CB 4.37Å; Y339-P341 HydrophobicContact CD1-CG 3.89Å; Y339-P341 HydrophobicContact CE1-CB 3.87Å; Y339-P341 HydrophobicContact CE1-CG 3.89Å; Y339-P341 WeakPolarHBondContact O-CD 3.42Å; Y339-E345 CarbonylContact C-O 3.57Å; Y339-E345 WeakPolarHBondContact CD2-O 3.22Å; Y339-V346 HydrophobicContact CD2-CG2 3.9Å; Y339-V374 WeakPolarHBondContact O-CG1 3.41Å; Y339-G427 WeakPolarHBondContact CE2-O 3.26Å; Y339-L429 HydrophobicContact CD1-CB 3.88Å; Y339-L429 HydrophobicContact CD1-CD1 3.99Å; Y339-L429 HydrophobicContact CE1-CB 4.24Å; Y339-L429 HydrophobicContact CG-CB 4.23Å; Y339-L429 HydrophobicContact CG-CD1 4.26Å
340L92.6Very high76Confident0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-103.292.9177.9-59.9-161.3000108T342 L343 E344 E345 C347 V374 L377 E378 R381L340-T342 VanDerWaalsContact C-N 3.31Å; L340-T342 PolarHBondContact O-N 2.95Å; L340-L343 HydrophobicContact CB-CB 4.32Å; L340-L343 HydrophobicContact CD1-CD1 4.07Å; L340-L343 PolarHBondContact O-N 2.82Å; L340-L343 VanDerWaalsContact O-N 3.14Å; L340-E344 PolarHBondContact O-N 2.82Å; L340-E345 PolarHBondContact N-O 2.96Å; L340-E345 PolarHBondContact O-N 3.36Å; L340-C347 HydrophobicContact CD1-CB 4.42Å; L340-C347 WeakPolarHBondContact CD1-SG 3.36Å; L340-C347 HydrophobicContact CG-CB 4.46Å; L340-V374 HydrophobicContact CD2-CG1 4.03Å; L340-L377 HydrophobicContact CD2-CB 3.93Å; L340-E378 WeakPolarHBondContact CA-OE1 3.44Å; L340-E378 HydrophobicContact CB-CG 3.83Å; L340-E378 HydrophobicContact CD1-CG 4.03Å; L340-E378 HydrophobicContact CD2-CG 3.96Å; L340-E378 HydrophobicContact CG-CG 4.13Å; L340-R381 HydrophobicContact CD1-CB 4.09Å; L340-R381 HydrophobicContact CD1-CG 4.19Å
341P88.9Confident77.8Confident72 Ų7245.4 Ų45.447%0.46824%0.239SC..THydrogen-bonded Turntrans-62.4-35.3-168.8-21.333.9000113.5Y339 L343 E344 E378Y339-P341 HydrophobicContact CD1-CB 4.37Å; Y339-P341 HydrophobicContact CD1-CG 3.89Å; Y339-P341 HydrophobicContact CE1-CB 3.87Å; Y339-P341 HydrophobicContact CE1-CG 3.89Å; Y339-P341 WeakPolarHBondContact O-CD 3.42Å; P341-L343 PolarHBondContact O-N 3.07Å; P341-E344 PolarHBondContact O-N 2.88Å; P341-E378 VanDerWaalsContact CD-OE1 3.23Å; P341-E378 WeakPolarHBondContact CD-OE1 3.46Å; P341-E378 VanDerWaalsContact N-OE1 3.08Å
342T91Very high79Confident103 Ų10345.1 Ų45.163%0.63224%0.236SC*.THydrogen-bonded Turntrans-66.9-28.9-179.3-52.20000111.7L340 E378L340-T342 VanDerWaalsContact C-N 3.31Å; L340-T342 PolarHBondContact O-N 2.95Å; T342-E378 WeakPolarHBondContact CA-OE1 3.36Å; T342-E378 WeakPolarHBondContact CB-OE1 2.95Å; T342-E378 WeakPolarHBondContact CB-OE2 3.48Å; T342-E378 PolarHBondContact N-OE1 3Å; T342-E378 VanDerWaalsContact OG1-CD 3.29Å; T342-E378 PolarHBondContact OG1-OE1 3.39Å; T342-E378 VanDerWaalsContact OG1-OE1 3.1Å; T342-E378 PolarHBondContact OG1-OE2 3.37Å
343L91.2Very high79.5Confident51 Ų5151.2 Ų51.227%0.26726%0.263SS..THydrogen-bonded Turntrans-103.1-9.8-176.3-58.8179.6000113.1L340 P341 E345 R381 I382L340-L343 HydrophobicContact CB-CB 4.32Å; L340-L343 HydrophobicContact CD1-CD1 4.07Å; L340-L343 PolarHBondContact O-N 2.82Å; L340-L343 VanDerWaalsContact O-N 3.14Å; P341-L343 PolarHBondContact O-N 3.07Å; L343-E345 HydrophobicContact CB-CB 4.25Å; L343-E345 HydrophobicContact CB-CG 4.14Å; L343-E345 PolarHBondContact O-N 2.79Å; L343-R381 HydrophobicContact CD1-CB 3.66Å; L343-R381 HydrophobicContact CD1-CG 3.29Å; L343-I382 HydrophobicContact CD2-CG1 4.21Å
344E90Very high79.7Confident129 Ų12948.7 Ų48.760%0.60325%0.254SS*.THydrogen-bonded Turntrans51.541.5-170.3-59.4179.2168.300111.5L340 P341 R426 G427L340-E344 PolarHBondContact O-N 2.82Å; P341-E344 PolarHBondContact O-N 2.88Å; E344-R426 VanDerWaalsContact O-CA 3.32Å; E344-R426 WeakPolarHBondContact O-CA 3.36Å; E344-G427 CarbonylContact C-O 3.49Å; E344-G427 PolarHBondContact O-N 3.19Å; E344-G427 VanDerWaalsContact O-O 3.1Å
345E90.6Very high80.1Confident30 Ų3049.6 Ų49.614%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-120.1150.4-179.5-70.5-171.9163.100111.2Y339 L340 L343 R381 C424 R425 R426Y339-E345 CarbonylContact C-O 3.57Å; Y339-E345 WeakPolarHBondContact CD2-O 3.22Å; L340-E345 PolarHBondContact N-O 2.96Å; L340-E345 PolarHBondContact O-N 3.36Å; L343-E345 HydrophobicContact CB-CB 4.25Å; L343-E345 HydrophobicContact CB-CG 4.14Å; L343-E345 PolarHBondContact O-N 2.79Å; E345-R381 VanDerWaalsContact CD-NH2 3.34Å; E345-R381 IonicContact OE1-CZ 3.18Å; E345-R381 IonicContact OE1-NE 3.31Å; E345-R381 IonicContact OE1-NH2 2.98Å; E345-R381 PolarHBondContact OE1-NH2 2.93Å; E345-R381 IonicContact OE2-CZ 3.34Å; E345-R381 VanDerWaalsContact OE2-CZ 3.25Å; E345-R381 IonicContact OE2-NE 3.84Å; E345-R381 PolarHBondContact OE2-NE 3.36Å; E345-R381 IonicContact OE2-NH2 2.64Å; E345-R381 PolarHBondContact OE2-NH2 2.01Å; E345-C424 WeakPolarHBondContact OE2-CB 3.25Å; E345-R425 CarbonylContact C-O 3.53Å; E345-R425 WeakPolarHBondContact CA-O 3.46Å; E345-R425 WeakPolarHBondContact CB-O 3.41Å; E345-R426 HydrophobicContact CG-CG 4.4Å
346V84.2Confident80.5Confident7 Ų752.1 Ų52.14%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-109.9121.9166.1176.30000108K337 Y338 Y339 C424 R425 T428 D431 T432K337-V346 HydrophobicContact CB-CG1 4.02Å; K337-V346 HydrophobicContact CG-CG1 4.44Å; Y338-V346 CarbonylContact O-C 3.52Å; Y338-V346 WeakPolarHBondContact O-CA 3.16Å; Y339-V346 HydrophobicContact CD2-CG2 3.9Å; V346-C424 WeakPolarHBondContact O-CA 3.32Å; V346-R425 PolarHBondContact N-O 2.94Å; V346-R425 PolarHBondContact O-N 2.73Å; V346-T428 WeakPolarHBondContact CG2-O 3.34Å; V346-D431 HydrophobicContact CG2-CB 3.99Å; V346-T432 HydrophobicContact CG1-CG2 4.04Å; V346-T432 HydrophobicContact CG2-CG2 4.18Å
347C83.8Confident80.1Confident0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-106.9130.1179.9-660000110.9K337 Y338 L340 V349 L421 Q423 C424K337-C347 CarbonylContact C-O 3.59Å; K337-C347 WeakPolarHBondContact CA-O 3.42Å; Y338-C347 PolarHBondContact N-O 3.23Å; Y338-C347 PolarHBondContact O-N 3.09Å; L340-C347 HydrophobicContact CD1-CB 4.42Å; L340-C347 WeakPolarHBondContact CD1-SG 3.36Å; L340-C347 HydrophobicContact CG-CB 4.46Å; C347-V349 HydrophobicContact CB-CG2 4.24Å; C347-L421 HydrophobicContact CB-CD2 4.1Å; C347-Q423 CarbonylContact C-O 3.57Å; C347-Q423 WeakPolarHBondContact CA-O 3.25Å; C347-C424 HydrophobicContact CB-CB 4.11Å; C347-C424 WeakPolarHBondContact CB-SG 3.48Å; C347-C424 WeakPolarHBondContact SG-CB 3.49Å; C347-C424 CovalentContact SG-SG 2.03Å; C347-C424 PolarHBondContact SG-SG 2.98Å
348K78.3Confident79.5Confident99 Ų9951.1 Ų51.143%0.4326%0.259SS..EExtended strand (participates in β ladder)trans-80.7125165.1-168.1177.7-177.5-179.10108.1L336 M422 Q423L336-K348 CarbonylContact O-C 3.59Å; L336-K348 WeakPolarHBondContact O-CA 3.34Å; K348-M422 HydrophobicContact CB-CB 4.43Å; K348-M422 WeakPolarHBondContact O-CB 3.44Å; K348-M422 PolarHBondContact O-N 3.5Å; K348-Q423 PolarHBondContact N-O 3.03Å; K348-Q423 PolarHBondContact O-N 3.22Å
349V82Confident78.6Confident0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-126.5139.9-173.9179.40000109.3G335 L336 Y338 C347 V351 L377 M419 N420G335-V349 PolarHBondContact N-O 3.49Å; G335-V349 VanDerWaalsContact N-O 3.13Å; L336-V349 PolarHBondContact N-O 2.89Å; L336-V349 PolarHBondContact O-N 2.74Å; Y338-V349 HydrophobicContact CD2-CB 3.71Å; Y338-V349 HydrophobicContact CD2-CG1 4.39Å; Y338-V349 HydrophobicContact CD2-CG2 3.58Å; Y338-V349 HydrophobicContact CE2-CB 3.88Å; Y338-V349 HydrophobicContact CE2-CG1 4.19Å; Y338-V349 HydrophobicContact CE2-CG2 4.2Å; Y338-V349 HydrophobicContact CG-CG2 4.34Å; C347-V349 HydrophobicContact CB-CG2 4.24Å; V349-V351 HydrophobicContact CG1-CG2 4.22Å; V349-L377 HydrophobicContact CG1-CD2 4.16Å; V349-L377 HydrophobicContact CG2-CD1 3.96Å; V349-L377 HydrophobicContact CG2-CD2 3.95Å; V349-M419 HydrophobicContact CG1-CB 3.61Å; V349-M419 HydrophobicContact CG1-CG 4.11Å; V349-N420 VanDerWaalsContact CA-O 3.32Å; V349-N420 WeakPolarHBondContact CA-O 3.49Å
350E74.6Confident78.1Confident8 Ų849.6 Ų49.64%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-102.4125.9170.9171.4-175.7-158.500109F238 P332 T334 H352 M419 N420 M422F238-E350 VanDerWaalsContact CE2-OE1 3.24Å; F238-E350 WeakPolarHBondContact CE2-OE1 3.29Å; P332-E350 HydrophobicContact CB-CG 3.55Å; P332-E350 WeakPolarHBondContact CB-OE1 3.43Å; P332-E350 WeakPolarHBondContact CG-OE1 3.39Å; T334-E350 HydrophobicContact CG2-CB 4.39Å; T334-E350 HydrophobicContact CG2-CG 3.79Å; E350-H352 WeakPolarHBondContact CG-NE2 3.4Å; E350-H352 IonicContact OE1-CE1 2.69Å; E350-H352 PolarHBondContact OE1-CE1 3.04Å; E350-H352 IonicContact OE1-NE2 3.25Å; E350-H352 PolarHBondContact OE1-NE2 3.21Å; E350-H352 IonicContact OE2-NE2 2.88Å; E350-M419 CarbonylContact O-C 3.56Å; E350-M419 WeakPolarHBondContact O-CA 3.41Å; E350-N420 HydrophobicContact CB-CB 4.24Å; E350-N420 PolarHBondContact N-O 3.41Å; E350-N420 PolarHBondContact O-N 2.9Å; E350-N420 PolarHBondContact OE2-ND2 2.89Å; E350-M422 HydrophobicContact CB-CG 4.21Å; E350-M422 HydrophobicContact CB-SD 4.26Å
351V79.8Confident77.8Confident19 Ų1953.8 Ų53.812%0.11528%0.276CS..EExtended strand (participates in β ladder)trans-109.9115.4-176.3-173.50000109.8P332 I333 L336 V349 F418 M419P332-V351 CarbonylContact C-O 3.54Å; P332-V351 WeakPolarHBondContact CA-O 3.08Å; I333-V351 HydrophobicContact CB-CB 4.48Å; I333-V351 PolarHBondContact N-O 3.18Å; I333-V351 PolarHBondContact O-N 2.95Å; L336-V351 HydrophobicContact CD1-CB 4.44Å; L336-V351 HydrophobicContact CD1-CG2 3.67Å; V349-V351 HydrophobicContact CG1-CG2 4.22Å; V351-F418 WeakPolarHBondContact CA-O 3.33Å; V351-M419 HydrophobicContact CG1-CG 4.45Å; V351-M419 HydrophobicContact CG2-CG 4.1Å
352H70Confident77.8Confident21 Ų2155 Ų5510%0.09728%0.275CS..EExtended strand (participates in β ladder)trans-91.9132.8179.2-62.6-116.9000110.3P332 E350 L357 F418P332-H352 WeakPolarHBondContact CG-CE1 3.36Å; P332-H352 VanDerWaalsContact CG-ND1 3.32Å; P332-H352 WeakPolarHBondContact CG-ND1 3.07Å; E350-H352 WeakPolarHBondContact CG-NE2 3.4Å; E350-H352 IonicContact OE1-CE1 2.69Å; E350-H352 PolarHBondContact OE1-CE1 3.04Å; E350-H352 IonicContact OE1-NE2 3.25Å; E350-H352 PolarHBondContact OE1-NE2 3.21Å; E350-H352 IonicContact OE2-NE2 2.88Å; H352-L357 HydrophobicContact CB-CD1 4.43Å; H352-L357 HydrophobicContact CB-CD2 3.7Å; H352-F418 HydrophobicContact CB-CB 4.34Å; H352-F418 HydrophobicContact CB-CD1 3.95Å; H352-F418 AromaticContact CD2-CD1 3.36Å; H352-F418 WeakPolarHBondContact CD2-CD1 3.38Å; H352-F418 AromaticContact CD2-CE1 3.61Å; H352-F418 AromaticContact CG-CD1 3.75Å; H352-F418 PolarHBondContact N-O 3.04Å; H352-F418 AromaticContact NE2-CE1 3.86Å
353Q61.8Low77.7Confident137 Ų13750.4 Ų50.464%0.6425%0.247SC*.  trans-101.1-3.6173.8-62.6-166.8-8.300113.2
354A61.9Low77.5Confident21 Ų2153.1 Ų53.117%0.17427%0.267CS..  trans-66.3139.2178.800000111.2L356 L357 V413A354-L356 VanDerWaalsContact C-N 3.26Å; A354-L356 PolarHBondContact O-N 3.24Å; A354-L357 HydrophobicContact CB-CD2 4.23Å; A354-V413 WeakPolarHBondContact O-CG2 3.21Å
355P67.4Low77.3Confident76 Ų7649.3 Ų49.349%0.49426%0.263SS..SBendtrans-70.6-23.4179.928.2-34.5000113.2N412 V413P355-N412 WeakPolarHBondContact O-CA 3.37Å; P355-V413 PolarHBondContact O-N 2.79Å
356L67.7Low77.1Confident77 Ų7754.9 Ų54.940%0.40329%0.293SS..EExtended strand (participates in β ladder)trans-123.1136.7-180-61.9173.7000109.2A354 Y358 P410 I411 N412A354-L356 VanDerWaalsContact C-N 3.26Å; A354-L356 PolarHBondContact O-N 3.24Å; L356-Y358 HydrophobicContact CB-CE2 4.46Å; L356-P410 HydrophobicContact CB-CB 4.37Å; L356-P410 HydrophobicContact CD2-CB 4.31Å; L356-I411 WeakPolarHBondContact CA-O 3.27Å; L356-N412 HydrophobicContact CD2-CB 4.31Å
357L68Low77.4Confident7 Ų756.9 Ų56.94%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-131.8141179.5-62.7173000110.7H352 A354 W360 P410 I411 V413 F418H352-L357 HydrophobicContact CB-CD1 4.43Å; H352-L357 HydrophobicContact CB-CD2 3.7Å; A354-L357 HydrophobicContact CB-CD2 4.23Å; L357-W360 HydrophobicContact CB-CE3 4.35Å; L357-P410 CarbonylContact O-C 3.56Å; L357-P410 WeakPolarHBondContact O-CA 3.25Å; L357-I411 PolarHBondContact N-O 2.86Å; L357-I411 PolarHBondContact O-N 2.9Å; L357-V413 HydrophobicContact CD1-CB 4.33Å; L357-V413 HydrophobicContact CD1-CG1 3.83Å; L357-V413 HydrophobicContact CD1-CG2 3.63Å; L357-V413 HydrophobicContact CG-CG2 3.87Å; L357-F418 HydrophobicContact CD1-CB 3.3Å; L357-F418 HydrophobicContact CD1-CD1 3.55Å; L357-F418 HydrophobicContact CD1-CD2 3.36Å; L357-F418 HydrophobicContact CD1-CE1 4.14Å; L357-F418 HydrophobicContact CD1-CE2 4Å; L357-F418 HydrophobicContact CD1-CG 3.11Å; L357-F418 HydrophobicContact CD1-CZ 4.35Å
358Y66.7Low77.8Confident125 Ų12560 Ų6049%0.4933%0.325SS..  trans-117.7147-174.5-62.7-93.1000110.5L356 W360 L408 P410L356-Y358 HydrophobicContact CB-CE2 4.46Å; Y358-W360 WeakPolarHBondContact O-CZ3 3.44Å; Y358-L408 WeakPolarHBondContact CD1-O 3.24Å; Y358-P410 HydrophobicContact CD1-CB 4.16Å; Y358-P410 HydrophobicContact CE1-CB 3.68Å; Y358-P410 HydrophobicContact CE1-CG 4.16Å
359G69.1Low78.6Confident17 Ų1760.4 Ų60.418%0.17534%0.338CS..SBendtrans84.110.8174.800000115.1V404 T405G359-V404 WeakPolarHBondContact O-CA 3.33Å; G359-T405 CarbonylContact C-O 3.59Å; G359-T405 WeakPolarHBondContact CA-O 3.34Å; G359-T405 PolarHBondContact O-N 2.78Å; G359-T405 VanDerWaalsContact O-O 3.12Å
360W81.2Confident79.1Confident42 Ų4261 Ų6116%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-120.8156.8166.6-67.1-87.6000110.2L357 Y358 M402 E403 T405 I411 F418L357-W360 HydrophobicContact CB-CE3 4.35Å; Y358-W360 WeakPolarHBondContact O-CZ3 3.44Å; W360-M402 HydrophobicContact CB-CE 4.2Å; W360-E403 WeakPolarHBondContact CA-O 3.39Å; W360-T405 VanDerWaalsContact C-CG2 3.44Å; W360-T405 WeakPolarHBondContact O-CG2 3.36Å; W360-I411 HydrophobicContact CB-CD1 3.69Å; W360-I411 WeakPolarHBondContact O-CD1 3.47Å; W360-F418 HydrophobicContact CB-CE2 4.34Å; W360-F418 HydrophobicContact CB-CZ 4.48Å; W360-F418 AromaticContact CD1-CZ 3.88Å; W360-F418 HydrophobicContact CD2-CE1 4.27Å; W360-F418 HydrophobicContact CD2-CE2 4.14Å; W360-F418 AromaticContact CD2-CZ 3.45Å; W360-F418 HydrophobicContact CD2-CZ 3.45Å; W360-F418 VanDerWaalsContact CD2-CZ 3.45Å; W360-F418 AromaticContact CE2-CZ 3.57Å; W360-F418 HydrophobicContact CE3-CE1 4.41Å; W360-F418 AromaticContact CE3-CZ 3.89Å; W360-F418 HydrophobicContact CE3-CZ 3.89Å; W360-F418 HydrophobicContact CG-CE2 4.01Å; W360-F418 AromaticContact CG-CZ 3.69Å; W360-F418 HydrophobicContact CG-CZ 3.69Å; W360-F418 HydrophobicContact CH2-CE1 4.43Å; W360-F418 HydrophobicContact CZ2-CE1 4.25Å; W360-F418 HydrophobicContact CZ2-CZ 4.12Å; W360-F418 HydrophobicContact CZ3-CE1 4.49Å; W360-F418 HydrophobicContact CZ3-CZ 4.4Å; W360-F418 AromaticContact NE1-CZ 3.78Å
361K84.8Confident79.9Confident89 Ų8965.6 Ų65.639%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-136.6151.5166.662.9-177.5169.8136.10109.7M363 M402 E403 T405K361-M363 PolarHBondContact O-N 2.75Å; K361-M402 WeakPolarHBondContact O-CA 3.36Å; K361-E403 HydrophobicContact CD-CG 4.39Å; K361-E403 WeakPolarHBondContact CE-OE1 3.28Å; K361-E403 HydrophobicContact CG-CG 3.77Å; K361-E403 PolarHBondContact N-O 2.83Å; K361-E403 IonicContact NZ-OE1 2.74Å; K361-E403 PolarHBondContact NZ-OE1 2.82Å; K361-E403 PolarHBondContact O-N 2.8Å; K361-T405 HydrophobicContact CB-CG2 4Å; K361-T405 HydrophobicContact CD-CG2 4.37Å; K361-T405 HydrophobicContact CG-CG2 4.14Å
362Q90Very high80.5Confident97 Ų9766.4 Ų66.445%0.45337%0.373SS..EExtended strand (participates in β ladder)trans-64.3131.9171.6169.6169.1-9.300109.5G365 T400 M402Q362-G365 PolarHBondContact NE2-O 2.62Å; Q362-T400 HydrophobicContact CB-CG2 4.08Å; Q362-T400 HydrophobicContact CG-CG2 3.46Å; Q362-T400 VanDerWaalsContact CG-CG2 3.46Å; Q362-M402 HydrophobicContact CB-CE 4.48Å; Q362-M402 HydrophobicContact CB-SD 4.11Å
363M89.5Confident81.5Confident7 Ų769.2 Ų69.23%0.03439%0.386CS..PPolyproline II helixtrans-69.7151.9171.7-65.1176.565.700110.3K361 G365 E386 C388 A401 E403K361-M363 PolarHBondContact O-N 2.75Å; M363-G365 PolarHBondContact O-N 3.41Å; M363-E386 HydrophobicContact CE-CB 3.52Å; M363-E386 WeakPolarHBondContact CE-O 3.21Å; M363-C388 HydrophobicContact CE-CB 4.26Å; M363-C388 VanDerWaalsContact SD-CA 3.56Å; M363-C388 HydrophobicContact SD-CB 3.49Å; M363-C388 WeakPolarHBondContact SD-CB 3.47Å; M363-A401 HydrophobicContact CB-CB 4.37Å; M363-A401 WeakPolarHBondContact CB-O 2.88Å; M363-A401 HydrophobicContact CG-CB 4.4Å; M363-A401 PolarHBondContact N-O 2.04Å; M363-A401 HydrophobicContact SD-CB 3.71Å; M363-E403 HydrophobicContact CG-CB 3.94Å; M363-E403 HydrophobicContact CG-CG 3.97Å; M363-E403 HydrophobicContact SD-CB 4.44Å
364P86.5Confident83Confident108 Ų10864.5 Ų64.570%0.70137%0.367SS*.SBendtrans-51.9133.3175.1-25.533.8000112.3R383P364-R383 PolarHBondContact O-NH2 3.22Å
365G84.6Confident84.5Confident49 Ų4965.4 Ų65.451%0.50537%0.37SS..SBendtrans124.4156.3-179.800000113.2Q362 M363Q362-G365 PolarHBondContact NE2-O 2.62Å; M363-G365 PolarHBondContact O-N 3.41Å
366D87.1Confident85.8Confident146 Ų14661.8 Ų61.878%0.78135%0.347SS*.PPolyproline II helixtrans-74.1153.8174.8-64.1-45.2000111.1V368D366-V368 PolarHBondContact O-N 3.02Å
367P90.6Very high87.1Confident50 Ų5058.1 Ų58.133%0.32533%0.328SS..PPolyproline II helixtrans-53.3134.2169.6-23.133.2000111.4E398 C399P367-E398 HydrophobicContact CB-CB 3.91Å; P367-C399 WeakPolarHBondContact CA-O 3.34Å
368V93Very high88.4Confident64 Ų6458.4 Ų58.439%0.38833%0.328SS..EExtended strand (participates in β ladder)trans-97.7131.3-176.7-177.20000109.4D366 V370 L379 C399D366-V368 PolarHBondContact O-N 3.02Å; V368-V370 PolarHBondContact O-N 3.06Å; V368-L379 HydrophobicContact CB-CD1 4.11Å; V368-L379 HydrophobicContact CG1-CD1 4.04Å; V368-C399 PolarHBondContact N-O 2.75Å; V368-C399 PolarHBondContact O-N 3.47Å
369P94.1Very high89.6Confident109 Ų10955 Ų5571%0.70832%0.319SS*.EExtended strand (participates in β ladder)trans-67.2128.2174.327.5-33.6000110.6K397P369-K397 CarbonylContact C-O 3.59Å; P369-K397 WeakPolarHBondContact CA-O 3.13Å
370V93.5Very high90.8Very high12 Ų1254.2 Ų54.27%0.07331%0.31CS..  trans-134.1149.6177.5-60.70000110.7V368 S372 T375 C376 L379 Y393 K397 C399V368-V370 PolarHBondContact O-N 3.06Å; V370-S372 VanDerWaalsContact C-N 3.32Å; V370-S372 WeakPolarHBondContact CG2-O 3.37Å; V370-S372 PolarHBondContact O-N 3.39Å; V370-T375 HydrophobicContact CB-CG2 4.09Å; V370-T375 HydrophobicContact CG1-CG2 4.14Å; V370-C376 HydrophobicContact CG2-CB 4Å; V370-L379 HydrophobicContact CG1-CD1 3.33Å; V370-L379 HydrophobicContact CG1-CG 4.3Å; V370-Y393 HydrophobicContact CG2-CD2 3.9Å; V370-Y393 HydrophobicContact CG2-CE2 3.6Å; V370-K397 PolarHBondContact N-O 2.84Å; V370-K397 VanDerWaalsContact O-CB 3.3Å; V370-K397 WeakPolarHBondContact O-CB 3.42Å; V370-K397 VanDerWaalsContact O-O 3.1Å; V370-C399 HydrophobicContact CB-CB 4.41Å; V370-C399 HydrophobicContact CG1-CB 3.75Å; V370-C399 HydrophobicContact CG2-CB 3.72Å
371D90.7Very high91.4Very high105 Ų10554.8 Ų54.856%0.56131%0.313SS*.SBendtrans-73-25.2-177.259.6-0.5000114T375 K397D371-T375 VanDerWaalsContact OD1-CB 3.28Å; D371-T375 WeakPolarHBondContact OD1-CB 3.39Å; D371-T375 PolarHBondContact OD1-OG1 3.3Å; D371-K397 PolarHBondContact O-NZ 3.13Å
372S93.1Very high91.7Very high36 Ų3655.6 Ų55.625%0.25232%0.32SS..SBendtrans-153.9161.3-170.267.60000113V370 V374 T375 C376V370-S372 VanDerWaalsContact C-N 3.32Å; V370-S372 WeakPolarHBondContact CG2-O 3.37Å; V370-S372 PolarHBondContact O-N 3.39Å; S372-V374 VanDerWaalsContact C-N 3.27Å; S372-V374 PolarHBondContact O-N 2.85Å; S372-T375 PolarHBondContact O-N 3.17Å; S372-T375 PolarHBondContact OG-N 3.14Å; S372-T375 VanDerWaalsContact OG-N 3.14Å; S372-T375 PolarHBondContact OG-OG1 2.74Å; S372-T375 VanDerWaalsContact OG-OG1 3.1Å; S372-C376 PolarHBondContact O-N 2.91Å; S372-C376 VanDerWaalsContact O-N 3.11Å
373E90.7Very high91.7Very high80 Ų8053.9 Ų53.937%0.37431%0.309SS..Hα-helixtrans-60.6-33.3169.162-150.5-163.300113.1Y338 C376 L377 Y393 M419Y338-E373 HydrophobicContact CE1-CG 4.09Å; E373-C376 VanDerWaalsContact O-CB 3.26Å; E373-C376 WeakPolarHBondContact O-CB 3.37Å; E373-C376 PolarHBondContact O-N 3.5Å; E373-L377 WeakPolarHBondContact O-CG 3.39Å; E373-L377 PolarHBondContact O-N 3.23Å; E373-Y393 HydrophobicContact CB-CD1 3.83Å; E373-Y393 HydrophobicContact CB-CE1 4.1Å; E373-Y393 HydrophobicContact CB-CG 4.2Å; E373-M419 HydrophobicContact CB-CE 3.68Å; E373-M419 HydrophobicContact CB-SD 4.13Å
374V92.8Very high91.4Very high38 Ų3859.3 Ų59.323%0.2333%0.333CS..Hα-helixtrans-60.6-49.3175.2175.70000110.2Y338 Y339 L340 S372 C376 L377 E378Y338-V374 HydrophobicContact CD1-CG2 4.03Å; Y339-V374 WeakPolarHBondContact O-CG1 3.41Å; L340-V374 HydrophobicContact CD2-CG1 4.03Å; S372-V374 VanDerWaalsContact C-N 3.27Å; S372-V374 PolarHBondContact O-N 2.85Å; V374-C376 PolarHBondContact O-N 2.89Å; V374-L377 WeakPolarHBondContact O-CB 3.42Å; V374-L377 PolarHBondContact O-N 3.44Å; V374-L377 VanDerWaalsContact O-N 3.12Å; V374-E378 WeakPolarHBondContact O-CG 3.36Å; V374-E378 PolarHBondContact O-N 3.31Å
375T93.8Very high91.3Very high40 Ų4065.8 Ų65.825%0.24534%0.343CS..Hα-helixtrans-66.3-30.7177.9-58.30000111.8V370 D371 S372 E378 L379V370-T375 HydrophobicContact CB-CG2 4.09Å; V370-T375 HydrophobicContact CG1-CG2 4.14Å; D371-T375 VanDerWaalsContact OD1-CB 3.28Å; D371-T375 WeakPolarHBondContact OD1-CB 3.39Å; D371-T375 PolarHBondContact OD1-OG1 3.3Å; S372-T375 PolarHBondContact O-N 3.17Å; S372-T375 PolarHBondContact OG-N 3.14Å; S372-T375 VanDerWaalsContact OG-N 3.14Å; S372-T375 PolarHBondContact OG-OG1 2.74Å; S372-T375 VanDerWaalsContact OG-OG1 3.1Å; T375-E378 PolarHBondContact O-N 3.38Å; T375-L379 WeakPolarHBondContact O-CG 3.04Å; T375-L379 PolarHBondContact O-N 3.1Å
376C95Very high91.4Very high0 Ų068.3 Ų68.30%034%0.342CS..Hα-helixtrans-62-46.1170.8-167.70000111.9V370 S372 E373 V374 E378 L379 C380 V391 Y393 C399V370-C376 HydrophobicContact CG2-CB 4Å; S372-C376 PolarHBondContact O-N 2.91Å; S372-C376 VanDerWaalsContact O-N 3.11Å; E373-C376 VanDerWaalsContact O-CB 3.26Å; E373-C376 WeakPolarHBondContact O-CB 3.37Å; E373-C376 PolarHBondContact O-N 3.5Å; V374-C376 PolarHBondContact O-N 2.89Å; C376-E378 VanDerWaalsContact C-N 3.34Å; C376-E378 PolarHBondContact O-N 2.98Å; C376-L379 WeakPolarHBondContact O-CB 3.35Å; C376-L379 PolarHBondContact O-N 3.28Å; C376-C380 PolarHBondContact O-N 2.88Å; C376-V391 HydrophobicContact CB-CG2 4.42Å; C376-V391 WeakPolarHBondContact SG-CB 3.48Å; C376-V391 VanDerWaalsContact SG-CG2 3.6Å; C376-Y393 HydrophobicContact CB-CD2 4.19Å; C376-C399 WeakPolarHBondContact CA-SG 3.41Å; C376-C399 HydrophobicContact CB-CB 3.77Å; C376-C399 WeakPolarHBondContact CB-SG 3.27Å; C376-C399 VanDerWaalsContact SG-CA 3.56Å; C376-C399 WeakPolarHBondContact SG-CB 3.33Å; C376-C399 CovalentContact SG-SG 2.03Å; C376-C399 PolarHBondContact SG-SG 3.23Å
377L94.8Very high91.3Very high0 Ų066.4 Ų66.40%033%0.332CS..Hα-helixtrans-62.6-39.9175.3-67.9166.6000111.9Y338 L340 V349 E373 V374 L379 C380 R381 V391 M419 L421Y338-L377 HydrophobicContact CD1-CD1 3.67Å; Y338-L377 HydrophobicContact CD2-CD1 3.87Å; Y338-L377 HydrophobicContact CE1-CD1 4.15Å; Y338-L377 HydrophobicContact CE2-CD1 4.31Å; Y338-L377 HydrophobicContact CG-CD1 3.5Å; Y338-L377 VanDerWaalsContact CG-CD1 3.5Å; L340-L377 HydrophobicContact CD2-CB 3.93Å; V349-L377 HydrophobicContact CG1-CD2 4.16Å; V349-L377 HydrophobicContact CG2-CD1 3.96Å; V349-L377 HydrophobicContact CG2-CD2 3.95Å; E373-L377 WeakPolarHBondContact O-CG 3.39Å; E373-L377 PolarHBondContact O-N 3.23Å; V374-L377 WeakPolarHBondContact O-CB 3.42Å; V374-L377 PolarHBondContact O-N 3.44Å; V374-L377 VanDerWaalsContact O-N 3.12Å; L377-L379 PolarHBondContact O-N 3.26Å; L377-C380 PolarHBondContact O-N 3.34Å; L377-R381 WeakPolarHBondContact O-CB 3.04Å; L377-R381 PolarHBondContact O-N 2.81Å; L377-V391 HydrophobicContact CD2-CG2 3.88Å; L377-V391 HydrophobicContact CG-CG2 4.43Å; L377-M419 HydrophobicContact CD1-SD 4.23Å; L377-M419 HydrophobicContact CD2-CB 3.97Å; L377-M419 HydrophobicContact CD2-SD 4.33Å; L377-M419 HydrophobicContact CG-SD 4.32Å; L377-L421 HydrophobicContact CD2-CD1 3.8Å; L377-L421 HydrophobicContact CD2-CD2 4.27Å; L377-L421 HydrophobicContact CD2-CG 3.85Å
378E94.5Very high91.4Very high12 Ų1264.4 Ų64.46%0.05632%0.318CS..Hα-helixtrans-59.6-43.8174.2-71-173147.800112.3L340 P341 T342 V374 T375 C376 C380 R381 I382L340-E378 WeakPolarHBondContact CA-OE1 3.44Å; L340-E378 HydrophobicContact CB-CG 3.83Å; L340-E378 HydrophobicContact CD1-CG 4.03Å; L340-E378 HydrophobicContact CD2-CG 3.96Å; L340-E378 HydrophobicContact CG-CG 4.13Å; P341-E378 VanDerWaalsContact CD-OE1 3.23Å; P341-E378 WeakPolarHBondContact CD-OE1 3.46Å; P341-E378 VanDerWaalsContact N-OE1 3.08Å; T342-E378 WeakPolarHBondContact CA-OE1 3.36Å; T342-E378 WeakPolarHBondContact CB-OE1 2.95Å; T342-E378 WeakPolarHBondContact CB-OE2 3.48Å; T342-E378 PolarHBondContact N-OE1 3Å; T342-E378 VanDerWaalsContact OG1-CD 3.29Å; T342-E378 PolarHBondContact OG1-OE1 3.39Å; T342-E378 VanDerWaalsContact OG1-OE1 3.1Å; T342-E378 PolarHBondContact OG1-OE2 3.37Å; V374-E378 WeakPolarHBondContact O-CG 3.36Å; V374-E378 PolarHBondContact O-N 3.31Å; T375-E378 PolarHBondContact O-N 3.38Å; C376-E378 VanDerWaalsContact C-N 3.34Å; C376-E378 PolarHBondContact O-N 2.98Å; E378-C380 VanDerWaalsContact C-N 3.33Å; E378-C380 PolarHBondContact O-N 3.17Å; E378-R381 PolarHBondContact O-N 3.31Å; E378-I382 VanDerWaalsContact O-CG1 3.29Å; E378-I382 WeakPolarHBondContact O-CG1 3.35Å; E378-I382 PolarHBondContact O-N 3.25Å
379L92.9Very high91.2Very high54 Ų5463.3 Ų63.328%0.28331%0.312SS..Hα-helixtrans-57.4-47176.2-75.3179.7000111.5V368 V370 T375 C376 L377 R381 I382 R383 C399V368-L379 HydrophobicContact CB-CD1 4.11Å; V368-L379 HydrophobicContact CG1-CD1 4.04Å; V370-L379 HydrophobicContact CG1-CD1 3.33Å; V370-L379 HydrophobicContact CG1-CG 4.3Å; T375-L379 WeakPolarHBondContact O-CG 3.04Å; T375-L379 PolarHBondContact O-N 3.1Å; C376-L379 WeakPolarHBondContact O-CB 3.35Å; C376-L379 PolarHBondContact O-N 3.28Å; L377-L379 PolarHBondContact O-N 3.26Å; L379-R381 VanDerWaalsContact C-N 3.33Å; L379-R381 PolarHBondContact O-N 3.17Å; L379-I382 PolarHBondContact O-N 2.97Å; L379-R383 WeakPolarHBondContact O-CB 3.46Å; L379-R383 WeakPolarHBondContact O-CG 3.5Å; L379-R383 PolarHBondContact O-N 3.09Å; L379-C399 HydrophobicContact CD1-CB 4.23Å
380C94.3Very high91.1Very high0 Ų058.1 Ų58.10%028%0.279CS..Hα-helixtrans-65-40.3177.4-171.60000111.9C376 L377 E378 I382 R383 K384 C388 A390 V391 L421C376-C380 PolarHBondContact O-N 2.88Å; L377-C380 PolarHBondContact O-N 3.34Å; E378-C380 VanDerWaalsContact C-N 3.33Å; E378-C380 PolarHBondContact O-N 3.17Å; C380-I382 VanDerWaalsContact C-N 3.32Å; C380-I382 PolarHBondContact O-N 2.9Å; C380-R383 CarbonylContact O-C 3.18Å; C380-R383 WeakPolarHBondContact O-CA 3.39Å; C380-R383 PolarHBondContact O-N 3.21Å; C380-R383 VanDerWaalsContact O-N 3.1Å; C380-K384 PolarHBondContact O-N 3.3Å; C380-C388 WeakPolarHBondContact CA-SG 3.38Å; C380-C388 HydrophobicContact CB-CB 4.08Å; C380-C388 WeakPolarHBondContact CB-SG 3.47Å; C380-C388 WeakPolarHBondContact O-CB 3.47Å; C380-C388 WeakPolarHBondContact SG-CB 3.43Å; C380-C388 CovalentContact SG-SG 2.03Å; C380-C388 PolarHBondContact SG-SG 3.16Å; C380-A390 PolarHBondContact SG-O 2.79Å; C380-V391 HydrophobicContact CB-CG1 3.32Å; C380-L421 HydrophobicContact CB-CD1 3.65Å; C380-L421 WeakPolarHBondContact SG-CD1 3.34Å
381R93.6Very high91.1Very high55 Ų5557.6 Ų57.621%0.20828%0.275CS..Hα-helixtrans-62.7-38.7178.6-173.259.7175.71305.6112.4L340 L343 E345 L377 E378 L379 K384L340-R381 HydrophobicContact CD1-CB 4.09Å; L340-R381 HydrophobicContact CD1-CG 4.19Å; L343-R381 HydrophobicContact CD1-CB 3.66Å; L343-R381 HydrophobicContact CD1-CG 3.29Å; E345-R381 VanDerWaalsContact CD-NH2 3.34Å; E345-R381 IonicContact OE1-CZ 3.18Å; E345-R381 IonicContact OE1-NE 3.31Å; E345-R381 IonicContact OE1-NH2 2.98Å; E345-R381 PolarHBondContact OE1-NH2 2.93Å; E345-R381 IonicContact OE2-CZ 3.34Å; E345-R381 VanDerWaalsContact OE2-CZ 3.25Å; E345-R381 IonicContact OE2-NE 3.84Å; E345-R381 PolarHBondContact OE2-NE 3.36Å; E345-R381 IonicContact OE2-NH2 2.64Å; E345-R381 PolarHBondContact OE2-NH2 2.01Å; L377-R381 WeakPolarHBondContact O-CB 3.04Å; L377-R381 PolarHBondContact O-N 2.81Å; E378-R381 PolarHBondContact O-N 3.31Å; L379-R381 VanDerWaalsContact C-N 3.33Å; L379-R381 PolarHBondContact O-N 3.17Å; R381-K384 VanDerWaalsContact O-CB 3.3Å; R381-K384 WeakPolarHBondContact O-CB 3.47Å; R381-K384 PolarHBondContact O-N 2.83Å
382I91.2Very high91.2Very high105 Ų10552.9 Ų52.954%0.53825%0.25SS..Hα-helixtrans-66-43.1172.1-67.2163.5000110.5L343 E378 L379 C380 K384L343-I382 HydrophobicContact CD2-CG1 4.21Å; E378-I382 VanDerWaalsContact O-CG1 3.29Å; E378-I382 WeakPolarHBondContact O-CG1 3.35Å; E378-I382 PolarHBondContact O-N 3.25Å; L379-I382 PolarHBondContact O-N 2.97Å; C380-I382 VanDerWaalsContact C-N 3.32Å; C380-I382 PolarHBondContact O-N 2.9Å; I382-K384 PolarHBondContact O-N 2.76Å
383R89.3Confident91.1Very high62 Ų6252.8 Ų52.823%0.23425%0.245CC..G310 helixtrans-80.211.8176.6-64.9-176.973.4-174.34114.1P364 L379 C380 R385 E386 C388P364-R383 PolarHBondContact O-NH2 3.22Å; L379-R383 WeakPolarHBondContact O-CB 3.46Å; L379-R383 WeakPolarHBondContact O-CG 3.5Å; L379-R383 PolarHBondContact O-N 3.09Å; C380-R383 CarbonylContact O-C 3.18Å; C380-R383 WeakPolarHBondContact O-CA 3.39Å; C380-R383 PolarHBondContact O-N 3.21Å; C380-R383 VanDerWaalsContact O-N 3.1Å; R383-R385 PolarHBondContact O-N 3.43Å; R383-R385 VanDerWaalsContact O-N 3.12Å; R383-E386 IonicContact CZ-OE2 3.23Å; R383-E386 VanDerWaalsContact CZ-OE2 3.23Å; R383-E386 IonicContact NE-OE2 2.8Å; R383-E386 PolarHBondContact NE-OE2 2.8Å; R383-E386 IonicContact NH2-OE2 2.79Å; R383-E386 PolarHBondContact NH2-OE2 3.39Å; R383-E386 CarbonylContact O-C 3.56Å; R383-E386 WeakPolarHBondContact O-CA 3.06Å; R383-E386 WeakPolarHBondContact O-CB 3.04Å; R383-E386 PolarHBondContact O-N 2.03Å; R383-C388 HydrophobicContact CB-CB 3.98Å; R383-C388 PolarHBondContact O-N 3.41Å
384K84.1Confident91.1Very high120 Ų12049.5 Ų49.552%0.52223%0.23SC..G310 helixtrans-58.4-29.7176.5-173.8173.9-175.5169.10112C380 R381 I382 E386 N387C380-K384 PolarHBondContact O-N 3.3Å; R381-K384 VanDerWaalsContact O-CB 3.3Å; R381-K384 WeakPolarHBondContact O-CB 3.47Å; R381-K384 PolarHBondContact O-N 2.83Å; I382-K384 PolarHBondContact O-N 2.76Å; K384-E386 PolarHBondContact O-N 3.01Å; K384-N387 PolarHBondContact O-N 3.07Å
385R83.2Confident90.7Very high244 Ų24455.3 Ų55.392%0.92126%0.255SS*.G310 helixtrans-65.7-19173.6-69.3-173.7179.2170.41.2113.7R383R383-R385 PolarHBondContact O-N 3.43Å; R383-R385 VanDerWaalsContact O-N 3.12Å
386E86.1Confident90.5Very high103 Ų10356.9 Ų56.948%0.48127%0.272SS..G310 helixtrans-98.816.8174.1-60.8170.7-154.200111.4M363 R383 K384M363-E386 HydrophobicContact CE-CB 3.52Å; M363-E386 WeakPolarHBondContact CE-O 3.21Å; R383-E386 IonicContact CZ-OE2 3.23Å; R383-E386 VanDerWaalsContact CZ-OE2 3.23Å; R383-E386 IonicContact NE-OE2 2.8Å; R383-E386 PolarHBondContact NE-OE2 2.8Å; R383-E386 IonicContact NH2-OE2 2.79Å; R383-E386 PolarHBondContact NH2-OE2 3.39Å; R383-E386 CarbonylContact O-C 3.56Å; R383-E386 WeakPolarHBondContact O-CA 3.06Å; R383-E386 WeakPolarHBondContact O-CB 3.04Å; R383-E386 PolarHBondContact O-N 2.03Å; K384-E386 PolarHBondContact O-N 3.01Å
387N86.6Confident90.3Very high106 Ų10662.2 Ų62.257%0.56730%0.295SS*.THydrogen-bonded Turntrans69.621.3-177.9-54.1-33.4000116.2K384 T389 E403K384-N387 PolarHBondContact O-N 3.07Å; N387-T389 PolarHBondContact O-N 3.2Å; N387-E403 HydrophobicContact CB-CB 4.33Å; N387-E403 VanDerWaalsContact O-CB 3.23Å; N387-E403 WeakPolarHBondContact O-CB 3.38Å
388C91.6Very high90.2Very high7 Ų766.4 Ų66.45%0.04732%0.315CS..  trans-65121.1171.1-1660000111.1M363 C380 R383 A390M363-C388 HydrophobicContact CE-CB 4.26Å; M363-C388 VanDerWaalsContact SD-CA 3.56Å; M363-C388 HydrophobicContact SD-CB 3.49Å; M363-C388 WeakPolarHBondContact SD-CB 3.47Å; C380-C388 WeakPolarHBondContact CA-SG 3.38Å; C380-C388 HydrophobicContact CB-CB 4.08Å; C380-C388 WeakPolarHBondContact CB-SG 3.47Å; C380-C388 WeakPolarHBondContact O-CB 3.47Å; C380-C388 WeakPolarHBondContact SG-CB 3.43Å; C380-C388 CovalentContact SG-SG 2.03Å; C380-C388 PolarHBondContact SG-SG 3.16Å; R383-C388 HydrophobicContact CB-CB 3.98Å; R383-C388 PolarHBondContact O-N 3.41Å; C388-A390 PolarHBondContact SG-O 2.88Å; C388-A390 VanDerWaalsContact SG-O 3.38Å
389T88.9Confident90.3Very high42 Ų4266 Ų6626%0.25831%0.314SS..  trans-117.3-25.5179.354.30000112.3N387 M402 V404 N420 L421N387-T389 PolarHBondContact O-N 3.2Å; T389-M402 PolarHBondContact N-O 2.97Å; T389-M402 PolarHBondContact OG1-O 3.01Å; T389-V404 HydrophobicContact CG2-CG2 4.06Å; T389-V404 PolarHBondContact OG1-N 2.71Å; T389-N420 PolarHBondContact O-OD1 3.37Å; T389-N420 VanDerWaalsContact O-OD1 3.13Å; T389-L421 WeakPolarHBondContact O-CB 3.41Å; T389-L421 PolarHBondContact O-N 3.22Å
390A91.8Very high90.3Very high0 Ų064.1 Ų64.10%030%0.304CS..EExtended strand (participates in β ladder)trans-145.2168.2-178.100000111.2C380 C388 M402 F418 M419 N420C380-A390 PolarHBondContact SG-O 2.79Å; C388-A390 PolarHBondContact SG-O 2.88Å; C388-A390 VanDerWaalsContact SG-O 3.38Å; A390-M402 HydrophobicContact CB-CB 4.03Å; A390-M402 PolarHBondContact N-O 3.5Å; A390-M402 VanDerWaalsContact N-O 3.14Å; A390-M402 WeakPolarHBondContact O-CA 3.24Å; A390-M402 WeakPolarHBondContact O-CB 3.36Å; A390-M402 PolarHBondContact O-N 2.69Å; A390-F418 HydrophobicContact CB-CE1 4.1Å; A390-F418 HydrophobicContact CB-CE2 3.67Å; A390-F418 HydrophobicContact CB-CZ 3.36Å; A390-M419 CarbonylContact C-O 3.6Å; A390-M419 VanDerWaalsContact CA-O 3.23Å; A390-M419 WeakPolarHBondContact CA-O 3.4Å; A390-M419 WeakPolarHBondContact CB-O 3.24Å; A390-N420 HydrophobicContact CB-CB 4.19Å
391V93.7Very high90.3Very high0 Ų064.6 Ų64.60%031%0.308CS..EExtended strand (participates in β ladder)trans-134.3152.2174.4-62.90000111.8C376 L377 C380 T400 F418 M419C376-V391 HydrophobicContact CB-CG2 4.42Å; C376-V391 WeakPolarHBondContact SG-CB 3.48Å; C376-V391 VanDerWaalsContact SG-CG2 3.6Å; L377-V391 HydrophobicContact CD2-CG2 3.88Å; L377-V391 HydrophobicContact CG-CG2 4.43Å; C380-V391 HydrophobicContact CB-CG1 3.32Å; V391-T400 CarbonylContact C-O 3.54Å; V391-T400 VanDerWaalsContact CA-O 3.24Å; V391-T400 WeakPolarHBondContact CA-O 3.48Å; V391-F418 WeakPolarHBondContact O-CA 3.43Å; V391-M419 HydrophobicContact CG2-CB 3.83Å; V391-M419 HydrophobicContact CG2-CE 3.74Å; V391-M419 PolarHBondContact N-O 3.08Å; V391-M419 PolarHBondContact O-N 2.95Å
392V92.4Very high90.2Very high7 Ų762.2 Ų62.24%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-110.7117.6165.5178.40000107.7T400 M402 V413 K416 A417 F418V392-T400 PolarHBondContact N-O 3.09Å; V392-T400 PolarHBondContact O-N 2.89Å; V392-M402 HydrophobicContact CG2-CE 4.26Å; V392-M402 HydrophobicContact CG2-CG 3.94Å; V392-M402 HydrophobicContact CG2-SD 3.87Å; V392-V413 HydrophobicContact CG1-CG1 4.2Å; V392-V413 HydrophobicContact CG2-CG1 3.88Å; V392-K416 HydrophobicContact CG1-CB 3.52Å; V392-K416 HydrophobicContact CG1-CD 3.39Å; V392-K416 HydrophobicContact CG1-CG 4.06Å; V392-A417 WeakPolarHBondContact CA-O 3.3Å; V392-F418 HydrophobicContact CG2-CD2 3.73Å
393Y92.1Very high90Very high33 Ų3358.6 Ų58.613%0.12928%0.28CS..EExtended strand (participates in β ladder)trans-105.1122.9175.8-179.1-116000110.4V370 E373 C376 E398 K416 A417 M419V370-Y393 HydrophobicContact CG2-CD2 3.9Å; V370-Y393 HydrophobicContact CG2-CE2 3.6Å; E373-Y393 HydrophobicContact CB-CD1 3.83Å; E373-Y393 HydrophobicContact CB-CE1 4.1Å; E373-Y393 HydrophobicContact CB-CG 4.2Å; C376-Y393 HydrophobicContact CB-CD2 4.19Å; Y393-E398 WeakPolarHBondContact CA-O 3.2Å; Y393-K416 CarbonylContact O-C 3.54Å; Y393-K416 WeakPolarHBondContact O-CA 3.25Å; Y393-A417 PolarHBondContact N-O 3.28Å; Y393-A417 PolarHBondContact O-N 3.39Å; Y393-M419 HydrophobicContact CG-CE 4.41Å
394S89.8Confident89.4Confident11 Ų1159.6 Ų59.68%0.07729%0.293CS..EExtended strand (participates in β ladder)trans-95.6158.1-178.1840000112.4A396 K397 E398S394-A396 PolarHBondContact O-N 2.93Å; S394-A396 VanDerWaalsContact O-N 3.15Å; S394-A396 PolarHBondContact OG-N 3.47Å; S394-K397 PolarHBondContact O-N 3.16Å; S394-E398 PolarHBondContact N-O 2.95Å; S394-E398 WeakPolarHBondContact OG-CB 3.47Å; S394-E398 PolarHBondContact OG-N 2.87Å
395Q85.2Confident88.6Confident161 Ų16154.9 Ų54.975%0.75227%0.274SS*.THydrogen-bonded Turntrans-61.3-19.6169.9-67.3-176.30.200113.2K397Q395-K397 PolarHBondContact O-N 3.15Å
396A88.7Confident87.4Confident72 Ų7254.1 Ų54.160%0.59527%0.273SS*.THydrogen-bonded Turntrans-80.17.9173.900000113S394 E398S394-A396 PolarHBondContact O-N 2.93Å; S394-A396 VanDerWaalsContact O-N 3.15Å; S394-A396 PolarHBondContact OG-N 3.47Å; A396-E398 VanDerWaalsContact C-N 3.3Å; A396-E398 HydrophobicContact CB-CG 4.31Å; A396-E398 PolarHBondContact O-N 3.48Å
397K91.5Very high86Confident112 Ų11257.3 Ų57.349%0.48728%0.281SS..SBendtrans64.732.8-178.7-66.7-160.5174.9-149.30113.4P369 V370 D371 S394 Q395P369-K397 CarbonylContact C-O 3.59Å; P369-K397 WeakPolarHBondContact CA-O 3.13Å; V370-K397 PolarHBondContact N-O 2.84Å; V370-K397 VanDerWaalsContact O-CB 3.3Å; V370-K397 WeakPolarHBondContact O-CB 3.42Å; V370-K397 VanDerWaalsContact O-O 3.1Å; D371-K397 PolarHBondContact O-NZ 3.13Å; S394-K397 PolarHBondContact O-N 3.16Å; Q395-K397 PolarHBondContact O-N 3.15Å
398E93.6Very high84.5Confident88 Ų8858.2 Ų58.241%0.41129%0.285SS..EExtended strand (participates in β ladder)trans-104.1139.9175.9-59.1171.8146.700110P367 Y393 S394 A396P367-E398 HydrophobicContact CB-CB 3.91Å; Y393-E398 WeakPolarHBondContact CA-O 3.2Å; S394-E398 PolarHBondContact N-O 2.95Å; S394-E398 WeakPolarHBondContact OG-CB 3.47Å; S394-E398 PolarHBondContact OG-N 2.87Å; A396-E398 VanDerWaalsContact C-N 3.3Å; A396-E398 HydrophobicContact CB-CG 4.31Å; A396-E398 PolarHBondContact O-N 3.48Å
399C95Very high83.1Confident5 Ų562.9 Ų62.93%0.03431%0.309CS..EExtended strand (participates in β ladder)trans-115.2122.7179.1-174.90000110.2P367 V368 V370 C376 L379P367-C399 WeakPolarHBondContact CA-O 3.34Å; V368-C399 PolarHBondContact N-O 2.75Å; V368-C399 PolarHBondContact O-N 3.47Å; V370-C399 HydrophobicContact CB-CB 4.41Å; V370-C399 HydrophobicContact CG1-CB 3.75Å; V370-C399 HydrophobicContact CG2-CB 3.72Å; C376-C399 WeakPolarHBondContact CA-SG 3.41Å; C376-C399 HydrophobicContact CB-CB 3.77Å; C376-C399 WeakPolarHBondContact CB-SG 3.27Å; C376-C399 VanDerWaalsContact SG-CA 3.56Å; C376-C399 WeakPolarHBondContact SG-CB 3.33Å; C376-C399 CovalentContact SG-SG 2.03Å; C376-C399 PolarHBondContact SG-SG 3.23Å; L379-C399 HydrophobicContact CD1-CB 4.23Å
400T94.1Very high82.3Confident14 Ų1464.1 Ų64.19%0.08632%0.318CS..EExtended strand (participates in β ladder)trans-110.8124.2173.2-54.30000109.2Q362 V391 V392 M402Q362-T400 HydrophobicContact CB-CG2 4.08Å; Q362-T400 HydrophobicContact CG-CG2 3.46Å; Q362-T400 VanDerWaalsContact CG-CG2 3.46Å; V391-T400 CarbonylContact C-O 3.54Å; V391-T400 VanDerWaalsContact CA-O 3.24Å; V391-T400 WeakPolarHBondContact CA-O 3.48Å; V392-T400 PolarHBondContact N-O 3.09Å; V392-T400 PolarHBondContact O-N 2.89Å; T400-M402 HydrophobicContact CG2-SD 3.87Å
401A93.8Very high81.4Confident10 Ų1066 Ų668%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-79.5137175.100000110.6M363M363-A401 HydrophobicContact CB-CB 4.37Å; M363-A401 WeakPolarHBondContact CB-O 2.88Å; M363-A401 HydrophobicContact CG-CB 4.4Å; M363-A401 PolarHBondContact N-O 2.04Å; M363-A401 HydrophobicContact SD-CB 3.71Å
402M90.7Very high80.7Confident4 Ų470.6 Ų70.62%0.0235%0.352CS..EExtended strand (participates in β ladder)trans-124.8142.3-174.8-49.1-63.7-71.300109.9W360 K361 Q362 T389 A390 V392 T400 I411 F418W360-M402 HydrophobicContact CB-CE 4.2Å; K361-M402 WeakPolarHBondContact O-CA 3.36Å; Q362-M402 HydrophobicContact CB-CE 4.48Å; Q362-M402 HydrophobicContact CB-SD 4.11Å; T389-M402 PolarHBondContact N-O 2.97Å; T389-M402 PolarHBondContact OG1-O 3.01Å; A390-M402 HydrophobicContact CB-CB 4.03Å; A390-M402 PolarHBondContact N-O 3.5Å; A390-M402 VanDerWaalsContact N-O 3.14Å; A390-M402 WeakPolarHBondContact O-CA 3.24Å; A390-M402 WeakPolarHBondContact O-CB 3.36Å; A390-M402 PolarHBondContact O-N 2.69Å; V392-M402 HydrophobicContact CG2-CE 4.26Å; V392-M402 HydrophobicContact CG2-CG 3.94Å; V392-M402 HydrophobicContact CG2-SD 3.87Å; T400-M402 HydrophobicContact CG2-SD 3.87Å; M402-I411 HydrophobicContact CE-CD1 3.21Å; M402-I411 HydrophobicContact CE-CG1 4.25Å; M402-I411 HydrophobicContact CE-CG2 4.32Å; M402-F418 HydrophobicContact CB-CE2 4.45Å; M402-F418 HydrophobicContact CG-CE2 4.16Å
403E87.6Confident80Confident29 Ų2970.4 Ų70.414%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-118.7151.9170.965177.2170.300110.1W360 K361 M363 N387W360-E403 WeakPolarHBondContact CA-O 3.39Å; K361-E403 HydrophobicContact CD-CG 4.39Å; K361-E403 WeakPolarHBondContact CE-OE1 3.28Å; K361-E403 HydrophobicContact CG-CG 3.77Å; K361-E403 PolarHBondContact N-O 2.83Å; K361-E403 IonicContact NZ-OE1 2.74Å; K361-E403 PolarHBondContact NZ-OE1 2.82Å; K361-E403 PolarHBondContact O-N 2.8Å; M363-E403 HydrophobicContact CG-CB 3.94Å; M363-E403 HydrophobicContact CG-CG 3.97Å; M363-E403 HydrophobicContact SD-CB 4.44Å; N387-E403 HydrophobicContact CB-CB 4.33Å; N387-E403 VanDerWaalsContact O-CB 3.23Å; N387-E403 WeakPolarHBondContact O-CB 3.38Å
404V76.3Confident79Confident84 Ų8472.3 Ų72.351%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-61.5139.6172.9175.80000109.4G359 T389G359-V404 WeakPolarHBondContact O-CA 3.33Å; T389-V404 HydrophobicContact CG2-CG2 4.06Å; T389-V404 PolarHBondContact OG1-N 2.71Å
405T67.9Low78.2Confident21 Ų2181.6 Ų81.613%0.12940%0.4CS..  trans-135.5152.5172.7-167.80000110.6G359 W360 K361 R407G359-T405 CarbonylContact C-O 3.59Å; G359-T405 WeakPolarHBondContact CA-O 3.34Å; G359-T405 PolarHBondContact O-N 2.78Å; G359-T405 VanDerWaalsContact O-O 3.12Å; W360-T405 VanDerWaalsContact C-CG2 3.44Å; W360-T405 WeakPolarHBondContact O-CG2 3.36Å; K361-T405 HydrophobicContact CB-CG2 4Å; K361-T405 HydrophobicContact CD-CG2 4.37Å; K361-T405 HydrophobicContact CG-CG2 4.14Å; T405-R407 HydrophobicContact CG2-CB 4.01Å; T405-R407 WeakPolarHBondContact CG2-O 3.35Å; T405-R407 PolarHBondContact OG1-N 2.8Å
406Y58.2Low78.1Confident227 Ų22778.4 Ų78.489%0.8938%0.383SS*.SBendtrans-83.4-2.4171.1-57.1-72.5000112.4
407R57.1Low77.9Confident171 Ų17176.5 Ų76.565%0.64537%0.368SS*.  trans-77.1139.5173.5-63.1-169.6-175.3-169.90.6110.1T405T405-R407 HydrophobicContact CG2-CB 4.01Å; T405-R407 WeakPolarHBondContact CG2-O 3.35Å; T405-R407 PolarHBondContact OG1-N 2.8Å
408L53.7Low77.7Confident124 Ų12471.1 Ų71.165%0.64934%0.344SS*.  trans-97.313.7-177.7-64.3171.9000112.4Y358 P410Y358-L408 WeakPolarHBondContact CD1-O 3.24Å; L408-P410 WeakPolarHBondContact O-CD 3.27Å
409D62.8Low77.5Confident106 Ų10667 Ų6757%0.56733%0.325SS*.PPolyproline II helixtrans-64.7121.3176.6-53.4-36.1000109
410P71.7Confident77.1Confident68 Ų6867.8 Ų67.844%0.44233%0.329SS..PPolyproline II helixtrans-71.6137.4-177.326.8-32.5000111.3L356 L357 Y358 L408L356-P410 HydrophobicContact CB-CB 4.37Å; L356-P410 HydrophobicContact CD2-CB 4.31Å; L357-P410 CarbonylContact O-C 3.56Å; L357-P410 WeakPolarHBondContact O-CA 3.25Å; Y358-P410 HydrophobicContact CD1-CB 4.16Å; Y358-P410 HydrophobicContact CE1-CB 3.68Å; Y358-P410 HydrophobicContact CE1-CG 4.16Å; L408-P410 WeakPolarHBondContact O-CD 3.27Å
411I73.3Confident76.8Confident38 Ų3868.4 Ų68.420%0.19533%0.331CS..EExtended strand (participates in β ladder)trans-95.2125.4170.9-59154.4000109L356 L357 W360 M402 V413L356-I411 WeakPolarHBondContact CA-O 3.27Å; L357-I411 PolarHBondContact N-O 2.86Å; L357-I411 PolarHBondContact O-N 2.9Å; W360-I411 HydrophobicContact CB-CD1 3.69Å; W360-I411 WeakPolarHBondContact O-CD1 3.47Å; M402-I411 HydrophobicContact CE-CD1 3.21Å; M402-I411 HydrophobicContact CE-CG1 4.25Å; M402-I411 HydrophobicContact CE-CG2 4.32Å; I411-V413 HydrophobicContact CG2-CG1 3.96Å; I411-V413 PolarHBondContact O-N 2.82Å
412N78.7Confident76.2Confident97 Ų9772.7 Ų72.752%0.51935%0.351SS..EExtended strand (participates in β ladder)trans-79.5113172.5-169.5-24.3000110.9P355 L356 T414P355-N412 WeakPolarHBondContact O-CA 3.37Å; L356-N412 HydrophobicContact CD2-CB 4.31Å; N412-T414 WeakPolarHBondContact OD1-CB 3.48Å; N412-T414 PolarHBondContact OD1-N 3.18Å; N412-T414 PolarHBondContact OD1-OG1 2.85Å
413V77.4Confident75.7Confident3 Ų378.3 Ų78.32%0.01838%0.377CS..  trans-112.521.6176.9-64.20000112.2A354 P355 L357 V392 I411 R415 K416 F418A354-V413 WeakPolarHBondContact O-CG2 3.21Å; P355-V413 PolarHBondContact O-N 2.79Å; L357-V413 HydrophobicContact CD1-CB 4.33Å; L357-V413 HydrophobicContact CD1-CG1 3.83Å; L357-V413 HydrophobicContact CD1-CG2 3.63Å; L357-V413 HydrophobicContact CG-CG2 3.87Å; V392-V413 HydrophobicContact CG1-CG1 4.2Å; V392-V413 HydrophobicContact CG2-CG1 3.88Å; I411-V413 HydrophobicContact CG2-CG1 3.96Å; I411-V413 PolarHBondContact O-N 2.82Å; V413-R415 PolarHBondContact O-N 3.06Å; V413-K416 HydrophobicContact CB-CB 4.34Å; V413-K416 WeakPolarHBondContact O-CA 3.25Å; V413-K416 WeakPolarHBondContact O-CB 3.25Å; V413-K416 PolarHBondContact O-N 2.95Å; V413-K416 VanDerWaalsContact O-O 3.12Å; V413-F418 HydrophobicContact CG1-CB 4.43Å
414T72Confident75.4Confident74 Ų7478 Ų7845%0.45438%0.378SS..THydrogen-bonded Turntrans-54.6124.6178.6-53.90000110.6N412 K416N412-T414 WeakPolarHBondContact OD1-CB 3.48Å; N412-T414 PolarHBondContact OD1-N 3.18Å; N412-T414 PolarHBondContact OD1-OG1 2.85Å; T414-K416 VanDerWaalsContact C-N 3.26Å; T414-K416 PolarHBondContact O-N 3.38Å
415R71.9Confident75.6Confident206 Ų20680.9 Ų80.978%0.77738%0.38SS*.THydrogen-bonded Turntrans63.323.6-173.7-52179.4-176.4-1700.1115V413V413-R415 PolarHBondContact O-N 3.06Å
416K83.8Confident76.4Confident93 Ų9390.1 Ų90.140%0.40441%0.412SS..EExtended strand (participates in β ladder)trans-124.9149.5171.2-51.3-177.3-175176.90108.6V392 Y393 V413 T414V392-K416 HydrophobicContact CG1-CB 3.52Å; V392-K416 HydrophobicContact CG1-CD 3.39Å; V392-K416 HydrophobicContact CG1-CG 4.06Å; Y393-K416 CarbonylContact O-C 3.54Å; Y393-K416 WeakPolarHBondContact O-CA 3.25Å; V413-K416 HydrophobicContact CB-CB 4.34Å; V413-K416 WeakPolarHBondContact O-CA 3.25Å; V413-K416 WeakPolarHBondContact O-CB 3.25Å; V413-K416 PolarHBondContact O-N 2.95Å; V413-K416 VanDerWaalsContact O-O 3.12Å; T414-K416 VanDerWaalsContact C-N 3.26Å; T414-K416 PolarHBondContact O-N 3.38Å
417A84.8Confident77.6Confident32 Ų3280 Ų8026%0.26438%0.377SS..EExtended strand (participates in β ladder)trans-91.6119.8171.500000108.3V392 Y393V392-A417 WeakPolarHBondContact CA-O 3.3Å; Y393-A417 PolarHBondContact N-O 3.28Å; Y393-A417 PolarHBondContact O-N 3.39Å
418F87.9Confident78.6Confident0 Ų075.2 Ų75.20%037%0.367CS..EExtended strand (participates in β ladder)trans-94.1129.1169.1177.3-88.9000109.5V351 H352 L357 W360 A390 V391 V392 M402 V413 N420V351-F418 WeakPolarHBondContact CA-O 3.33Å; H352-F418 HydrophobicContact CB-CB 4.34Å; H352-F418 HydrophobicContact CB-CD1 3.95Å; H352-F418 AromaticContact CD2-CD1 3.36Å; H352-F418 WeakPolarHBondContact CD2-CD1 3.38Å; H352-F418 AromaticContact CD2-CE1 3.61Å; H352-F418 AromaticContact CG-CD1 3.75Å; H352-F418 PolarHBondContact N-O 3.04Å; H352-F418 AromaticContact NE2-CE1 3.86Å; L357-F418 HydrophobicContact CD1-CB 3.3Å; L357-F418 HydrophobicContact CD1-CD1 3.55Å; L357-F418 HydrophobicContact CD1-CD2 3.36Å; L357-F418 HydrophobicContact CD1-CE1 4.14Å; L357-F418 HydrophobicContact CD1-CE2 4Å; L357-F418 HydrophobicContact CD1-CG 3.11Å; L357-F418 HydrophobicContact CD1-CZ 4.35Å; W360-F418 HydrophobicContact CB-CE2 4.34Å; W360-F418 HydrophobicContact CB-CZ 4.48Å; W360-F418 AromaticContact CD1-CZ 3.88Å; W360-F418 HydrophobicContact CD2-CE1 4.27Å; W360-F418 HydrophobicContact CD2-CE2 4.14Å; W360-F418 AromaticContact CD2-CZ 3.45Å; W360-F418 HydrophobicContact CD2-CZ 3.45Å; W360-F418 VanDerWaalsContact CD2-CZ 3.45Å; W360-F418 AromaticContact CE2-CZ 3.57Å; W360-F418 HydrophobicContact CE3-CE1 4.41Å; W360-F418 AromaticContact CE3-CZ 3.89Å; W360-F418 HydrophobicContact CE3-CZ 3.89Å; W360-F418 HydrophobicContact CG-CE2 4.01Å; W360-F418 AromaticContact CG-CZ 3.69Å; W360-F418 HydrophobicContact CG-CZ 3.69Å; W360-F418 HydrophobicContact CH2-CE1 4.43Å; W360-F418 HydrophobicContact CZ2-CE1 4.25Å; W360-F418 HydrophobicContact CZ2-CZ 4.12Å; W360-F418 HydrophobicContact CZ3-CE1 4.49Å; W360-F418 HydrophobicContact CZ3-CZ 4.4Å; W360-F418 AromaticContact NE1-CZ 3.78Å; A390-F418 HydrophobicContact CB-CE1 4.1Å; A390-F418 HydrophobicContact CB-CE2 3.67Å; A390-F418 HydrophobicContact CB-CZ 3.36Å; V391-F418 WeakPolarHBondContact O-CA 3.43Å; V392-F418 HydrophobicContact CG2-CD2 3.73Å; M402-F418 HydrophobicContact CB-CE2 4.45Å; M402-F418 HydrophobicContact CG-CE2 4.16Å; V413-F418 HydrophobicContact CG1-CB 4.43Å; F418-N420 HydrophobicContact CE1-CB 3.95Å
419M89.7Confident79.7Confident1 Ų174.6 Ų74.61%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-131.3111.3-173.6-67.4-179-78.900109.8V349 E350 V351 E373 L377 A390 V391 Y393V349-M419 HydrophobicContact CG1-CB 3.61Å; V349-M419 HydrophobicContact CG1-CG 4.11Å; E350-M419 CarbonylContact O-C 3.56Å; E350-M419 WeakPolarHBondContact O-CA 3.41Å; V351-M419 HydrophobicContact CG1-CG 4.45Å; V351-M419 HydrophobicContact CG2-CG 4.1Å; E373-M419 HydrophobicContact CB-CE 3.68Å; E373-M419 HydrophobicContact CB-SD 4.13Å; L377-M419 HydrophobicContact CD1-SD 4.23Å; L377-M419 HydrophobicContact CD2-CB 3.97Å; L377-M419 HydrophobicContact CD2-SD 4.33Å; L377-M419 HydrophobicContact CG-SD 4.32Å; A390-M419 CarbonylContact C-O 3.6Å; A390-M419 VanDerWaalsContact CA-O 3.23Å; A390-M419 WeakPolarHBondContact CA-O 3.4Å; A390-M419 WeakPolarHBondContact CB-O 3.24Å; V391-M419 HydrophobicContact CG2-CB 3.83Å; V391-M419 HydrophobicContact CG2-CE 3.74Å; V391-M419 PolarHBondContact N-O 3.08Å; V391-M419 PolarHBondContact O-N 2.95Å; Y393-M419 HydrophobicContact CG-CE 4.41Å
420N86.6Confident80.2Confident22 Ų2274.5 Ų74.512%0.11837%0.367CS..EExtended strand (participates in β ladder)trans-91.5124177.2-178.327.6000110.2V349 E350 T389 A390 F418 M422V349-N420 VanDerWaalsContact CA-O 3.32Å; V349-N420 WeakPolarHBondContact CA-O 3.49Å; E350-N420 HydrophobicContact CB-CB 4.24Å; E350-N420 PolarHBondContact N-O 3.41Å; E350-N420 PolarHBondContact O-N 2.9Å; E350-N420 PolarHBondContact OE2-ND2 2.89Å; T389-N420 PolarHBondContact O-OD1 3.37Å; T389-N420 VanDerWaalsContact O-OD1 3.13Å; A390-N420 HydrophobicContact CB-CB 4.19Å; F418-N420 HydrophobicContact CE1-CB 3.95Å; N420-M422 PolarHBondContact ND2-SD 3.2Å; N420-M422 PolarHBondContact O-N 2.89Å
421L86.9Confident80.1Confident26 Ų2673.9 Ų73.914%0.13636%0.36CS..EExtended strand (participates in β ladder)trans-81.6105.9178.2-79.4119.3000109.9C347 L377 C380 T389C347-L421 HydrophobicContact CB-CD2 4.1Å; L377-L421 HydrophobicContact CD2-CD1 3.8Å; L377-L421 HydrophobicContact CD2-CD2 4.27Å; L377-L421 HydrophobicContact CD2-CG 3.85Å; C380-L421 HydrophobicContact CB-CD1 3.65Å; C380-L421 WeakPolarHBondContact SG-CD1 3.34Å; T389-L421 WeakPolarHBondContact O-CB 3.41Å; T389-L421 PolarHBondContact O-N 3.22Å
422M80.4Confident79.9Confident100 Ų10073.8 Ų73.849%0.49336%0.361SS..EExtended strand (participates in β ladder)trans-78.4-58.6-178.8-58.5-62.1-7400111.2K348 E350 N420K348-M422 HydrophobicContact CB-CB 4.43Å; K348-M422 WeakPolarHBondContact O-CB 3.44Å; K348-M422 PolarHBondContact O-N 3.5Å; E350-M422 HydrophobicContact CB-CG 4.21Å; E350-M422 HydrophobicContact CB-SD 4.26Å; N420-M422 PolarHBondContact ND2-SD 3.2Å; N420-M422 PolarHBondContact O-N 2.89Å
423Q80.3Confident78.6Confident123 Ų12376.4 Ų76.458%0.57537%0.374SS*.EExtended strand (participates in β ladder)trans-152.2143.3-176.1-170.5-179.434.200109.7C347 K348C347-Q423 CarbonylContact C-O 3.57Å; C347-Q423 WeakPolarHBondContact CA-O 3.25Å; K348-Q423 PolarHBondContact N-O 3.03Å; K348-Q423 PolarHBondContact O-N 3.22Å
424C81.6Confident76.6Confident23 Ų2381.3 Ų81.316%0.15542%0.415CS..EExtended strand (participates in β ladder)trans-128.4140.3172.1-57.70000109.4E345 V346 C347E345-C424 WeakPolarHBondContact OE2-CB 3.25Å; V346-C424 WeakPolarHBondContact O-CA 3.32Å; C347-C424 HydrophobicContact CB-CB 4.11Å; C347-C424 WeakPolarHBondContact CB-SG 3.48Å; C347-C424 WeakPolarHBondContact SG-CB 3.49Å; C347-C424 CovalentContact SG-SG 2.03Å; C347-C424 PolarHBondContact SG-SG 2.98Å
425R81.8Confident76.9Confident144 Ų14481.7 Ų81.754%0.54341%0.413SS..EExtended strand (participates in β ladder)trans-134.8155174.264.8-177.8-172.4177.54.1109.3E345 V346 G427E345-R425 CarbonylContact C-O 3.53Å; E345-R425 WeakPolarHBondContact CA-O 3.46Å; E345-R425 WeakPolarHBondContact CB-O 3.41Å; V346-R425 PolarHBondContact N-O 2.94Å; V346-R425 PolarHBondContact O-N 2.73Å; R425-G427 PolarHBondContact O-N 3.12Å
426R84.6Confident77.1Confident214 Ų21475.1 Ų75.181%0.80839%0.394SS*.EExtended strand (participates in β ladder)trans-58.4139.6169.7-74.4-173.1176.5170.8-2110.2E344 E345E344-R426 VanDerWaalsContact O-CA 3.32Å; E344-R426 WeakPolarHBondContact O-CA 3.36Å; E345-R426 HydrophobicContact CG-CG 4.4Å
427G81.7Confident76.7Confident15 Ų1574.1 Ų74.116%0.15539%0.393CS..  trans-176.4-175.8-177.100000111.4Y339 E344 R425 D431Y339-G427 WeakPolarHBondContact CE2-O 3.26Å; E344-G427 CarbonylContact C-O 3.49Å; E344-G427 PolarHBondContact O-N 3.19Å; E344-G427 VanDerWaalsContact O-O 3.1Å; R425-G427 PolarHBondContact O-N 3.12Å; G427-D431 WeakPolarHBondContact CA-OD2 3.47Å
428T78.2Confident76.3Confident70 Ų7076.6 Ų76.643%0.42940%0.401SS..  trans-122.2170.5-179.967.10000109.5V346 V430 D431V346-T428 WeakPolarHBondContact CG2-O 3.34Å; T428-V430 PolarHBondContact O-N 3.32Å; T428-V430 VanDerWaalsContact O-N 3.13Å; T428-V430 PolarHBondContact OG1-N 2.93Å; T428-D431 PolarHBondContact N-OD2 3.24Å; T428-D431 WeakPolarHBondContact O-CB 3.31Å; T428-D431 PolarHBondContact O-N 2.9Å; T428-D431 PolarHBondContact OG1-OD2 2.71Å
429L76.9Confident75.5Confident112 Ų11281.4 Ų81.459%0.58643%0.426SS*.G310 helixtrans-56.2-28.4174-174.763.1000112.9Y339 D431 T432Y339-L429 HydrophobicContact CD1-CB 3.88Å; Y339-L429 HydrophobicContact CD1-CD1 3.99Å; Y339-L429 HydrophobicContact CE1-CB 4.24Å; Y339-L429 HydrophobicContact CG-CB 4.23Å; Y339-L429 HydrophobicContact CG-CD1 4.26Å; L429-D431 PolarHBondContact O-N 3.05Å; L429-T432 PolarHBondContact O-N 3.01Å; L429-T432 PolarHBondContact O-OG1 3.11Å
430V74.3Confident74.6Confident104 Ų10486.7 Ų86.763%0.6345%0.454SS*.G310 helixtrans-67.3-30.1179-175.10000111.3T428 T432 L433T428-V430 PolarHBondContact O-N 3.32Å; T428-V430 VanDerWaalsContact O-N 3.13Å; T428-V430 PolarHBondContact OG1-N 2.93Å; V430-T432 PolarHBondContact O-N 2.77Å; V430-T432 VanDerWaalsContact O-N 3.11Å; V430-L433 PolarHBondContact O-N 3.41Å
431D69.7Low73.7Confident55 Ų5591.4 Ų91.429%0.29448%0.478SS..G310 helixtrans-72.4-1.3-179.6-59.6-64.2000113.3V346 G427 T428 L429V346-D431 HydrophobicContact CG2-CB 3.99Å; G427-D431 WeakPolarHBondContact CA-OD2 3.47Å; T428-D431 PolarHBondContact N-OD2 3.24Å; T428-D431 WeakPolarHBondContact O-CB 3.31Å; T428-D431 PolarHBondContact O-N 2.9Å; T428-D431 PolarHBondContact OG1-OD2 2.71Å; L429-D431 PolarHBondContact O-N 3.05Å
432T68.1Low72.7Confident36 Ų3696.4 Ų96.422%0.22150%0.504CS..G310 helixtrans-89.1-10.8169.570.70000113.3K337 V346 L429 V430K337-T432 HydrophobicContact CB-CG2 4.17Å; V346-T432 HydrophobicContact CG1-CG2 4.04Å; V346-T432 HydrophobicContact CG2-CG2 4.18Å; L429-T432 PolarHBondContact O-N 3.01Å; L429-T432 PolarHBondContact O-OG1 3.11Å; V430-T432 PolarHBondContact O-N 2.77Å; V430-T432 VanDerWaalsContact O-N 3.11Å
433L51.5Low72.1Confident152 Ų15296.1 Ų96.180%0.79651%0.505SS*.THydrogen-bonded Turntrans-101-23.2-175.9-61.7176000113.9V430V430-L433 PolarHBondContact O-N 3.41Å
434A36.5Very low71.4Confident105 Ų10593.6 Ų93.687%0.86850%0.499SS*.  trans-85.50159.900000108.4K337K337-A434 WeakPolarHBondContact CD-OXT 3.43Å; K337-A434 PolarHBondContact NZ-O 3.42Å; K337-A434 PolarHBondContact NZ-OXT 3.09Å

Retrieved 434 of 434 residues in 164 ms (Link to these results)

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