A0A087Y806_POEFO Loading...

Endosome-lysosome associated apoptosis and autophagy regulator 1

AlphaFold DB , UniProt , Accession A0A087Y806, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 955 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
1Q46.7Very low73.1Confident193 Ų19388.2 Ų88.290%0.90245%0.446SS*.  014.20-153.6175.48.300111.6D3Q1-D3 PolarHBondContact N-OD2 3.23Å
2S57.2Low73.5Confident91 Ų9186.7 Ų86.764%0.63644%0.44SS*.  trans-108.43.8-18035.50000112.3N24S2-N24 PolarHBondContact O-ND2 2.65Å
3D70.1Confident73.6Confident77 Ų7791.9 Ų91.941%0.41248%0.478SS..SBendtrans-114.2-18.5-145.1-37.9-65.2000111.4Q1 P23 N24Q1-D3 PolarHBondContact N-OD2 3.23Å; D3-P23 WeakPolarHBondContact O-CA 3.31Å; D3-N24 PolarHBondContact O-N 2.96Å
4Y76Confident73.8Confident77 Ų7795.7 Ų95.730%0.30250%0.498SS..EExtended strand (participates in β ladder)trans-149159.2171.459.2-96.1000110.5F6 A21 I22 N24 L32 P33Y4-F6 HydrophobicContact CD2-CZ 4.46Å; Y4-F6 HydrophobicContact CE2-CE1 4.38Å; Y4-F6 AromaticContact CE2-CE2 3.89Å; Y4-F6 HydrophobicContact CE2-CE2 3.89Å; Y4-F6 AromaticContact CE2-CZ 3.75Å; Y4-F6 HydrophobicContact CE2-CZ 3.75Å; Y4-A21 HydrophobicContact CD2-CB 3.78Å; Y4-A21 HydrophobicContact CE2-CB 4.24Å; Y4-A21 HydrophobicContact CG-CB 4.23Å; Y4-I22 CarbonylContact C-O 3.5Å; Y4-I22 WeakPolarHBondContact CA-O 3.43Å; Y4-I22 VanDerWaalsContact CB-O 3.23Å; Y4-I22 WeakPolarHBondContact CB-O 3.49Å; Y4-N24 PolarHBondContact N-ND2 3.38Å; Y4-L32 HydrophobicContact CD1-CD2 3.59Å; Y4-L32 HydrophobicContact CE1-CD2 4.45Å; Y4-L32 HydrophobicContact CG-CD2 3.76Å; Y4-P33 HydrophobicContact CE2-CG 3.91Å
5H80.3Confident73.8Confident77 Ų7791.1 Ų91.136%0.35648%0.484SS..EExtended strand (participates in β ladder)trans-116.5176.5166.160.6-78.6000109.7E7 A21 I22 N24H5-E7 IonicContact NE2-OE1 3.98Å; H5-A21 CarbonylContact O-C 3.5Å; H5-A21 WeakPolarHBondContact O-CA 3.48Å; H5-I22 PolarHBondContact N-O 3.46Å; H5-I22 PolarHBondContact ND1-O 3.36Å; H5-I22 PolarHBondContact O-N 3.1Å; H5-N24 PolarHBondContact N-OD1 2.91Å; H5-N24 PolarHBondContact ND1-OD1 3.44Å
6F83.3Confident74.2Confident38 Ų3886.4 Ų86.417%0.16746%0.461CS..EExtended strand (participates in β ladder)trans-116.3126.9177.4-74.5-71.8000111Y4 R19 V20 A21 P33 M53 Q54Y4-F6 HydrophobicContact CD2-CZ 4.46Å; Y4-F6 HydrophobicContact CE2-CE1 4.38Å; Y4-F6 AromaticContact CE2-CE2 3.89Å; Y4-F6 HydrophobicContact CE2-CE2 3.89Å; Y4-F6 AromaticContact CE2-CZ 3.75Å; Y4-F6 HydrophobicContact CE2-CZ 3.75Å; F6-R19 HydrophobicContact CB-CG 4.17Å; F6-R19 HydrophobicContact CD1-CG 4.05Å; F6-R19 VanDerWaalsContact CE1-CZ 3.5Å; F6-R19 HydrophobicContact CG-CG 4.41Å; F6-V20 WeakPolarHBondContact CA-O 3.07Å; F6-A21 HydrophobicContact CD1-CB 4.1Å; F6-A21 HydrophobicContact CE1-CB 3.86Å; F6-P33 HydrophobicContact CE1-CG 3.89Å; F6-P33 HydrophobicContact CZ-CG 3.82Å; F6-M53 HydrophobicContact CB-CB 3.85Å; F6-M53 HydrophobicContact CB-CE 4.49Å; F6-M53 WeakPolarHBondContact O-CE 3.5Å; F6-Q54 HydrophobicContact CD2-CG 4.33Å; F6-Q54 HydrophobicContact CE2-CG 4.34Å
7E79.8Confident74.8Confident99 Ų9982.1 Ų82.146%0.46344%0.436SS..EExtended strand (participates in β ladder)trans-118.4167.7169.5-64.9-158.7144.700110.9H5 R19 V20 I22 M53H5-E7 IonicContact NE2-OE1 3.98Å; E7-R19 CarbonylContact O-C 3.53Å; E7-R19 WeakPolarHBondContact O-CA 3.42Å; E7-V20 PolarHBondContact N-O 2.84Å; E7-V20 PolarHBondContact O-N 3.4Å; E7-I22 HydrophobicContact CB-CD1 3.87Å; E7-I22 HydrophobicContact CG-CD1 3.8Å; E7-I22 WeakPolarHBondContact OE2-CD1 3.41Å; E7-M53 VanDerWaalsContact C-CE 3.45Å
8Y82.3Confident75.4Confident23 Ų2384.4 Ų84.49%0.0944%0.438CS..EExtended strand (participates in β ladder)trans-98.4144.2163.8-70.8-55.4000110.8R17 W18 R19 T39 L51 M53 Q56 Y217Y8-R17 HydrophobicContact CD1-CG 4.21Å; Y8-R17 VanDerWaalsContact CD2-CZ 3.44Å; Y8-R17 HydrophobicContact CG-CG 4.29Å; Y8-W18 CarbonylContact C-O 3.6Å; Y8-W18 VanDerWaalsContact CA-O 3.28Å; Y8-W18 WeakPolarHBondContact CA-O 3.4Å; Y8-R19 HydrophobicContact CD1-CB 3.85Å; Y8-R19 HydrophobicContact CD1-CG 4.28Å; Y8-R19 HydrophobicContact CE1-CB 3.8Å; Y8-R19 HydrophobicContact CE1-CG 4.19Å; Y8-T39 VanDerWaalsContact CZ-OG1 3.28Å; Y8-T39 PolarHBondContact OH-OG1 3.06Å; Y8-L51 HydrophobicContact CE2-CD2 3.73Å; Y8-M53 HydrophobicContact CD1-CE 4.17Å; Y8-M53 HydrophobicContact CD2-CE 3.78Å; Y8-M53 HydrophobicContact CD2-SD 4.1Å; Y8-M53 HydrophobicContact CE1-CE 4.28Å; Y8-M53 HydrophobicContact CE2-CE 3.88Å; Y8-M53 HydrophobicContact CE2-SD 3.66Å; Y8-M53 HydrophobicContact CG-CE 3.91Å; Y8-Q56 PolarHBondContact OH-OE1 3.12Å; Y8-Y217 AromaticContact CD2-CE1 3.81Å; Y8-Y217 HydrophobicContact CD2-CE1 3.81Å; Y8-Y217 AromaticContact CD2-CZ 3.75Å; Y8-Y217 VanDerWaalsContact CD2-OH 3.31Å; Y8-Y217 WeakPolarHBondContact CD2-OH 3.24Å; Y8-Y217 HydrophobicContact CE2-CE1 4Å
9T80.4Confident76.1Confident56 Ų5681.3 Ų81.334%0.34442%0.42SS..PPolyproline II helixtrans-61.8166.5164.165.90000111.4W18 V20T9-W18 HydrophobicContact CG2-CB 3.97Å; T9-W18 PolarHBondContact N-O 3.5Å; T9-W18 PolarHBondContact OG1-N 3.28Å; T9-V20 HydrophobicContact CG2-CG1 4Å
10E72.7Confident76.6Confident183 Ų18379.1 Ų79.186%0.85541%0.41SS*.PPolyproline II helixtrans-54.5161.6160.1-62.6-162.8133.400112.1
11C75.8Confident77Confident56 Ų5676.1 Ų76.138%0.37840%0.397SS..PPolyproline II helixtrans-82.7131.5-178.3-64.50000111.1S16 C41C11-S16 WeakPolarHBondContact CA-O 3.03Å; C11-C41 HydrophobicContact CB-CB 3.95Å; C11-C41 WeakPolarHBondContact CB-SG 3.41Å; C11-C41 WeakPolarHBondContact SG-CB 3.44Å; C11-C41 CovalentContact SG-SG 2.02Å; C11-C41 PolarHBondContact SG-SG 3.05Å
12D77.9Confident78.7Confident70 Ų7069.6 Ų69.637%0.37437%0.368SS..PPolyproline II helixtrans-72.3169.1166.968.129.9000111.9L14 G15 S16D12-L14 PolarHBondContact O-N 2.76Å; D12-L14 VanDerWaalsContact OD1-C 3.26Å; D12-L14 VanDerWaalsContact OD1-CA 3.29Å; D12-L14 WeakPolarHBondContact OD1-CA 3.47Å; D12-L14 WeakPolarHBondContact OD1-CB 3.34Å; D12-L14 PolarHBondContact OD1-N 2.88Å; D12-G15 PolarHBondContact O-N 2.68Å; D12-G15 PolarHBondContact OD1-N 2.97Å; D12-G15 VanDerWaalsContact OD1-N 3.11Å; D12-S16 VanDerWaalsContact CG-O 3.28Å; D12-S16 PolarHBondContact N-O 3.43Å; D12-S16 PolarHBondContact OD1-N 3.29Å; D12-S16 WeakPolarHBondContact OD2-CB 3.34Å
13V74.5Confident79.9Confident155 Ų15566.6 Ų66.694%0.93935%0.346SS*.THydrogen-bonded Turntrans-64.7-3.1178.8-61.40000114.2
14L76Confident80.3Confident145 Ų14566.8 Ų66.876%0.75935%0.347SS*.THydrogen-bonded Turntrans-108.59.3174.8-55.8177.1000112D12 S16D12-L14 PolarHBondContact O-N 2.76Å; D12-L14 VanDerWaalsContact OD1-C 3.26Å; D12-L14 VanDerWaalsContact OD1-CA 3.29Å; D12-L14 WeakPolarHBondContact OD1-CA 3.47Å; D12-L14 WeakPolarHBondContact OD1-CB 3.34Å; D12-L14 PolarHBondContact OD1-N 2.88Å; L14-S16 PolarHBondContact O-N 3.12Å
15G73.7Confident80.3Confident27 Ų2770.5 Ų70.528%0.27837%0.365SS..SBendtrans69.916.4179.500000114.3D12 C41D12-G15 PolarHBondContact O-N 2.68Å; D12-G15 PolarHBondContact OD1-N 2.97Å; D12-G15 VanDerWaalsContact OD1-N 3.11Å; G15-C41 PolarHBondContact O-N 3.18Å; G15-C41 PolarHBondContact O-SG 3.01Å
16S81Confident79.5Confident16 Ų1671.3 Ų71.311%0.11239%0.385CS..  trans-95.7156.5171.7-68.70000111C11 D12 L14 K37C11-S16 WeakPolarHBondContact CA-O 3.03Å; D12-S16 VanDerWaalsContact CG-O 3.28Å; D12-S16 PolarHBondContact N-O 3.43Å; D12-S16 PolarHBondContact OD1-N 3.29Å; D12-S16 WeakPolarHBondContact OD2-CB 3.34Å; L14-S16 PolarHBondContact O-N 3.12Å; S16-K37 WeakPolarHBondContact OG-CE 3.44Å; S16-K37 PolarHBondContact OG-NZ 2.89Å
17R84.4Confident78.8Confident12 Ų1278.7 Ų78.75%0.04542%0.42CS..  trans-148.8168.9177.358.1-172.5176.5180-1.8109.7Y8 G38 T39 L40Y8-R17 HydrophobicContact CD1-CG 4.21Å; Y8-R17 VanDerWaalsContact CD2-CZ 3.44Å; Y8-R17 HydrophobicContact CG-CG 4.29Å; R17-G38 WeakPolarHBondContact O-CA 3.2Å; R17-G38 PolarHBondContact O-N 3.44Å; R17-T39 VanDerWaalsContact CG-O 3.28Å; R17-T39 WeakPolarHBondContact CG-O 3.39Å; R17-T39 PolarHBondContact NE-O 3.27Å; R17-T39 PolarHBondContact NH2-OG1 2.92Å; R17-L40 PolarHBondContact NH2-O 3.49Å
18W85.9Confident78Confident124 Ų12476.9 Ų76.947%0.4742%0.416SS..EExtended strand (participates in β ladder)trans-118141.2178.9-65.285.8000110.6Y8 T9 P35 K37Y8-W18 CarbonylContact C-O 3.6Å; Y8-W18 VanDerWaalsContact CA-O 3.28Å; Y8-W18 WeakPolarHBondContact CA-O 3.4Å; T9-W18 HydrophobicContact CG2-CB 3.97Å; T9-W18 PolarHBondContact N-O 3.5Å; T9-W18 PolarHBondContact OG1-N 3.28Å; W18-P35 HydrophobicContact CE3-CB 4.28Å; W18-K37 HydrophobicContact CE3-CB 4.44Å; W18-K37 HydrophobicContact CZ3-CB 4.26Å
19R87.5Confident77.2Confident25 Ų2579.5 Ų79.59%0.09444%0.437CS..EExtended strand (participates in β ladder)trans-88.5119.1169.3-168.7-163.862.9156.24.1108.8F6 E7 Y8 P35 V36 M53 Q54F6-R19 HydrophobicContact CB-CG 4.17Å; F6-R19 HydrophobicContact CD1-CG 4.05Å; F6-R19 VanDerWaalsContact CE1-CZ 3.5Å; F6-R19 HydrophobicContact CG-CG 4.41Å; E7-R19 CarbonylContact O-C 3.53Å; E7-R19 WeakPolarHBondContact O-CA 3.42Å; Y8-R19 HydrophobicContact CD1-CB 3.85Å; Y8-R19 HydrophobicContact CD1-CG 4.28Å; Y8-R19 HydrophobicContact CE1-CB 3.8Å; Y8-R19 HydrophobicContact CE1-CG 4.19Å; R19-P35 WeakPolarHBondContact O-CA 3.37Å; R19-V36 PolarHBondContact N-O 3.34Å; R19-V36 PolarHBondContact O-N 3.12Å; R19-M53 WeakPolarHBondContact CD-O 3.37Å; R19-M53 HydrophobicContact CG-CE 4.18Å; R19-M53 PolarHBondContact NH1-O 2.69Å; R19-Q54 PolarHBondContact NH1-O 3.02Å
20V87.6Confident76.7Confident38 Ų3883.1 Ų83.123%0.2346%0.459CS..EExtended strand (participates in β ladder)trans-115.4145.9-177.2-67.80000110.6F6 E7 T9 I22 P35F6-V20 WeakPolarHBondContact CA-O 3.07Å; E7-V20 PolarHBondContact N-O 2.84Å; E7-V20 PolarHBondContact O-N 3.4Å; T9-V20 HydrophobicContact CG2-CG1 4Å; V20-I22 HydrophobicContact CG2-CD1 4.47Å; V20-I22 HydrophobicContact CG2-CG1 4.2Å; V20-P35 HydrophobicContact CG1-CB 4.15Å; V20-P35 HydrophobicContact CG1-CG 4.25Å
21A85.1Confident76.6Confident16 Ų1678.1 Ų78.113%0.13246%0.456CS..EExtended strand (participates in β ladder)trans-88.2119.8170.500000109.8Y4 H5 F6 L32 P33Y4-A21 HydrophobicContact CD2-CB 3.78Å; Y4-A21 HydrophobicContact CE2-CB 4.24Å; Y4-A21 HydrophobicContact CG-CB 4.23Å; H5-A21 CarbonylContact O-C 3.5Å; H5-A21 WeakPolarHBondContact O-CA 3.48Å; F6-A21 HydrophobicContact CD1-CB 4.1Å; F6-A21 HydrophobicContact CE1-CB 3.86Å; A21-L32 HydrophobicContact CB-CB 4.36Å; A21-L32 HydrophobicContact CB-CD2 4.39Å; A21-P33 HydrophobicContact CB-CG 3.83Å
22I82.4Confident76.7Confident57 Ų5778 Ų7829%0.29245%0.452SS..EExtended strand (participates in β ladder)trans-105123178.3-59.8-173.8000108.4Y4 H5 E7 V20Y4-I22 CarbonylContact C-O 3.5Å; Y4-I22 WeakPolarHBondContact CA-O 3.43Å; Y4-I22 VanDerWaalsContact CB-O 3.23Å; Y4-I22 WeakPolarHBondContact CB-O 3.49Å; H5-I22 PolarHBondContact N-O 3.46Å; H5-I22 PolarHBondContact ND1-O 3.36Å; H5-I22 PolarHBondContact O-N 3.1Å; E7-I22 HydrophobicContact CB-CD1 3.87Å; E7-I22 HydrophobicContact CG-CD1 3.8Å; E7-I22 WeakPolarHBondContact OE2-CD1 3.41Å; V20-I22 HydrophobicContact CG2-CD1 4.47Å; V20-I22 HydrophobicContact CG2-CG1 4.2Å
23P81.4Confident77Confident27 Ų2776.9 Ų76.918%0.17545%0.448CS..EExtended strand (participates in β ladder)trans-69.2137.4-178.229.4-34000111D3 K25 T28 L32D3-P23 WeakPolarHBondContact O-CA 3.31Å; P23-K25 PolarHBondContact O-N 3.09Å; P23-K25 VanDerWaalsContact O-N 3.12Å; P23-T28 WeakPolarHBondContact CB-O 3.36Å; P23-L32 HydrophobicContact CB-CD1 4.39Å; P23-L32 HydrophobicContact CB-CD2 4.32Å; P23-L32 HydrophobicContact CG-CD1 4.23Å
24N77.6Confident77.5Confident82 Ų8276.1 Ų76.144%0.43944%0.439SS..SBendtrans-71.4-6.7-177.7-66-16.2000113S2 D3 Y4 H5S2-N24 PolarHBondContact O-ND2 2.65Å; D3-N24 PolarHBondContact O-N 2.96Å; Y4-N24 PolarHBondContact N-ND2 3.38Å; H5-N24 PolarHBondContact N-OD1 2.91Å; H5-N24 PolarHBondContact ND1-OD1 3.44Å
25K76.2Confident77.9Confident154 Ų15472.8 Ų72.867%0.6743%0.426SS*.SBendtrans-140.1134.7172.9-61.8175.4-177.5173.20108.2P23 E27 T28P23-K25 PolarHBondContact O-N 3.09Å; P23-K25 VanDerWaalsContact O-N 3.12Å; K25-E27 PolarHBondContact O-N 3.42Å; K25-T28 PolarHBondContact O-N 2.04Å; K25-T28 VanDerWaalsContact O-N 3.17Å; K25-T28 PolarHBondContact O-OG1 3.35Å
26A64.6Low78.6Confident95 Ų9574.5 Ų74.579%0.78543%0.431SS*.THydrogen-bonded Turntrans-61.2-17.2-173.900000115.1C29A26-C29 PolarHBondContact O-SG 2.98Å
27E67.1Low78.8Confident193 Ų19379.3 Ų79.390%0.90245%0.45SS*.THydrogen-bonded Turntrans-97.7-8-177.1-60.7-178.3166.600113.8K25K25-E27 PolarHBondContact O-N 3.42Å
28T64.4Low78.7Confident61 Ų6179.3 Ų79.337%0.37445%0.454SS..  trans-106.360.4-176.454.40000112.5P23 K25P23-T28 WeakPolarHBondContact CB-O 3.36Å; K25-T28 PolarHBondContact O-N 2.04Å; K25-T28 VanDerWaalsContact O-N 3.17Å; K25-T28 PolarHBondContact O-OG1 3.35Å
29C64.8Low78.6Confident78 Ų7874.4 Ų74.453%0.52744%0.437SS..  trans-90.312.1-177.5-59.20000114.7A26A26-C29 PolarHBondContact O-SG 2.98Å
30T69.6Low78.3Confident132 Ų13278 Ų7881%0.8146%0.458SS*.SBendtrans-100.8133.7-176.1460000112.1
31G71.3Confident77.6Confident77 Ų7777 Ų7779%0.79445%0.452SS*.SBendtrans78.818.6178.800000115.4
32L78.7Confident77Confident55 Ų5581.6 Ų81.629%0.28848%0.479SS..PPolyproline II helixtrans-68.2141.3171.1-60.8176.4000110.6Y4 A21 P23Y4-L32 HydrophobicContact CD1-CD2 3.59Å; Y4-L32 HydrophobicContact CE1-CD2 4.45Å; Y4-L32 HydrophobicContact CG-CD2 3.76Å; A21-L32 HydrophobicContact CB-CB 4.36Å; A21-L32 HydrophobicContact CB-CD2 4.39Å; P23-L32 HydrophobicContact CB-CD1 4.39Å; P23-L32 HydrophobicContact CB-CD2 4.32Å; P23-L32 HydrophobicContact CG-CD1 4.23Å
33P83.9Confident76.8Confident46 Ų4681.8 Ų81.830%0.29948%0.478SS..PPolyproline II helixtrans-73.7149.8176.630.6-35.5000112.2Y4 F6 A21Y4-P33 HydrophobicContact CE2-CG 3.91Å; F6-P33 HydrophobicContact CE1-CG 3.89Å; F6-P33 HydrophobicContact CZ-CG 3.82Å; A21-P33 HydrophobicContact CB-CG 3.83Å
34D83.4Confident76.7Confident138 Ų13883.4 Ų83.474%0.73849%0.49SS*.PPolyproline II helixtrans-59.7148.9-178-67.1-57.8000113.5V36D34-V36 PolarHBondContact O-N 3.34Å
35P85.6Confident76.9Confident75 Ų7579.8 Ų79.849%0.48747%0.471SS..PPolyproline II helixtrans-58.8128.1173.7-24.835000112.7W18 R19 V20W18-P35 HydrophobicContact CE3-CB 4.28Å; R19-P35 WeakPolarHBondContact O-CA 3.37Å; V20-P35 HydrophobicContact CG1-CB 4.15Å; V20-P35 HydrophobicContact CG1-CG 4.25Å
36V88.8Confident77.2Confident64 Ų6475.8 Ų75.839%0.38846%0.462SS..EExtended strand (participates in β ladder)trans-105.7144.7178.8-175.60000109.1R19 D34 G38R19-V36 PolarHBondContact N-O 3.34Å; R19-V36 PolarHBondContact O-N 3.12Å; D34-V36 PolarHBondContact O-N 3.34Å; V36-G38 PolarHBondContact O-N 2.91Å
37K85.3Confident78.2Confident117 Ų11777 Ų7751%0.50945%0.451SS..EExtended strand (participates in β ladder)trans-59.2132.6175-174.3168.4-176.7169.40110.2S16 W18 Q56S16-K37 WeakPolarHBondContact OG-CE 3.44Å; S16-K37 PolarHBondContact OG-NZ 2.89Å; W18-K37 HydrophobicContact CE3-CB 4.44Å; W18-K37 HydrophobicContact CZ3-CB 4.26Å; K37-Q56 PolarHBondContact O-NE2 2.87Å
38G82.8Confident79Confident12 Ų1267.8 Ų67.812%0.12441%0.409CS..PPolyproline II helixtrans-83167-177.600000114.1R17 V36 Q56R17-G38 WeakPolarHBondContact O-CA 3.2Å; R17-G38 PolarHBondContact O-N 3.44Å; V36-G38 PolarHBondContact O-N 2.91Å; G38-Q56 VanDerWaalsContact CA-OE1 3.26Å
39T82.9Confident80.1Confident21 Ų2166.8 Ų66.813%0.12940%0.399CS..PPolyproline II helixtrans-56.2150.6161.851.60000111.4Y8 R17 F43 Q56Y8-T39 VanDerWaalsContact CZ-OG1 3.28Å; Y8-T39 PolarHBondContact OH-OG1 3.06Å; R17-T39 VanDerWaalsContact CG-O 3.28Å; R17-T39 WeakPolarHBondContact CG-O 3.39Å; R17-T39 PolarHBondContact NE-O 3.27Å; R17-T39 PolarHBondContact NH2-OG1 2.92Å; T39-F43 HydrophobicContact CG2-CD1 4.05Å; T39-F43 HydrophobicContact CG2-CD2 4.14Å; T39-F43 HydrophobicContact CG2-CE1 4.21Å; T39-F43 HydrophobicContact CG2-CE2 4.28Å; T39-F43 HydrophobicContact CG2-CG 4.01Å; T39-F43 HydrophobicContact CG2-CZ 4.31Å; T39-Q56 HydrophobicContact CG2-CB 4.24Å
40L80.3Confident81.1Confident99 Ų9965 Ų6552%0.51838%0.383SS..PPolyproline II helixtrans-57.7152.7177.2-69.1172.5000111.8R17 T42 F43R17-L40 PolarHBondContact NH2-O 3.49Å; L40-T42 PolarHBondContact O-N 3.3Å; L40-T42 VanDerWaalsContact O-N 3.15Å; L40-F43 WeakPolarHBondContact O-CB 3.34Å; L40-F43 PolarHBondContact O-N 2.86Å
41C73Confident81.9Confident17 Ų1758.8 Ų58.812%0.11534%0.344CS..THydrogen-bonded Turntrans-69.9-9.5-178.4-69.70000115.4C11 G15C11-C41 HydrophobicContact CB-CB 3.95Å; C11-C41 WeakPolarHBondContact CB-SG 3.41Å; C11-C41 WeakPolarHBondContact SG-CB 3.44Å; C11-C41 CovalentContact SG-SG 2.02Å; C11-C41 PolarHBondContact SG-SG 3.05Å; G15-C41 PolarHBondContact O-N 3.18Å; G15-C41 PolarHBondContact O-SG 3.01Å
42T73.1Confident82.6Confident113 Ų11356.5 Ų56.569%0.69331%0.314SS*.THydrogen-bonded Turntrans-90.8-2.8168.950.30000113.5L40L40-T42 PolarHBondContact O-N 3.3Å; L40-T42 VanDerWaalsContact O-N 3.15Å
43F79.3Confident82.7Confident62 Ų6254.7 Ų54.727%0.27231%0.305SS..  trans-72.7135.7179.7-179.1-87000111.7T39 L40 L51 C58T39-F43 HydrophobicContact CG2-CD1 4.05Å; T39-F43 HydrophobicContact CG2-CD2 4.14Å; T39-F43 HydrophobicContact CG2-CE1 4.21Å; T39-F43 HydrophobicContact CG2-CE2 4.28Å; T39-F43 HydrophobicContact CG2-CG 4.01Å; T39-F43 HydrophobicContact CG2-CZ 4.31Å; L40-F43 WeakPolarHBondContact O-CB 3.34Å; L40-F43 PolarHBondContact O-N 2.86Å; F43-L51 HydrophobicContact CD1-CD2 4.14Å; F43-L51 HydrophobicContact CE1-CD1 3.78Å; F43-L51 HydrophobicContact CE1-CD2 3.87Å; F43-L51 HydrophobicContact CE1-CG 4.38Å; F43-L51 HydrophobicContact CZ-CD1 4.29Å; F43-C58 WeakPolarHBondContact CZ-SG 3.41Å
44S77.4Confident82.6Confident61 Ų6158.4 Ų58.443%0.42732%0.318SS..  trans-146.5157-178.342.70000111.5A216S44-A216 WeakPolarHBondContact CA-O 3.29Å; S44-A216 WeakPolarHBondContact CB-O 3.04Å
45C82.6Confident82.7Confident6 Ų654.2 Ų54.24%0.04130%0.3CS..  trans-106.9152.6174.5-640000111.8E49 C58 G69C45-E49 HydrophobicContact CB-CB 4.11Å; C45-C58 WeakPolarHBondContact CA-SG 3.35Å; C45-C58 HydrophobicContact CB-CB 3.81Å; C45-C58 WeakPolarHBondContact CB-SG 3.07Å; C45-C58 VanDerWaalsContact SG-CA 3.57Å; C45-C58 WeakPolarHBondContact SG-CB 3.01Å; C45-C58 CovalentContact SG-SG 2.04Å; C45-C58 PolarHBondContact SG-SG 2.03Å; C45-G69 WeakPolarHBondContact O-CA 3.41Å
46S83.3Confident82.6Confident69 Ų6952.4 Ų52.448%0.48328%0.284SS..  trans-66.8164.7179.4-36.80000112.3E49 G69S46-E49 WeakPolarHBondContact CB-OE2 3.1Å; S46-E49 WeakPolarHBondContact O-CB 3.33Å; S46-E49 PolarHBondContact O-N 2.89Å; S46-E49 VanDerWaalsContact O-N 3.08Å; S46-E49 PolarHBondContact OG-OE2 3.36Å; S46-G69 VanDerWaalsContact O-CA 3.31Å; S46-G69 WeakPolarHBondContact O-CA 3.1Å
47E84.9Confident82.6Confident121 Ų12155.5 Ų55.557%0.56530%0.295SS*.THydrogen-bonded Turntrans-57.4140.8162.2-63-169.8162.600110.3E49 A236E47-E49 PolarHBondContact O-N 3.09Å; E47-A236 HydrophobicContact CB-CB 3.8Å
48G84.3Confident82.7Confident0 Ų051.9 Ų51.90%028%0.284CS..THydrogen-bonded Turntrans77.5-1.1-17200000115.3C61 S67 G234 S235G48-C61 PolarHBondContact O-N 3.35Å; G48-C61 PolarHBondContact O-SG 2.91Å; G48-S67 PolarHBondContact N-O 3.02Å; G48-G234 WeakPolarHBondContact CA-O 3.23Å; G48-G234 WeakPolarHBondContact O-CA 3.15Å; G48-S235 WeakPolarHBondContact CA-O 3.47Å
49E87.4Confident83Confident39 Ų3955.2 Ų55.218%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-118.8146179.8-65.4176.6162.600111.9C45 S46 E47 C58 Q59 K60 S67C45-E49 HydrophobicContact CB-CB 4.11Å; S46-E49 WeakPolarHBondContact CB-OE2 3.1Å; S46-E49 WeakPolarHBondContact O-CB 3.33Å; S46-E49 PolarHBondContact O-N 2.89Å; S46-E49 VanDerWaalsContact O-N 3.08Å; S46-E49 PolarHBondContact OG-OE2 3.36Å; E47-E49 PolarHBondContact O-N 3.09Å; E49-C58 HydrophobicContact CB-CB 4.26Å; E49-Q59 CarbonylContact C-O 3.53Å; E49-Q59 VanDerWaalsContact CA-O 3.23Å; E49-Q59 WeakPolarHBondContact CA-O 3.23Å; E49-K60 HydrophobicContact CG-CG 3.86Å; E49-K60 WeakPolarHBondContact OE1-CE 3.33Å; E49-S67 WeakPolarHBondContact O-CB 3.4Å; E49-S67 PolarHBondContact O-OG 3.46Å
50F86.3Confident83.4Confident42 Ų4260.7 Ų60.718%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-122.4155.3174.176.7-75.8000109.8D52 C58 Q59 T218 S219 C221F50-D52 HydrophobicContact CE2-CB 4.04Å; F50-D52 HydrophobicContact CZ-CB 4.45Å; F50-D52 PolarHBondContact O-N 2.99Å; F50-C58 CarbonylContact O-C 3.56Å; F50-C58 VanDerWaalsContact O-CA 3.32Å; F50-C58 WeakPolarHBondContact O-CA 3Å; F50-Q59 HydrophobicContact CD1-CB 4.2Å; F50-Q59 WeakPolarHBondContact CD1-O 3.2Å; F50-Q59 HydrophobicContact CE1-CB 3.62Å; F50-Q59 HydrophobicContact CZ-CB 3.98Å; F50-Q59 PolarHBondContact N-O 3.33Å; F50-Q59 PolarHBondContact O-N 2.85Å; F50-T218 HydrophobicContact CB-CG2 3.95Å; F50-S219 WeakPolarHBondContact CD2-O 3.44Å; F50-C221 WeakPolarHBondContact CD1-SG 3.38Å
51L85.8Confident83.8Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-87.1105.7175.9-178.549.3000110.1Y8 F43 M53 Y217 T218Y8-L51 HydrophobicContact CE2-CD2 3.73Å; F43-L51 HydrophobicContact CD1-CD2 4.14Å; F43-L51 HydrophobicContact CE1-CD1 3.78Å; F43-L51 HydrophobicContact CE1-CD2 3.87Å; F43-L51 HydrophobicContact CE1-CG 4.38Å; F43-L51 HydrophobicContact CZ-CD1 4.29Å; L51-M53 HydrophobicContact CD2-SD 4.3Å; L51-M53 HydrophobicContact CG-SD 4.26Å; L51-M53 PolarHBondContact O-N 3.1Å; L51-M53 VanDerWaalsContact O-N 3.09Å; L51-Y217 HydrophobicContact CB-CD2 3.67Å; L51-Y217 HydrophobicContact CB-CE2 4.43Å; L51-Y217 HydrophobicContact CB-CG 4Å; L51-Y217 HydrophobicContact CD2-CD1 3.91Å; L51-Y217 HydrophobicContact CD2-CD2 3.81Å; L51-Y217 HydrophobicContact CD2-CE1 4.25Å; L51-Y217 HydrophobicContact CD2-CE2 4.15Å; L51-Y217 HydrophobicContact CD2-CG 3.73Å; L51-Y217 HydrophobicContact CG-CD2 4.27Å; L51-T218 PolarHBondContact N-O 2.94Å
52D85.1Confident84.6Confident30 Ų3058.1 Ų58.116%0.1631%0.312CS..EExtended strand (participates in β ladder)trans-67.2111.2168166.136.2000109.4F50 Q54 S55 Q56 Q57 Q59F50-D52 HydrophobicContact CE2-CB 4.04Å; F50-D52 HydrophobicContact CZ-CB 4.45Å; F50-D52 PolarHBondContact O-N 2.99Å; D52-Q54 PolarHBondContact O-N 3.1Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.11Å; D52-Q54 PolarHBondContact OD1-N 2.85Å; D52-S55 WeakPolarHBondContact OD2-CB 3.36Å; D52-S55 PolarHBondContact OD2-N 3.43Å; D52-S55 PolarHBondContact OD2-OG 2.93Å; D52-Q56 VanDerWaalsContact O-CA 3.27Å; D52-Q56 WeakPolarHBondContact O-CA 3.19Å; D52-Q56 PolarHBondContact O-N 3.48Å; D52-Q57 PolarHBondContact N-O 3Å; D52-Q57 VanDerWaalsContact N-O 3.11Å; D52-Q59 HydrophobicContact CB-CG 4.14Å; D52-Q59 VanDerWaalsContact CB-NE2 3.28Å; D52-Q59 PolarHBondContact OD2-NE2 2.84Å
53M81.6Confident85.5Confident17 Ų1754.7 Ų54.78%0.08430%0.295CS..THydrogen-bonded Turntrans-67.9-12.8179.3-66.5-66.6-79.800113.2F6 E7 Y8 R19 L51 Y217F6-M53 HydrophobicContact CB-CB 3.85Å; F6-M53 HydrophobicContact CB-CE 4.49Å; F6-M53 WeakPolarHBondContact O-CE 3.5Å; E7-M53 VanDerWaalsContact C-CE 3.45Å; Y8-M53 HydrophobicContact CD1-CE 4.17Å; Y8-M53 HydrophobicContact CD2-CE 3.78Å; Y8-M53 HydrophobicContact CD2-SD 4.1Å; Y8-M53 HydrophobicContact CE1-CE 4.28Å; Y8-M53 HydrophobicContact CE2-CE 3.88Å; Y8-M53 HydrophobicContact CE2-SD 3.66Å; Y8-M53 HydrophobicContact CG-CE 3.91Å; R19-M53 WeakPolarHBondContact CD-O 3.37Å; R19-M53 HydrophobicContact CG-CE 4.18Å; R19-M53 PolarHBondContact NH1-O 2.69Å; L51-M53 HydrophobicContact CD2-SD 4.3Å; L51-M53 HydrophobicContact CG-SD 4.26Å; L51-M53 PolarHBondContact O-N 3.1Å; L51-M53 VanDerWaalsContact O-N 3.09Å; M53-Y217 HydrophobicContact SD-CE2 4.23Å
54Q81.6Confident85.9Confident123 Ų12351.8 Ų51.858%0.57528%0.283SS*.THydrogen-bonded Turntrans-79.2-53174-60-171.139.300112.1F6 R19 D52F6-Q54 HydrophobicContact CD2-CG 4.33Å; F6-Q54 HydrophobicContact CE2-CG 4.34Å; R19-Q54 PolarHBondContact NH1-O 3.02Å; D52-Q54 PolarHBondContact O-N 3.1Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.11Å; D52-Q54 PolarHBondContact OD1-N 2.85Å
55S84.6Confident86.4Confident51 Ų5149.7 Ų49.736%0.35727%0.267SS..THydrogen-bonded Turntrans-81.4-18.3177.161.60000114.6D52 Q57 Q59D52-S55 WeakPolarHBondContact OD2-CB 3.36Å; D52-S55 PolarHBondContact OD2-N 3.43Å; D52-S55 PolarHBondContact OD2-OG 2.93Å; S55-Q57 VanDerWaalsContact C-N 3.25Å; S55-Q57 PolarHBondContact O-N 2.03Å; S55-Q57 PolarHBondContact OG-N 2.84Å; S55-Q59 PolarHBondContact OG-NE2 3.03Å
56Q84.8Confident86.7Confident36 Ų3650.8 Ų50.817%0.16827%0.271CS..THydrogen-bonded Turntrans58.333-169-55.4-164.571.500113.7Y8 K37 G38 T39 D52Y8-Q56 PolarHBondContact OH-OE1 3.12Å; K37-Q56 PolarHBondContact O-NE2 2.87Å; G38-Q56 VanDerWaalsContact CA-OE1 3.26Å; T39-Q56 HydrophobicContact CG2-CB 4.24Å; D52-Q56 VanDerWaalsContact O-CA 3.27Å; D52-Q56 WeakPolarHBondContact O-CA 3.19Å; D52-Q56 PolarHBondContact O-N 3.48Å
57Q87.4Confident86.8Confident130 Ų13047.5 Ų47.561%0.60725%0.248SC*.EExtended strand (participates in β ladder)trans-124.4150.1178.1-64.3-178.9-2.300111.2D52 S55 Q59D52-Q57 PolarHBondContact N-O 3Å; D52-Q57 VanDerWaalsContact N-O 3.11Å; S55-Q57 VanDerWaalsContact C-N 3.25Å; S55-Q57 PolarHBondContact O-N 2.03Å; S55-Q57 PolarHBondContact OG-N 2.84Å; Q57-Q59 PolarHBondContact O-N 3.4Å
58C87.9Confident86.7Confident40 Ų4042.2 Ų42.227%0.2722%0.223SC..EExtended strand (participates in β ladder)trans-69.8124.4171-58.50000109.6F43 C45 E49 F50F43-C58 WeakPolarHBondContact CZ-SG 3.41Å; C45-C58 WeakPolarHBondContact CA-SG 3.35Å; C45-C58 HydrophobicContact CB-CB 3.81Å; C45-C58 WeakPolarHBondContact CB-SG 3.07Å; C45-C58 VanDerWaalsContact SG-CA 3.57Å; C45-C58 WeakPolarHBondContact SG-CB 3.01Å; C45-C58 CovalentContact SG-SG 2.04Å; C45-C58 PolarHBondContact SG-SG 2.03Å; E49-C58 HydrophobicContact CB-CB 4.26Å; F50-C58 CarbonylContact O-C 3.56Å; F50-C58 VanDerWaalsContact O-CA 3.32Å; F50-C58 WeakPolarHBondContact O-CA 3Å
59Q89.8Confident86.6Confident83 Ų8342.2 Ų42.239%0.38822%0.223SC..EExtended strand (participates in β ladder)trans-117147.9176-63.6-173.523.900109.5E49 F50 D52 S55 Q57E49-Q59 CarbonylContact C-O 3.53Å; E49-Q59 VanDerWaalsContact CA-O 3.23Å; E49-Q59 WeakPolarHBondContact CA-O 3.23Å; F50-Q59 HydrophobicContact CD1-CB 4.2Å; F50-Q59 WeakPolarHBondContact CD1-O 3.2Å; F50-Q59 HydrophobicContact CE1-CB 3.62Å; F50-Q59 HydrophobicContact CZ-CB 3.98Å; F50-Q59 PolarHBondContact N-O 3.33Å; F50-Q59 PolarHBondContact O-N 2.85Å; D52-Q59 HydrophobicContact CB-CG 4.14Å; D52-Q59 VanDerWaalsContact CB-NE2 3.28Å; D52-Q59 PolarHBondContact OD2-NE2 2.84Å; S55-Q59 PolarHBondContact OG-NE2 3.03Å; Q57-Q59 PolarHBondContact O-N 3.4Å
60K90.5Very high86.2Confident136 Ų13642.5 Ų42.559%0.59123%0.228SC*.EExtended strand (participates in β ladder)trans-74.9138.6179-70.1-172.9177-163.60111E49E49-K60 HydrophobicContact CG-CG 3.86Å; E49-K60 WeakPolarHBondContact OE1-CE 3.33Å
61C89.5Confident85.9Confident0 Ų040.9 Ų40.90%022%0.222CC..PPolyproline II helixtrans-58.4143170.4-650000111.3G48 T65 Y66 S67 C221 A233 G234G48-C61 PolarHBondContact O-N 3.35Å; G48-C61 PolarHBondContact O-SG 2.91Å; C61-T65 WeakPolarHBondContact CB-OG1 3.1Å; C61-Y66 VanDerWaalsContact SG-C 3.53Å; C61-S67 WeakPolarHBondContact SG-CB 3.1Å; C61-C221 WeakPolarHBondContact CA-SG 3.36Å; C61-C221 HydrophobicContact CB-CB 3.77Å; C61-C221 WeakPolarHBondContact CB-SG 3Å; C61-C221 WeakPolarHBondContact SG-CB 3.41Å; C61-C221 CovalentContact SG-SG 2.03Å; C61-C221 PolarHBondContact SG-SG 3.44Å; C61-A233 CarbonylContact O-C 3.55Å; C61-A233 WeakPolarHBondContact O-CA 3.46Å; C61-A233 WeakPolarHBondContact O-CB 3.44Å; C61-G234 PolarHBondContact O-N 3.15Å
62A90.5Very high85.7Confident61 Ų6143 Ų4350%0.50423%0.234SC..PPolyproline II helixtrans-66161.7173.400000111G64 T65A62-G64 PolarHBondContact O-N 3.5Å; A62-T65 PolarHBondContact N-OG1 3.22Å; A62-T65 PolarHBondContact O-N 3.18Å; A62-T65 VanDerWaalsContact O-N 3.11Å; A62-T65 PolarHBondContact O-OG1 3.36Å
63A90.4Very high85.6Confident41 Ų4142.9 Ų42.934%0.33924%0.238SC..THydrogen-bonded Turntrans-57.8140.5163.200000109T65 S230 T252A63-T65 VanDerWaalsContact C-N 3.3Å; A63-S230 CarbonylContact C-O 3.6Å; A63-S230 WeakPolarHBondContact CA-O 3.28Å; A63-S230 WeakPolarHBondContact CB-O 3.38Å; A63-T252 HydrophobicContact CB-CG2 3.65Å
64G88.1Confident85.8Confident1 Ų143.1 Ų43.11%0.0124%0.238CC..THydrogen-bonded Turntrans84.8-7-172.400000115.1A62 C224 S230 G250 A251A62-G64 PolarHBondContact O-N 3.5Å; G64-C224 PolarHBondContact O-N 3.01Å; G64-C224 PolarHBondContact O-SG 3.48Å; G64-S230 PolarHBondContact N-O 3.44Å; G64-G250 VanDerWaalsContact CA-O 3.28Å; G64-G250 WeakPolarHBondContact CA-O 3.32Å; G64-G250 WeakPolarHBondContact O-CA 3.33Å; G64-A251 WeakPolarHBondContact CA-O 3.33Å
65T88.4Confident85.4Confident17 Ų1739.1 Ų39.110%0.10422%0.221CC..EExtended strand (participates in β ladder)trans-122.2167.7169.367.90000111.6C61 A62 A63 C221 F222 S230C61-T65 WeakPolarHBondContact CB-OG1 3.1Å; A62-T65 PolarHBondContact N-OG1 3.22Å; A62-T65 PolarHBondContact O-N 3.18Å; A62-T65 VanDerWaalsContact O-N 3.11Å; A62-T65 PolarHBondContact O-OG1 3.36Å; A63-T65 VanDerWaalsContact C-N 3.3Å; T65-C221 HydrophobicContact CG2-CB 4.48Å; T65-C221 WeakPolarHBondContact OG1-CB 3.41Å; T65-F222 CarbonylContact C-O 3.54Å; T65-F222 WeakPolarHBondContact CA-O 3.38Å; T65-F222 VanDerWaalsContact CB-O 3.27Å; T65-F222 WeakPolarHBondContact CB-O 3.35Å; T65-S230 PolarHBondContact O-OG 2.82Å; T65-S230 VanDerWaalsContact O-OG 3.09Å
66Y87.7Confident85.1Confident30 Ų3040.2 Ų40.212%0.11822%0.221CC..EExtended strand (participates in β ladder)trans-143.3161.5178.178.6-82.3000112C61 L68 C221 F222 S235 A236 C238C61-Y66 VanDerWaalsContact SG-C 3.53Å; Y66-L68 HydrophobicContact CD2-CG 4.34Å; Y66-L68 HydrophobicContact CE2-CD1 4.23Å; Y66-L68 HydrophobicContact CE2-CG 4.12Å; Y66-C221 CarbonylContact O-C 3.57Å; Y66-C221 WeakPolarHBondContact O-CA 3.15Å; Y66-F222 HydrophobicContact CD1-CB 4.11Å; Y66-F222 VanDerWaalsContact CD1-O 3.29Å; Y66-F222 WeakPolarHBondContact CD1-O 3.45Å; Y66-F222 HydrophobicContact CE1-CB 3.7Å; Y66-F222 PolarHBondContact N-O 3.2Å; Y66-F222 PolarHBondContact O-N 2.98Å; Y66-S235 VanDerWaalsContact CA-O 3.31Å; Y66-S235 WeakPolarHBondContact CA-O 3.4Å; Y66-S235 WeakPolarHBondContact CB-O 3.04Å; Y66-A236 WeakPolarHBondContact CD2-O 3.3Å; Y66-C238 WeakPolarHBondContact CD1-SG 3.4Å
67S87.1Confident84.9Confident0 Ų038.5 Ų38.50%021%0.213CC..  trans-143.4140.5172163.80000110.4G48 E49 C61 G69 T218 S235 A236G48-S67 PolarHBondContact N-O 3.02Å; E49-S67 WeakPolarHBondContact O-CB 3.4Å; E49-S67 PolarHBondContact O-OG 3.46Å; C61-S67 WeakPolarHBondContact SG-CB 3.1Å; S67-G69 PolarHBondContact OG-N 3.49Å; S67-T218 WeakPolarHBondContact OG-CG2 3.36Å; S67-S235 PolarHBondContact N-O 3.39Å; S67-A236 WeakPolarHBondContact O-CA 3.22Å
68L82Confident84.4Confident9 Ų938.3 Ų38.35%0.04722%0.216CC..  trans-98.815173.3-67.4171.5000112.7Y66 T70 S71 A73 A236 R237Y66-L68 HydrophobicContact CD2-CG 4.34Å; Y66-L68 HydrophobicContact CE2-CD1 4.23Å; Y66-L68 HydrophobicContact CE2-CG 4.12Å; L68-T70 PolarHBondContact O-N 3.35Å; L68-S71 VanDerWaalsContact CB-O 3.31Å; L68-S71 WeakPolarHBondContact CB-O 3.36Å; L68-S71 WeakPolarHBondContact CB-OG 3.36Å; L68-S71 PolarHBondContact O-N 3.42Å; L68-S71 PolarHBondContact O-OG 3.37Å; L68-A73 HydrophobicContact CD1-CB 3.44Å; L68-A73 VanDerWaalsContact CD1-CB 3.44Å; L68-A236 VanDerWaalsContact CD2-O 3.32Å; L68-A236 WeakPolarHBondContact CD2-O 3.43Å; L68-R237 HydrophobicContact CD2-CG 3.93Å
69G82.3Confident84.1Confident0 Ų043.1 Ų43.10%024%0.237CC..THydrogen-bonded Turntrans62.7-96.3170.300000114.2C45 S46 S67 Y217 T218C45-G69 WeakPolarHBondContact O-CA 3.41Å; S46-G69 VanDerWaalsContact O-CA 3.31Å; S46-G69 WeakPolarHBondContact O-CA 3.1Å; S67-G69 PolarHBondContact OG-N 3.49Å; G69-Y217 CarbonylContact O-C 3.56Å; G69-Y217 WeakPolarHBondContact O-CA 3.28Å; G69-T218 PolarHBondContact O-N 3.44Å
70T78.8Confident83.8Confident45 Ų4541.6 Ų41.628%0.27623%0.231SC..THydrogen-bonded Turntrans-97.718.717754.40000113.3L68 S213 G214 V215L68-T70 PolarHBondContact O-N 3.35Å; T70-S213 CarbonylContact O-C 3.6Å; T70-S213 WeakPolarHBondContact O-CA 3.45Å; T70-G214 PolarHBondContact O-N 2.59Å; T70-V215 VanDerWaalsContact C-CG2 3.46Å; T70-V215 WeakPolarHBondContact CA-O 3.37Å; T70-V215 WeakPolarHBondContact CB-O 3.36Å; T70-V215 WeakPolarHBondContact O-CG2 3.35Å; T70-V215 PolarHBondContact O-N 3.34Å; T70-V215 VanDerWaalsContact O-N 3.11Å
71S80.2Confident83.5Confident9 Ų936.2 Ų36.26%0.06321%0.211CC..EExtended strand (participates in β ladder)trans-135.9152.2173.964.90000113.4L68 Q211 V212 S213L68-S71 VanDerWaalsContact CB-O 3.31Å; L68-S71 WeakPolarHBondContact CB-O 3.36Å; L68-S71 WeakPolarHBondContact CB-OG 3.36Å; L68-S71 PolarHBondContact O-N 3.42Å; L68-S71 PolarHBondContact O-OG 3.37Å; S71-Q211 PolarHBondContact OG-NE2 2.68Å; S71-V212 CarbonylContact C-O 3.55Å; S71-V212 WeakPolarHBondContact CA-O 3.41Å; S71-V212 WeakPolarHBondContact CB-O 3.03Å; S71-S213 VanDerWaalsContact CB-CA 3.5Å
72V81.9Confident83Confident43 Ų4342.6 Ų42.626%0.26125%0.25SC..EExtended strand (participates in β ladder)trans-111.7143.7173.4-173.40000107.8F74 Q211 V212 V215V72-F74 HydrophobicContact CG1-CE1 4.03Å; V72-F74 HydrophobicContact CG1-CE2 3.89Å; V72-F74 HydrophobicContact CG1-CZ 3.53Å; V72-Q211 CarbonylContact O-C 3.53Å; V72-Q211 VanDerWaalsContact O-CA 3.28Å; V72-Q211 WeakPolarHBondContact O-CA 3.32Å; V72-Q211 WeakPolarHBondContact O-CG 3.47Å; V72-V212 PolarHBondContact N-O 2.92Å; V72-V212 PolarHBondContact O-N 2.93Å; V72-V215 HydrophobicContact CG2-CG1 4.25Å; V72-V215 HydrophobicContact CG2-CG2 3.91Å
73A82.9Confident82.6Confident28 Ų2842.1 Ų42.123%0.23125%0.25CS..EExtended strand (participates in β ladder)trans-129.6150.817300000111.5L68 I210 Q211L68-A73 HydrophobicContact CD1-CB 3.44Å; L68-A73 VanDerWaalsContact CD1-CB 3.44Å; A73-I210 CarbonylContact C-O 3.58Å; A73-I210 VanDerWaalsContact CA-O 3.31Å; A73-I210 WeakPolarHBondContact CA-O 3.46Å; A73-Q211 HydrophobicContact CB-CB 4.23Å; A73-Q211 HydrophobicContact CB-CG 4.19Å
74F84.6Confident82.5Confident22 Ų2240.8 Ų40.810%0.09624%0.237CC..EExtended strand (participates in β ladder)trans-126.793.1179.4-56.1-76.1000109.8V72 W77 P81 F84 Y125 N209 I210V72-F74 HydrophobicContact CG1-CE1 4.03Å; V72-F74 HydrophobicContact CG1-CE2 3.89Å; V72-F74 HydrophobicContact CG1-CZ 3.53Å; F74-W77 HydrophobicContact CB-CH2 4.47Å; F74-W77 HydrophobicContact CB-CZ2 3.8Å; F74-W77 PolarHBondContact O-NE1 3.01Å; F74-P81 HydrophobicContact CD1-CB 3.72Å; F74-P81 HydrophobicContact CD1-CG 4.04Å; F74-P81 HydrophobicContact CE1-CB 4Å; F74-F84 HydrophobicContact CB-CE2 4.47Å; F74-F84 AromaticContact CD1-CE2 3.87Å; F74-F84 HydrophobicContact CD1-CE2 3.87Å; F74-F84 AromaticContact CD2-CE2 3.67Å; F74-F84 HydrophobicContact CD2-CE2 3.67Å; F74-F84 AromaticContact CD2-CZ 3.82Å; F74-F84 HydrophobicContact CD2-CZ 3.82Å; F74-F84 AromaticContact CE1-CE2 3.94Å; F74-F84 HydrophobicContact CE1-CE2 3.94Å; F74-F84 AromaticContact CE2-CE2 3.74Å; F74-F84 HydrophobicContact CE2-CE2 3.74Å; F74-F84 HydrophobicContact CE2-CZ 4.1Å; F74-F84 AromaticContact CG-CE2 3.73Å; F74-F84 HydrophobicContact CG-CE2 3.73Å; F74-F84 HydrophobicContact CG-CZ 4.16Å; F74-F84 AromaticContact CZ-CE2 3.88Å; F74-F84 HydrophobicContact CZ-CE2 3.88Å; F74-Y125 HydrophobicContact CE2-CE1 4.08Å; F74-Y125 HydrophobicContact CE2-CE2 4.19Å; F74-Y125 AromaticContact CE2-CZ 3.86Å; F74-Y125 HydrophobicContact CZ-CE1 4.32Å; F74-Y125 AromaticContact CZ-CE2 3.8Å; F74-Y125 HydrophobicContact CZ-CE2 3.8Å; F74-Y125 AromaticContact CZ-CZ 3.63Å; F74-N209 PolarHBondContact O-N 3.38Å; F74-I210 HydrophobicContact CB-CB 4.37Å; F74-I210 HydrophobicContact CD2-CB 4.29Å; F74-I210 HydrophobicContact CD2-CG2 4.38Å; F74-I210 WeakPolarHBondContact CD2-O 3.01Å; F74-I210 PolarHBondContact N-O 3.16Å; F74-I210 PolarHBondContact O-N 3.46Å
75D75Confident82.6Confident39 Ų3945.9 Ų45.921%0.20926%0.263CS..  trans-125.27.9-178.776.6-53.3000113.8K225D75-K225 PolarHBondContact O-NZ 2.96Å; D75-K225 WeakPolarHBondContact OD2-CE 3.25Å; D75-K225 IonicContact OD2-NZ 3.71Å; D75-K225 PolarHBondContact OD2-NZ 3.09Å
76E76.9Confident82.7Confident75 Ų7546.7 Ų46.735%0.3527%0.268SS..  trans-116.6124.4164.8-67.8-174.7162.900107.6K225 K249E76-K225 HydrophobicContact CG-CD 4.13Å; E76-K225 WeakPolarHBondContact OE1-CB 3.39Å; E76-K249 IonicContact OE1-NZ 3.36Å; E76-K249 PolarHBondContact OE1-NZ 3.18Å; E76-K249 IonicContact OE2-NZ 2.65Å; E76-K249 PolarHBondContact OE2-NZ 3.36Å
77W81.1Confident82.7Confident0 Ų049.3 Ų49.30%028%0.281CS..BIsolated β-bridgetrans-132.635.1-175.9-6489.8000112.1F74 I79 L80 P81 F84 P107 K108 G109 Y111 V112 I210F74-W77 HydrophobicContact CB-CH2 4.47Å; F74-W77 HydrophobicContact CB-CZ2 3.8Å; F74-W77 PolarHBondContact O-NE1 3.01Å; W77-I79 VanDerWaalsContact C-N 3.3Å; W77-L80 HydrophobicContact CZ3-CD1 4.1Å; W77-P81 HydrophobicContact CE3-CG 4.16Å; W77-P81 HydrophobicContact CZ3-CG 4.14Å; W77-F84 HydrophobicContact CH2-CD1 4.32Å; W77-F84 AromaticContact CH2-CE1 3.88Å; W77-F84 HydrophobicContact CH2-CE1 3.88Å; W77-F84 HydrophobicContact CH2-CE2 4.15Å; W77-F84 AromaticContact CH2-CZ 3.79Å; W77-F84 HydrophobicContact CH2-CZ 3.79Å; W77-P107 WeakPolarHBondContact O-CB 3.07Å; W77-K108 PolarHBondContact O-N 3.3Å; W77-G109 CarbonylContact C-O 3.51Å; W77-G109 VanDerWaalsContact C-O 3.24Å; W77-G109 WeakPolarHBondContact CA-O 3.02Å; W77-G109 WeakPolarHBondContact CB-O 3.15Å; W77-G109 PolarHBondContact N-O 3.06Å; W77-G109 PolarHBondContact O-N 2.04Å; W77-Y111 WeakPolarHBondContact CB-O 3.26Å; W77-V112 HydrophobicContact CD2-CB 4.12Å; W77-V112 HydrophobicContact CD2-CG1 4.32Å; W77-V112 HydrophobicContact CE3-CB 3.64Å; W77-V112 HydrophobicContact CE3-CG1 3.93Å; W77-V112 HydrophobicContact CE3-CG2 4.36Å; W77-V112 HydrophobicContact CH2-CG1 4.08Å; W77-V112 HydrophobicContact CZ2-CG1 4.47Å; W77-V112 HydrophobicContact CZ3-CB 3.94Å; W77-V112 HydrophobicContact CZ3-CG1 3.78Å; W77-V112 HydrophobicContact CZ3-CG2 4.47Å; W77-I210 HydrophobicContact CH2-CD1 3.8Å; W77-I210 HydrophobicContact CZ2-CD1 3.7Å; W77-I210 HydrophobicContact CZ2-CG1 4.04Å
78D76.6Confident82.5Confident126 Ų12649.9 Ų49.967%0.67429%0.287SS*.SBendtrans-65.1-37.1169.1-70.2-50.3000111.8
79I82.2Confident82.2Confident140 Ų14052.3 Ų52.372%0.71830%0.302SS*.SBendtrans-133.4149.3177-55.6177.4000106.5W77 P81W77-I79 VanDerWaalsContact C-N 3.3Å; I79-P81 VanDerWaalsContact O-CD 3.32Å; I79-P81 WeakPolarHBondContact O-CD 3.35Å
80L83.4Confident81.4Confident51 Ų5155.3 Ų55.327%0.26732%0.321SS..PPolyproline II helixtrans-60.5120.9176.1-171.368.2000110.2W77 F84 T86 L123W77-L80 HydrophobicContact CZ3-CD1 4.1Å; L80-F84 HydrophobicContact CD1-CB 3.83Å; L80-F84 HydrophobicContact CD1-CG 4.49Å; L80-F84 HydrophobicContact CD2-CB 4.18Å; L80-F84 HydrophobicContact CG-CB 3.82Å; L80-T86 HydrophobicContact CD2-CG2 4.26Å; L80-L123 HydrophobicContact CD1-CD1 4.11Å
81P84.1Confident80.4Confident24 Ų2456.5 Ų56.516%0.15632%0.32CS..PPolyproline II helixtrans-64.8154.4-174.8-23.334.3000113.6F74 W77 I79 G83 F84F74-P81 HydrophobicContact CD1-CB 3.72Å; F74-P81 HydrophobicContact CD1-CG 4.04Å; F74-P81 HydrophobicContact CE1-CB 4Å; W77-P81 HydrophobicContact CE3-CG 4.16Å; W77-P81 HydrophobicContact CZ3-CG 4.14Å; I79-P81 VanDerWaalsContact O-CD 3.32Å; I79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-G83 PolarHBondContact O-N 3.47Å; P81-F84 HydrophobicContact CB-CD2 3.96Å; P81-F84 HydrophobicContact CB-CE2 4.29Å; P81-F84 HydrophobicContact CG-CD2 4.35Å; P81-F84 PolarHBondContact O-N 3.23Å; P81-F84 VanDerWaalsContact O-N 3.15Å
82T79.6Confident79Confident134 Ų13460.5 Ų60.582%0.82235%0.348SS*.THydrogen-bonded Turntrans-60129-177.742.30000111.9
83G81.1Confident77.4Confident50 Ų5063.3 Ų63.352%0.51536%0.359SS..THydrogen-bonded Turntrans93.9-10.9-177.100000115.2P81 Y125P81-G83 PolarHBondContact O-N 3.47Å; G83-Y125 WeakPolarHBondContact O-CD2 3.04Å
84F88.2Confident76.1Confident14 Ų1465.3 Ų65.36%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-80.5140.7166.6-76.8-94.4000111.1F74 W77 L80 P81 L123 S124 Y125 W190 I210F74-F84 HydrophobicContact CB-CE2 4.47Å; F74-F84 AromaticContact CD1-CE2 3.87Å; F74-F84 HydrophobicContact CD1-CE2 3.87Å; F74-F84 AromaticContact CD2-CE2 3.67Å; F74-F84 HydrophobicContact CD2-CE2 3.67Å; F74-F84 AromaticContact CD2-CZ 3.82Å; F74-F84 HydrophobicContact CD2-CZ 3.82Å; F74-F84 AromaticContact CE1-CE2 3.94Å; F74-F84 HydrophobicContact CE1-CE2 3.94Å; F74-F84 AromaticContact CE2-CE2 3.74Å; F74-F84 HydrophobicContact CE2-CE2 3.74Å; F74-F84 HydrophobicContact CE2-CZ 4.1Å; F74-F84 AromaticContact CG-CE2 3.73Å; F74-F84 HydrophobicContact CG-CE2 3.73Å; F74-F84 HydrophobicContact CG-CZ 4.16Å; F74-F84 AromaticContact CZ-CE2 3.88Å; F74-F84 HydrophobicContact CZ-CE2 3.88Å; W77-F84 HydrophobicContact CH2-CD1 4.32Å; W77-F84 AromaticContact CH2-CE1 3.88Å; W77-F84 HydrophobicContact CH2-CE1 3.88Å; W77-F84 HydrophobicContact CH2-CE2 4.15Å; W77-F84 AromaticContact CH2-CZ 3.79Å; W77-F84 HydrophobicContact CH2-CZ 3.79Å; L80-F84 HydrophobicContact CD1-CB 3.83Å; L80-F84 HydrophobicContact CD1-CG 4.49Å; L80-F84 HydrophobicContact CD2-CB 4.18Å; L80-F84 HydrophobicContact CG-CB 3.82Å; P81-F84 HydrophobicContact CB-CD2 3.96Å; P81-F84 HydrophobicContact CB-CE2 4.29Å; P81-F84 HydrophobicContact CG-CD2 4.35Å; P81-F84 PolarHBondContact O-N 3.23Å; P81-F84 VanDerWaalsContact O-N 3.15Å; F84-L123 HydrophobicContact CB-CD1 4.33Å; F84-L123 HydrophobicContact CD1-CD1 3.87Å; F84-L123 HydrophobicContact CD1-CD2 4.22Å; F84-L123 HydrophobicContact CD1-CG 4.01Å; F84-L123 HydrophobicContact CE1-CD2 4.4Å; F84-S124 WeakPolarHBondContact CA-O 3.31Å; F84-Y125 HydrophobicContact CD1-CD2 4.3Å; F84-Y125 HydrophobicContact CD1-CG 4.45Å; F84-Y125 AromaticContact CD2-CD2 3.6Å; F84-Y125 HydrophobicContact CD2-CD2 3.6Å; F84-Y125 HydrophobicContact CD2-CE2 4.14Å; F84-Y125 HydrophobicContact CD2-CG 4.4Å; F84-Y125 HydrophobicContact CE1-CD2 4.3Å; F84-Y125 HydrophobicContact CE1-CG 4.17Å; F84-Y125 AromaticContact CE2-CD2 3.59Å; F84-Y125 HydrophobicContact CE2-CD2 3.59Å; F84-Y125 HydrophobicContact CE2-CE2 4.02Å; F84-Y125 HydrophobicContact CE2-CG 4.11Å; F84-Y125 AromaticContact CG-CD2 3.97Å; F84-Y125 HydrophobicContact CG-CD2 3.97Å; F84-Y125 AromaticContact CZ-CD2 3.95Å; F84-Y125 HydrophobicContact CZ-CD2 3.95Å; F84-Y125 AromaticContact CZ-CG 3.99Å; F84-Y125 HydrophobicContact CZ-CG 3.99Å; F84-W190 HydrophobicContact CE1-CH2 4.26Å; F84-W190 AromaticContact CE1-CZ3 3.9Å; F84-W190 HydrophobicContact CE1-CZ3 3.9Å; F84-I210 HydrophobicContact CE1-CD1 4Å; F84-I210 HydrophobicContact CZ-CD1 4.05Å
85I89.5Confident74Confident107 Ų10773 Ų7355%0.54942%0.424SS..EExtended strand (participates in β ladder)trans-128.3135.6176.4-56176.5000107.9L123 S124I85-L123 WeakPolarHBondContact O-CA 3.45Å; I85-S124 PolarHBondContact N-O 3.42Å; I85-S124 PolarHBondContact O-N 3.44Å
86T90.8Very high72.8Confident34 Ų3473.9 Ų73.921%0.20944%0.437CS..EExtended strand (participates in β ladder)trans-126.8141.2171.6-173.20000111.9L80 T104 W105 T122L80-T86 HydrophobicContact CD2-CG2 4.26Å; T86-T104 HydrophobicContact CG2-CG2 4.13Å; T86-W105 PolarHBondContact OG1-N 3.46Å; T86-T122 VanDerWaalsContact CA-O 3.24Å; T86-T122 WeakPolarHBondContact CA-O 2.97Å; T86-T122 PolarHBondContact OG1-O 2.9Å; T86-T122 VanDerWaalsContact OG1-O 3.06Å
87H87.5Confident71.8Confident85 Ų8577.9 Ų77.939%0.39445%0.453SS..EExtended strand (participates in β ladder)trans-154.4150.7177.963.6-80.1000111.3T122H87-T122 PolarHBondContact N-O 3.33Å; H87-T122 PolarHBondContact O-N 2.87Å
88G82.8Confident71Confident13 Ų1380.1 Ų80.113%0.13447%0.465CS..EExtended strand (participates in β ladder)trans-96.4136.7171.100000111.9C100 S103 T120G88-C100 WeakPolarHBondContact CA-O 3.22Å; G88-S103 WeakPolarHBondContact CA-O 3.45Å; G88-S103 PolarHBondContact N-O 2.95Å; G88-T120 CarbonylContact C-O 3.6Å; G88-T120 WeakPolarHBondContact CA-O 3.43Å
89T76.9Confident70.7Confident59 Ų5979.2 Ų79.236%0.36246%0.46SS..EExtended strand (participates in β ladder)trans-86.8111.8178.9-48.30000110.5R91 C100 T120T89-R91 PolarHBondContact O-N 3.19Å; T89-C100 WeakPolarHBondContact O-CB 3.38Å; T89-C100 PolarHBondContact O-SG 3.17Å; T89-T120 PolarHBondContact N-O 2.97Å
90T64.5Low70.4Confident63 Ų6372.7 Ų72.739%0.38743%0.427SS..  trans-70118.2170.950.80000110.6C100T90-C100 HydrophobicContact CG2-CB 4.26Å
91R59.2Low70.1Confident70 Ų7073.7 Ų73.726%0.26444%0.438SS..  trans-92146.4171-92.9175.8150.4-176.4-9.9111.5T89 E685T89-R91 PolarHBondContact O-N 3.19Å; R91-E685 IonicContact CZ-OE1 3.57Å; R91-E685 IonicContact NE-OE1 3Å; R91-E685 PolarHBondContact NE-OE1 2.89Å; R91-E685 VanDerWaalsContact NE-OE1 3.17Å; R91-E685 IonicContact NH2-OE1 2.92Å; R91-E685 PolarHBondContact NH2-OE1 2.82Å
92S50.2Low69.8Low94 Ų9479.8 Ų79.866%0.65747%0.469SS*.  trans-131.379.2175.661.30000110.7
93E47.4Very low70Confident102 Ų10273.7 Ų73.748%0.47743%0.432SS..  trans-95.1100.9169.2-69.4-156.5154.800109.8
94G56.9Low70.3Confident70 Ų7073.4 Ų73.472%0.72242%0.42SS*.THydrogen-bonded Turntrans73.3-140.5178.200000113.9A96G94-A96 VanDerWaalsContact C-N 3.3Å; G94-A96 PolarHBondContact O-N 3.49Å
95N41Very low70.4Confident183 Ų18372.9 Ų72.998%0.97942%0.418SS*.THydrogen-bonded Turntrans-82.11.2-171.6-71.1-5000114.7
96A49.3Very low70.4Confident58 Ų5870.2 Ų70.248%0.47941%0.407SS..  trans-101.9113.3-179.800000110.8G94G94-A96 VanDerWaalsContact C-N 3.3Å; G94-A96 PolarHBondContact O-N 3.49Å
97F56.4Low70.2Confident158 Ų15870.9 Ų70.969%0.69341%0.412SS*.  trans-95.2111173.6-175.9-92.9000110.2N99F97-N99 HydrophobicContact CE1-CB 4.13Å
98I63.9Low69.8Low48 Ų4872.5 Ų72.525%0.24642%0.418CS..  trans-101.8107.9-176.4-55.1157.2000108.7C100 R638I98-C100 PolarHBondContact O-N 3.07Å; I98-R638 WeakPolarHBondContact CD1-O 3.18Å
99N70.1Confident69.3Low106 Ų10672.7 Ų72.757%0.56742%0.42SS*.  trans-80.886-178-171.82.3000112.2F97 S101F97-N99 HydrophobicContact CE1-CB 4.13Å; N99-S101 PolarHBondContact O-N 3.03Å; N99-S101 VanDerWaalsContact OD1-CB 3.25Å; N99-S101 WeakPolarHBondContact OD1-CB 3.34Å; N99-S101 PolarHBondContact OD1-N 2.97Å; N99-S101 VanDerWaalsContact OD1-N 3.16Å; N99-S101 PolarHBondContact OD1-OG 3.45Å
100C76.2Confident69.1Low4 Ų474.7 Ų74.73%0.02743%0.428CS..G310 helixtrans-76.811.4175.4-62.70000115.3G88 T89 T90 I98 N102 S103 C119G88-C100 WeakPolarHBondContact CA-O 3.22Å; T89-C100 WeakPolarHBondContact O-CB 3.38Å; T89-C100 PolarHBondContact O-SG 3.17Å; T90-C100 HydrophobicContact CG2-CB 4.26Å; I98-C100 PolarHBondContact O-N 3.07Å; C100-N102 PolarHBondContact O-N 3.37Å; C100-N102 VanDerWaalsContact O-N 3.11Å; C100-S103 WeakPolarHBondContact O-CB 3.06Å; C100-S103 PolarHBondContact O-N 3.47Å; C100-S103 PolarHBondContact O-OG 3.36Å; C100-C119 WeakPolarHBondContact CA-SG 3.4Å; C100-C119 HydrophobicContact CB-CB 3.55Å; C100-C119 WeakPolarHBondContact CB-SG 3.49Å; C100-C119 WeakPolarHBondContact SG-CB 3.2Å; C100-C119 CovalentContact SG-SG 2.03Å; C100-C119 PolarHBondContact SG-SG 3.21Å
101S76.6Confident69.8Low72 Ų7273.6 Ų73.650%0.50342%0.417SS..G310 helixtrans-62-23.9-173.5-56.70000114.3N99N99-S101 PolarHBondContact O-N 3.03Å; N99-S101 VanDerWaalsContact OD1-CB 3.25Å; N99-S101 WeakPolarHBondContact OD1-CB 3.34Å; N99-S101 PolarHBondContact OD1-N 2.97Å; N99-S101 VanDerWaalsContact OD1-N 3.16Å; N99-S101 PolarHBondContact OD1-OG 3.45Å
102N78.1Confident71.2Confident152 Ų15270.2 Ų70.281%0.81341%0.405SS*.G310 helixtrans-91-4.3177.3-68.74.6000113.3C100 T104C100-N102 PolarHBondContact O-N 3.37Å; C100-N102 VanDerWaalsContact O-N 3.11Å; N102-T104 PolarHBondContact O-N 2.04Å
103S82.9Confident73Confident6 Ų666.1 Ų66.14%0.04238%0.376CS..  trans-87.785.7-174.4-52.20000110G88 C100 D117 C119 A121G88-S103 WeakPolarHBondContact CA-O 3.45Å; G88-S103 PolarHBondContact N-O 2.95Å; C100-S103 WeakPolarHBondContact O-CB 3.06Å; C100-S103 PolarHBondContact O-N 3.47Å; C100-S103 PolarHBondContact O-OG 3.36Å; S103-D117 VanDerWaalsContact CB-OD1 3.31Å; S103-D117 WeakPolarHBondContact CB-OD1 3.49Å; S103-D117 PolarHBondContact OG-OD1 3.12Å; S103-D117 VanDerWaalsContact OG-OD1 3.08Å; S103-D117 PolarHBondContact OG-OD2 3.06Å; S103-C119 VanDerWaalsContact OG-CB 3.31Å; S103-C119 WeakPolarHBondContact OG-CB 3.21Å; S103-C119 PolarHBondContact OG-SG 3.47Å; S103-C119 VanDerWaalsContact OG-SG 3.42Å; S103-A121 VanDerWaalsContact O-CB 3.29Å; S103-A121 WeakPolarHBondContact O-CB 3.47Å
104T88.1Confident74.9Confident43 Ų4361.5 Ų61.526%0.26436%0.356SS..  trans-124.6167.5-172.655.10000112.9T86 N102T86-T104 HydrophobicContact CG2-CG2 4.13Å; N102-T104 PolarHBondContact O-N 2.04Å
105W90.8Very high76.3Confident4 Ų458.7 Ų58.72%0.01532%0.324CS..  trans-79.7132.9168.1-73.174.4000109.9T86 V112 A113 A121 L123 F148 W190 T192 V205 L207T86-W105 PolarHBondContact OG1-N 3.46Å; W105-V112 HydrophobicContact CB-CG2 3.96Å; W105-V112 HydrophobicContact CE3-CG1 4.23Å; W105-V112 HydrophobicContact CE3-CG2 4.35Å; W105-A113 CarbonylContact C-O 3.55Å; W105-A113 VanDerWaalsContact CA-O 3.31Å; W105-A113 WeakPolarHBondContact CA-O 3.42Å; W105-A121 PolarHBondContact NE1-O 2.89Å; W105-L123 HydrophobicContact CB-CB 4.31Å; W105-L123 HydrophobicContact CB-CD1 4.37Å; W105-L123 HydrophobicContact CD2-CB 4.03Å; W105-L123 HydrophobicContact CD2-CD2 4.39Å; W105-L123 HydrophobicContact CE3-CD2 4.45Å; W105-L123 HydrophobicContact CG-CB 3.77Å; W105-F148 HydrophobicContact CH2-CE2 4.26Å; W105-F148 HydrophobicContact CZ2-CE2 4.44Å; W105-W190 HydrophobicContact CZ2-CB 4.28Å; W105-T192 HydrophobicContact CH2-CG2 4.06Å; W105-T192 HydrophobicContact CZ2-CG2 3.63Å; W105-V205 HydrophobicContact CH2-CB 4.12Å; W105-V205 HydrophobicContact CH2-CG1 3.94Å; W105-V205 HydrophobicContact CZ3-CG1 4.49Å; W105-L207 HydrophobicContact CE3-CD1 4.21Å; W105-L207 HydrophobicContact CH2-CD1 3.56Å; W105-L207 HydrophobicContact CH2-CG 4.06Å; W105-L207 HydrophobicContact CZ2-CD1 4.35Å; W105-L207 HydrophobicContact CZ3-CB 4.32Å; W105-L207 HydrophobicContact CZ3-CD1 3.49Å; W105-L207 VanDerWaalsContact CZ3-CD1 3.49Å; W105-L207 HydrophobicContact CZ3-CG 3.83Å
106T88.6Confident78Confident50 Ų5053.9 Ų53.931%0.30730%0.301SS..EExtended strand (participates in β ladder)trans-118.1129.4-170.661.50000112.8K108 V112 A113T106-K108 WeakPolarHBondContact OG1-CE 3.21Å; T106-V112 WeakPolarHBondContact O-CA 3.1Å; T106-V112 WeakPolarHBondContact O-CG2 3.4Å; T106-A113 PolarHBondContact N-O 3.49Å; T106-A113 PolarHBondContact O-N 2.96Å
107P87.1Confident79.2Confident49 Ų4952.6 Ų52.632%0.31829%0.286SS..EExtended strand (participates in β ladder)trans-64.7146.1174.322.6-30.1000112.2W77W77-P107 WeakPolarHBondContact O-CB 3.07Å
108K79.2Confident80Confident118 Ų11846.1 Ų46.151%0.51326%0.258SS..  trans-140.522.7-176.6-61.3-65.2172.9-1710113.8W77 T106 D110 Y111 A113W77-K108 PolarHBondContact O-N 3.3Å; T106-K108 WeakPolarHBondContact OG1-CE 3.21Å; K108-D110 PolarHBondContact O-N 3.15Å; K108-Y111 WeakPolarHBondContact CA-O 3.46Å; K108-Y111 HydrophobicContact CB-CD1 4.41Å; K108-Y111 HydrophobicContact CB-CD2 3.92Å; K108-Y111 HydrophobicContact CB-CE1 4.17Å; K108-Y111 HydrophobicContact CB-CE2 3.64Å; K108-Y111 HydrophobicContact CB-CG 4.3Å; K108-Y111 WeakPolarHBondContact CB-O 3.46Å; K108-Y111 HydrophobicContact CG-CD2 4.2Å; K108-Y111 HydrophobicContact CG-CE2 3.72Å; K108-Y111 PolarHBondContact N-O 2.77Å; K108-A113 HydrophobicContact CG-CB 4.18Å
109G72.1Confident80.7Confident18 Ų1844 Ų4419%0.18625%0.248CC..BIsolated β-bridgetrans88.9-77.6-179.900000112.1W77W77-G109 CarbonylContact C-O 3.51Å; W77-G109 VanDerWaalsContact C-O 3.24Å; W77-G109 WeakPolarHBondContact CA-O 3.02Å; W77-G109 WeakPolarHBondContact CB-O 3.15Å; W77-G109 PolarHBondContact N-O 3.06Å; W77-G109 PolarHBondContact O-N 2.04Å
110D71.8Confident81.3Confident101 Ų10139.7 Ų39.754%0.5423%0.225SC..SBendtrans-89.9-9.4-179.6-73.9-52.5000114.2K108 R208K108-D110 PolarHBondContact O-N 3.15Å; D110-R208 WeakPolarHBondContact O-CB 3.28Å
111Y80.8Confident81.9Confident39 Ų3939.5 Ų39.515%0.15322%0.224CC..  trans-154.3168.5-17860.4-87.8000112.6W77 K108 A113 W174 L206 L207W77-Y111 WeakPolarHBondContact CB-O 3.26Å; K108-Y111 WeakPolarHBondContact CA-O 3.46Å; K108-Y111 HydrophobicContact CB-CD1 4.41Å; K108-Y111 HydrophobicContact CB-CD2 3.92Å; K108-Y111 HydrophobicContact CB-CE1 4.17Å; K108-Y111 HydrophobicContact CB-CE2 3.64Å; K108-Y111 HydrophobicContact CB-CG 4.3Å; K108-Y111 WeakPolarHBondContact CB-O 3.46Å; K108-Y111 HydrophobicContact CG-CD2 4.2Å; K108-Y111 HydrophobicContact CG-CE2 3.72Å; K108-Y111 PolarHBondContact N-O 2.77Å; Y111-A113 HydrophobicContact CD2-CB 4.38Å; Y111-A113 HydrophobicContact CE2-CB 4.18Å; Y111-W174 HydrophobicContact CG-CH2 4.22Å; Y111-L206 HydrophobicContact CD2-CB 4.06Å; Y111-L206 HydrophobicContact CD2-CD1 4.12Å; Y111-L206 HydrophobicContact CD2-CD2 3.95Å; Y111-L206 HydrophobicContact CD2-CG 4.27Å; Y111-L206 HydrophobicContact CE2-CD1 3.92Å; Y111-L206 HydrophobicContact CE2-CD2 3.72Å; Y111-L206 HydrophobicContact CE2-CG 4.29Å; Y111-L207 WeakPolarHBondContact CA-O 3.03Å; Y111-L207 WeakPolarHBondContact CB-O 3.33Å
112V87.4Confident82.5Confident0 Ų036.4 Ų36.40%020%0.202CC..EExtended strand (participates in β ladder)trans-111.1135.2166.6670000109.9W77 W105 T106 L123 L206 L207W77-V112 HydrophobicContact CD2-CB 4.12Å; W77-V112 HydrophobicContact CD2-CG1 4.32Å; W77-V112 HydrophobicContact CE3-CB 3.64Å; W77-V112 HydrophobicContact CE3-CG1 3.93Å; W77-V112 HydrophobicContact CE3-CG2 4.36Å; W77-V112 HydrophobicContact CH2-CG1 4.08Å; W77-V112 HydrophobicContact CZ2-CG1 4.47Å; W77-V112 HydrophobicContact CZ3-CB 3.94Å; W77-V112 HydrophobicContact CZ3-CG1 3.78Å; W77-V112 HydrophobicContact CZ3-CG2 4.47Å; W105-V112 HydrophobicContact CB-CG2 3.96Å; W105-V112 HydrophobicContact CE3-CG1 4.23Å; W105-V112 HydrophobicContact CE3-CG2 4.35Å; T106-V112 WeakPolarHBondContact O-CA 3.1Å; T106-V112 WeakPolarHBondContact O-CG2 3.4Å; V112-L123 HydrophobicContact CG1-CD2 4.08Å; V112-L206 CarbonylContact O-C 3.57Å; V112-L206 WeakPolarHBondContact O-CA 3Å; V112-L207 HydrophobicContact CG1-CB 3.72Å; V112-L207 PolarHBondContact N-O 2.88Å; V112-L207 PolarHBondContact O-N 3Å
113A87.6Confident83.3Confident7 Ų729.1 Ų29.16%0.05816%0.163CC..EExtended strand (participates in β ladder)trans-110.3139.7-176.800000111.7W105 T106 K108 Y111 V205 L206W105-A113 CarbonylContact C-O 3.55Å; W105-A113 VanDerWaalsContact CA-O 3.31Å; W105-A113 WeakPolarHBondContact CA-O 3.42Å; T106-A113 PolarHBondContact N-O 3.49Å; T106-A113 PolarHBondContact O-N 2.96Å; K108-A113 HydrophobicContact CG-CB 4.18Å; Y111-A113 HydrophobicContact CD2-CB 4.38Å; Y111-A113 HydrophobicContact CE2-CB 4.18Å; A113-V205 CarbonylContact C-O 3.51Å; A113-L206 HydrophobicContact CB-CD2 3.65Å
114S88.6Confident83.7Confident6 Ų629.4 Ų29.44%0.04217%0.165CC..  trans-67.8172.6175.479.20000112.5P204 V205S114-P204 WeakPolarHBondContact OG-CA 3.09Å; S114-P204 WeakPolarHBondContact OG-CB 3.43Å; S114-V205 WeakPolarHBondContact CB-O 3.42Å; S114-V205 PolarHBondContact N-O 3.13Å; S114-V205 PolarHBondContact OG-N 2.86Å
115N85.5Confident83.8Confident10 Ų1028.8 Ų28.85%0.05316%0.158CC..  trans-64.5155.9163.971.4-45000111.5D117 C119 A121 T192N115-D117 WeakPolarHBondContact CB-OD1 3.4Å; N115-D117 PolarHBondContact ND2-O 2.86Å; N115-D117 PolarHBondContact ND2-OD1 2.97Å; N115-C119 PolarHBondContact ND2-O 2.73Å; N115-A121 HydrophobicContact CB-CB 3.98Å; N115-A121 VanDerWaalsContact CG-CB 3.46Å; N115-A121 WeakPolarHBondContact OD1-CB 3.48Å; N115-T192 PolarHBondContact OD1-OG1 2.86Å; N115-T192 VanDerWaalsContact OD1-OG1 3.09Å
116T77.2Confident83.7Confident82 Ų8231.7 Ų31.750%0.50318%0.183SC..  trans-114.116.6175.454.40000112.3P204T116-P204 HydrophobicContact CG2-CB 3.69Å; T116-P204 HydrophobicContact CG2-CG 3.81Å
117D74.3Confident83.6Confident31 Ų3129.9 Ų29.917%0.16617%0.172CC..SBendtrans-123.1158.6-171.183.2-33.9000112.1S103 N115 C119 T194 R638S103-D117 VanDerWaalsContact CB-OD1 3.31Å; S103-D117 WeakPolarHBondContact CB-OD1 3.49Å; S103-D117 PolarHBondContact OG-OD1 3.12Å; S103-D117 VanDerWaalsContact OG-OD1 3.08Å; S103-D117 PolarHBondContact OG-OD2 3.06Å; N115-D117 WeakPolarHBondContact CB-OD1 3.4Å; N115-D117 PolarHBondContact ND2-O 2.86Å; N115-D117 PolarHBondContact ND2-OD1 2.97Å; D117-C119 PolarHBondContact O-N 2.71Å; D117-T194 WeakPolarHBondContact O-CG2 3.42Å; D117-T194 PolarHBondContact O-OG1 3.19Å; D117-R638 IonicContact OD2-CZ 2.71Å; D117-R638 IonicContact OD2-NH1 2.72Å; D117-R638 PolarHBondContact OD2-NH1 3.11Å; D117-R638 IonicContact OD2-NH2 3.84Å
118E72.7Confident83.4Confident22 Ų2229.6 Ų29.610%0.10317%0.171CC..SBendtrans-72.622.1-164.2-43.5-164.9138.800115.2T194 S196 T636 R638E118-T194 WeakPolarHBondContact CA-O 3.45Å; E118-T194 WeakPolarHBondContact CA-OG1 3.48Å; E118-T194 PolarHBondContact N-OG1 3.22Å; E118-S196 WeakPolarHBondContact OE1-CA 3.32Å; E118-S196 WeakPolarHBondContact OE1-CB 3.46Å; E118-S196 PolarHBondContact OE1-N 3.38Å; E118-T636 WeakPolarHBondContact OE1-CB 3.31Å; E118-T636 WeakPolarHBondContact OE2-CB 3.31Å; E118-T636 PolarHBondContact OE2-OG1 2.94Å; E118-R638 HydrophobicContact CB-CB 4.09Å; E118-R638 HydrophobicContact CB-CG 4.16Å; E118-R638 HydrophobicContact CG-CB 4.35Å; E118-R638 HydrophobicContact CG-CG 4.03Å; E118-R638 WeakPolarHBondContact OE2-CA 3.14Å; E118-R638 WeakPolarHBondContact OE2-CB 3.33Å; E118-R638 WeakPolarHBondContact OE2-CG 3.31Å; E118-R638 PolarHBondContact OE2-N 3.07Å
119C78.1Confident83.5Confident4 Ų424.1 Ų24.13%0.02715%0.147CC..SBendtrans-94.8158.5172.5-74.60000110.7C100 S103 N115 D117C100-C119 WeakPolarHBondContact CA-SG 3.4Å; C100-C119 HydrophobicContact CB-CB 3.55Å; C100-C119 WeakPolarHBondContact CB-SG 3.49Å; C100-C119 WeakPolarHBondContact SG-CB 3.2Å; C100-C119 CovalentContact SG-SG 2.03Å; C100-C119 PolarHBondContact SG-SG 3.21Å; S103-C119 VanDerWaalsContact OG-CB 3.31Å; S103-C119 WeakPolarHBondContact OG-CB 3.21Å; S103-C119 PolarHBondContact OG-SG 3.47Å; S103-C119 VanDerWaalsContact OG-SG 3.42Å; N115-C119 PolarHBondContact ND2-O 2.73Å; D117-C119 PolarHBondContact O-N 2.71Å
120T83Confident83.6Confident15 Ų1527.8 Ų27.89%0.09216%0.158CC..EExtended strand (participates in β ladder)trans-87119.7169.2-58.70000109.4G88 T89 R191 T192 T193G88-T120 CarbonylContact C-O 3.6Å; G88-T120 WeakPolarHBondContact CA-O 3.43Å; T89-T120 PolarHBondContact N-O 2.97Å; T120-R191 HydrophobicContact CG2-CG 3.5Å; T120-R191 VanDerWaalsContact CG2-CG 3.5Å; T120-T192 CarbonylContact C-O 3.54Å; T120-T192 WeakPolarHBondContact CA-O 3.49Å; T120-T193 WeakPolarHBondContact CB-OG1 3.48Å; T120-T193 WeakPolarHBondContact CG2-OG1 3.47Å; T120-T193 WeakPolarHBondContact OG1-CG2 3.32Å; T120-T193 PolarHBondContact OG1-OG1 2.79Å
121A89.2Confident83.9Confident0 Ų025.9 Ų25.90%015%0.15CC..EExtended strand (participates in β ladder)trans-108.2132.4173.300000110.8S103 W105 N115 T192S103-A121 VanDerWaalsContact O-CB 3.29Å; S103-A121 WeakPolarHBondContact O-CB 3.47Å; W105-A121 PolarHBondContact NE1-O 2.89Å; N115-A121 HydrophobicContact CB-CB 3.98Å; N115-A121 VanDerWaalsContact CG-CB 3.46Å; N115-A121 WeakPolarHBondContact OD1-CB 3.48Å; A121-T192 PolarHBondContact N-O 2.04Å; A121-T192 PolarHBondContact O-N 3.15Å; A121-T192 PolarHBondContact O-OG1 2.82Å
122T90.3Very high83.9Confident7 Ų729 Ų294%0.04318%0.175CC..EExtended strand (participates in β ladder)trans-115.9134.2179.6-54.60000109.6T86 H87 Y189T86-T122 VanDerWaalsContact CA-O 3.24Å; T86-T122 WeakPolarHBondContact CA-O 2.97Å; T86-T122 PolarHBondContact OG1-O 2.9Å; T86-T122 VanDerWaalsContact OG1-O 3.06Å; H87-T122 PolarHBondContact N-O 3.33Å; H87-T122 PolarHBondContact O-N 2.87Å; T122-Y189 HydrophobicContact CG2-CD1 3.76Å; T122-Y189 HydrophobicContact CG2-CE1 4.45Å
123L93.5Very high83.8Confident0 Ų029.2 Ų29.20%018%0.177CC..EExtended strand (participates in β ladder)trans-111.1131.9164.6179.569.1000107.2L80 F84 I85 W105 V112 W190 L207L80-L123 HydrophobicContact CD1-CD1 4.11Å; F84-L123 HydrophobicContact CB-CD1 4.33Å; F84-L123 HydrophobicContact CD1-CD1 3.87Å; F84-L123 HydrophobicContact CD1-CD2 4.22Å; F84-L123 HydrophobicContact CD1-CG 4.01Å; F84-L123 HydrophobicContact CE1-CD2 4.4Å; I85-L123 WeakPolarHBondContact O-CA 3.45Å; W105-L123 HydrophobicContact CB-CB 4.31Å; W105-L123 HydrophobicContact CB-CD1 4.37Å; W105-L123 HydrophobicContact CD2-CB 4.03Å; W105-L123 HydrophobicContact CD2-CD2 4.39Å; W105-L123 HydrophobicContact CE3-CD2 4.45Å; W105-L123 HydrophobicContact CG-CB 3.77Å; V112-L123 HydrophobicContact CG1-CD2 4.08Å; L123-W190 HydrophobicContact CB-CB 4.39Å; L123-W190 HydrophobicContact CD2-CE3 4.27Å; L123-W190 HydrophobicContact CG-CE3 4.25Å; L123-W190 PolarHBondContact N-O 2.81Å; L123-W190 PolarHBondContact O-N 3.14Å; L123-L207 HydrophobicContact CD2-CD1 4.15Å
124S91.7Very high83.8Confident12 Ų1230.7 Ų30.78%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-136.6145.3179.162.80000113.1F84 I85 L188F84-S124 WeakPolarHBondContact CA-O 3.31Å; I85-S124 PolarHBondContact N-O 3.42Å; I85-S124 PolarHBondContact O-N 3.44Å; S124-L188 WeakPolarHBondContact CA-O 3.07Å; S124-L188 WeakPolarHBondContact CB-O 3.34Å
125Y91.4Very high83.9Confident30 Ų3030.4 Ų30.412%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-134.1132.7176.7-178.5-106.1000110.1F74 G83 F84 V127 L188F74-Y125 HydrophobicContact CE2-CE1 4.08Å; F74-Y125 HydrophobicContact CE2-CE2 4.19Å; F74-Y125 AromaticContact CE2-CZ 3.86Å; F74-Y125 HydrophobicContact CZ-CE1 4.32Å; F74-Y125 AromaticContact CZ-CE2 3.8Å; F74-Y125 HydrophobicContact CZ-CE2 3.8Å; F74-Y125 AromaticContact CZ-CZ 3.63Å; G83-Y125 WeakPolarHBondContact O-CD2 3.04Å; F84-Y125 HydrophobicContact CD1-CD2 4.3Å; F84-Y125 HydrophobicContact CD1-CG 4.45Å; F84-Y125 AromaticContact CD2-CD2 3.6Å; F84-Y125 HydrophobicContact CD2-CD2 3.6Å; F84-Y125 HydrophobicContact CD2-CE2 4.14Å; F84-Y125 HydrophobicContact CD2-CG 4.4Å; F84-Y125 HydrophobicContact CE1-CD2 4.3Å; F84-Y125 HydrophobicContact CE1-CG 4.17Å; F84-Y125 AromaticContact CE2-CD2 3.59Å; F84-Y125 HydrophobicContact CE2-CD2 3.59Å; F84-Y125 HydrophobicContact CE2-CE2 4.02Å; F84-Y125 HydrophobicContact CE2-CG 4.11Å; F84-Y125 AromaticContact CG-CD2 3.97Å; F84-Y125 HydrophobicContact CG-CD2 3.97Å; F84-Y125 AromaticContact CZ-CD2 3.95Å; F84-Y125 HydrophobicContact CZ-CD2 3.95Å; F84-Y125 AromaticContact CZ-CG 3.99Å; F84-Y125 HydrophobicContact CZ-CG 3.99Å; Y125-V127 HydrophobicContact CD1-CB 4.26Å; Y125-V127 HydrophobicContact CE1-CB 3.81Å; Y125-V127 HydrophobicContact CE1-CG2 4.23Å; Y125-L188 HydrophobicContact CD1-CD1 4.18Å; Y125-L188 PolarHBondContact N-O 3.42Å; Y125-L188 PolarHBondContact O-N 2.83Å
126A87.8Confident84.2Confident65 Ų6530.9 Ų30.954%0.53719%0.187SC..EExtended strand (participates in β ladder)trans-106.3130.2-179.600000110.9V187A126-V187 HydrophobicContact CB-CG2 4.28Å
127V85.9Confident84.9Confident12 Ų1227 Ų277%0.07316%0.163CC..EExtended strand (participates in β ladder)trans-139.1138.3-175.467.60000111.9Y125 L129 N186 V212 V215Y125-V127 HydrophobicContact CD1-CB 4.26Å; Y125-V127 HydrophobicContact CE1-CB 3.81Å; Y125-V127 HydrophobicContact CE1-CG2 4.23Å; V127-L129 HydrophobicContact CG1-CD2 4.3Å; V127-L129 HydrophobicContact CG1-CG 4.43Å; V127-L129 HydrophobicContact CG2-CD2 3.8Å; V127-N186 HydrophobicContact CG1-CB 4.1Å; V127-N186 PolarHBondContact N-O 3.36Å; V127-N186 PolarHBondContact O-N 3.41Å; V127-V212 HydrophobicContact CG1-CG1 4.21Å; V127-V212 HydrophobicContact CG2-CG1 4.17Å; V127-V215 HydrophobicContact CG2-CG1 3.85Å
128S82.9Confident85.5Confident43 Ų4327.5 Ų27.530%0.30117%0.165SC..EExtended strand (participates in β ladder)trans-108.8106.2177.8-165.80000110.6K130 G184 N185S128-K130 PolarHBondContact OG-NZ 2.99Å; S128-G184 WeakPolarHBondContact CA-O 3.45Å; S128-N185 VanDerWaalsContact CB-OD1 3.23Å; S128-N185 WeakPolarHBondContact CB-OD1 3.35Å; S128-N185 PolarHBondContact OG-OD1 3.15Å
129L81.8Confident86.2Confident2 Ų227 Ų271%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-91.5133.6-176.5-55.7-178000110.8V127 L181 G184 V212 S213 G214 V215V127-L129 HydrophobicContact CG1-CD2 4.3Å; V127-L129 HydrophobicContact CG1-CG 4.43Å; V127-L129 HydrophobicContact CG2-CD2 3.8Å; L129-L181 HydrophobicContact CD1-CB 3.37Å; L129-L181 HydrophobicContact CD1-CD1 3.81Å; L129-L181 HydrophobicContact CD1-CG 4.26Å; L129-G184 PolarHBondContact N-O 3.25Å; L129-G184 PolarHBondContact O-N 2.78Å; L129-V212 HydrophobicContact CD2-CG1 3.95Å; L129-S213 WeakPolarHBondContact CD2-O 3.04Å; L129-G214 CarbonylContact C-O 3.55Å; L129-G214 WeakPolarHBondContact CA-O 3.28Å; L129-V215 HydrophobicContact CD2-CG1 4.03Å
130K75.2Confident86.3Confident95 Ų9528.2 Ų28.241%0.41317%0.167SC..SBendtrans-101.3-19.9179.7-52.8-47.6-179.2-164.20112.7S128 G214 A216S128-K130 PolarHBondContact OG-NZ 2.99Å; K130-G214 PolarHBondContact N-O 2.94Å; K130-A216 HydrophobicContact CG-CB 3.92Å
131T76.6Confident86.2Confident61 Ų6127.7 Ų27.737%0.37416%0.163SC..SBendtrans-123.3161.4165.1500000109.6G133 T183 G214T131-G133 PolarHBondContact O-N 2.93Å; T131-T183 VanDerWaalsContact C-CG2 3.46Å; T131-G214 PolarHBondContact N-O 3.2Å
132P81.8Confident85Confident106 Ų10629.5 Ų29.569%0.68818%0.175SC*.  trans-55.1128.9172.1-23.934.3000109.7T183P132-T183 HydrophobicContact CG-CG2 4Å
133G84.6Confident83.7Confident4 Ų430.5 Ų30.54%0.04118%0.181CC..EExtended strand (participates in β ladder)trans-114.7176.2-16800000113.2T131 L181 S213T131-G133 PolarHBondContact O-N 2.93Å; G133-L181 PolarHBondContact N-O 2.89Å; G133-L181 PolarHBondContact O-N 3.44Å; G133-S213 WeakPolarHBondContact CA-O 3.4Å
134V88.2Confident82.3Confident38 Ų3832.7 Ų32.723%0.2319%0.192CC..EExtended strand (participates in β ladder)trans-137.4128.6173.1-179.20000108.6K178 I179 S213V134-K178 HydrophobicContact CG1-CD 4.18Å; V134-K178 HydrophobicContact CG1-CG 3.65Å; V134-I179 WeakPolarHBondContact CA-O 3.37Å; V134-S213 PolarHBondContact N-O 2.98Å; V134-S213 PolarHBondContact N-OG 3.28Å; V134-S213 PolarHBondContact O-N 3.17Å; V134-S213 PolarHBondContact O-OG 2.96Å
135L90.6Very high81Confident0 Ų033.1 Ų33.10%020%0.195CC..EExtended strand (participates in β ladder)trans-90.9137163.6167.170.1000109F137 F150 K178 I179 L181 L188 W190 I210 Q211 V212L135-F137 HydrophobicContact CD1-CD1 4.06Å; L135-F137 HydrophobicContact CD2-CD1 3.91Å; L135-F137 HydrophobicContact CD2-CE1 3.91Å; L135-F137 HydrophobicContact CG-CD1 3.93Å; L135-F137 HydrophobicContact CG-CE1 4.37Å; L135-F150 HydrophobicContact CD2-CE1 4.04Å; L135-F150 HydrophobicContact CD2-CE2 3.73Å; L135-F150 HydrophobicContact CD2-CZ 3.24Å; L135-K178 CarbonylContact O-C 3.56Å; L135-K178 VanDerWaalsContact O-CA 3.3Å; L135-K178 WeakPolarHBondContact O-CA 3.38Å; L135-I179 HydrophobicContact CB-CG2 3.87Å; L135-I179 HydrophobicContact CD2-CG2 3.93Å; L135-I179 HydrophobicContact CG-CG2 4.26Å; L135-I179 PolarHBondContact N-O 2.93Å; L135-I179 PolarHBondContact O-N 2.89Å; L135-L181 HydrophobicContact CB-CD1 3.91Å; L135-L181 HydrophobicContact CB-CG 4.23Å; L135-L188 HydrophobicContact CD1-CD1 3.95Å; L135-L188 HydrophobicContact CD2-CD1 3.97Å; L135-L188 HydrophobicContact CD2-CD2 4.16Å; L135-L188 HydrophobicContact CG-CD1 4.48Å; L135-W190 HydrophobicContact CD1-CZ2 4.37Å; L135-W190 HydrophobicContact CD2-CZ2 4.38Å; L135-I210 HydrophobicContact CD1-CG2 3.87Å; L135-Q211 WeakPolarHBondContact CA-O 3.34Å; L135-V212 HydrophobicContact CD1-CG2 3.89Å
136S91.2Very high80.2Confident19 Ų1931.8 Ų31.813%0.13319%0.19CC..EExtended strand (participates in β ladder)trans-135.5142.6163.447.50000110.4Y177 Q211S136-Y177 VanDerWaalsContact CA-O 3.25Å; S136-Y177 WeakPolarHBondContact CA-O 3.19Å; S136-Q211 PolarHBondContact N-O 2.86Å; S136-Q211 PolarHBondContact O-N 2.98Å
137F91.4Very high79.7Confident0 Ų029.5 Ų29.50%017%0.168CC..EExtended strand (participates in β ladder)trans-149.8153.8174.659.7-97.7000111.8L135 Y139 F150 M167 Y177 W190 L207 I210L135-F137 HydrophobicContact CD1-CD1 4.06Å; L135-F137 HydrophobicContact CD2-CD1 3.91Å; L135-F137 HydrophobicContact CD2-CE1 3.91Å; L135-F137 HydrophobicContact CG-CD1 3.93Å; L135-F137 HydrophobicContact CG-CE1 4.37Å; F137-Y139 HydrophobicContact CD2-CD1 4.06Å; F137-Y139 AromaticContact CE2-CD1 3.72Å; F137-Y139 HydrophobicContact CE2-CD1 3.72Å; F137-Y139 HydrophobicContact CE2-CG 4.23Å; F137-F150 HydrophobicContact CE1-CD1 4.34Å; F137-F150 AromaticContact CE1-CD2 3.86Å; F137-F150 HydrophobicContact CE1-CD2 3.86Å; F137-F150 HydrophobicContact CE1-CE1 4.45Å; F137-F150 AromaticContact CE1-CE2 3.96Å; F137-F150 HydrophobicContact CE1-CE2 3.96Å; F137-F150 HydrophobicContact CE1-CG 4.07Å; F137-F150 HydrophobicContact CE1-CZ 4.28Å; F137-F150 HydrophobicContact CZ-CB 4.28Å; F137-F150 HydrophobicContact CZ-CD1 4.43Å; F137-F150 AromaticContact CZ-CD2 3.96Å; F137-F150 HydrophobicContact CZ-CD2 3.96Å; F137-F150 AromaticContact CZ-CG 3.92Å; F137-F150 HydrophobicContact CZ-CG 3.92Å; F137-M167 HydrophobicContact CZ-SD 4.35Å; F137-Y177 HydrophobicContact CD1-CD1 4.27Å; F137-Y177 AromaticContact CE1-CD1 3.46Å; F137-Y177 HydrophobicContact CE1-CD1 3.46Å; F137-Y177 VanDerWaalsContact CE1-CD1 3.46Å; F137-Y177 HydrophobicContact CE1-CE1 4.31Å; F137-Y177 HydrophobicContact CE1-CG 4.1Å; F137-Y177 HydrophobicContact CE2-CG 4.38Å; F137-Y177 AromaticContact CZ-CD1 3.6Å; F137-Y177 HydrophobicContact CZ-CD1 3.6Å; F137-Y177 HydrophobicContact CZ-CE1 4.47Å; F137-Y177 AromaticContact CZ-CG 3.85Å; F137-Y177 HydrophobicContact CZ-CG 3.85Å; F137-Y177 PolarHBondContact N-O 3.42Å; F137-Y177 VanDerWaalsContact N-O 3.15Å; F137-Y177 PolarHBondContact O-N 2.87Å; F137-W190 HydrophobicContact CD1-CZ2 4.04Å; F137-W190 AromaticContact CD1-NE1 3.59Å; F137-W190 AromaticContact CD2-NE1 3.87Å; F137-W190 HydrophobicContact CE1-CZ2 4.28Å; F137-W190 AromaticContact CE1-NE1 3.26Å; F137-W190 VanDerWaalsContact CE1-NE1 3.26Å; F137-W190 AromaticContact CE2-NE1 3.58Å; F137-W190 AromaticContact CG-NE1 3.88Å; F137-W190 AromaticContact CZ-CD1 3.84Å; F137-W190 AromaticContact CZ-NE1 3.27Å; F137-W190 VanDerWaalsContact CZ-NE1 3.27Å; F137-L207 HydrophobicContact CD2-CD2 3.58Å; F137-L207 HydrophobicContact CE2-CD2 3.85Å; F137-L207 HydrophobicContact CG-CD2 4.45Å; F137-I210 HydrophobicContact CB-CB 4.31Å; F137-I210 HydrophobicContact CB-CG1 3.89Å; F137-I210 HydrophobicContact CB-CG2 4.45Å
138E87.8Confident79.7Confident42 Ų4229 Ų2920%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-95.2135168.6-78.4175.8-128.100110W174 S175 L207 R208 N209E138-W174 HydrophobicContact CB-CB 4.43Å; E138-W174 HydrophobicContact CB-CE3 4.01Å; E138-S175 CarbonylContact C-O 3.59Å; E138-S175 WeakPolarHBondContact CA-O 3.43Å; E138-L207 WeakPolarHBondContact O-CA 3.42Å; E138-R208 HydrophobicContact CB-CG 3.79Å; E138-R208 PolarHBondContact N-O 2.74Å; E138-R208 PolarHBondContact O-N 2.97Å; E138-R208 VanDerWaalsContact O-O 3.1Å; E138-R208 IonicContact OE2-CZ 2.8Å; E138-R208 VanDerWaalsContact OE2-CZ 3.23Å; E138-R208 IonicContact OE2-NE 2.68Å; E138-R208 PolarHBondContact OE2-NE 3Å; E138-R208 IonicContact OE2-NH2 2.92Å; E138-R208 PolarHBondContact OE2-NH2 3.45Å; E138-N209 HydrophobicContact CB-CB 4.41Å; E138-N209 HydrophobicContact CG-CB 4.42Å; E138-N209 PolarHBondContact OE1-ND2 3.03Å
139Y87.1Confident79.8Confident12 Ų1227.6 Ų27.65%0.04715%0.153CC..EExtended strand (participates in β ladder)trans-134.5150.6175.971.1-86.8000111.8F137 F148 M167 R168 S170 W174 S175 L206F137-Y139 HydrophobicContact CD2-CD1 4.06Å; F137-Y139 AromaticContact CE2-CD1 3.72Å; F137-Y139 HydrophobicContact CE2-CD1 3.72Å; F137-Y139 HydrophobicContact CE2-CG 4.23Å; Y139-F148 HydrophobicContact CD2-CD1 4.26Å; Y139-F148 AromaticContact CD2-CE1 3.7Å; Y139-F148 HydrophobicContact CD2-CE1 3.7Å; Y139-F148 HydrophobicContact CE2-CE1 4.28Å; Y139-F148 HydrophobicContact CG-CE1 4.01Å; Y139-M167 HydrophobicContact CE1-SD 4.42Å; Y139-M167 HydrophobicContact CE2-CB 4.11Å; Y139-R168 VanDerWaalsContact CE2-O 3.28Å; Y139-R168 WeakPolarHBondContact CE2-O 3.35Å; Y139-R168 PolarHBondContact OH-N 3.14Å; Y139-R168 PolarHBondContact OH-O 2.95Å; Y139-S170 PolarHBondContact O-OG 3.11Å; Y139-W174 CarbonylContact O-C 3.47Å; Y139-W174 WeakPolarHBondContact O-CA 3.04Å; Y139-S175 WeakPolarHBondContact CD1-O 3.36Å; Y139-S175 VanDerWaalsContact CZ-CB 3.43Å; Y139-S175 PolarHBondContact N-O 2.93Å; Y139-S175 PolarHBondContact O-N 2.72Å; Y139-L206 CarbonylContact C-O 3.5Å; Y139-L206 VanDerWaalsContact CA-O 3.23Å; Y139-L206 WeakPolarHBondContact CA-O 3.48Å
140F81.3Confident80.1Confident30 Ų3027.6 Ų27.613%0.13215%0.153CC..EExtended strand (participates in β ladder)trans-125.9111171.5-176.2-112.4000108.8P142 W174 V205 L206F140-P142 HydrophobicContact CD1-CB 4.27Å; F140-P142 HydrophobicContact CD1-CG 4.19Å; F140-P142 HydrophobicContact CE1-CB 3.64Å; F140-P142 HydrophobicContact CE1-CG 3.88Å; F140-P142 HydrophobicContact CZ-CB 3.81Å; F140-P142 WeakPolarHBondContact O-CD 3.38Å; F140-W174 HydrophobicContact CB-CD2 3.95Å; F140-W174 HydrophobicContact CB-CE3 3.94Å; F140-W174 HydrophobicContact CB-CG 4.49Å; F140-W174 HydrophobicContact CB-CH2 4.45Å; F140-W174 HydrophobicContact CB-CZ2 4.42Å; F140-W174 HydrophobicContact CB-CZ3 4.19Å; F140-V205 CarbonylContact O-C 3.47Å; F140-V205 WeakPolarHBondContact O-CA 3.49Å; F140-L206 HydrophobicContact CB-CB 4.18Å; F140-L206 HydrophobicContact CB-CD1 4.47Å; F140-L206 HydrophobicContact CB-CG 4.42Å; F140-L206 HydrophobicContact CD1-CD1 4Å; F140-L206 HydrophobicContact CD1-CG 4.28Å; F140-L206 PolarHBondContact N-O 2.7Å; F140-L206 PolarHBondContact O-N 3.01Å
141Y79.6Confident80.7Confident3 Ų324.1 Ų24.11%0.01214%0.138CC..  trans-120.988.4-175.7168.5-152.9000109.2D143 V146 F148 M167 R168 I169 S170 V205Y141-D143 VanDerWaalsContact CE2-O 3.23Å; Y141-D143 WeakPolarHBondContact CE2-O 3.19Å; Y141-V146 HydrophobicContact CE2-CB 4.34Å; Y141-V146 WeakPolarHBondContact CE2-O 3.39Å; Y141-V146 PolarHBondContact OH-O 2.91Å; Y141-F148 HydrophobicContact CD1-CB 4.04Å; Y141-F148 AromaticContact CD1-CD1 3.93Å; Y141-F148 HydrophobicContact CD1-CD1 3.93Å; Y141-F148 HydrophobicContact CD2-CB 4.25Å; Y141-F148 HydrophobicContact CE1-CB 4.07Å; Y141-F148 HydrophobicContact CE2-CB 4.28Å; Y141-F148 HydrophobicContact CG-CB 4.17Å; Y141-F148 AromaticContact CG-CD1 3.98Å; Y141-F148 HydrophobicContact CG-CD1 3.98Å; Y141-M167 HydrophobicContact CD1-CB 4.3Å; Y141-M167 WeakPolarHBondContact CE1-O 3.3Å; Y141-R168 WeakPolarHBondContact CD1-O 2.99Å; Y141-I169 HydrophobicContact CD1-CG1 4.21Å; Y141-I169 HydrophobicContact CE1-CB 4.45Å; Y141-I169 HydrophobicContact CE1-CG1 3.65Å; Y141-I169 HydrophobicContact CE2-CG1 4.34Å; Y141-I169 WeakPolarHBondContact O-CG2 3.3Å; Y141-S170 PolarHBondContact N-OG 2.89Å; Y141-S170 PolarHBondContact O-N 3.08Å; Y141-V205 HydrophobicContact CD2-CG2 3.81Å; Y141-V205 HydrophobicContact CG-CG2 4.25Å
142P63.5Low81.1Confident38 Ų3821.4 Ų21.425%0.24712%0.121CC..  trans-92.6-6.4-162.634.4-38.1000116.7F140 K203F140-P142 HydrophobicContact CD1-CB 4.27Å; F140-P142 HydrophobicContact CD1-CG 4.19Å; F140-P142 HydrophobicContact CE1-CB 3.64Å; F140-P142 HydrophobicContact CE1-CG 3.88Å; F140-P142 HydrophobicContact CZ-CB 3.81Å; F140-P142 WeakPolarHBondContact O-CD 3.38Å; P142-K203 HydrophobicContact CG-CB 3.7Å
143D64.3Low81.3Confident29 Ų2918.9 Ų18.916%0.15510%0.1CC..  trans-145.4120.1-161-179.5-1000111.1Y141 S145 V146 V202 K203Y141-D143 VanDerWaalsContact CE2-O 3.23Å; Y141-D143 WeakPolarHBondContact CE2-O 3.19Å; D143-S145 PolarHBondContact O-N 3.17Å; D143-S145 WeakPolarHBondContact OD1-CB 3.39Å; D143-S145 PolarHBondContact OD1-N 2.87Å; D143-S145 PolarHBondContact OD1-OG 2.87Å; D143-V146 PolarHBondContact O-N 2.9Å; D143-V146 VanDerWaalsContact O-N 3.16Å; D143-V202 WeakPolarHBondContact OD2-CA 3.48Å; D143-K203 HydrophobicContact CB-CB 4.03Å; D143-K203 PolarHBondContact OD2-N 2.03Å
144N64.6Low80.9Confident46 Ų4620.7 Ų20.725%0.24611%0.109CC..THydrogen-bonded Turntrans-68.3-5.1-178.989.4-4.6000114.1V146 I169 F195 Q695N144-V146 PolarHBondContact O-N 2.9Å; N144-I169 HydrophobicContact CB-CD1 3.64Å; N144-F195 WeakPolarHBondContact O-CE1 3.11Å; N144-F195 WeakPolarHBondContact O-CZ 3.42Å; N144-Q695 PolarHBondContact OD1-NE2 3.14Å
145S64.4Low80Confident21 Ų2124.5 Ų24.515%0.14713%0.128CC..THydrogen-bonded Turntrans-72.41.3169.9-42.40000113.8D143 T194 F195D143-S145 PolarHBondContact O-N 3.17Å; D143-S145 WeakPolarHBondContact OD1-CB 3.39Å; D143-S145 PolarHBondContact OD1-N 2.87Å; D143-S145 PolarHBondContact OD1-OG 2.87Å; S145-T194 CarbonylContact O-C 3.54Å; S145-T194 WeakPolarHBondContact O-CA 3.19Å; S145-F195 VanDerWaalsContact C-CE1 3.48Å; S145-F195 VanDerWaalsContact O-CD1 3.22Å; S145-F195 WeakPolarHBondContact O-CD1 3.36Å; S145-F195 PolarHBondContact O-N 3.05Å
146V74.2Confident78.9Confident1 Ų130.4 Ų30.41%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-125.9111.9174.8-174.70000110.9Y141 D143 N144 F148 T192 T194 V202 V205Y141-V146 HydrophobicContact CE2-CB 4.34Å; Y141-V146 WeakPolarHBondContact CE2-O 3.39Å; Y141-V146 PolarHBondContact OH-O 2.91Å; D143-V146 PolarHBondContact O-N 2.9Å; D143-V146 VanDerWaalsContact O-N 3.16Å; N144-V146 PolarHBondContact O-N 2.9Å; V146-F148 PolarHBondContact O-N 3.21Å; V146-F148 VanDerWaalsContact O-N 3.1Å; V146-T192 HydrophobicContact CG1-CG2 3.85Å; V146-T194 HydrophobicContact CG1-CG2 4.1Å; V146-T194 HydrophobicContact CG2-CG2 3.87Å; V146-V202 HydrophobicContact CG2-CG1 3.33Å; V146-V205 HydrophobicContact CB-CG2 4.46Å; V146-V205 HydrophobicContact CG1-CG2 3.92Å
147Y77.6Confident77.8Confident18 Ų1834.2 Ų34.27%0.07118%0.181CC..EExtended strand (participates in β ladder)trans-69.7108.5168-64.8-70000109.7T192 T193 F195 V665 V682Y147-T192 CarbonylContact O-C 3.52Å; Y147-T192 VanDerWaalsContact O-CA 3.32Å; Y147-T192 WeakPolarHBondContact O-CA 3.08Å; Y147-T193 PolarHBondContact N-O 3.33Å; Y147-T193 PolarHBondContact O-N 3.06Å; Y147-F195 AromaticContact CD2-CD1 3.66Å; Y147-F195 HydrophobicContact CD2-CD1 3.66Å; Y147-F195 AromaticContact CD2-CE1 3.72Å; Y147-F195 HydrophobicContact CD2-CE1 3.72Å; Y147-F195 HydrophobicContact CE1-CE1 4.2Å; Y147-F195 AromaticContact CE2-CD1 3.3Å; Y147-F195 HydrophobicContact CE2-CD1 3.3Å; Y147-F195 AromaticContact CE2-CE1 3.23Å; Y147-F195 HydrophobicContact CE2-CE1 3.23Å; Y147-F195 HydrophobicContact CE2-CG 4.27Å; Y147-F195 HydrophobicContact CE2-CZ 4.16Å; Y147-F195 HydrophobicContact CG-CE1 4.37Å; Y147-F195 AromaticContact CZ-CE1 3.5Å; Y147-V665 HydrophobicContact CD1-CG1 3.92Å; Y147-V665 HydrophobicContact CE1-CG1 3.86Å; Y147-V665 HydrophobicContact CE1-CG2 3.74Å; Y147-V682 HydrophobicContact CE2-CG1 4.35Å; Y147-V682 HydrophobicContact CE2-CG2 4.45Å; Y147-V682 VanDerWaalsContact OH-CG2 3.25Å; Y147-V682 WeakPolarHBondContact OH-CG2 3Å
148F85.1Confident76.6Confident2 Ų239 Ų391%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-108.3121.8176.4-177.3-144.8000111.3W105 Y139 Y141 V146 M167 W190 T192 V205 L207W105-F148 HydrophobicContact CH2-CE2 4.26Å; W105-F148 HydrophobicContact CZ2-CE2 4.44Å; Y139-F148 HydrophobicContact CD2-CD1 4.26Å; Y139-F148 AromaticContact CD2-CE1 3.7Å; Y139-F148 HydrophobicContact CD2-CE1 3.7Å; Y139-F148 HydrophobicContact CE2-CE1 4.28Å; Y139-F148 HydrophobicContact CG-CE1 4.01Å; Y141-F148 HydrophobicContact CD1-CB 4.04Å; Y141-F148 AromaticContact CD1-CD1 3.93Å; Y141-F148 HydrophobicContact CD1-CD1 3.93Å; Y141-F148 HydrophobicContact CD2-CB 4.25Å; Y141-F148 HydrophobicContact CE1-CB 4.07Å; Y141-F148 HydrophobicContact CE2-CB 4.28Å; Y141-F148 HydrophobicContact CG-CB 4.17Å; Y141-F148 AromaticContact CG-CD1 3.98Å; Y141-F148 HydrophobicContact CG-CD1 3.98Å; V146-F148 PolarHBondContact O-N 3.21Å; V146-F148 VanDerWaalsContact O-N 3.1Å; F148-M167 HydrophobicContact CD1-CB 3.45Å; F148-M167 VanDerWaalsContact CD1-CB 3.45Å; F148-M167 HydrophobicContact CD1-CG 3.62Å; F148-M167 HydrophobicContact CE1-CB 3.81Å; F148-M167 HydrophobicContact CE1-CG 3.56Å; F148-M167 HydrophobicContact CG-CB 4.12Å; F148-M167 HydrophobicContact CG-CG 4.14Å; F148-M167 HydrophobicContact CZ-CG 4.05Å; F148-M167 PolarHBondContact O-N 3.38Å; F148-W190 HydrophobicContact CE2-CB 4.22Å; F148-T192 HydrophobicContact CB-CG2 4.36Å; F148-T192 HydrophobicContact CD2-CG2 3.74Å; F148-T192 HydrophobicContact CE2-CG2 4.48Å; F148-T192 HydrophobicContact CG-CG2 4.31Å; F148-V205 HydrophobicContact CB-CG2 4Å; F148-V205 HydrophobicContact CD1-CG1 3.68Å; F148-V205 HydrophobicContact CD1-CG2 4.21Å; F148-V205 HydrophobicContact CD2-CG1 4.19Å; F148-V205 HydrophobicContact CE1-CG1 3.61Å; F148-V205 HydrophobicContact CE2-CG1 4.14Å; F148-V205 HydrophobicContact CG-CG1 4Å; F148-V205 HydrophobicContact CG-CG2 4Å; F148-V205 HydrophobicContact CZ-CG1 3.86Å; F148-L207 HydrophobicContact CZ-CD2 4.29Å
149E84.9Confident75.5Confident12 Ų1238.2 Ų38.26%0.05620%0.204CC..EExtended strand (participates in β ladder)trans-126153.5175.469.1-177.3-9500111.4F151 R165 W166 R191E149-F151 HydrophobicContact CG-CD1 4.42Å; E149-F151 WeakPolarHBondContact OE1-CD1 3.42Å; E149-F151 WeakPolarHBondContact OE1-CE1 3.25Å; E149-R165 VanDerWaalsContact CA-O 3.27Å; E149-R165 WeakPolarHBondContact CA-O 3.49Å; E149-R165 WeakPolarHBondContact CB-O 3.31Å; E149-W166 HydrophobicContact CB-CE3 4.04Å; E149-W166 HydrophobicContact CB-CZ3 4.25Å; E149-R191 HydrophobicContact CG-CB 3.79Å; E149-R191 HydrophobicContact CG-CG 4.47Å; E149-R191 PolarHBondContact N-O 3.42Å; E149-R191 PolarHBondContact O-N 2.79Å; E149-R191 IonicContact OE1-CZ 3.37Å; E149-R191 VanDerWaalsContact OE1-CZ 3.28Å; E149-R191 IonicContact OE1-NE 3.22Å; E149-R191 PolarHBondContact OE1-NE 3.31Å; E149-R191 IonicContact OE1-NH2 2.68Å; E149-R191 PolarHBondContact OE1-NH2 3.37Å; E149-R191 IonicContact OE2-CZ 3.17Å; E149-R191 IonicContact OE2-NE 3.65Å; E149-R191 PolarHBondContact OE2-NE 2.94Å; E149-R191 IonicContact OE2-NH2 2.71Å; E149-R191 PolarHBondContact OE2-NH2 3.47Å
150F88.5Confident74.3Confident3 Ų341.2 Ų41.21%0.01322%0.224CC..EExtended strand (participates in β ladder)trans-131.2136.6170.7170.4-93.6000109.5L135 F137 V152 R165 M167 Y177 I179 L188 Y189 W190L135-F150 HydrophobicContact CD2-CE1 4.04Å; L135-F150 HydrophobicContact CD2-CE2 3.73Å; L135-F150 HydrophobicContact CD2-CZ 3.24Å; F137-F150 HydrophobicContact CE1-CD1 4.34Å; F137-F150 AromaticContact CE1-CD2 3.86Å; F137-F150 HydrophobicContact CE1-CD2 3.86Å; F137-F150 HydrophobicContact CE1-CE1 4.45Å; F137-F150 AromaticContact CE1-CE2 3.96Å; F137-F150 HydrophobicContact CE1-CE2 3.96Å; F137-F150 HydrophobicContact CE1-CG 4.07Å; F137-F150 HydrophobicContact CE1-CZ 4.28Å; F137-F150 HydrophobicContact CZ-CB 4.28Å; F137-F150 HydrophobicContact CZ-CD1 4.43Å; F137-F150 AromaticContact CZ-CD2 3.96Å; F137-F150 HydrophobicContact CZ-CD2 3.96Å; F137-F150 AromaticContact CZ-CG 3.92Å; F137-F150 HydrophobicContact CZ-CG 3.92Å; F150-V152 HydrophobicContact CE1-CG2 3.84Å; F150-V152 HydrophobicContact CZ-CG2 3.64Å; F150-R165 PolarHBondContact N-O 2.9Å; F150-M167 HydrophobicContact CB-CE 3.9Å; F150-M167 HydrophobicContact CB-CG 4.22Å; F150-M167 HydrophobicContact CB-SD 3.9Å; F150-Y177 HydrophobicContact CD1-CD1 4.31Å; F150-Y177 AromaticContact CD1-CE1 3.64Å; F150-Y177 HydrophobicContact CD1-CE1 3.64Å; F150-Y177 AromaticContact CE1-CE1 3.85Å; F150-Y177 HydrophobicContact CE1-CE1 3.85Å; F150-I179 HydrophobicContact CE1-CD1 4.44Å; F150-I179 HydrophobicContact CE1-CG2 4.07Å; F150-L188 HydrophobicContact CE2-CB 4.28Å; F150-L188 HydrophobicContact CZ-CD2 4.49Å; F150-Y189 WeakPolarHBondContact CA-O 3.38Å; F150-Y189 WeakPolarHBondContact CD2-O 3.49Å; F150-W190 AromaticContact CD2-CD1 3.55Å; F150-W190 HydrophobicContact CD2-CD2 4.14Å; F150-W190 AromaticContact CD2-CE2 3.84Å; F150-W190 AromaticContact CD2-CG 3.99Å; F150-W190 HydrophobicContact CD2-CG 3.99Å; F150-W190 AromaticContact CD2-NE1 3.45Å; F150-W190 HydrophobicContact CE2-CD2 4.27Å; F150-W190 AromaticContact CE2-CE2 3.78Å; F150-W190 HydrophobicContact CE2-CZ2 4.04Å; F150-W190 AromaticContact CE2-NE1 3.82Å
151F86.6Confident73Confident22 Ų2246.6 Ų46.610%0.09625%0.254CS..EExtended strand (participates in β ladder)trans-150.8161173.761.7-90.5000112.2E149 Q153 Y189E149-F151 HydrophobicContact CG-CD1 4.42Å; E149-F151 WeakPolarHBondContact OE1-CD1 3.42Å; E149-F151 WeakPolarHBondContact OE1-CE1 3.25Å; F151-Q153 HydrophobicContact CD2-CG 4.06Å; F151-Q153 HydrophobicContact CE2-CG 4.04Å; F151-Y189 AromaticContact CD2-CD2 3.83Å; F151-Y189 HydrophobicContact CD2-CD2 3.83Å; F151-Y189 HydrophobicContact CD2-CG 4.18Å; F151-Y189 HydrophobicContact CE1-CG 4.49Å; F151-Y189 HydrophobicContact CE2-CD1 4.37Å; F151-Y189 AromaticContact CE2-CD2 3.33Å; F151-Y189 HydrophobicContact CE2-CD2 3.33Å; F151-Y189 HydrophobicContact CE2-CE2 4.06Å; F151-Y189 AromaticContact CE2-CG 3.5Å; F151-Y189 HydrophobicContact CE2-CG 3.5Å; F151-Y189 HydrophobicContact CZ-CD1 4.27Å; F151-Y189 HydrophobicContact CZ-CD2 4.02Å; F151-Y189 AromaticContact CZ-CG 3.69Å; F151-Y189 HydrophobicContact CZ-CG 3.69Å; F151-Y189 PolarHBondContact N-O 3.04Å; F151-Y189 VanDerWaalsContact N-O 3.09Å; F151-Y189 PolarHBondContact O-N 2.9Å
152V86.8Confident71.7Confident4 Ų448.7 Ų48.72%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-115.6140.1175.9-177.20000108.8F150 A159 T160 L181 N186 V187 L188F150-V152 HydrophobicContact CE1-CG2 3.84Å; F150-V152 HydrophobicContact CZ-CG2 3.64Å; V152-A159 VanDerWaalsContact O-CA 3.25Å; V152-A159 WeakPolarHBondContact O-CA 3.18Å; V152-T160 PolarHBondContact O-N 3.46Å; V152-L181 HydrophobicContact CG1-CD2 4.04Å; V152-L181 HydrophobicContact CG2-CD2 3.79Å; V152-N186 HydrophobicContact CG1-CB 4.09Å; V152-V187 WeakPolarHBondContact CA-O 3.45Å; V152-L188 HydrophobicContact CG1-CD2 4.18Å; V152-L188 HydrophobicContact CG2-CD2 3.86Å
153Q84.7Confident71.1Confident53 Ų5355.8 Ų55.825%0.24831%0.305CS..EExtended strand (participates in β ladder)trans-116.2143168.1-64.8-175-10.900111F151 Q158 A159 N186 V187 Y189F151-Q153 HydrophobicContact CD2-CG 4.06Å; F151-Q153 HydrophobicContact CE2-CG 4.04Å; Q153-Q158 WeakPolarHBondContact CA-O 3.35Å; Q153-A159 HydrophobicContact CG-CB 4.4Å; Q153-N186 WeakPolarHBondContact O-CA 3.32Å; Q153-V187 PolarHBondContact N-O 3.1Å; Q153-V187 PolarHBondContact O-N 3.14Å; Q153-Y189 HydrophobicContact CB-CE2 4.12Å; Q153-Y189 HydrophobicContact CG-CD2 4.21Å; Q153-Y189 HydrophobicContact CG-CE2 3.89Å
154N77.6Confident70.7Confident42 Ų4256.5 Ų56.523%0.22531%0.312CS..EExtended strand (participates in β ladder)trans-91.2-178.7172.869.86.7000112.4Q156 C157 Q158N154-Q156 PolarHBondContact O-N 3.29Å; N154-Q156 WeakPolarHBondContact OD1-CA 3.48Å; N154-Q156 PolarHBondContact OD1-N 3.35Å; N154-C157 PolarHBondContact O-N 3.49Å; N154-C157 PolarHBondContact OD1-N 2.93Å; N154-Q158 PolarHBondContact N-O 3.42Å; N154-Q158 VanDerWaalsContact N-O 3.08Å; N154-Q158 WeakPolarHBondContact OD1-CB 3.41Å; N154-Q158 PolarHBondContact OD1-N 3.12Å; N154-Q158 PolarHBondContact OD1-O 3.43Å
155D68.8Low71Confident117 Ų11757.6 Ų57.663%0.62631%0.313SS*.THydrogen-bonded Turntrans-57.7-24.2174.364.6-36.8000114.7C157D155-C157 VanDerWaalsContact C-N 3.29Å
156Q67.9Low71.5Confident125 Ų12558.6 Ų58.658%0.58431%0.313SS*.THydrogen-bonded Turntrans-8910.3175-55.6-170.112.300113.3N154 Q158N154-Q156 PolarHBondContact O-N 3.29Å; N154-Q156 WeakPolarHBondContact OD1-CA 3.48Å; N154-Q156 PolarHBondContact OD1-N 3.35Å; Q156-Q158 HydrophobicContact CB-CG 4.17Å; Q156-Q158 PolarHBondContact O-N 2.99Å; Q156-Q158 VanDerWaalsContact O-N 3.12Å
157C67.8Low71.6Confident98 Ų9859 Ų5966%0.66232%0.315SS*.SBendtrans56.220-173-58.90000114N154 D155N154-C157 PolarHBondContact O-N 3.49Å; N154-C157 PolarHBondContact OD1-N 2.93Å; D155-C157 VanDerWaalsContact C-N 3.29Å
158Q65.8Low71.3Confident102 Ų10264.9 Ų64.948%0.47734%0.337SS..PPolyproline II helixtrans-83.8127.9173.8-65.2160.415.900108Q153 N154 Q156Q153-Q158 WeakPolarHBondContact CA-O 3.35Å; N154-Q158 PolarHBondContact N-O 3.42Å; N154-Q158 VanDerWaalsContact N-O 3.08Å; N154-Q158 WeakPolarHBondContact OD1-CB 3.41Å; N154-Q158 PolarHBondContact OD1-N 3.12Å; N154-Q158 PolarHBondContact OD1-O 3.43Å; Q156-Q158 HydrophobicContact CB-CG 4.17Å; Q156-Q158 PolarHBondContact O-N 2.99Å; Q156-Q158 VanDerWaalsContact O-N 3.12Å
159A63.9Low70.4Confident24 Ų2467.4 Ų67.420%0.19835%0.35CS..BIsolated β-bridgetrans-76.8139.117000000109.3V152 Q153 D161V152-A159 VanDerWaalsContact O-CA 3.25Å; V152-A159 WeakPolarHBondContact O-CA 3.18Å; Q153-A159 HydrophobicContact CG-CB 4.4Å; A159-D161 PolarHBondContact O-N 3.02Å
160T62.5Low69.2Low76 Ų7667 Ų6747%0.46635%0.349SS..PPolyproline II helixtrans-63.6119.8174.2-43.90000109.3V152 S162V152-T160 PolarHBondContact O-N 3.46Å; T160-S162 PolarHBondContact O-N 3.03Å; T160-S162 VanDerWaalsContact O-N 3.1Å
161D54.1Low67.5Low143 Ų14371.9 Ų71.977%0.76537%0.372SS*.  trans-76.8101.3179.2-80.6-31.8000110.7A159 R165A159-D161 PolarHBondContact O-N 3.02Å; D161-R165 IonicContact OD1-NH2 3.85Å; D161-R165 PolarHBondContact OD1-NH2 3Å
162S51.7Low65.6Low46 Ų4673.2 Ų73.232%0.32238%0.381SS..  trans-103.7141.1163.956.90000109.7T160 S164T160-S162 PolarHBondContact O-N 3.03Å; T160-S162 VanDerWaalsContact O-N 3.1Å; S162-S164 PolarHBondContact O-N 2.58Å; S162-S164 PolarHBondContact OG-O 3.01Å
163D51Low64.1Low187 Ų18775.3 Ų75.3100%139%0.392SS*.SBendtrans-59.7-19.7-176.4-64.3-57.4000114
164S56.5Low63.4Low45 Ų4574.2 Ų74.232%0.31539%0.386SS..  trans-135.4135.5163.3-177.60000110.5S162 W166S162-S164 PolarHBondContact O-N 2.58Å; S162-S164 PolarHBondContact OG-O 3.01Å; S164-W166 WeakPolarHBondContact OG-CB 3.31Å; S164-W166 PolarHBondContact OG-N 2.97Å; S164-W166 VanDerWaalsContact OG-N 3.1Å; S164-W166 PolarHBondContact OG-O 3.26Å
165R71.3Confident63.3Low68 Ų6873.6 Ų73.626%0.25739%0.385SS..  trans-97.7-6.2166.7-59.3-178.7-173.8-173.51.4111.9E149 F150 D161E149-R165 VanDerWaalsContact CA-O 3.27Å; E149-R165 WeakPolarHBondContact CA-O 3.49Å; E149-R165 WeakPolarHBondContact CB-O 3.31Å; F150-R165 PolarHBondContact N-O 2.9Å; D161-R165 IonicContact OD1-NH2 3.85Å; D161-R165 PolarHBondContact OD1-NH2 3Å
166W73.7Confident64Low42 Ų4273.8 Ų73.816%0.15938%0.382CS..BIsolated β-bridgetrans-81.2137.8-177.3-53.9117.5000111E149 S164 I686 V692E149-W166 HydrophobicContact CB-CE3 4.04Å; E149-W166 HydrophobicContact CB-CZ3 4.25Å; S164-W166 WeakPolarHBondContact OG-CB 3.31Å; S164-W166 PolarHBondContact OG-N 2.97Å; S164-W166 VanDerWaalsContact OG-N 3.1Å; S164-W166 PolarHBondContact OG-O 3.26Å; W166-I686 HydrophobicContact CH2-CD1 3.85Å; W166-I686 HydrophobicContact CZ2-CD1 3.44Å; W166-I686 VanDerWaalsContact CZ2-CD1 3.44Å; W166-V692 HydrophobicContact CZ2-CG2 4.34Å
167M77.3Confident64.9Low9 Ų970.2 Ų70.24%0.04436%0.364CS..PPolyproline II helixtrans-83.9149.8173.7-64.4-68.39500110.8F137 Y139 Y141 F148 F150 Y177F137-M167 HydrophobicContact CZ-SD 4.35Å; Y139-M167 HydrophobicContact CE1-SD 4.42Å; Y139-M167 HydrophobicContact CE2-CB 4.11Å; Y141-M167 HydrophobicContact CD1-CB 4.3Å; Y141-M167 WeakPolarHBondContact CE1-O 3.3Å; F148-M167 HydrophobicContact CD1-CB 3.45Å; F148-M167 VanDerWaalsContact CD1-CB 3.45Å; F148-M167 HydrophobicContact CD1-CG 3.62Å; F148-M167 HydrophobicContact CE1-CB 3.81Å; F148-M167 HydrophobicContact CE1-CG 3.56Å; F148-M167 HydrophobicContact CG-CB 4.12Å; F148-M167 HydrophobicContact CG-CG 4.14Å; F148-M167 HydrophobicContact CZ-CG 4.05Å; F148-M167 PolarHBondContact O-N 3.38Å; F150-M167 HydrophobicContact CB-CE 3.9Å; F150-M167 HydrophobicContact CB-CG 4.22Å; F150-M167 HydrophobicContact CB-SD 3.9Å; M167-Y177 HydrophobicContact CE-CD2 4.08Å; M167-Y177 HydrophobicContact CE-CE2 3.64Å; M167-Y177 HydrophobicContact SD-CD2 3.97Å; M167-Y177 HydrophobicContact SD-CE2 4.16Å; M167-Y177 HydrophobicContact SD-CG 4.3Å
168R70.9Confident65.9Low143 Ų14372.6 Ų72.654%0.5436%0.363SS..PPolyproline II helixtrans-76.3142.5176.5-63.8-177-179.9-172.4-1109.8Y139 Y141 S170 E667Y139-R168 VanDerWaalsContact CE2-O 3.28Å; Y139-R168 WeakPolarHBondContact CE2-O 3.35Å; Y139-R168 PolarHBondContact OH-N 3.14Å; Y139-R168 PolarHBondContact OH-O 2.95Å; Y141-R168 WeakPolarHBondContact CD1-O 2.99Å; R168-S170 PolarHBondContact O-N 2.71Å; R168-E667 HydrophobicContact CG-CB 4.3Å; R168-E667 IonicContact CZ-OE1 2.61Å; R168-E667 IonicContact CZ-OE2 2.87Å; R168-E667 IonicContact NE-OE1 2.81Å; R168-E667 IonicContact NE-OE2 3.49Å; R168-E667 PolarHBondContact NE-OE2 2.96Å; R168-E667 IonicContact NH2-OE1 3.61Å; R168-E667 PolarHBondContact NH2-OE1 2.96Å; R168-E667 IonicContact NH2-OE2 3.57Å; R168-E667 PolarHBondContact NH2-OE2 3.33Å
169I65.5Low66.9Low55 Ų5569.3 Ų69.328%0.28235%0.348SS..PPolyproline II helixtrans-61.6134.4173-63.8177.8000109.4Y141 N144 E171 T666Y141-I169 HydrophobicContact CD1-CG1 4.21Å; Y141-I169 HydrophobicContact CE1-CB 4.45Å; Y141-I169 HydrophobicContact CE1-CG1 3.65Å; Y141-I169 HydrophobicContact CE2-CG1 4.34Å; Y141-I169 WeakPolarHBondContact O-CG2 3.3Å; N144-I169 HydrophobicContact CB-CD1 3.64Å; I169-E171 PolarHBondContact O-N 3.48Å; I169-T666 HydrophobicContact CD1-CG2 3.57Å; I169-T666 HydrophobicContact CG1-CG2 4.01Å
170S59.5Low68Low3 Ų376.2 Ų76.22%0.02138%0.376CS..  trans-81.5106.4175.5-58.70000110Y139 Y141 R168 T172 S175Y139-S170 PolarHBondContact O-OG 3.11Å; Y141-S170 PolarHBondContact N-OG 2.89Å; Y141-S170 PolarHBondContact O-N 3.08Å; R168-S170 PolarHBondContact O-N 2.71Å; S170-T172 PolarHBondContact O-N 3.01Å; S170-S175 PolarHBondContact OG-OG 2.67Å
171E52.8Low69.2Low106 Ų10673 Ų7350%0.49536%0.356SS..SBendtrans-59.5-44.4-172.3-59.6171.4152.100113.4I169 W466 N467I169-E171 PolarHBondContact O-N 3.48Å; E171-W466 WeakPolarHBondContact OE2-CB 3.43Å; E171-N467 VanDerWaalsContact OE1-CA 3.26Å; E171-N467 WeakPolarHBondContact OE1-CA 3.12Å; E171-N467 WeakPolarHBondContact OE1-CB 3.27Å; E171-N467 PolarHBondContact OE2-N 3.12Å
172T46.7Very low70.5Confident49 Ų4969.2 Ų69.230%0.30134%0.341SS..SBendtrans-153.8-16.9-173.9450000115.1S170 L384S170-T172 PolarHBondContact O-N 3.01Å; T172-L384 HydrophobicContact CG2-CD2 3.98Å
173N56.4Low72Confident48 Ų4871 Ų7126%0.25735%0.35SS..SBendtrans-147.7167.1-171.1-168.810000110.2S175N173-S175 PolarHBondContact O-N 2.85Å
174W70.4Confident73.3Confident30 Ų3063.6 Ų63.611%0.11432%0.318CS..PPolyproline II helixtrans-56.6119.7176.8-67.782.6000111.5Y111 E138 Y139 F140 L206 R208 Q386Y111-W174 HydrophobicContact CG-CH2 4.22Å; E138-W174 HydrophobicContact CB-CB 4.43Å; E138-W174 HydrophobicContact CB-CE3 4.01Å; Y139-W174 CarbonylContact O-C 3.47Å; Y139-W174 WeakPolarHBondContact O-CA 3.04Å; F140-W174 HydrophobicContact CB-CD2 3.95Å; F140-W174 HydrophobicContact CB-CE3 3.94Å; F140-W174 HydrophobicContact CB-CG 4.49Å; F140-W174 HydrophobicContact CB-CH2 4.45Å; F140-W174 HydrophobicContact CB-CZ2 4.42Å; F140-W174 HydrophobicContact CB-CZ3 4.19Å; W174-L206 HydrophobicContact CH2-CB 3.38Å; W174-L206 HydrophobicContact CH2-CD1 4.19Å; W174-L206 HydrophobicContact CH2-CG 4.44Å; W174-L206 HydrophobicContact CZ2-CB 4.09Å; W174-L206 HydrophobicContact CZ2-CD1 4.05Å; W174-L206 HydrophobicContact CZ3-CB 3.88Å; W174-R208 HydrophobicContact CD2-CG 4.33Å; W174-R208 HydrophobicContact CE3-CG 3.78Å; W174-R208 HydrophobicContact CH2-CB 4.2Å; W174-R208 HydrophobicContact CH2-CG 3.93Å; W174-R208 HydrophobicContact CZ2-CG 4.49Å; W174-R208 HydrophobicContact CZ3-CB 4.05Å; W174-R208 HydrophobicContact CZ3-CG 3.57Å; W174-Q386 PolarHBondContact NE1-O 3.12Å
175S75.4Confident74.6Confident30 Ų3065.9 Ų65.921%0.2133%0.326CS..EExtended strand (participates in β ladder)trans-84.5134.9175.6-60.80000110E138 Y139 S170 N173E138-S175 CarbonylContact C-O 3.59Å; E138-S175 WeakPolarHBondContact CA-O 3.43Å; Y139-S175 WeakPolarHBondContact CD1-O 3.36Å; Y139-S175 VanDerWaalsContact CZ-CB 3.43Å; Y139-S175 PolarHBondContact N-O 2.93Å; Y139-S175 PolarHBondContact O-N 2.72Å; S170-S175 PolarHBondContact OG-OG 2.67Å; N173-S175 PolarHBondContact O-N 2.85Å
176H83Confident75.3Confident120 Ų12062.7 Ų62.756%0.55632%0.315SS*.EExtended strand (participates in β ladder)trans-100.1116.8179.3179.7-71.2000110.8
177Y86.9Confident76Confident51 Ų5162.5 Ų62.520%0.232%0.318CS..EExtended strand (participates in β ladder)trans-95.2151.7172.8-166.6-106.2000111.5S136 F137 F150 M167 I179S136-Y177 VanDerWaalsContact CA-O 3.25Å; S136-Y177 WeakPolarHBondContact CA-O 3.19Å; F137-Y177 HydrophobicContact CD1-CD1 4.27Å; F137-Y177 AromaticContact CE1-CD1 3.46Å; F137-Y177 HydrophobicContact CE1-CD1 3.46Å; F137-Y177 VanDerWaalsContact CE1-CD1 3.46Å; F137-Y177 HydrophobicContact CE1-CE1 4.31Å; F137-Y177 HydrophobicContact CE1-CG 4.1Å; F137-Y177 HydrophobicContact CE2-CG 4.38Å; F137-Y177 AromaticContact CZ-CD1 3.6Å; F137-Y177 HydrophobicContact CZ-CD1 3.6Å; F137-Y177 HydrophobicContact CZ-CE1 4.47Å; F137-Y177 AromaticContact CZ-CG 3.85Å; F137-Y177 HydrophobicContact CZ-CG 3.85Å; F137-Y177 PolarHBondContact N-O 3.42Å; F137-Y177 VanDerWaalsContact N-O 3.15Å; F137-Y177 PolarHBondContact O-N 2.87Å; F150-Y177 HydrophobicContact CD1-CD1 4.31Å; F150-Y177 AromaticContact CD1-CE1 3.64Å; F150-Y177 HydrophobicContact CD1-CE1 3.64Å; F150-Y177 AromaticContact CE1-CE1 3.85Å; F150-Y177 HydrophobicContact CE1-CE1 3.85Å; M167-Y177 HydrophobicContact CE-CD2 4.08Å; M167-Y177 HydrophobicContact CE-CE2 3.64Å; M167-Y177 HydrophobicContact SD-CD2 3.97Å; M167-Y177 HydrophobicContact SD-CE2 4.16Å; M167-Y177 HydrophobicContact SD-CG 4.3Å; Y177-I179 HydrophobicContact CD1-CG2 4.47Å; Y177-I179 HydrophobicContact CE1-CB 3.79Å; Y177-I179 HydrophobicContact CE1-CG2 3.89Å
178K87.9Confident76.6Confident147 Ų14762.1 Ų62.164%0.63932%0.316SS*.EExtended strand (participates in β ladder)trans-150.7132.9176.8-168.3-179.1-179.5-174.40110.6V134 L135V134-K178 HydrophobicContact CG1-CD 4.18Å; V134-K178 HydrophobicContact CG1-CG 3.65Å; L135-K178 CarbonylContact O-C 3.56Å; L135-K178 VanDerWaalsContact O-CA 3.3Å; L135-K178 WeakPolarHBondContact O-CA 3.38Å
179I87.7Confident77.5Confident34 Ų3457.7 Ų57.717%0.17430%0.3CS..EExtended strand (participates in β ladder)trans-145.9145.9179-169.1170.3000110.9V134 L135 F150 Y177 L181V134-I179 WeakPolarHBondContact CA-O 3.37Å; L135-I179 HydrophobicContact CB-CG2 3.87Å; L135-I179 HydrophobicContact CD2-CG2 3.93Å; L135-I179 HydrophobicContact CG-CG2 4.26Å; L135-I179 PolarHBondContact N-O 2.93Å; L135-I179 PolarHBondContact O-N 2.89Å; F150-I179 HydrophobicContact CE1-CD1 4.44Å; F150-I179 HydrophobicContact CE1-CG2 4.07Å; Y177-I179 HydrophobicContact CD1-CG2 4.47Å; Y177-I179 HydrophobicContact CE1-CB 3.79Å; Y177-I179 HydrophobicContact CE1-CG2 3.89Å; I179-L181 HydrophobicContact CG2-CD2 4.42Å
180E87.4Confident78.8Confident168 Ų16855.1 Ų55.179%0.78529%0.286SS*.EExtended strand (participates in β ladder)trans-82143.2175.1-60.5-174.2171.900110.7
181L86.3Confident80.1Confident8 Ų858.5 Ų58.54%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-122.1135.3-176.9-62.8-178.3000111.2L129 G133 L135 V152 I179 L188 V212L129-L181 HydrophobicContact CD1-CB 3.37Å; L129-L181 HydrophobicContact CD1-CD1 3.81Å; L129-L181 HydrophobicContact CD1-CG 4.26Å; G133-L181 PolarHBondContact N-O 2.89Å; G133-L181 PolarHBondContact O-N 3.44Å; L135-L181 HydrophobicContact CB-CD1 3.91Å; L135-L181 HydrophobicContact CB-CG 4.23Å; V152-L181 HydrophobicContact CG1-CD2 4.04Å; V152-L181 HydrophobicContact CG2-CD2 3.79Å; I179-L181 HydrophobicContact CG2-CD2 4.42Å; L181-L188 HydrophobicContact CD1-CD2 4.13Å; L181-L188 HydrophobicContact CD2-CD2 4.1Å; L181-V212 HydrophobicContact CD1-CG1 4Å
182S83.3Confident81.7Confident65 Ų6553.4 Ų53.446%0.45528%0.275SS..  trans-68148.8176.742.90000112.8N186S182-N186 PolarHBondContact O-ND2 3.22Å; S182-N186 PolarHBondContact O-OD1 3.29Å; S182-N186 PolarHBondContact OG-OD1 2.84Å
183T81.8Confident83.3Confident84 Ų8452 Ų5252%0.51527%0.267SS..SBendtrans-56.6140.2166.545.60000111.2T131 P132T131-T183 VanDerWaalsContact C-CG2 3.46Å; P132-T183 HydrophobicContact CG-CG2 4Å
184G79.4Confident84Confident31 Ų3149.8 Ų49.832%0.3225%0.254SS..EExtended strand (participates in β ladder)trans111.3-159.6-176.600000112.5S128 L129 N186S128-G184 WeakPolarHBondContact CA-O 3.45Å; L129-G184 PolarHBondContact N-O 3.25Å; L129-G184 PolarHBondContact O-N 2.78Å; G184-N186 PolarHBondContact O-ND2 3.08Å; G184-N186 VanDerWaalsContact O-ND2 3.07Å
185N83Confident83.8Confident92 Ų9248.6 Ų48.649%0.49225%0.25SS..EExtended strand (participates in β ladder)trans-86.8123.7-177.5-64.9-14.2000110S128S128-N185 VanDerWaalsContact CB-OD1 3.23Å; S128-N185 WeakPolarHBondContact CB-OD1 3.35Å; S128-N185 PolarHBondContact OG-OD1 3.15Å
186N85.9Confident82.8Confident2 Ų248.1 Ų48.11%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-121.3132.1177.6-60.5-104.6000107.7V127 V152 Q153 S182 G184V127-N186 HydrophobicContact CG1-CB 4.1Å; V127-N186 PolarHBondContact N-O 3.36Å; V127-N186 PolarHBondContact O-N 3.41Å; V152-N186 HydrophobicContact CG1-CB 4.09Å; Q153-N186 WeakPolarHBondContact O-CA 3.32Å; S182-N186 PolarHBondContact O-ND2 3.22Å; S182-N186 PolarHBondContact O-OD1 3.29Å; S182-N186 PolarHBondContact OG-OD1 2.84Å; G184-N186 PolarHBondContact O-ND2 3.08Å; G184-N186 VanDerWaalsContact O-ND2 3.07Å
187V88.1Confident81.2Confident38 Ų3844.2 Ų44.223%0.2323%0.23CC..EExtended strand (participates in β ladder)trans-110.8119.3170.3-168.80000108.4A126 V152 Q153 Y189A126-V187 HydrophobicContact CB-CG2 4.28Å; V152-V187 WeakPolarHBondContact CA-O 3.45Å; Q153-V187 PolarHBondContact N-O 3.1Å; Q153-V187 PolarHBondContact O-N 3.14Å; V187-Y189 HydrophobicContact CB-CD2 4.48Å; V187-Y189 HydrophobicContact CB-CE2 3.76Å; V187-Y189 HydrophobicContact CG1-CD2 4.17Å; V187-Y189 HydrophobicContact CG1-CE1 4.31Å; V187-Y189 HydrophobicContact CG1-CE2 3.46Å; V187-Y189 VanDerWaalsContact CG1-CE2 3.46Å
188L90.4Very high79.1Confident0 Ų050.1 Ų50.10%026%0.264CS..EExtended strand (participates in β ladder)trans-90.5134.1-179.2-48.2-177.6000108.6S124 Y125 L135 F150 V152 L181 W190 V212S124-L188 WeakPolarHBondContact CA-O 3.07Å; S124-L188 WeakPolarHBondContact CB-O 3.34Å; Y125-L188 HydrophobicContact CD1-CD1 4.18Å; Y125-L188 PolarHBondContact N-O 3.42Å; Y125-L188 PolarHBondContact O-N 2.83Å; L135-L188 HydrophobicContact CD1-CD1 3.95Å; L135-L188 HydrophobicContact CD2-CD1 3.97Å; L135-L188 HydrophobicContact CD2-CD2 4.16Å; L135-L188 HydrophobicContact CG-CD1 4.48Å; F150-L188 HydrophobicContact CE2-CB 4.28Å; F150-L188 HydrophobicContact CZ-CD2 4.49Å; V152-L188 HydrophobicContact CG1-CD2 4.18Å; V152-L188 HydrophobicContact CG2-CD2 3.86Å; L181-L188 HydrophobicContact CD1-CD2 4.13Å; L181-L188 HydrophobicContact CD2-CD2 4.1Å; L188-W190 HydrophobicContact CB-CH2 3.72Å; L188-W190 HydrophobicContact CB-CZ2 4.43Å; L188-W190 HydrophobicContact CB-CZ3 3.8Å; L188-W190 HydrophobicContact CD1-CH2 3.79Å; L188-W190 HydrophobicContact CD1-CZ2 4.42Å; L188-W190 HydrophobicContact CG-CH2 4.43Å; L188-V212 HydrophobicContact CD1-CG2 4.06Å
189Y89.4Confident77Confident51 Ų5146.1 Ų46.120%0.226%0.264CS..EExtended strand (participates in β ladder)trans-128.5123.2179.8-69.6-85.1000111.3T122 F150 F151 Q153 V187T122-Y189 HydrophobicContact CG2-CD1 3.76Å; T122-Y189 HydrophobicContact CG2-CE1 4.45Å; F150-Y189 WeakPolarHBondContact CA-O 3.38Å; F150-Y189 WeakPolarHBondContact CD2-O 3.49Å; F151-Y189 AromaticContact CD2-CD2 3.83Å; F151-Y189 HydrophobicContact CD2-CD2 3.83Å; F151-Y189 HydrophobicContact CD2-CG 4.18Å; F151-Y189 HydrophobicContact CE1-CG 4.49Å; F151-Y189 HydrophobicContact CE2-CD1 4.37Å; F151-Y189 AromaticContact CE2-CD2 3.33Å; F151-Y189 HydrophobicContact CE2-CD2 3.33Å; F151-Y189 HydrophobicContact CE2-CE2 4.06Å; F151-Y189 AromaticContact CE2-CG 3.5Å; F151-Y189 HydrophobicContact CE2-CG 3.5Å; F151-Y189 HydrophobicContact CZ-CD1 4.27Å; F151-Y189 HydrophobicContact CZ-CD2 4.02Å; F151-Y189 AromaticContact CZ-CG 3.69Å; F151-Y189 HydrophobicContact CZ-CG 3.69Å; F151-Y189 PolarHBondContact N-O 3.04Å; F151-Y189 VanDerWaalsContact N-O 3.09Å; F151-Y189 PolarHBondContact O-N 2.9Å; Q153-Y189 HydrophobicContact CB-CE2 4.12Å; Q153-Y189 HydrophobicContact CG-CD2 4.21Å; Q153-Y189 HydrophobicContact CG-CE2 3.89Å; V187-Y189 HydrophobicContact CB-CD2 4.48Å; V187-Y189 HydrophobicContact CB-CE2 3.76Å; V187-Y189 HydrophobicContact CG1-CD2 4.17Å; V187-Y189 HydrophobicContact CG1-CE1 4.31Å; V187-Y189 HydrophobicContact CG1-CE2 3.46Å; V187-Y189 VanDerWaalsContact CG1-CE2 3.46Å
190W92.3Very high75.1Confident0 Ų048.3 Ų48.30%028%0.282CS..EExtended strand (participates in β ladder)trans-109.2118.4166.5-60.5-92.4000107.8F84 W105 L123 L135 F137 F148 F150 L188 L207 I210F84-W190 HydrophobicContact CE1-CH2 4.26Å; F84-W190 AromaticContact CE1-CZ3 3.9Å; F84-W190 HydrophobicContact CE1-CZ3 3.9Å; W105-W190 HydrophobicContact CZ2-CB 4.28Å; L123-W190 HydrophobicContact CB-CB 4.39Å; L123-W190 HydrophobicContact CD2-CE3 4.27Å; L123-W190 HydrophobicContact CG-CE3 4.25Å; L123-W190 PolarHBondContact N-O 2.81Å; L123-W190 PolarHBondContact O-N 3.14Å; L135-W190 HydrophobicContact CD1-CZ2 4.37Å; L135-W190 HydrophobicContact CD2-CZ2 4.38Å; F137-W190 HydrophobicContact CD1-CZ2 4.04Å; F137-W190 AromaticContact CD1-NE1 3.59Å; F137-W190 AromaticContact CD2-NE1 3.87Å; F137-W190 HydrophobicContact CE1-CZ2 4.28Å; F137-W190 AromaticContact CE1-NE1 3.26Å; F137-W190 VanDerWaalsContact CE1-NE1 3.26Å; F137-W190 AromaticContact CE2-NE1 3.58Å; F137-W190 AromaticContact CG-NE1 3.88Å; F137-W190 AromaticContact CZ-CD1 3.84Å; F137-W190 AromaticContact CZ-NE1 3.27Å; F137-W190 VanDerWaalsContact CZ-NE1 3.27Å; F148-W190 HydrophobicContact CE2-CB 4.22Å; F150-W190 AromaticContact CD2-CD1 3.55Å; F150-W190 HydrophobicContact CD2-CD2 4.14Å; F150-W190 AromaticContact CD2-CE2 3.84Å; F150-W190 AromaticContact CD2-CG 3.99Å; F150-W190 HydrophobicContact CD2-CG 3.99Å; F150-W190 AromaticContact CD2-NE1 3.45Å; F150-W190 HydrophobicContact CE2-CD2 4.27Å; F150-W190 AromaticContact CE2-CE2 3.78Å; F150-W190 HydrophobicContact CE2-CZ2 4.04Å; F150-W190 AromaticContact CE2-NE1 3.82Å; L188-W190 HydrophobicContact CB-CH2 3.72Å; L188-W190 HydrophobicContact CB-CZ2 4.43Å; L188-W190 HydrophobicContact CB-CZ3 3.8Å; L188-W190 HydrophobicContact CD1-CH2 3.79Å; L188-W190 HydrophobicContact CD1-CZ2 4.42Å; L188-W190 HydrophobicContact CG-CH2 4.43Å; W190-L207 HydrophobicContact CB-CD1 3.82Å; W190-L207 HydrophobicContact CD2-CD1 4.13Å; W190-L207 HydrophobicContact CG-CD1 3.56Å; W190-I210 HydrophobicContact CH2-CD1 4.03Å; W190-I210 HydrophobicContact CH2-CG2 4Å; W190-I210 HydrophobicContact CZ2-CD1 3.92Å; W190-I210 HydrophobicContact CZ2-CG2 3.97Å
191R87.9Confident73.7Confident74 Ų7444.6 Ų44.628%0.27928%0.28SS..EExtended strand (participates in β ladder)trans-128.4128.6-173.4-175.3171.276.7177.1-3.5111.1T120 E149T120-R191 HydrophobicContact CG2-CG 3.5Å; T120-R191 VanDerWaalsContact CG2-CG 3.5Å; E149-R191 HydrophobicContact CG-CB 3.79Å; E149-R191 HydrophobicContact CG-CG 4.47Å; E149-R191 PolarHBondContact N-O 3.42Å; E149-R191 PolarHBondContact O-N 2.79Å; E149-R191 IonicContact OE1-CZ 3.37Å; E149-R191 VanDerWaalsContact OE1-CZ 3.28Å; E149-R191 IonicContact OE1-NE 3.22Å; E149-R191 PolarHBondContact OE1-NE 3.31Å; E149-R191 IonicContact OE1-NH2 2.68Å; E149-R191 PolarHBondContact OE1-NH2 3.37Å; E149-R191 IonicContact OE2-CZ 3.17Å; E149-R191 IonicContact OE2-NE 3.65Å; E149-R191 PolarHBondContact OE2-NE 2.94Å; E149-R191 IonicContact OE2-NH2 2.71Å; E149-R191 PolarHBondContact OE2-NH2 3.47Å
192T86.9Confident72.7Confident0 Ų045 Ų450%028%0.284CS..EExtended strand (participates in β ladder)trans-118.1135.5177.2440000110.8W105 N115 T120 A121 V146 Y147 F148 V205W105-T192 HydrophobicContact CH2-CG2 4.06Å; W105-T192 HydrophobicContact CZ2-CG2 3.63Å; N115-T192 PolarHBondContact OD1-OG1 2.86Å; N115-T192 VanDerWaalsContact OD1-OG1 3.09Å; T120-T192 CarbonylContact C-O 3.54Å; T120-T192 WeakPolarHBondContact CA-O 3.49Å; A121-T192 PolarHBondContact N-O 2.04Å; A121-T192 PolarHBondContact O-N 3.15Å; A121-T192 PolarHBondContact O-OG1 2.82Å; V146-T192 HydrophobicContact CG1-CG2 3.85Å; Y147-T192 CarbonylContact O-C 3.52Å; Y147-T192 VanDerWaalsContact O-CA 3.32Å; Y147-T192 WeakPolarHBondContact O-CA 3.08Å; F148-T192 HydrophobicContact CB-CG2 4.36Å; F148-T192 HydrophobicContact CD2-CG2 3.74Å; F148-T192 HydrophobicContact CE2-CG2 4.48Å; F148-T192 HydrophobicContact CG-CG2 4.31Å; T192-V205 HydrophobicContact CG2-CB 3.93Å; T192-V205 HydrophobicContact CG2-CG2 3.72Å
193T79.8Confident72.1Confident20 Ų2045 Ų4512%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-129113.2169.7-55.90000108.9T120 Y147T120-T193 WeakPolarHBondContact CB-OG1 3.48Å; T120-T193 WeakPolarHBondContact CG2-OG1 3.47Å; T120-T193 WeakPolarHBondContact OG1-CG2 3.32Å; T120-T193 PolarHBondContact OG1-OG1 2.79Å; Y147-T193 PolarHBondContact N-O 3.33Å; Y147-T193 PolarHBondContact O-N 3.06Å
194T71.3Confident72.1Confident0 Ų042.7 Ų42.70%026%0.262CS..EExtended strand (participates in β ladder)trans-91.5157.2-177.491.80000112.5D117 E118 S145 V146 V202D117-T194 WeakPolarHBondContact O-CG2 3.42Å; D117-T194 PolarHBondContact O-OG1 3.19Å; E118-T194 WeakPolarHBondContact CA-O 3.45Å; E118-T194 WeakPolarHBondContact CA-OG1 3.48Å; E118-T194 PolarHBondContact N-OG1 3.22Å; S145-T194 CarbonylContact O-C 3.54Å; S145-T194 WeakPolarHBondContact O-CA 3.19Å; V146-T194 HydrophobicContact CG1-CG2 4.1Å; V146-T194 HydrophobicContact CG2-CG2 3.87Å; T194-V202 HydrophobicContact CG2-CG1 4.44Å
195F65Low72.4Confident6 Ų641.2 Ų41.23%0.02625%0.247CC..  trans-142.7121.1173.161.9-84.2000110.8N144 S145 Y147 L197 L640N144-F195 WeakPolarHBondContact O-CE1 3.11Å; N144-F195 WeakPolarHBondContact O-CZ 3.42Å; S145-F195 VanDerWaalsContact C-CE1 3.48Å; S145-F195 VanDerWaalsContact O-CD1 3.22Å; S145-F195 WeakPolarHBondContact O-CD1 3.36Å; S145-F195 PolarHBondContact O-N 3.05Å; Y147-F195 AromaticContact CD2-CD1 3.66Å; Y147-F195 HydrophobicContact CD2-CD1 3.66Å; Y147-F195 AromaticContact CD2-CE1 3.72Å; Y147-F195 HydrophobicContact CD2-CE1 3.72Å; Y147-F195 HydrophobicContact CE1-CE1 4.2Å; Y147-F195 AromaticContact CE2-CD1 3.3Å; Y147-F195 HydrophobicContact CE2-CD1 3.3Å; Y147-F195 AromaticContact CE2-CE1 3.23Å; Y147-F195 HydrophobicContact CE2-CE1 3.23Å; Y147-F195 HydrophobicContact CE2-CG 4.27Å; Y147-F195 HydrophobicContact CE2-CZ 4.16Å; Y147-F195 HydrophobicContact CG-CE1 4.37Å; Y147-F195 AromaticContact CZ-CE1 3.5Å; F195-L197 HydrophobicContact CD2-CG 4.31Å; F195-L197 HydrophobicContact CE2-CD1 4.48Å; F195-L640 HydrophobicContact CB-CD2 3.6Å
196S55.6Low72.6Confident19 Ų1937.4 Ų37.413%0.13323%0.226CC..  trans-101.7102.8178.6-172.60000110.8E118 S200E118-S196 WeakPolarHBondContact OE1-CA 3.32Å; E118-S196 WeakPolarHBondContact OE1-CB 3.46Å; E118-S196 PolarHBondContact OE1-N 3.38Å; S196-S200 PolarHBondContact OG-O 2.73Å; S196-S200 VanDerWaalsContact OG-O 3.06Å
197L48.5Very low72.8Confident38 Ų3837.3 Ų37.320%0.19923%0.225CC..SBendtrans-80.5130.7165.8-63.4177.3000109.7F195 G199 S200 Y642F195-L197 HydrophobicContact CD2-CG 4.31Å; F195-L197 HydrophobicContact CE2-CD1 4.48Å; L197-G199 PolarHBondContact O-N 3.32Å; L197-S200 PolarHBondContact O-N 2.87Å; L197-Y642 HydrophobicContact CD2-CD1 4.24Å; L197-Y642 HydrophobicContact CD2-CE1 3.68Å; L197-Y642 HydrophobicContact CD2-CE2 4Å
198L42.9Very low72.7Confident176 Ų17636.9 Ų36.992%0.92122%0.22SC*.THydrogen-bonded Turntrans56.520.4172.3-59.7167.5000116
199G43.4Very low72.4Confident62 Ų6239.6 Ų39.664%0.63923%0.234SC*.THydrogen-bonded Turntrans77.220.8173.800000115L197L197-G199 PolarHBondContact O-N 3.32Å
200S49.5Very low72.4Confident80 Ų8037.2 Ų37.256%0.55923%0.225SC*.  trans-66139.6168.5-66.30000110.8S196 L197 V202S196-S200 PolarHBondContact OG-O 2.73Å; S196-S200 VanDerWaalsContact OG-O 3.06Å; L197-S200 PolarHBondContact O-N 2.87Å; S200-V202 PolarHBondContact O-N 2.95Å
201A57.8Low72.2Confident90 Ų9038.7 Ų38.774%0.74423%0.232SC*.  trans-70.3110176.200000110.3
202V64.4Low72.3Confident18 Ų1835.2 Ų35.211%0.10922%0.219CC..PPolyproline II helixtrans-74.3132.4-178.6179.30000110.4D143 V146 T194 S200D143-V202 WeakPolarHBondContact OD2-CA 3.48Å; V146-V202 HydrophobicContact CG2-CG1 3.33Å; T194-V202 HydrophobicContact CG2-CG1 4.44Å; S200-V202 PolarHBondContact O-N 2.95Å
203K71.2Confident72.3Confident63 Ų6336.8 Ų36.827%0.27423%0.23SC..PPolyproline II helixtrans-88.9130.1178.1-62.4-171.1177.1-169.10110.6P142 D143 E503P142-K203 HydrophobicContact CG-CB 3.7Å; D143-K203 HydrophobicContact CB-CB 4.03Å; D143-K203 PolarHBondContact OD2-N 2.03Å; K203-E503 WeakPolarHBondContact CE-OE1 3.34Å; K203-E503 IonicContact NZ-OE1 3.64Å; K203-E503 PolarHBondContact NZ-OE1 2.87Å
204P82Confident72.2Confident37 Ų3735.9 Ų35.924%0.2423%0.225CC..PPolyproline II helixtrans-72.2157.9-177.429-32.5000112.2S114 T116 L206S114-P204 WeakPolarHBondContact OG-CA 3.09Å; S114-P204 WeakPolarHBondContact OG-CB 3.43Å; T116-P204 HydrophobicContact CG2-CB 3.69Å; T116-P204 HydrophobicContact CG2-CG 3.81Å; P204-L206 HydrophobicContact CG-CD2 4.15Å
205V84.7Confident72.6Confident0 Ų036.8 Ų36.80%023%0.23CC..PPolyproline II helixtrans-78.6137.3166.6178.50000109W105 A113 S114 F140 Y141 V146 F148 T192W105-V205 HydrophobicContact CH2-CB 4.12Å; W105-V205 HydrophobicContact CH2-CG1 3.94Å; W105-V205 HydrophobicContact CZ3-CG1 4.49Å; A113-V205 CarbonylContact C-O 3.51Å; S114-V205 WeakPolarHBondContact CB-O 3.42Å; S114-V205 PolarHBondContact N-O 3.13Å; S114-V205 PolarHBondContact OG-N 2.86Å; F140-V205 CarbonylContact O-C 3.47Å; F140-V205 WeakPolarHBondContact O-CA 3.49Å; Y141-V205 HydrophobicContact CD2-CG2 3.81Å; Y141-V205 HydrophobicContact CG-CG2 4.25Å; V146-V205 HydrophobicContact CB-CG2 4.46Å; V146-V205 HydrophobicContact CG1-CG2 3.92Å; F148-V205 HydrophobicContact CB-CG2 4Å; F148-V205 HydrophobicContact CD1-CG1 3.68Å; F148-V205 HydrophobicContact CD1-CG2 4.21Å; F148-V205 HydrophobicContact CD2-CG1 4.19Å; F148-V205 HydrophobicContact CE1-CG1 3.61Å; F148-V205 HydrophobicContact CE2-CG1 4.14Å; F148-V205 HydrophobicContact CG-CG1 4Å; F148-V205 HydrophobicContact CG-CG2 4Å; F148-V205 HydrophobicContact CZ-CG1 3.86Å; T192-V205 HydrophobicContact CG2-CB 3.93Å; T192-V205 HydrophobicContact CG2-CG2 3.72Å
206L88.6Confident72.8Confident11 Ų1137.3 Ų37.36%0.05824%0.236CC..EExtended strand (participates in β ladder)trans-112.2146.3176.5-41.7-179.1000110.2Y111 V112 A113 Y139 F140 W174 P204Y111-L206 HydrophobicContact CD2-CB 4.06Å; Y111-L206 HydrophobicContact CD2-CD1 4.12Å; Y111-L206 HydrophobicContact CD2-CD2 3.95Å; Y111-L206 HydrophobicContact CD2-CG 4.27Å; Y111-L206 HydrophobicContact CE2-CD1 3.92Å; Y111-L206 HydrophobicContact CE2-CD2 3.72Å; Y111-L206 HydrophobicContact CE2-CG 4.29Å; V112-L206 CarbonylContact O-C 3.57Å; V112-L206 WeakPolarHBondContact O-CA 3Å; A113-L206 HydrophobicContact CB-CD2 3.65Å; Y139-L206 CarbonylContact C-O 3.5Å; Y139-L206 VanDerWaalsContact CA-O 3.23Å; Y139-L206 WeakPolarHBondContact CA-O 3.48Å; F140-L206 HydrophobicContact CB-CB 4.18Å; F140-L206 HydrophobicContact CB-CD1 4.47Å; F140-L206 HydrophobicContact CB-CG 4.42Å; F140-L206 HydrophobicContact CD1-CD1 4Å; F140-L206 HydrophobicContact CD1-CG 4.28Å; F140-L206 PolarHBondContact N-O 2.7Å; F140-L206 PolarHBondContact O-N 3.01Å; W174-L206 HydrophobicContact CH2-CB 3.38Å; W174-L206 HydrophobicContact CH2-CD1 4.19Å; W174-L206 HydrophobicContact CH2-CG 4.44Å; W174-L206 HydrophobicContact CZ2-CB 4.09Å; W174-L206 HydrophobicContact CZ2-CD1 4.05Å; W174-L206 HydrophobicContact CZ3-CB 3.88Å; P204-L206 HydrophobicContact CG-CD2 4.15Å
207L88.6Confident73.5Confident0 Ų038.9 Ų38.90%024%0.239CC..EExtended strand (participates in β ladder)trans-130.7140175.5-76.5169000110.8W105 Y111 V112 L123 F137 E138 F148 W190W105-L207 HydrophobicContact CE3-CD1 4.21Å; W105-L207 HydrophobicContact CH2-CD1 3.56Å; W105-L207 HydrophobicContact CH2-CG 4.06Å; W105-L207 HydrophobicContact CZ2-CD1 4.35Å; W105-L207 HydrophobicContact CZ3-CB 4.32Å; W105-L207 HydrophobicContact CZ3-CD1 3.49Å; W105-L207 VanDerWaalsContact CZ3-CD1 3.49Å; W105-L207 HydrophobicContact CZ3-CG 3.83Å; Y111-L207 WeakPolarHBondContact CA-O 3.03Å; Y111-L207 WeakPolarHBondContact CB-O 3.33Å; V112-L207 HydrophobicContact CG1-CB 3.72Å; V112-L207 PolarHBondContact N-O 2.88Å; V112-L207 PolarHBondContact O-N 3Å; L123-L207 HydrophobicContact CD2-CD1 4.15Å; F137-L207 HydrophobicContact CD2-CD2 3.58Å; F137-L207 HydrophobicContact CE2-CD2 3.85Å; F137-L207 HydrophobicContact CG-CD2 4.45Å; E138-L207 WeakPolarHBondContact O-CA 3.42Å; F148-L207 HydrophobicContact CZ-CD2 4.29Å; W190-L207 HydrophobicContact CB-CD1 3.82Å; W190-L207 HydrophobicContact CD2-CD1 4.13Å; W190-L207 HydrophobicContact CG-CD1 3.56Å
208R86.6Confident74.8Confident29 Ų2937.9 Ų37.911%0.10923%0.234CC..EExtended strand (participates in β ladder)trans-152.5175.3172.174.4-175.4-174.1-176.40111.7D110 E138 W174 I210 E387D110-R208 WeakPolarHBondContact O-CB 3.28Å; E138-R208 HydrophobicContact CB-CG 3.79Å; E138-R208 PolarHBondContact N-O 2.74Å; E138-R208 PolarHBondContact O-N 2.97Å; E138-R208 VanDerWaalsContact O-O 3.1Å; E138-R208 IonicContact OE2-CZ 2.8Å; E138-R208 VanDerWaalsContact OE2-CZ 3.23Å; E138-R208 IonicContact OE2-NE 2.68Å; E138-R208 PolarHBondContact OE2-NE 3Å; E138-R208 IonicContact OE2-NH2 2.92Å; E138-R208 PolarHBondContact OE2-NH2 3.45Å; W174-R208 HydrophobicContact CD2-CG 4.33Å; W174-R208 HydrophobicContact CE3-CG 3.78Å; W174-R208 HydrophobicContact CH2-CB 4.2Å; W174-R208 HydrophobicContact CH2-CG 3.93Å; W174-R208 HydrophobicContact CZ2-CG 4.49Å; W174-R208 HydrophobicContact CZ3-CB 4.05Å; W174-R208 HydrophobicContact CZ3-CG 3.57Å; R208-I210 VanDerWaalsContact C-N 3.26Å; R208-I210 PolarHBondContact O-N 3.03Å; R208-I210 VanDerWaalsContact O-N 3.17Å; R208-E387 PolarHBondContact NH1-O 2.81Å
209N84.8Confident76.2Confident58 Ų5832.9 Ų32.931%0.3121%0.214SC..EExtended strand (participates in β ladder)trans50.741.6172.8-61.8-12000113.7F74 E138 Q211F74-N209 PolarHBondContact O-N 3.38Å; E138-N209 HydrophobicContact CB-CB 4.41Å; E138-N209 HydrophobicContact CG-CB 4.42Å; E138-N209 PolarHBondContact OE1-ND2 3.03Å; N209-Q211 PolarHBondContact O-N 3.29Å
210I89.8Confident78Confident0 Ų035.6 Ų35.60%021%0.211CC..EExtended strand (participates in β ladder)trans-73.8114.6179.3-54.9-178.6000108A73 F74 W77 F84 L135 F137 W190 R208A73-I210 CarbonylContact C-O 3.58Å; A73-I210 VanDerWaalsContact CA-O 3.31Å; A73-I210 WeakPolarHBondContact CA-O 3.46Å; F74-I210 HydrophobicContact CB-CB 4.37Å; F74-I210 HydrophobicContact CD2-CB 4.29Å; F74-I210 HydrophobicContact CD2-CG2 4.38Å; F74-I210 WeakPolarHBondContact CD2-O 3.01Å; F74-I210 PolarHBondContact N-O 3.16Å; F74-I210 PolarHBondContact O-N 3.46Å; W77-I210 HydrophobicContact CH2-CD1 3.8Å; W77-I210 HydrophobicContact CZ2-CD1 3.7Å; W77-I210 HydrophobicContact CZ2-CG1 4.04Å; F84-I210 HydrophobicContact CE1-CD1 4Å; F84-I210 HydrophobicContact CZ-CD1 4.05Å; L135-I210 HydrophobicContact CD1-CG2 3.87Å; F137-I210 HydrophobicContact CB-CB 4.31Å; F137-I210 HydrophobicContact CB-CG1 3.89Å; F137-I210 HydrophobicContact CB-CG2 4.45Å; W190-I210 HydrophobicContact CH2-CD1 4.03Å; W190-I210 HydrophobicContact CH2-CG2 4Å; W190-I210 HydrophobicContact CZ2-CD1 3.92Å; W190-I210 HydrophobicContact CZ2-CG2 3.97Å; R208-I210 VanDerWaalsContact C-N 3.26Å; R208-I210 PolarHBondContact O-N 3.03Å; R208-I210 VanDerWaalsContact O-N 3.17Å
211Q87.9Confident79.7Confident31 Ų3132.9 Ų32.915%0.14519%0.191CC..EExtended strand (participates in β ladder)trans-120.6133.2177-174.4-178.1-3.800110.8S71 V72 A73 L135 S136 N209S71-Q211 PolarHBondContact OG-NE2 2.68Å; V72-Q211 CarbonylContact O-C 3.53Å; V72-Q211 VanDerWaalsContact O-CA 3.28Å; V72-Q211 WeakPolarHBondContact O-CA 3.32Å; V72-Q211 WeakPolarHBondContact O-CG 3.47Å; A73-Q211 HydrophobicContact CB-CB 4.23Å; A73-Q211 HydrophobicContact CB-CG 4.19Å; L135-Q211 WeakPolarHBondContact CA-O 3.34Å; S136-Q211 PolarHBondContact N-O 2.86Å; S136-Q211 PolarHBondContact O-N 2.98Å; N209-Q211 PolarHBondContact O-N 3.29Å
212V88.8Confident80.9Confident1 Ų132.8 Ų32.81%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-123.8119.8176.3-171.60000109.7S71 V72 V127 L129 L135 L181 L188S71-V212 CarbonylContact C-O 3.55Å; S71-V212 WeakPolarHBondContact CA-O 3.41Å; S71-V212 WeakPolarHBondContact CB-O 3.03Å; V72-V212 PolarHBondContact N-O 2.92Å; V72-V212 PolarHBondContact O-N 2.93Å; V127-V212 HydrophobicContact CG1-CG1 4.21Å; V127-V212 HydrophobicContact CG2-CG1 4.17Å; L129-V212 HydrophobicContact CD2-CG1 3.95Å; L135-V212 HydrophobicContact CD1-CG2 3.89Å; L181-V212 HydrophobicContact CD1-CG1 4Å; L188-V212 HydrophobicContact CD1-CG2 4.06Å
213S86.6Confident82Confident33 Ų3337.3 Ų37.323%0.23119%0.194CC..EExtended strand (participates in β ladder)trans-98.6162.2170.669.40000112.7T70 S71 L129 G133 V134T70-S213 CarbonylContact O-C 3.6Å; T70-S213 WeakPolarHBondContact O-CA 3.45Å; S71-S213 VanDerWaalsContact CB-CA 3.5Å; L129-S213 WeakPolarHBondContact CD2-O 3.04Å; G133-S213 WeakPolarHBondContact CA-O 3.4Å; V134-S213 PolarHBondContact N-O 2.98Å; V134-S213 PolarHBondContact N-OG 3.28Å; V134-S213 PolarHBondContact O-N 3.17Å; V134-S213 PolarHBondContact O-OG 2.96Å
214G78.5Confident82.7Confident2 Ų234.3 Ų34.32%0.02118%0.181CC..  trans100.23.5-177.300000114.4T70 L129 K130 T131T70-G214 PolarHBondContact O-N 2.59Å; L129-G214 CarbonylContact C-O 3.55Å; L129-G214 WeakPolarHBondContact CA-O 3.28Å; K130-G214 PolarHBondContact N-O 2.94Å; T131-G214 PolarHBondContact N-O 3.2Å
215V79.8Confident82.8Confident18 Ų1835 Ų3511%0.10918%0.18CC..  trans-74.5157.8170.3-59.30000110.6T70 V72 V127 L129T70-V215 VanDerWaalsContact C-CG2 3.46Å; T70-V215 WeakPolarHBondContact CA-O 3.37Å; T70-V215 WeakPolarHBondContact CB-O 3.36Å; T70-V215 WeakPolarHBondContact O-CG2 3.35Å; T70-V215 PolarHBondContact O-N 3.34Å; T70-V215 VanDerWaalsContact O-N 3.11Å; V72-V215 HydrophobicContact CG2-CG1 4.25Å; V72-V215 HydrophobicContact CG2-CG2 3.91Å; V127-V215 HydrophobicContact CG2-CG1 3.85Å; L129-V215 HydrophobicContact CD2-CG1 4.03Å
216A68.1Low82.8Confident17 Ų1737.9 Ų37.914%0.1420%0.199CC..SBendtrans-64.5-51.7-170.500000113.7S44 K130S44-A216 WeakPolarHBondContact CA-O 3.29Å; S44-A216 WeakPolarHBondContact CB-O 3.04Å; K130-A216 HydrophobicContact CG-CB 3.92Å
217Y71.9Confident82.7Confident52 Ų5237.4 Ų37.420%0.20420%0.196CC..  trans-169.1160-177.757.5-85.5000108.8Y8 L51 M53 G69Y8-Y217 AromaticContact CD2-CE1 3.81Å; Y8-Y217 HydrophobicContact CD2-CE1 3.81Å; Y8-Y217 AromaticContact CD2-CZ 3.75Å; Y8-Y217 VanDerWaalsContact CD2-OH 3.31Å; Y8-Y217 WeakPolarHBondContact CD2-OH 3.24Å; Y8-Y217 HydrophobicContact CE2-CE1 4Å; L51-Y217 HydrophobicContact CB-CD2 3.67Å; L51-Y217 HydrophobicContact CB-CE2 4.43Å; L51-Y217 HydrophobicContact CB-CG 4Å; L51-Y217 HydrophobicContact CD2-CD1 3.91Å; L51-Y217 HydrophobicContact CD2-CD2 3.81Å; L51-Y217 HydrophobicContact CD2-CE1 4.25Å; L51-Y217 HydrophobicContact CD2-CE2 4.15Å; L51-Y217 HydrophobicContact CD2-CG 3.73Å; L51-Y217 HydrophobicContact CG-CD2 4.27Å; M53-Y217 HydrophobicContact SD-CE2 4.23Å; G69-Y217 CarbonylContact O-C 3.56Å; G69-Y217 WeakPolarHBondContact O-CA 3.28Å
218T74.6Confident82.6Confident17 Ų1738.3 Ų38.310%0.10420%0.202CC..  trans-89.6138.5156.8-174.10000110.8F50 L51 S67 G69 E220F50-T218 HydrophobicContact CB-CG2 3.95Å; L51-T218 PolarHBondContact N-O 2.94Å; S67-T218 WeakPolarHBondContact OG-CG2 3.36Å; G69-T218 PolarHBondContact O-N 3.44Å; T218-E220 VanDerWaalsContact CG2-O 3.25Å; T218-E220 WeakPolarHBondContact CG2-O 3.22Å; T218-E220 PolarHBondContact OG1-N 3.44Å; T218-E220 PolarHBondContact OG1-O 2.98Å
219S72.7Confident82.8Confident71 Ų7138.8 Ų38.850%0.49721%0.205SC..SBendtrans-80.8-15.517847.70000113.7F50F50-S219 WeakPolarHBondContact CD2-O 3.44Å
220E80.9Confident83.1Confident120 Ų12036.2 Ų36.256%0.56119%0.192SC*.SBendtrans-150.8169.8179.761.1-178.5-171.700111.6T218T218-E220 VanDerWaalsContact CG2-O 3.25Å; T218-E220 WeakPolarHBondContact CG2-O 3.22Å; T218-E220 PolarHBondContact OG1-N 3.44Å; T218-E220 PolarHBondContact OG1-O 2.98Å
221C85.8Confident83Confident22 Ų2240.2 Ų40.215%0.14922%0.22CC..PPolyproline II helixtrans-100.5132.4174.9-61.40000110.6F50 C61 T65 Y66F50-C221 WeakPolarHBondContact CD1-SG 3.38Å; C61-C221 WeakPolarHBondContact CA-SG 3.36Å; C61-C221 HydrophobicContact CB-CB 3.77Å; C61-C221 WeakPolarHBondContact CB-SG 3Å; C61-C221 WeakPolarHBondContact SG-CB 3.41Å; C61-C221 CovalentContact SG-SG 2.03Å; C61-C221 PolarHBondContact SG-SG 3.44Å; T65-C221 HydrophobicContact CG2-CB 4.48Å; T65-C221 WeakPolarHBondContact OG1-CB 3.41Å; Y66-C221 CarbonylContact O-C 3.57Å; Y66-C221 WeakPolarHBondContact O-CA 3.15Å
222F83.4Confident83Confident89 Ų8942.9 Ų42.939%0.3924%0.238SC..EExtended strand (participates in β ladder)trans-78.8137.8179.4-57.1-77.3000110.3T65 Y66T65-F222 CarbonylContact C-O 3.54Å; T65-F222 WeakPolarHBondContact CA-O 3.38Å; T65-F222 VanDerWaalsContact CB-O 3.27Å; T65-F222 WeakPolarHBondContact CB-O 3.35Å; Y66-F222 HydrophobicContact CD1-CB 4.11Å; Y66-F222 VanDerWaalsContact CD1-O 3.29Å; Y66-F222 WeakPolarHBondContact CD1-O 3.45Å; Y66-F222 HydrophobicContact CE1-CB 3.7Å; Y66-F222 PolarHBondContact N-O 3.2Å; Y66-F222 PolarHBondContact O-N 2.98Å
223H86.1Confident83Confident113 Ų11346 Ų4652%0.52326%0.264SS..EExtended strand (participates in β ladder)trans-65.8139.7172.7-72.8-76.2000110.9K225 K249H223-K225 PolarHBondContact O-N 3.01Å; H223-K249 HydrophobicContact CB-CG 3.98Å
224C86.8Confident83Confident0 Ų045.6 Ų45.60%027%0.265CS..PPolyproline II helixtrans-54.7129.6169.2-66.30000110.5G64 T228 S230 C238 K249 G250G64-C224 PolarHBondContact O-N 3.01Å; G64-C224 PolarHBondContact O-SG 3.48Å; C224-T228 WeakPolarHBondContact CB-OG1 3Å; C224-S230 WeakPolarHBondContact SG-CB 3.45Å; C224-C238 WeakPolarHBondContact CA-SG 3.39Å; C224-C238 HydrophobicContact CB-CB 3.72Å; C224-C238 WeakPolarHBondContact CB-SG 3.44Å; C224-C238 WeakPolarHBondContact SG-CB 3.38Å; C224-C238 CovalentContact SG-SG 2.03Å; C224-C238 PolarHBondContact SG-SG 3.4Å; C224-K249 CarbonylContact O-C 3.57Å; C224-K249 WeakPolarHBondContact O-CA 3.11Å; C224-G250 PolarHBondContact O-N 3Å
225K83.8Confident83.4Confident51 Ų5146.1 Ų46.122%0.22227%0.269CS..PPolyproline II helixtrans-67.9153.2177.874.1-173.2-169.7-174.50111.3D75 E76 H223 G227 T228D75-K225 PolarHBondContact O-NZ 2.96Å; D75-K225 WeakPolarHBondContact OD2-CE 3.25Å; D75-K225 IonicContact OD2-NZ 3.71Å; D75-K225 PolarHBondContact OD2-NZ 3.09Å; E76-K225 HydrophobicContact CG-CD 4.13Å; E76-K225 WeakPolarHBondContact OE1-CB 3.39Å; H223-K225 PolarHBondContact O-N 3.01Å; K225-G227 PolarHBondContact O-N 2.82Å; K225-T228 HydrophobicContact CG-CG2 4Å; K225-T228 PolarHBondContact N-OG1 2.94Å; K225-T228 WeakPolarHBondContact O-CB 3.39Å; K225-T228 PolarHBondContact O-N 2.91Å; K225-T228 PolarHBondContact O-OG1 2.66Å
226P85Confident83.5Confident61 Ų6146.6 Ų46.640%0.39628%0.275SS..THydrogen-bonded Turntrans-50140.4178.8-25.934.2000112T228 S247 K249P226-T228 PolarHBondContact O-N 3.31Å; P226-S247 CarbonylContact C-O 3.54Å; P226-S247 WeakPolarHBondContact CA-O 3.03Å; P226-K249 HydrophobicContact CG-CB 4.07Å
227G85.7Confident84.3Confident0 Ų053 Ų530%030%0.295CS..THydrogen-bonded Turntrans76.82-172.300000115.3K225 C241 S247 G266 S267K225-G227 PolarHBondContact O-N 2.82Å; G227-C241 WeakPolarHBondContact O-CB 3.47Å; G227-C241 PolarHBondContact O-N 2.89Å; G227-S247 VanDerWaalsContact C-OG 3.27Å; G227-S247 WeakPolarHBondContact CA-OG 3.33Å; G227-S247 PolarHBondContact N-O 3.42Å; G227-S247 PolarHBondContact N-OG 2.77Å; G227-G266 WeakPolarHBondContact CA-O 3.41Å; G227-G266 WeakPolarHBondContact O-CA 3.2Å; G227-S267 VanDerWaalsContact CA-C 3.48Å; G227-S267 WeakPolarHBondContact CA-O 3.45Å
228T87.1Confident85Confident20 Ų2051.6 Ų51.612%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-119.3160.8167730000111.2C224 K225 P226 C238 A239 S247C224-T228 WeakPolarHBondContact CB-OG1 3Å; K225-T228 HydrophobicContact CG-CG2 4Å; K225-T228 PolarHBondContact N-OG1 2.94Å; K225-T228 WeakPolarHBondContact O-CB 3.39Å; K225-T228 PolarHBondContact O-N 2.91Å; K225-T228 PolarHBondContact O-OG1 2.66Å; P226-T228 PolarHBondContact O-N 3.31Å; T228-C238 WeakPolarHBondContact OG1-CB 3.01Å; T228-A239 CarbonylContact C-O 3.58Å; T228-A239 VanDerWaalsContact CA-O 3.25Å; T228-A239 WeakPolarHBondContact CA-O 3.46Å; T228-S247 PolarHBondContact N-OG 2.83Å; T228-S247 VanDerWaalsContact N-OG 3.1Å; T228-S247 PolarHBondContact O-OG 3.23Å
229H90.4Very high85.6Confident39 Ų3953 Ų5318%0.18131%0.306CS..EExtended strand (participates in β ladder)trans-144.8158.9179.674.1-63000112.7C238 A239 A251 C254H229-C238 CarbonylContact O-C 3.42Å; H229-C238 WeakPolarHBondContact O-CA 3.47Å; H229-C238 WeakPolarHBondContact O-CB 3.35Å; H229-A239 PolarHBondContact N-O 2.85Å; H229-A239 PolarHBondContact ND1-O 3.15Å; H229-A239 PolarHBondContact O-N 2.6Å; H229-A251 VanDerWaalsContact CA-O 3.27Å; H229-A251 WeakPolarHBondContact CA-O 3.35Å; H229-C254 PolarHBondContact ND1-SG 3.14Å; H229-C254 VanDerWaalsContact ND1-SG 3.35Å
230S92Very high86.2Confident3 Ų354.1 Ų54.12%0.02131%0.311CS..  trans-135.999.8175.3168.40000108.7A63 G64 T65 C224 T232 S235 A251 T252A63-S230 CarbonylContact C-O 3.6Å; A63-S230 WeakPolarHBondContact CA-O 3.28Å; A63-S230 WeakPolarHBondContact CB-O 3.38Å; G64-S230 PolarHBondContact N-O 3.44Å; T65-S230 PolarHBondContact O-OG 2.82Å; T65-S230 VanDerWaalsContact O-OG 3.09Å; C224-S230 WeakPolarHBondContact SG-CB 3.45Å; S230-T232 PolarHBondContact OG-O 2.99Å; S230-S235 WeakPolarHBondContact OG-CB 3.06Å; S230-S235 PolarHBondContact OG-OG 3.24Å; S230-A251 PolarHBondContact N-O 2.82Å; S230-A251 VanDerWaalsContact N-O 3.1Å; S230-T252 WeakPolarHBondContact O-CA 3.44Å
231S87.8Confident86.5Confident85 Ų8548.5 Ų48.559%0.59429%0.285SS*.  trans-80.4-21.4-176.255.80000113.6T252S231-T252 VanDerWaalsContact CA-O 3.23Å; S231-T252 WeakPolarHBondContact CA-O 3.34Å; S231-T252 WeakPolarHBondContact CB-O 3.33Å
232T87.9Confident86.5Confident86 Ų8651.1 Ų51.153%0.52830%0.302SS..SBendtrans-104.5147.1-179.943.40000112.4S230 S235S230-T232 PolarHBondContact OG-O 2.99Å; T232-S235 PolarHBondContact O-OG 2.03Å; T232-S235 PolarHBondContact OG1-OG 3.03Å
233A87.6Confident86.4Confident67 Ų6749.5 Ų49.555%0.55431%0.306SS*.THydrogen-bonded Turntrans-75.5139.316400000110.1C61C61-A233 CarbonylContact O-C 3.55Å; C61-A233 WeakPolarHBondContact O-CA 3.46Å; C61-A233 WeakPolarHBondContact O-CB 3.44Å
234G86.8Confident86.3Confident25 Ų2547.2 Ų47.226%0.25830%0.297SS..THydrogen-bonded Turntrans84.326.6-175.300000114.8G48 C61G48-G234 WeakPolarHBondContact CA-O 3.23Å; G48-G234 WeakPolarHBondContact O-CA 3.15Å; C61-G234 PolarHBondContact O-N 3.15Å
235S87Confident86.4Confident13 Ų1347.8 Ų47.89%0.09130%0.3CS..  trans-74.7128.9178.7-59.40000112.4G48 Y66 S67 S230 T232G48-S235 WeakPolarHBondContact CA-O 3.47Å; Y66-S235 VanDerWaalsContact CA-O 3.31Å; Y66-S235 WeakPolarHBondContact CA-O 3.4Å; Y66-S235 WeakPolarHBondContact CB-O 3.04Å; S67-S235 PolarHBondContact N-O 3.39Å; S230-S235 WeakPolarHBondContact OG-CB 3.06Å; S230-S235 PolarHBondContact OG-OG 3.24Å; T232-S235 PolarHBondContact O-OG 2.03Å; T232-S235 PolarHBondContact OG1-OG 3.03Å
236A83.3Confident86.7Confident28 Ų2848.5 Ų48.523%0.23130%0.302CS..SBendtrans-70.7-33.5175.200000113.2E47 Y66 S67 L68E47-A236 HydrophobicContact CB-CB 3.8Å; Y66-A236 WeakPolarHBondContact CD2-O 3.3Å; S67-A236 WeakPolarHBondContact O-CA 3.22Å; L68-A236 VanDerWaalsContact CD2-O 3.32Å; L68-A236 WeakPolarHBondContact CD2-O 3.43Å
237R84.3Confident87.1Confident150 Ų15045.6 Ų45.657%0.56628%0.283SS*.SBendtrans-147.2158.4177.7-63.6-172.6-171.5-131.5-3.8109.9L68L68-R237 HydrophobicContact CD2-CG 3.93Å
238C87.1Confident87.3Confident24 Ų2450.3 Ų50.316%0.16231%0.308CS..PPolyproline II helixtrans-86.7144.3171.9-53.90000111.1Y66 C224 T228 H229Y66-C238 WeakPolarHBondContact CD1-SG 3.4Å; C224-C238 WeakPolarHBondContact CA-SG 3.39Å; C224-C238 HydrophobicContact CB-CB 3.72Å; C224-C238 WeakPolarHBondContact CB-SG 3.44Å; C224-C238 WeakPolarHBondContact SG-CB 3.38Å; C224-C238 CovalentContact SG-SG 2.03Å; C224-C238 PolarHBondContact SG-SG 3.4Å; T228-C238 WeakPolarHBondContact OG1-CB 3.01Å; H229-C238 CarbonylContact O-C 3.42Å; H229-C238 WeakPolarHBondContact O-CA 3.47Å; H229-C238 WeakPolarHBondContact O-CB 3.35Å
239A85.8Confident87.3Confident47 Ų4754.8 Ų54.839%0.38833%0.326SS..EExtended strand (participates in β ladder)trans-90.3136.8177.800000110.9T228 H229T228-A239 CarbonylContact C-O 3.58Å; T228-A239 VanDerWaalsContact CA-O 3.25Å; T228-A239 WeakPolarHBondContact CA-O 3.46Å; H229-A239 PolarHBondContact N-O 2.85Å; H229-A239 PolarHBondContact ND1-O 3.15Å; H229-A239 PolarHBondContact O-N 2.6Å
240P85.2Confident87.2Confident93 Ų9354 Ų5460%0.60433%0.329SS*.EExtended strand (participates in β ladder)trans-67.8146.117729.7-35.2000111.4
241C87.4Confident87.1Confident2 Ų254.5 Ų54.51%0.01433%0.333CS..PPolyproline II helixtrans-73.3140.3175.1-70.40000111.7G227 S247 C254 P265 G266G227-C241 WeakPolarHBondContact O-CB 3.47Å; G227-C241 PolarHBondContact O-N 2.89Å; C241-S247 VanDerWaalsContact SG-CB 3.59Å; C241-S247 PolarHBondContact SG-OG 2.96Å; C241-C254 WeakPolarHBondContact CA-SG 3.37Å; C241-C254 HydrophobicContact CB-CB 3.8Å; C241-C254 WeakPolarHBondContact CB-SG 3.38Å; C241-C254 WeakPolarHBondContact SG-CB 3.37Å; C241-C254 CovalentContact SG-SG 2.04Å; C241-C254 PolarHBondContact SG-SG 2.84Å; C241-P265 CarbonylContact O-C 3.48Å; C241-P265 WeakPolarHBondContact O-CA 3.26Å; C241-G266 PolarHBondContact O-N 3.37Å
242P86Confident87.3Confident78 Ų7853.8 Ų53.851%0.50633%0.325SS..PPolyproline II helixtrans-66.8168.2175.727.6-34000112.5T245P242-T245 WeakPolarHBondContact CD-OG1 3.06Å; P242-T245 HydrophobicContact CG-CG2 3.96Å; P242-T245 WeakPolarHBondContact CG-OG1 3.41Å; P242-T245 PolarHBondContact O-N 3.04Å; P242-T245 PolarHBondContact O-OG1 2.91Å
243A80.6Confident87.5Confident55 Ų5553.1 Ų53.146%0.45532%0.321SS..THydrogen-bonded Turntrans-55.9149.5174.300000111.9T245 P265A243-T245 PolarHBondContact O-N 2.75Å; A243-P265 HydrophobicContact CB-CG 4.02Å
244D84.3Confident87.8Confident65 Ų6551 Ų5135%0.34830%0.302SS..THydrogen-bonded Turntrans57.520.8-174.9-64-46.3000114.8C257 Y262 A263 R273D244-C257 WeakPolarHBondContact O-CB 3.32Å; D244-C257 PolarHBondContact O-N 3.41Å; D244-Y262 VanDerWaalsContact OD1-CA 3.31Å; D244-Y262 WeakPolarHBondContact OD1-CA 3.48Å; D244-Y262 WeakPolarHBondContact OD1-CB 3.42Å; D244-A263 PolarHBondContact N-O 2.81Å; D244-A263 PolarHBondContact OD1-N 2.61Å; D244-R273 VanDerWaalsContact CG-NH2 3.3Å; D244-R273 IonicContact OD1-CZ 2.72Å; D244-R273 IonicContact OD1-NH2 2.73Å; D244-R273 PolarHBondContact OD1-NH2 2.04Å; D244-R273 IonicContact OD2-NH2 3.35Å; D244-R273 PolarHBondContact OD2-NH2 3.48Å
245T89.4Confident88Confident11 Ų1154 Ų547%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-131.5156.6168.7750000111.5P242 A243 H255 D256 A263P242-T245 WeakPolarHBondContact CD-OG1 3.06Å; P242-T245 HydrophobicContact CG-CG2 3.96Å; P242-T245 WeakPolarHBondContact CG-OG1 3.41Å; P242-T245 PolarHBondContact O-N 3.04Å; P242-T245 PolarHBondContact O-OG1 2.91Å; A243-T245 PolarHBondContact O-N 2.75Å; T245-H255 CarbonylContact C-O 3.59Å; T245-H255 WeakPolarHBondContact CA-O 3.45Å; T245-H255 VanDerWaalsContact CB-O 3.31Å; T245-H255 WeakPolarHBondContact CB-O 3.42Å; T245-D256 WeakPolarHBondContact CG2-OD1 3.43Å; T245-A263 VanDerWaalsContact O-CB 3.26Å; T245-A263 WeakPolarHBondContact O-CB 3.39Å
246Y90.1Very high88.2Confident67 Ų6759.8 Ų59.826%0.26334%0.339SS..EExtended strand (participates in β ladder)trans-136.5165-179.177.5-74.9000112.8C254 H255 S267 C270Y246-C254 CarbonylContact O-C 3.53Å; Y246-C254 WeakPolarHBondContact O-CA 3.48Å; Y246-H255 HydrophobicContact CD1-CB 3.99Å; Y246-H255 VanDerWaalsContact CD1-O 3.25Å; Y246-H255 WeakPolarHBondContact CD1-O 3.21Å; Y246-H255 HydrophobicContact CE1-CB 3.55Å; Y246-H255 PolarHBondContact N-O 3.22Å; Y246-H255 PolarHBondContact O-N 2.84Å; Y246-S267 WeakPolarHBondContact CA-O 3.49Å; Y246-C270 WeakPolarHBondContact CD1-SG 3.48Å
247S92.9Very high88.5Confident0 Ų059.6 Ų59.60%034%0.335CS..  trans-149.6147.5169.673.50000113.9P226 G227 T228 C241 S267 G268P226-S247 CarbonylContact C-O 3.54Å; P226-S247 WeakPolarHBondContact CA-O 3.03Å; G227-S247 VanDerWaalsContact C-OG 3.27Å; G227-S247 WeakPolarHBondContact CA-OG 3.33Å; G227-S247 PolarHBondContact N-O 3.42Å; G227-S247 PolarHBondContact N-OG 2.77Å; T228-S247 PolarHBondContact N-OG 2.83Å; T228-S247 VanDerWaalsContact N-OG 3.1Å; T228-S247 PolarHBondContact O-OG 3.23Å; C241-S247 VanDerWaalsContact SG-CB 3.59Å; C241-S247 PolarHBondContact SG-OG 2.96Å; S247-S267 PolarHBondContact N-O 2.57Å; S247-G268 WeakPolarHBondContact O-CA 3.48Å
248N89.9Confident88.6Confident98 Ų9859.5 Ų59.552%0.52434%0.342SS..  trans-83165.4174.9-65.6-50.2000111.8G250 A251N248-G250 PolarHBondContact O-N 3.13Å; N248-A251 VanDerWaalsContact O-CB 3.24Å; N248-A251 WeakPolarHBondContact O-CB 3.35Å; N248-A251 PolarHBondContact O-N 3Å; N248-A251 VanDerWaalsContact O-N 3.15Å
249K87.3Confident88.3Confident115 Ų11564.1 Ų64.150%0.537%0.374SS..THydrogen-bonded Turntrans-57.7127.7174.1-167.5154.5-171.6142.30109.8E76 H223 C224 P226E76-K249 IonicContact OE1-NZ 3.36Å; E76-K249 PolarHBondContact OE1-NZ 3.18Å; E76-K249 IonicContact OE2-NZ 2.65Å; E76-K249 PolarHBondContact OE2-NZ 3.36Å; H223-K249 HydrophobicContact CB-CG 3.98Å; C224-K249 CarbonylContact O-C 3.57Å; C224-K249 WeakPolarHBondContact O-CA 3.11Å; P226-K249 HydrophobicContact CG-CB 4.07Å
250G87.4Confident88.1Confident22 Ų2266.6 Ų66.623%0.22738%0.381CS..THydrogen-bonded Turntrans84.113.4-177.800000116.1G64 C224 N248G64-G250 VanDerWaalsContact CA-O 3.28Å; G64-G250 WeakPolarHBondContact CA-O 3.32Å; G64-G250 WeakPolarHBondContact O-CA 3.33Å; C224-G250 PolarHBondContact O-N 3Å; N248-G250 PolarHBondContact O-N 3.13Å
251A90.2Very high88.2Confident14 Ų1462.9 Ų62.912%0.11636%0.357CS..  trans-70.7144.6-175.200000115G64 H229 S230 N248G64-A251 WeakPolarHBondContact CA-O 3.33Å; H229-A251 VanDerWaalsContact CA-O 3.27Å; H229-A251 WeakPolarHBondContact CA-O 3.35Å; S230-A251 PolarHBondContact N-O 2.82Å; S230-A251 VanDerWaalsContact N-O 3.1Å; N248-A251 VanDerWaalsContact O-CB 3.24Å; N248-A251 WeakPolarHBondContact O-CB 3.35Å; N248-A251 PolarHBondContact O-N 3Å; N248-A251 VanDerWaalsContact O-N 3.15Å
252T92.1Very high88Confident69 Ų6965 Ų6542%0.42337%0.365SS..SBendtrans-92.7-16.117557.10000113.7A63 S230 S231A63-T252 HydrophobicContact CB-CG2 3.65Å; S230-T252 WeakPolarHBondContact O-CA 3.44Å; S231-T252 VanDerWaalsContact CA-O 3.23Å; S231-T252 WeakPolarHBondContact CA-O 3.34Å; S231-T252 WeakPolarHBondContact CB-O 3.33Å
253V92.8Very high87.9Confident73 Ų7361.5 Ų61.544%0.44234%0.343SS..SBendtrans-150.3157.1-176.4730000109.4
254C93.3Very high87.6Confident23 Ų2362.5 Ų62.516%0.15534%0.343CS..  trans-88146168-52.70000109.8H229 C241 Y246H229-C254 PolarHBondContact ND1-SG 3.14Å; H229-C254 VanDerWaalsContact ND1-SG 3.35Å; C241-C254 WeakPolarHBondContact CA-SG 3.37Å; C241-C254 HydrophobicContact CB-CB 3.8Å; C241-C254 WeakPolarHBondContact CB-SG 3.38Å; C241-C254 WeakPolarHBondContact SG-CB 3.37Å; C241-C254 CovalentContact SG-SG 2.04Å; C241-C254 PolarHBondContact SG-SG 2.84Å; Y246-C254 CarbonylContact O-C 3.53Å; Y246-C254 WeakPolarHBondContact O-CA 3.48Å
255H91.8Very high87.4Confident86 Ų8662.8 Ų62.840%0.39835%0.349SS..EExtended strand (participates in β ladder)trans-107137.7176.7-62.3-69.8000110T245 Y246T245-H255 CarbonylContact C-O 3.59Å; T245-H255 WeakPolarHBondContact CA-O 3.45Å; T245-H255 VanDerWaalsContact CB-O 3.31Å; T245-H255 WeakPolarHBondContact CB-O 3.42Å; Y246-H255 HydrophobicContact CD1-CB 3.99Å; Y246-H255 VanDerWaalsContact CD1-O 3.25Å; Y246-H255 WeakPolarHBondContact CD1-O 3.21Å; Y246-H255 HydrophobicContact CE1-CB 3.55Å; Y246-H255 PolarHBondContact N-O 3.22Å; Y246-H255 PolarHBondContact O-N 2.84Å
256D91.4Very high87Confident136 Ų13663.8 Ų63.873%0.72736%0.361SS*.EExtended strand (participates in β ladder)trans-67145.7176.5-57.3-49.6000111.4T245T245-D256 WeakPolarHBondContact CG2-OD1 3.43Å
257C88.8Confident86.6Confident23 Ų2361.6 Ų61.616%0.15536%0.355CS..PPolyproline II helixtrans-78.4146.9171.4-70.30000112D244 S261 A263 C270D244-C257 WeakPolarHBondContact O-CB 3.32Å; D244-C257 PolarHBondContact O-N 3.41Å; C257-S261 WeakPolarHBondContact CB-OG 3.48Å; C257-A263 WeakPolarHBondContact SG-CB 3.34Å; C257-C270 WeakPolarHBondContact CA-SG 3.49Å; C257-C270 HydrophobicContact CB-CB 3.93Å; C257-C270 WeakPolarHBondContact CB-SG 3.28Å; C257-C270 WeakPolarHBondContact SG-CB 3.23Å; C257-C270 CovalentContact SG-SG 2.04Å; C257-C270 PolarHBondContact SG-SG 2.85Å
258E87.7Confident86.2Confident149 Ų14962.7 Ų62.770%0.69637%0.366SS*.PPolyproline II helixtrans-63.6152.6171.4-62-171.1174.700110.5D260 S261E258-D260 VanDerWaalsContact C-N 3.25Å; E258-D260 PolarHBondContact O-N 3.46Å; E258-D260 VanDerWaalsContact O-N 3.15Å; E258-S261 PolarHBondContact N-OG 3.45Å; E258-S261 VanDerWaalsContact N-OG 3.09Å; E258-S261 CarbonylContact O-C 3.57Å; E258-S261 WeakPolarHBondContact O-CA 3.32Å; E258-S261 WeakPolarHBondContact O-CB 3.38Å; E258-S261 PolarHBondContact O-N 2.03Å; E258-S261 VanDerWaalsContact O-O 3.05Å; E258-S261 PolarHBondContact O-OG 3.47Å
259S79.9Confident86Confident121 Ų12161.1 Ų61.185%0.84636%0.363SS*.THydrogen-bonded Turntrans-69-17.3-164.257.40000115.5
260D82.3Confident86.1Confident99 Ų9957.5 Ų57.553%0.52935%0.352SS..THydrogen-bonded Turntrans-92.34.3170.167.4-26.9000113.1E258 R273E258-D260 VanDerWaalsContact C-N 3.25Å; E258-D260 PolarHBondContact O-N 3.46Å; E258-D260 VanDerWaalsContact O-N 3.15Å; D260-R273 VanDerWaalsContact O-CB 3.32Å; D260-R273 WeakPolarHBondContact O-CB 3.32Å; D260-R273 WeakPolarHBondContact O-CG 3.45Å; D260-R273 PolarHBondContact O-N 2.84Å
261S85.6Confident85.9Confident15 Ų1561.3 Ų61.311%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-124.5165.1178.176.90000112C257 E258 K271 R273C257-S261 WeakPolarHBondContact CB-OG 3.48Å; E258-S261 PolarHBondContact N-OG 3.45Å; E258-S261 VanDerWaalsContact N-OG 3.09Å; E258-S261 CarbonylContact O-C 3.57Å; E258-S261 WeakPolarHBondContact O-CA 3.32Å; E258-S261 WeakPolarHBondContact O-CB 3.38Å; E258-S261 PolarHBondContact O-N 2.03Å; E258-S261 VanDerWaalsContact O-O 3.05Å; E258-S261 PolarHBondContact O-OG 3.47Å; S261-K271 CarbonylContact C-O 3.2Å; S261-K271 VanDerWaalsContact CA-O 3.23Å; S261-K271 WeakPolarHBondContact CA-O 3.47Å; S261-K271 WeakPolarHBondContact CB-O 3.33Å; S261-R273 VanDerWaalsContact O-CZ 3.23Å; S261-R273 PolarHBondContact O-NE 3.32Å; S261-R273 PolarHBondContact O-NH2 2.92Å
262Y84.2Confident85.7Confident46 Ų4665.7 Ų65.718%0.1839%0.389CS..EExtended strand (participates in β ladder)trans-145.4157.2-177.879.8-78.3000111.7D244 C270 K271 P272 R273 I305D244-Y262 VanDerWaalsContact OD1-CA 3.31Å; D244-Y262 WeakPolarHBondContact OD1-CA 3.48Å; D244-Y262 WeakPolarHBondContact OD1-CB 3.42Å; Y262-C270 CarbonylContact O-C 3.48Å; Y262-C270 WeakPolarHBondContact O-CA 3.3Å; Y262-K271 HydrophobicContact CD1-CB 4.22Å; Y262-K271 VanDerWaalsContact CD1-O 3.23Å; Y262-K271 WeakPolarHBondContact CD1-O 2.99Å; Y262-K271 HydrophobicContact CE1-CB 3.76Å; Y262-K271 PolarHBondContact N-O 2.93Å; Y262-K271 PolarHBondContact O-N 2.83Å; Y262-P272 WeakPolarHBondContact CE1-O 3.48Å; Y262-R273 VanDerWaalsContact CB-CZ 3.49Å; Y262-R273 HydrophobicContact CD1-CG 3.97Å; Y262-R273 HydrophobicContact CG-CG 4.43Å; Y262-I305 HydrophobicContact CD1-CG2 3.95Å; Y262-I305 HydrophobicContact CD2-CG1 4.15Å; Y262-I305 HydrophobicContact CD2-CG2 3.97Å; Y262-I305 HydrophobicContact CE1-CG2 3.7Å; Y262-I305 HydrophobicContact CE2-CD1 4.24Å; Y262-I305 HydrophobicContact CE2-CG1 4.1Å; Y262-I305 HydrophobicContact CE2-CG2 3.71Å; Y262-I305 HydrophobicContact CG-CG2 4.08Å
263A82.8Confident85.4Confident5 Ų564.7 Ų64.74%0.04138%0.378CS..  trans-136.2142170.800000110.7D244 T245 C257D244-A263 PolarHBondContact N-O 2.81Å; D244-A263 PolarHBondContact OD1-N 2.61Å; T245-A263 VanDerWaalsContact O-CB 3.26Å; T245-A263 WeakPolarHBondContact O-CB 3.39Å; C257-A263 WeakPolarHBondContact SG-CB 3.34Å
264V76.3Confident85Confident76 Ų7664.3 Ų64.346%0.46138%0.377SS..  trans-76.6154.1167.2-64.50000109.7G266 S267V264-G266 PolarHBondContact O-N 3.35Å; V264-S267 VanDerWaalsContact O-CB 3.25Å; V264-S267 WeakPolarHBondContact O-CB 3.4Å; V264-S267 PolarHBondContact O-N 2.74Å; V264-S267 VanDerWaalsContact O-N 3.07Å
265P78.7Confident84.7Confident71 Ų7164.6 Ų64.646%0.46138%0.381SS..THydrogen-bonded Turntrans-52132.7172.3-2533.6000111.1C241 A243C241-P265 CarbonylContact O-C 3.48Å; C241-P265 WeakPolarHBondContact O-CA 3.26Å; A243-P265 HydrophobicContact CB-CG 4.02Å
266G81.1Confident84.5Confident31 Ų3160.6 Ų60.632%0.3236%0.363SS..THydrogen-bonded Turntrans76.617.8-176.800000115.7G227 C241 V264G227-G266 WeakPolarHBondContact CA-O 3.41Å; G227-G266 WeakPolarHBondContact O-CA 3.2Å; C241-G266 PolarHBondContact O-N 3.37Å; V264-G266 PolarHBondContact O-N 3.35Å
267S81.6Confident84.3Confident22 Ų2256.9 Ų56.915%0.15435%0.345CS..  trans-85.7139.8-179.4-151.90000114.3G227 Y246 S247 V264 S269G227-S267 VanDerWaalsContact CA-C 3.48Å; G227-S267 WeakPolarHBondContact CA-O 3.45Å; Y246-S267 WeakPolarHBondContact CA-O 3.49Å; S247-S267 PolarHBondContact N-O 2.57Å; V264-S267 VanDerWaalsContact O-CB 3.25Å; V264-S267 WeakPolarHBondContact O-CB 3.4Å; V264-S267 PolarHBondContact O-N 2.74Å; V264-S267 VanDerWaalsContact O-N 3.07Å; S267-S269 VanDerWaalsContact C-N 3.33Å; S267-S269 PolarHBondContact O-N 3.41Å; S267-S269 PolarHBondContact OG-O 3.38Å
268G84.2Confident83.9Confident22 Ų2262.2 Ų62.223%0.22737%0.367CS..SBendtrans-76-12.817600000115.5S247S247-G268 WeakPolarHBondContact O-CA 3.48Å
269S86.4Confident83.5Confident66 Ų6657.5 Ų57.546%0.46235%0.347SS..SBendtrans-159.7153.1179.651.90000112.3S267S267-S269 VanDerWaalsContact C-N 3.33Å; S267-S269 PolarHBondContact O-N 3.41Å; S267-S269 PolarHBondContact OG-O 3.38Å
270C88.9Confident83.5Confident38 Ų3852.6 Ų52.626%0.25731%0.311SS..  trans-74.3144.3171-520000111.1Y246 C257 Y262Y246-C270 WeakPolarHBondContact CD1-SG 3.48Å; C257-C270 WeakPolarHBondContact CA-SG 3.49Å; C257-C270 HydrophobicContact CB-CB 3.93Å; C257-C270 WeakPolarHBondContact CB-SG 3.28Å; C257-C270 WeakPolarHBondContact SG-CB 3.23Å; C257-C270 CovalentContact SG-SG 2.04Å; C257-C270 PolarHBondContact SG-SG 2.85Å; Y262-C270 CarbonylContact O-C 3.48Å; Y262-C270 WeakPolarHBondContact O-CA 3.3Å
271K84.5Confident83.7Confident103 Ų10349.3 Ų49.345%0.44829%0.292SS..EExtended strand (participates in β ladder)trans-109.3146.4170.6-64.6-176.9-180-176.90109.5S261 Y262S261-K271 CarbonylContact C-O 3.2Å; S261-K271 VanDerWaalsContact CA-O 3.23Å; S261-K271 WeakPolarHBondContact CA-O 3.47Å; S261-K271 WeakPolarHBondContact CB-O 3.33Å; Y262-K271 HydrophobicContact CD1-CB 4.22Å; Y262-K271 VanDerWaalsContact CD1-O 3.23Å; Y262-K271 WeakPolarHBondContact CD1-O 2.99Å; Y262-K271 HydrophobicContact CE1-CB 3.76Å; Y262-K271 PolarHBondContact N-O 2.93Å; Y262-K271 PolarHBondContact O-N 2.83Å
272P85.7Confident83.7Confident106 Ų10649.2 Ų49.269%0.68829%0.289SS*.EExtended strand (participates in β ladder)trans-64.2143.6175.627.7-34.8000111.1Y262Y262-P272 WeakPolarHBondContact CE1-O 3.48Å
273R85.1Confident83.8Confident48 Ų4850 Ų5018%0.18129%0.293CS..PPolyproline II helixtrans-75.2125178-68.4-178.5-174.6-88.8-7.5110.1D244 D260 S261 Y262 K304 I305D244-R273 VanDerWaalsContact CG-NH2 3.3Å; D244-R273 IonicContact OD1-CZ 2.72Å; D244-R273 IonicContact OD1-NH2 2.73Å; D244-R273 PolarHBondContact OD1-NH2 2.04Å; D244-R273 IonicContact OD2-NH2 3.35Å; D244-R273 PolarHBondContact OD2-NH2 3.48Å; D260-R273 VanDerWaalsContact O-CB 3.32Å; D260-R273 WeakPolarHBondContact O-CB 3.32Å; D260-R273 WeakPolarHBondContact O-CG 3.45Å; D260-R273 PolarHBondContact O-N 2.84Å; S261-R273 VanDerWaalsContact O-CZ 3.23Å; S261-R273 PolarHBondContact O-NE 3.32Å; S261-R273 PolarHBondContact O-NH2 2.92Å; Y262-R273 VanDerWaalsContact CB-CZ 3.49Å; Y262-R273 HydrophobicContact CD1-CG 3.97Å; Y262-R273 HydrophobicContact CG-CG 4.43Å; R273-K304 PolarHBondContact NH1-O 2.88Å; R273-I305 WeakPolarHBondContact CD-O 3.32Å; R273-I305 VanDerWaalsContact CG-O 3.23Å; R273-I305 WeakPolarHBondContact CG-O 3.26Å; R273-I305 PolarHBondContact NH1-O 2.84Å; R273-I305 VanDerWaalsContact NH1-O 3.12Å
274P85.6Confident84Confident65 Ų6550 Ų5042%0.42229%0.292SS..PPolyproline II helixtrans-67.6159174.129.4-34.8000111.4I305 C306 S307P274-I305 HydrophobicContact CG-CG2 4.36Å; P274-C306 HydrophobicContact CG-CB 4.49Å; P274-C306 CarbonylContact O-C 3.47Å; P274-C306 VanDerWaalsContact O-CA 3.29Å; P274-C306 WeakPolarHBondContact O-CA 3.3Å; P274-C306 WeakPolarHBondContact O-CB 3.24Å; P274-S307 PolarHBondContact O-N 3.21Å
275A87Confident84.4Confident29 Ų2947.8 Ų47.824%0.2428%0.277CS..BIsolated β-bridgetrans-61.8137167.700000110.2T277 V310 A313A275-T277 PolarHBondContact O-N 2.82Å; A275-V310 HydrophobicContact CB-CB 3.99Å; A275-V310 HydrophobicContact CB-CG1 3.86Å; A275-A313 HydrophobicContact CB-CB 3.96Å
276C87.6Confident84.7Confident2 Ų245.7 Ų45.71%0.01426%0.262CS..PPolyproline II helixtrans-63.2136.1176.9-68.60000112.1W300 C306 S307 E308 A313 V314C276-W300 HydrophobicContact CB-CH2 3.63Å; C276-W300 HydrophobicContact CB-CZ3 3.76Å; C276-C306 WeakPolarHBondContact CA-SG 3.5Å; C276-C306 HydrophobicContact CB-CB 3.83Å; C276-C306 WeakPolarHBondContact CB-SG 3.41Å; C276-C306 WeakPolarHBondContact SG-CB 3.34Å; C276-C306 CovalentContact SG-SG 2.04Å; C276-C306 PolarHBondContact SG-SG 2.88Å; C276-S307 PolarHBondContact N-O 2.96Å; C276-E308 HydrophobicContact CB-CG 4.48Å; C276-A313 HydrophobicContact CB-CB 4.45Å; C276-A313 WeakPolarHBondContact O-CA 3.21Å; C276-V314 PolarHBondContact O-N 2.63Å
277T85.6Confident84.7Confident58 Ų5848.3 Ų48.336%0.35627%0.274SS..  trans-113.2173.9179.168.20000111.5A275 N279 D280A275-T277 PolarHBondContact O-N 2.82Å; T277-N279 PolarHBondContact O-N 2.85Å; T277-N279 PolarHBondContact OG1-N 2.82Å; T277-D280 PolarHBondContact N-OD2 3.03Å; T277-D280 PolarHBondContact O-N 3.48Å; T277-D280 PolarHBondContact OG1-OD2 2.98Å
278E81.9Confident84.8Confident134 Ų13448.8 Ų48.863%0.62628%0.276SS*.THydrogen-bonded Turntrans-64.1-16.4170.8-58.3-167.7163.700113Y281 V314E278-Y281 HydrophobicContact CB-CE1 4.43Å; E278-V314 HydrophobicContact CG-CG1 4.43Å; E278-V314 HydrophobicContact CG-CG2 4.28Å
279N78.3Confident84.7Confident51 Ų5150 Ų5027%0.27328%0.278SS..THydrogen-bonded Turntrans-88.8-6.8179.2-57.5-33.9000113.3T277 I301 S512T277-N279 PolarHBondContact O-N 2.85Å; T277-N279 PolarHBondContact OG1-N 2.82Å; N279-I301 WeakPolarHBondContact O-CD1 3.49Å; N279-S512 WeakPolarHBondContact CB-OG 3.03Å; N279-S512 PolarHBondContact ND2-OG 3.4Å
280D81.1Confident84.4Confident17 Ų1752.2 Ų52.29%0.09129%0.293CS..SBendtrans-92.2-5179.6-67.8-68.6000113.4T277 W300 I301 R509T277-D280 PolarHBondContact N-OD2 3.03Å; T277-D280 PolarHBondContact O-N 3.48Å; T277-D280 PolarHBondContact OG1-OD2 2.98Å; D280-W300 HydrophobicContact CB-CE3 4.17Å; D280-W300 HydrophobicContact CB-CZ3 4Å; D280-I301 WeakPolarHBondContact O-CG1 3.38Å; D280-I301 PolarHBondContact O-N 2.86Å; D280-R509 IonicContact OD1-NH1 2.74Å; D280-R509 PolarHBondContact OD1-NH1 3.03Å
281Y85.1Confident83.9Confident31 Ų3155.9 Ų55.912%0.12231%0.307CS..EExtended strand (participates in β ladder)trans-123.9157.8172.165.1-109.4000111.7E278 Y298 K299 W300 V314 L316 P317E278-Y281 HydrophobicContact CB-CE1 4.43Å; Y281-Y298 AromaticContact CD2-CD1 3.7Å; Y281-Y298 HydrophobicContact CD2-CD1 3.7Å; Y281-Y298 HydrophobicContact CD2-CE1 4.45Å; Y281-Y298 HydrophobicContact CD2-CG 4.49Å; Y281-Y298 AromaticContact CE2-CD1 3.66Å; Y281-Y298 HydrophobicContact CE2-CD1 3.66Å; Y281-Y298 HydrophobicContact CE2-CE1 4.01Å; Y281-K299 CarbonylContact C-O 3.59Å; Y281-K299 WeakPolarHBondContact CA-O 3.41Å; Y281-K299 VanDerWaalsContact CB-O 3.22Å; Y281-K299 WeakPolarHBondContact CB-O 3.38Å; Y281-W300 HydrophobicContact CD1-CE3 4.49Å; Y281-W300 HydrophobicContact CD1-CH2 4.22Å; Y281-W300 AromaticContact CD1-CZ3 3.88Å; Y281-W300 HydrophobicContact CD1-CZ3 3.88Å; Y281-V314 HydrophobicContact CE1-CG1 4Å; Y281-L316 HydrophobicContact CD1-CD1 4.32Å; Y281-L316 HydrophobicContact CG-CD1 4.07Å; Y281-P317 HydrophobicContact CE1-CG 3.92Å; Y281-P317 HydrophobicContact CE2-CG 3.95Å
282F85.8Confident83.7Confident13 Ų1352.5 Ų52.56%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-125167171.564.7-81.4000110.2Y298 K299 I301 E398 T407F282-Y298 CarbonylContact O-C 3.52Å; F282-Y298 VanDerWaalsContact O-CA 3.31Å; F282-Y298 WeakPolarHBondContact O-CA 3.34Å; F282-K299 HydrophobicContact CD1-CB 4.3Å; F282-K299 WeakPolarHBondContact CD1-O 3.23Å; F282-K299 HydrophobicContact CE1-CB 3.8Å; F282-K299 HydrophobicContact CE1-CD 4.38Å; F282-K299 HydrophobicContact CE2-CB 4.22Å; F282-K299 HydrophobicContact CE2-CD 3.74Å; F282-K299 HydrophobicContact CZ-CB 3.77Å; F282-K299 HydrophobicContact CZ-CD 3.53Å; F282-K299 HydrophobicContact CZ-CG 4.33Å; F282-K299 PolarHBondContact N-O 2.77Å; F282-K299 PolarHBondContact O-N 2.83Å; F282-I301 HydrophobicContact CD1-CG1 3.91Å; F282-I301 HydrophobicContact CE1-CG1 4.48Å; F282-E398 HydrophobicContact CD2-CB 4.28Å; F282-E398 HydrophobicContact CD2-CG 3.9Å; F282-E398 HydrophobicContact CE2-CB 4.33Å; F282-E398 HydrophobicContact CE2-CG 3.74Å; F282-T407 HydrophobicContact CB-CG2 4.26Å; F282-T407 HydrophobicContact CD2-CG2 4.03Å; F282-T407 HydrophobicContact CG-CG2 4.1Å
283Y86.6Confident83.7Confident63 Ų6350.7 Ų50.725%0.24728%0.282CS..EExtended strand (participates in β ladder)trans-112.6149.4175.463.3-87.8000110.7L296 M297 A400 Y403 Y405Y283-L296 HydrophobicContact CD2-CD1 3.96Å; Y283-L296 HydrophobicContact CD2-CG 4.43Å; Y283-L296 HydrophobicContact CG-CD1 4.49Å; Y283-M297 WeakPolarHBondContact CA-O 3.21Å; Y283-A400 HydrophobicContact CE2-CB 3.92Å; Y283-Y403 PolarHBondContact OH-OH 2.81Å; Y283-Y405 WeakPolarHBondContact CD1-OH 3.43Å; Y283-Y405 HydrophobicContact CD2-CE1 4.39Å; Y283-Y405 HydrophobicContact CE1-CE1 4.29Å; Y283-Y405 HydrophobicContact CE1-CE2 4.18Å; Y283-Y405 AromaticContact CE1-CZ 3.71Å; Y283-Y405 WeakPolarHBondContact CE1-OH 3.35Å; Y283-Y405 AromaticContact CE2-CE1 3.97Å; Y283-Y405 HydrophobicContact CE2-CE1 3.97Å; Y283-Y405 AromaticContact CZ-CE1 3.89Å; Y283-Y405 AromaticContact CZ-CZ 3.76Å; Y283-Y405 PolarHBondContact N-OH 2.65Å; Y283-Y405 PolarHBondContact O-OH 3.07Å
284T87Confident83.7Confident4 Ų448.8 Ų48.83%0.02528%0.276CS..EExtended strand (participates in β ladder)trans-147.4157.8179.7-175.30000109.6M297 K299 E398T284-M297 WeakPolarHBondContact CG2-O 3.38Å; T284-M297 PolarHBondContact N-O 2.81Å; T284-M297 PolarHBondContact O-N 2.82Å; T284-K299 HydrophobicContact CG2-CD 3.89Å; T284-K299 HydrophobicContact CG2-CG 4.25Å; T284-E398 WeakPolarHBondContact CB-OE1 3.46Å; T284-E398 VanDerWaalsContact OG1-CD 3.31Å; T284-E398 WeakPolarHBondContact OG1-CG 3.33Å; T284-E398 PolarHBondContact OG1-OE1 3.15Å
285H84.3Confident83.8Confident30 Ų3050.9 Ų50.914%0.13928%0.276CS..EExtended strand (participates in β ladder)trans-87.7134.8168-75.482000109.9V399 A400H285-V399 PolarHBondContact N-O 3Å; H285-A400 PolarHBondContact CE1-O 2.68Å
286T84.9Confident83.8Confident26 Ų2651.3 Ų51.316%0.1627%0.274CS..PPolyproline II helixtrans-63145.9167.860.80000109.3T294 R295 M297T286-T294 WeakPolarHBondContact O-CB 3.47Å; T286-T294 PolarHBondContact O-OG1 3.06Å; T286-R295 HydrophobicContact CG2-CG 3.73Å; T286-R295 PolarHBondContact N-O 2.99Å; T286-R295 PolarHBondContact OG1-N 2.88Å; T286-R295 VanDerWaalsContact OG1-N 3.08Å; T286-R295 PolarHBondContact OG1-O 3.01Å; T286-M297 HydrophobicContact CG2-CB 4.11Å; T286-M297 HydrophobicContact CG2-CE 4.2Å; T286-M297 HydrophobicContact CG2-SD 3.98Å
287P82.3Confident83.8Confident87 Ų8753.7 Ų53.757%0.56529%0.285SS*.PPolyproline II helixtrans-49.6151.5165.4-25.834.9000111D289 T374P287-D289 PolarHBondContact O-N 3.08Å; P287-T374 HydrophobicContact CB-CG2 4.28Å; P287-T374 HydrophobicContact CG-CG2 4.46Å
288C83.2Confident83.9Confident31 Ų3154 Ų5421%0.20928%0.28CS..PPolyproline II helixtrans-59.5132176.9-59.90000110K293 C325 S338C288-K293 WeakPolarHBondContact CA-O 3.42Å; C288-C325 HydrophobicContact CB-CB 4.21Å; C288-C325 WeakPolarHBondContact CB-SG 3.41Å; C288-C325 WeakPolarHBondContact SG-CB 3.41Å; C288-C325 CovalentContact SG-SG 2.04Å; C288-C325 PolarHBondContact SG-SG 2.82Å; C288-S338 PolarHBondContact O-OG 3.49Å
289D82.4Confident84.1Confident48 Ų4851.5 Ų51.526%0.25727%0.267SS..PPolyproline II helixtrans-81.6169.9168.866.727.8000111.2P287 E291 G292 K293 K322 S338P287-D289 PolarHBondContact O-N 3.08Å; D289-E291 PolarHBondContact O-N 2.04Å; D289-E291 WeakPolarHBondContact OD1-CA 3.41Å; D289-E291 WeakPolarHBondContact OD1-CB 3.47Å; D289-E291 PolarHBondContact OD1-N 2.85Å; D289-G292 WeakPolarHBondContact O-CA 3.22Å; D289-G292 PolarHBondContact O-N 2.84Å; D289-G292 PolarHBondContact OD1-N 2.92Å; D289-K293 PolarHBondContact N-O 2.83Å; D289-K293 WeakPolarHBondContact OD1-CB 3.35Å; D289-K293 PolarHBondContact OD1-N 3.45Å; D289-K322 VanDerWaalsContact OD2-CE 3.22Å; D289-K322 WeakPolarHBondContact OD2-CE 3.46Å; D289-K322 IonicContact OD2-NZ 2.6Å; D289-K322 PolarHBondContact OD2-NZ 3.04Å; D289-S338 WeakPolarHBondContact O-CB 3.27Å; D289-S338 PolarHBondContact O-OG 3.37Å; D289-S338 VanDerWaalsContact O-OG 3.08Å
290S79.1Confident84.5Confident112 Ų11251 Ų5178%0.78326%0.261SS*.THydrogen-bonded Turntrans-65.8-3.5179.952.30000114.8G292S290-G292 VanDerWaalsContact C-N 3.33Å
291E79.2Confident84.4Confident116 Ų11651.2 Ų51.254%0.54226%0.262SS..THydrogen-bonded Turntrans-924.8167.6-55.1171.2-168.500112.1D289 K293 K322D289-E291 PolarHBondContact O-N 2.04Å; D289-E291 WeakPolarHBondContact OD1-CA 3.41Å; D289-E291 WeakPolarHBondContact OD1-CB 3.47Å; D289-E291 PolarHBondContact OD1-N 2.85Å; E291-K293 HydrophobicContact CB-CD 3.9Å; E291-K293 HydrophobicContact CB-CG 4.34Å; E291-K293 WeakPolarHBondContact OE2-CD 3.2Å; E291-K293 WeakPolarHBondContact OE2-CE 3.44Å; E291-K293 IonicContact OE2-NZ 2.75Å; E291-K293 PolarHBondContact OE2-NZ 2.93Å; E291-K322 IonicContact OE1-NZ 3.15Å; E291-K322 PolarHBondContact OE1-NZ 2.84Å; E291-K322 IonicContact OE2-NZ 3.21Å; E291-K322 PolarHBondContact OE2-NZ 2.95Å
292G79.7Confident83.8Confident31 Ų3157.2 Ų57.232%0.3229%0.292SS..SBendtrans72.429.3-175.200000113.4D289 S290 C325D289-G292 WeakPolarHBondContact O-CA 3.22Å; D289-G292 PolarHBondContact O-N 2.84Å; D289-G292 PolarHBondContact OD1-N 2.92Å; S290-G292 VanDerWaalsContact C-N 3.33Å; G292-C325 WeakPolarHBondContact O-CB 3.07Å; G292-C325 PolarHBondContact O-N 2.82Å
293K85.9Confident83.2Confident68 Ų6860 Ų6030%0.29631%0.311SS..EExtended strand (participates in β ladder)trans-120.8144.9-173.1-64.1163-159.7164.70113C288 D289 E291 K322 Q323C288-K293 WeakPolarHBondContact CA-O 3.42Å; D289-K293 PolarHBondContact N-O 2.83Å; D289-K293 WeakPolarHBondContact OD1-CB 3.35Å; D289-K293 PolarHBondContact OD1-N 3.45Å; E291-K293 HydrophobicContact CB-CD 3.9Å; E291-K293 HydrophobicContact CB-CG 4.34Å; E291-K293 WeakPolarHBondContact OE2-CD 3.2Å; E291-K293 WeakPolarHBondContact OE2-CE 3.44Å; E291-K293 IonicContact OE2-NZ 2.75Å; E291-K293 PolarHBondContact OE2-NZ 2.93Å; K293-K322 HydrophobicContact CB-CB 4.28Å; K293-K322 HydrophobicContact CB-CD 3.91Å; K293-K322 HydrophobicContact CB-CG 4.46Å; K293-K322 HydrophobicContact CD-CB 4.35Å; K293-K322 HydrophobicContact CD-CD 3.74Å; K293-K322 HydrophobicContact CG-CD 4.44Å; K293-Q323 CarbonylContact C-O 3.58Å; K293-Q323 WeakPolarHBondContact CA-O 3.31Å; K293-Q323 WeakPolarHBondContact CB-O 3.18Å
294T85.5Confident82.9Confident9 Ų960.7 Ų60.76%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-119163170.9179.50000109.9T286 K322 Q323T286-T294 WeakPolarHBondContact O-CB 3.47Å; T286-T294 PolarHBondContact O-OG1 3.06Å; T294-K322 CarbonylContact O-C 3.55Å; T294-K322 WeakPolarHBondContact O-CA 3.46Å; T294-Q323 PolarHBondContact N-O 3.06Å; T294-Q323 PolarHBondContact O-N 2.82Å
295R87Confident82.6Confident109 Ų10961.9 Ų61.941%0.41132%0.321SS..  trans-137.4146.916663.2178.9-175.4-1740.7109.9T286T286-R295 HydrophobicContact CG2-CG 3.73Å; T286-R295 PolarHBondContact N-O 2.99Å; T286-R295 PolarHBondContact OG1-N 2.88Å; T286-R295 VanDerWaalsContact OG1-N 3.08Å; T286-R295 PolarHBondContact OG1-O 3.01Å
296L86.4Confident82.5Confident38 Ų3860.8 Ų60.820%0.19932%0.317CS..EExtended strand (participates in β ladder)trans-69.5132.4167.3-173.4151.7000109.2Y283 Y298 S319 G320Y283-L296 HydrophobicContact CD2-CD1 3.96Å; Y283-L296 HydrophobicContact CD2-CG 4.43Å; Y283-L296 HydrophobicContact CG-CD1 4.49Å; L296-Y298 HydrophobicContact CD2-CD2 4.07Å; L296-Y298 HydrophobicContact CD2-CE1 4.18Å; L296-Y298 HydrophobicContact CD2-CE2 3.43Å; L296-Y298 VanDerWaalsContact CD2-CE2 3.43Å; L296-Y298 VanDerWaalsContact CD2-CZ 3.49Å; L296-S319 CarbonylContact O-C 3.55Å; L296-S319 WeakPolarHBondContact O-CA 3.43Å; L296-G320 PolarHBondContact O-N 2.99Å
297M88Confident82.6Confident51 Ų5160.5 Ų60.525%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-138.2137.2-176.3-174.3175.476.200109.7Y283 T284 T286 K299Y283-M297 WeakPolarHBondContact CA-O 3.21Å; T284-M297 WeakPolarHBondContact CG2-O 3.38Å; T284-M297 PolarHBondContact N-O 2.81Å; T284-M297 PolarHBondContact O-N 2.82Å; T286-M297 HydrophobicContact CG2-CB 4.11Å; T286-M297 HydrophobicContact CG2-CE 4.2Å; T286-M297 HydrophobicContact CG2-SD 3.98Å; M297-K299 HydrophobicContact CE-CG 4.44Å
298Y87.9Confident82.9Confident66 Ų6659.5 Ų59.526%0.25930%0.304SS..EExtended strand (participates in β ladder)trans-91.8146.4176.7-60.2-90.2000110.5Y281 F282 L296 P317Y281-Y298 AromaticContact CD2-CD1 3.7Å; Y281-Y298 HydrophobicContact CD2-CD1 3.7Å; Y281-Y298 HydrophobicContact CD2-CE1 4.45Å; Y281-Y298 HydrophobicContact CD2-CG 4.49Å; Y281-Y298 AromaticContact CE2-CD1 3.66Å; Y281-Y298 HydrophobicContact CE2-CD1 3.66Å; Y281-Y298 HydrophobicContact CE2-CE1 4.01Å; F282-Y298 CarbonylContact O-C 3.52Å; F282-Y298 VanDerWaalsContact O-CA 3.31Å; F282-Y298 WeakPolarHBondContact O-CA 3.34Å; L296-Y298 HydrophobicContact CD2-CD2 4.07Å; L296-Y298 HydrophobicContact CD2-CE1 4.18Å; L296-Y298 HydrophobicContact CD2-CE2 3.43Å; L296-Y298 VanDerWaalsContact CD2-CE2 3.43Å; L296-Y298 VanDerWaalsContact CD2-CZ 3.49Å; Y298-P317 HydrophobicContact CD1-CB 4.49Å; Y298-P317 HydrophobicContact CD1-CG 4.19Å; Y298-P317 HydrophobicContact CD2-CB 3.66Å; Y298-P317 HydrophobicContact CD2-CG 4.22Å; Y298-P317 WeakPolarHBondContact CD2-O 3.36Å; Y298-P317 HydrophobicContact CE1-CG 4.38Å; Y298-P317 HydrophobicContact CE2-CB 3.76Å; Y298-P317 HydrophobicContact CE2-CG 4.43Å; Y298-P317 HydrophobicContact CG-CB 4.06Å; Y298-P317 HydrophobicContact CG-CG 4.1Å
299K86.9Confident82.9Confident80 Ų8064.2 Ų64.235%0.34833%0.332SS..EExtended strand (participates in β ladder)trans-134.6139.5176.1-67.1172.8179.6163.40109.4Y281 F282 T284 M297 E398Y281-K299 CarbonylContact C-O 3.59Å; Y281-K299 WeakPolarHBondContact CA-O 3.41Å; Y281-K299 VanDerWaalsContact CB-O 3.22Å; Y281-K299 WeakPolarHBondContact CB-O 3.38Å; F282-K299 HydrophobicContact CD1-CB 4.3Å; F282-K299 WeakPolarHBondContact CD1-O 3.23Å; F282-K299 HydrophobicContact CE1-CB 3.8Å; F282-K299 HydrophobicContact CE1-CD 4.38Å; F282-K299 HydrophobicContact CE2-CB 4.22Å; F282-K299 HydrophobicContact CE2-CD 3.74Å; F282-K299 HydrophobicContact CZ-CB 3.77Å; F282-K299 HydrophobicContact CZ-CD 3.53Å; F282-K299 HydrophobicContact CZ-CG 4.33Å; F282-K299 PolarHBondContact N-O 2.77Å; F282-K299 PolarHBondContact O-N 2.83Å; T284-K299 HydrophobicContact CG2-CD 3.89Å; T284-K299 HydrophobicContact CG2-CG 4.25Å; M297-K299 HydrophobicContact CE-CG 4.44Å; K299-E398 IonicContact NZ-OE1 3.48Å; K299-E398 PolarHBondContact NZ-OE1 3.14Å
300W85.4Confident83Confident40 Ų4064.9 Ų64.915%0.15234%0.337CS..EExtended strand (participates in β ladder)trans-64.2149.1165.6-66.8117000110.6C276 D280 Y281 K304 E308 L316C276-W300 HydrophobicContact CB-CH2 3.63Å; C276-W300 HydrophobicContact CB-CZ3 3.76Å; D280-W300 HydrophobicContact CB-CE3 4.17Å; D280-W300 HydrophobicContact CB-CZ3 4Å; Y281-W300 HydrophobicContact CD1-CE3 4.49Å; Y281-W300 HydrophobicContact CD1-CH2 4.22Å; Y281-W300 AromaticContact CD1-CZ3 3.88Å; Y281-W300 HydrophobicContact CD1-CZ3 3.88Å; W300-K304 HydrophobicContact CB-CD 4.4Å; W300-K304 HydrophobicContact CB-CG 4.4Å; W300-K304 HydrophobicContact CD2-CD 4.31Å; W300-K304 HydrophobicContact CG-CD 4Å; W300-K304 HydrophobicContact CG-CG 4.41Å; W300-E308 HydrophobicContact CH2-CG 4.23Å; W300-E308 VanDerWaalsContact CZ2-CD 3.4Å; W300-E308 HydrophobicContact CZ2-CG 3.73Å; W300-E308 PolarHBondContact NE1-OE1 3.3Å; W300-L316 HydrophobicContact CD2-CD1 4.1Å; W300-L316 HydrophobicContact CG-CD1 4.35Å; W300-L316 HydrophobicContact CZ2-CB 3.74Å; W300-L316 HydrophobicContact CZ2-CD1 4.33Å
301I79.1Confident83.1Confident22 Ų2263.2 Ų63.211%0.11334%0.338CS..PPolyproline II helixtrans-72.4136.6171.1-61.8164.9000109.1N279 D280 F282 P303 K304N279-I301 WeakPolarHBondContact O-CD1 3.49Å; D280-I301 WeakPolarHBondContact O-CG1 3.38Å; D280-I301 PolarHBondContact O-N 2.86Å; F282-I301 HydrophobicContact CD1-CG1 3.91Å; F282-I301 HydrophobicContact CE1-CG1 4.48Å; I301-P303 CarbonylContact O-C 3.54Å; I301-P303 VanDerWaalsContact O-C 3.24Å; I301-K304 WeakPolarHBondContact O-CA 3.06Å; I301-K304 PolarHBondContact O-N 3.01Å
302E73.8Confident83.2Confident158 Ų15861.4 Ų61.474%0.73835%0.35SS*.SBendtrans-101.2130.9-179-68-176178.400112.1
303P73.3Confident83.5Confident71 Ų7161 Ų6146%0.46134%0.343SS..SBendcis-75.2144.8-2.432.4-35.5000112.4I301 I305I301-P303 CarbonylContact O-C 3.54Å; I301-P303 VanDerWaalsContact O-C 3.24Å; P303-I305 PolarHBondContact O-N 3.48Å
304K80.1Confident83.6Confident77 Ų7759.9 Ų59.934%0.33534%0.343SS..  trans-72.6100.2177.9-173.2-173179.9-175.90110.4R273 W300 I301 C306 E308R273-K304 PolarHBondContact NH1-O 2.88Å; W300-K304 HydrophobicContact CB-CD 4.4Å; W300-K304 HydrophobicContact CB-CG 4.4Å; W300-K304 HydrophobicContact CD2-CD 4.31Å; W300-K304 HydrophobicContact CG-CD 4Å; W300-K304 HydrophobicContact CG-CG 4.41Å; I301-K304 WeakPolarHBondContact O-CA 3.06Å; I301-K304 PolarHBondContact O-N 3.01Å; K304-C306 WeakPolarHBondContact CE-O 3.45Å; K304-E308 IonicContact NZ-OE1 3.47Å; K304-E308 PolarHBondContact NZ-OE1 3.03Å
305I80.1Confident83.7Confident30 Ų3066.7 Ų66.715%0.15437%0.371CS..  trans-75.7-46.1177-70.5162000110.9Y262 R273 P274 P303Y262-I305 HydrophobicContact CD1-CG2 3.95Å; Y262-I305 HydrophobicContact CD2-CG1 4.15Å; Y262-I305 HydrophobicContact CD2-CG2 3.97Å; Y262-I305 HydrophobicContact CE1-CG2 3.7Å; Y262-I305 HydrophobicContact CE2-CD1 4.24Å; Y262-I305 HydrophobicContact CE2-CG1 4.1Å; Y262-I305 HydrophobicContact CE2-CG2 3.71Å; Y262-I305 HydrophobicContact CG-CG2 4.08Å; R273-I305 WeakPolarHBondContact CD-O 3.32Å; R273-I305 VanDerWaalsContact CG-O 3.23Å; R273-I305 WeakPolarHBondContact CG-O 3.26Å; R273-I305 PolarHBondContact NH1-O 2.84Å; R273-I305 VanDerWaalsContact NH1-O 3.12Å; P274-I305 HydrophobicContact CG-CG2 4.36Å; P303-I305 PolarHBondContact O-N 3.48Å
306C83.5Confident83.7Confident6 Ų664.5 Ų64.54%0.04137%0.367CS..SBendtrans-72.2158.2-171.673.80000114.5P274 C276 K304P274-C306 HydrophobicContact CG-CB 4.49Å; P274-C306 CarbonylContact O-C 3.47Å; P274-C306 VanDerWaalsContact O-CA 3.29Å; P274-C306 WeakPolarHBondContact O-CA 3.3Å; P274-C306 WeakPolarHBondContact O-CB 3.24Å; C276-C306 WeakPolarHBondContact CA-SG 3.5Å; C276-C306 HydrophobicContact CB-CB 3.83Å; C276-C306 WeakPolarHBondContact CB-SG 3.41Å; C276-C306 WeakPolarHBondContact SG-CB 3.34Å; C276-C306 CovalentContact SG-SG 2.04Å; C276-C306 PolarHBondContact SG-SG 2.88Å; K304-C306 WeakPolarHBondContact CE-O 3.45Å
307S86.6Confident83.8Confident20 Ų2064.6 Ų64.614%0.1437%0.37CS..BIsolated β-bridgetrans-110.3140.8174.6-178.90000113.2P274 C276 T309 A313P274-S307 PolarHBondContact O-N 3.21Å; C276-S307 PolarHBondContact N-O 2.96Å; S307-T309 PolarHBondContact OG-N 3.1Å; S307-T309 PolarHBondContact OG-OG1 2.94Å; S307-A313 VanDerWaalsContact O-CB 3.23Å; S307-A313 WeakPolarHBondContact O-CB 3.4Å
308E88Confident83.8Confident67 Ų6766.5 Ų66.531%0.31339%0.394SS..SBendtrans-88.9-5.2174.1-71.4179-99.900113.5C276 W300 K304C276-E308 HydrophobicContact CB-CG 4.48Å; W300-E308 HydrophobicContact CH2-CG 4.23Å; W300-E308 VanDerWaalsContact CZ2-CD 3.4Å; W300-E308 HydrophobicContact CZ2-CG 3.73Å; W300-E308 PolarHBondContact NE1-OE1 3.3Å; K304-E308 IonicContact NZ-OE1 3.47Å; K304-E308 PolarHBondContact NZ-OE1 3.03Å
309T83.7Confident83.7Confident130 Ų13066 Ų6680%0.79840%0.4SS*.SBendtrans-94.5-14-179.757.90000113.6S307S307-T309 PolarHBondContact OG-N 3.1Å; S307-T309 PolarHBondContact OG-OG1 2.94Å
310V84.1Confident83.6Confident62 Ų6263.8 Ų63.838%0.37640%0.4SS..SBendtrans-72.1139.6178.2-179.60000109.9A275 G312 A313A275-V310 HydrophobicContact CB-CB 3.99Å; A275-V310 HydrophobicContact CB-CG1 3.86Å; V310-G312 PolarHBondContact O-N 3.41Å; V310-A313 VanDerWaalsContact O-CB 3.22Å; V310-A313 WeakPolarHBondContact O-CB 3.43Å; V310-A313 PolarHBondContact O-N 3.35Å
311G81.1Confident83.7Confident77 Ų7770.8 Ų70.879%0.79443%0.432SS*.THydrogen-bonded Turntrans-57.9122.7179.500000112
312G81.3Confident83.9Confident78 Ų7874.6 Ų74.680%0.80445%0.447SS*.THydrogen-bonded Turntrans94.7-4.3-176.100000115.2V310V310-G312 PolarHBondContact O-N 3.41Å
313A86.6Confident84.4Confident21 Ų2172.7 Ų72.717%0.17444%0.438CS..PPolyproline II helixtrans-65.4135.9177.200000113A275 C276 S307 V310A275-A313 HydrophobicContact CB-CB 3.96Å; C276-A313 HydrophobicContact CB-CB 4.45Å; C276-A313 WeakPolarHBondContact O-CA 3.21Å; S307-A313 VanDerWaalsContact O-CB 3.23Å; S307-A313 WeakPolarHBondContact O-CB 3.4Å; V310-A313 VanDerWaalsContact O-CB 3.22Å; V310-A313 WeakPolarHBondContact O-CB 3.43Å; V310-A313 PolarHBondContact O-N 3.35Å
314V87.8Confident85Confident46 Ų4675 Ų7528%0.27945%0.452SS..PPolyproline II helixtrans-75.2140.9171.2-176.80000109.5C276 E278 Y281C276-V314 PolarHBondContact O-N 2.63Å; E278-V314 HydrophobicContact CG-CG1 4.43Å; E278-V314 HydrophobicContact CG-CG2 4.28Å; Y281-V314 HydrophobicContact CE1-CG1 4Å
315K87.3Confident85.1Confident152 Ų15272.7 Ų72.766%0.66145%0.445SS*.PPolyproline II helixtrans-97.2149.8173.1-64.5-175.4179.3-177.60110.4P317K315-P317 WeakPolarHBondContact O-CD 3.23Å
316L87.6Confident85.3Confident63 Ų6373.5 Ų73.533%0.3345%0.452SS..PPolyproline II helixtrans-56.5123.7-178.7-167.667.3000110.8Y281 W300Y281-L316 HydrophobicContact CD1-CD1 4.32Å; Y281-L316 HydrophobicContact CG-CD1 4.07Å; W300-L316 HydrophobicContact CD2-CD1 4.1Å; W300-L316 HydrophobicContact CG-CD1 4.35Å; W300-L316 HydrophobicContact CZ2-CB 3.74Å; W300-L316 HydrophobicContact CZ2-CD1 4.33Å
317P88.4Confident85.4Confident40 Ų4075.4 Ų75.426%0.2646%0.464SS..PPolyproline II helixtrans-66.3149.1-174.4-20.431000113.2Y281 Y298 K315Y281-P317 HydrophobicContact CE1-CG 3.92Å; Y281-P317 HydrophobicContact CE2-CG 3.95Å; Y298-P317 HydrophobicContact CD1-CB 4.49Å; Y298-P317 HydrophobicContact CD1-CG 4.19Å; Y298-P317 HydrophobicContact CD2-CB 3.66Å; Y298-P317 HydrophobicContact CD2-CG 4.22Å; Y298-P317 WeakPolarHBondContact CD2-O 3.36Å; Y298-P317 HydrophobicContact CE1-CG 4.38Å; Y298-P317 HydrophobicContact CE2-CB 3.76Å; Y298-P317 HydrophobicContact CE2-CG 4.43Å; Y298-P317 HydrophobicContact CG-CB 4.06Å; Y298-P317 HydrophobicContact CG-CG 4.1Å; K315-P317 WeakPolarHBondContact O-CD 3.23Å
318A87.1Confident85.5Confident91 Ų9174.7 Ų74.775%0.75246%0.459SS*.PPolyproline II helixtrans-62.2141.617800000111.7
319S86.8Confident85.5Confident54 Ų5472.4 Ų72.438%0.37845%0.449SS..PPolyproline II helixtrans-62.3145.1177.9-47.70000112L296L296-S319 CarbonylContact O-C 3.55Å; L296-S319 WeakPolarHBondContact O-CA 3.43Å
320G84.3Confident85.8Confident34 Ų3466.8 Ų66.835%0.35142%0.415SS..PPolyproline II helixtrans-66.1169.5178.100000113.9L296L296-G320 PolarHBondContact O-N 2.99Å
321K86.6Confident86Confident187 Ų18763.8 Ų63.881%0.81340%0.397SS*.PPolyproline II helixtrans-61.5148.5172.7-61.1-179.8-177.7177.20110.3Q323K321-Q323 PolarHBondContact O-N 3.03Å
322K84.6Confident86.3Confident102 Ų10261.9 Ų61.944%0.44337%0.367SS..PPolyproline II helixtrans-59.2133.5167-75.2-161.5-174.9-167.70109.6D289 E291 K293 T294D289-K322 VanDerWaalsContact OD2-CE 3.22Å; D289-K322 WeakPolarHBondContact OD2-CE 3.46Å; D289-K322 IonicContact OD2-NZ 2.6Å; D289-K322 PolarHBondContact OD2-NZ 3.04Å; E291-K322 IonicContact OE1-NZ 3.15Å; E291-K322 PolarHBondContact OE1-NZ 2.84Å; E291-K322 IonicContact OE2-NZ 3.21Å; E291-K322 PolarHBondContact OE2-NZ 2.95Å; K293-K322 HydrophobicContact CB-CB 4.28Å; K293-K322 HydrophobicContact CB-CD 3.91Å; K293-K322 HydrophobicContact CB-CG 4.46Å; K293-K322 HydrophobicContact CD-CB 4.35Å; K293-K322 HydrophobicContact CD-CD 3.74Å; K293-K322 HydrophobicContact CG-CD 4.44Å; T294-K322 CarbonylContact O-C 3.55Å; T294-K322 WeakPolarHBondContact O-CA 3.46Å
323Q84.3Confident86.6Confident118 Ų11861 Ų6155%0.55134%0.341SS*.EExtended strand (participates in β ladder)trans-122.6155.2173.1-56.4-175.730.100108.8K293 T294 K321K293-Q323 CarbonylContact C-O 3.58Å; K293-Q323 WeakPolarHBondContact CA-O 3.31Å; K293-Q323 WeakPolarHBondContact CB-O 3.18Å; T294-Q323 PolarHBondContact N-O 3.06Å; T294-Q323 PolarHBondContact O-N 2.82Å; K321-Q323 PolarHBondContact O-N 3.03Å
324T85Confident86.5Confident121 Ų12163.4 Ų63.474%0.74235%0.353SS*.EExtended strand (participates in β ladder)trans-67.8135.417345.30000110.6
325C82.4Confident86Confident28 Ų2862.2 Ų62.219%0.18935%0.346CS..PPolyproline II helixtrans-65.7148.9175.5-78.40000112.3C288 G292C288-C325 HydrophobicContact CB-CB 4.21Å; C288-C325 WeakPolarHBondContact CB-SG 3.41Å; C288-C325 WeakPolarHBondContact SG-CB 3.41Å; C288-C325 CovalentContact SG-SG 2.04Å; C288-C325 PolarHBondContact SG-SG 2.82Å; G292-C325 WeakPolarHBondContact O-CB 3.07Å; G292-C325 PolarHBondContact O-N 2.82Å
326P83.6Confident85.3Confident46 Ų4663.5 Ų63.530%0.29936%0.36SS..PPolyproline II helixtrans-63.8164.6163.531-35.9000110.6W371 T373P326-W371 HydrophobicContact CB-CB 4.33Å; P326-W371 HydrophobicContact CB-CD2 3.94Å; P326-W371 HydrophobicContact CB-CE3 4.04Å; P326-W371 HydrophobicContact CB-CG 4.07Å; P326-W371 HydrophobicContact CG-CB 4.14Å; P326-W371 HydrophobicContact CG-CG 4.42Å; P326-T373 HydrophobicContact CG-CG2 3.54Å
327P86.3Confident84.3Confident46 Ų4664.4 Ų64.430%0.29937%0.371SS..PPolyproline II helixtrans-61.1168.4168.829.3-35.8000111.2K352 W371P327-K352 HydrophobicContact CB-CG 4.43Å; P327-W371 VanDerWaalsContact O-CD1 3.25Å
328C87.8Confident83.5Confident5 Ų563.8 Ų63.83%0.03437%0.368CS..PPolyproline II helixtrans-62.1162.7172-68.90000111.4F332 V334 C340 G351C328-F332 HydrophobicContact CB-CB 3.85Å; C328-V334 VanDerWaalsContact SG-CG2 3.57Å; C328-C340 VanDerWaalsContact CA-SG 3.52Å; C328-C340 HydrophobicContact CB-CB 3.78Å; C328-C340 WeakPolarHBondContact CB-SG 3.48Å; C328-C340 WeakPolarHBondContact SG-CA 3.46Å; C328-C340 WeakPolarHBondContact SG-CB 3.48Å; C328-C340 CovalentContact SG-SG 2.03Å; C328-C340 PolarHBondContact SG-SG 2.95Å; C328-G351 WeakPolarHBondContact CB-O 3.26Å; C328-G351 PolarHBondContact N-O 3.45Å; C328-G351 WeakPolarHBondContact O-CA 3.45Å
329N89.8Confident83Confident19 Ų1961.6 Ų61.610%0.10235%0.35CS..PPolyproline II helixtrans-58.5144.6169.8-77.6-60.2000110.3F332 Y369 K370 W371N329-F332 HydrophobicContact CB-CD2 4.18Å; N329-F332 VanDerWaalsContact O-CB 3.32Å; N329-F332 WeakPolarHBondContact O-CB 3.34Å; N329-F332 WeakPolarHBondContact O-CD2 3.4Å; N329-F332 PolarHBondContact O-N 2.85Å; N329-Y369 HydrophobicContact CB-CD1 4.39Å; N329-K370 PolarHBondContact OD1-N 3.14Å; N329-W371 PolarHBondContact ND2-O 3.36Å; N329-W371 PolarHBondContact OD1-N 3.03Å; N329-W371 PolarHBondContact OD1-O 2.79Å
330P90.1Very high82.9Confident12 Ų1261.4 Ų61.48%0.07835%0.348CS..THydrogen-bonded Turntrans-50.6141.3178.6-30.837.4000113.4F332 E368P330-F332 VanDerWaalsContact C-N 3.27Å; P330-F332 PolarHBondContact O-N 2.87Å; P330-E368 HydrophobicContact CB-CB 4.4Å; P330-E368 HydrophobicContact CG-CG 4.44Å
331G87.1Confident83Confident0 Ų064.1 Ų64.10%035%0.352CS..THydrogen-bonded Turntrans77.60.6-169.800000116C343 S349 V530 A531G331-C343 WeakPolarHBondContact O-CB 3.49Å; G331-C343 PolarHBondContact O-N 3.35Å; G331-C343 PolarHBondContact O-SG 3.21Å; G331-S349 PolarHBondContact N-O 2.91Å; G331-V530 WeakPolarHBondContact O-CB 3.34Å; G331-A531 WeakPolarHBondContact CA-O 3.41Å
332F88.4Confident83.1Confident37 Ų3758.8 Ų58.816%0.16234%0.336CS..EExtended strand (participates in β ladder)trans-110.8161.1167.4-62.6-105.5000110.6C328 N329 P330 C340 E341 P342 S349 G351 V530C328-F332 HydrophobicContact CB-CB 3.85Å; N329-F332 HydrophobicContact CB-CD2 4.18Å; N329-F332 VanDerWaalsContact O-CB 3.32Å; N329-F332 WeakPolarHBondContact O-CB 3.34Å; N329-F332 WeakPolarHBondContact O-CD2 3.4Å; N329-F332 PolarHBondContact O-N 2.85Å; P330-F332 VanDerWaalsContact C-N 3.27Å; P330-F332 PolarHBondContact O-N 2.87Å; F332-C340 HydrophobicContact CB-CB 4.23Å; F332-C340 HydrophobicContact CD1-CB 4.46Å; F332-E341 CarbonylContact C-O 3.42Å; F332-E341 WeakPolarHBondContact CA-O 3.35Å; F332-E341 WeakPolarHBondContact CB-O 3.29Å; F332-P342 HydrophobicContact CD1-CB 4.13Å; F332-P342 HydrophobicContact CE1-CB 3.97Å; F332-S349 WeakPolarHBondContact O-CB 3.45Å; F332-S349 PolarHBondContact O-OG 2.76Å; F332-G351 CarbonylContact O-C 3.54Å; F332-G351 WeakPolarHBondContact O-CA 3.25Å; F332-V530 HydrophobicContact CD2-CG2 3.99Å; F332-V530 HydrophobicContact CE2-CG1 4.25Å; F332-V530 HydrophobicContact CE2-CG2 3.62Å; F332-V530 HydrophobicContact CZ-CG1 4.29Å; F332-V530 HydrophobicContact CZ-CG2 4.36Å
333F87.2Confident83.3Confident59 Ų5954.5 Ų54.526%0.25932%0.319SS..EExtended strand (participates in β ladder)trans-127.6157.5175.372.5-77000111.5T335 C340 E341 K352 C354F333-T335 HydrophobicContact CD2-CG2 4.4Å; F333-T335 HydrophobicContact CE2-CG2 3.73Å; F333-T335 HydrophobicContact CZ-CG2 4.01Å; F333-C340 WeakPolarHBondContact O-CA 3.31Å; F333-E341 HydrophobicContact CD1-CB 4.32Å; F333-E341 WeakPolarHBondContact CD1-O 3.29Å; F333-E341 HydrophobicContact CE1-CB 3.63Å; F333-E341 HydrophobicContact CZ-CB 3.88Å; F333-E341 PolarHBondContact N-O 3.15Å; F333-E341 PolarHBondContact O-N 3.05Å; F333-E341 VanDerWaalsContact O-N 3.11Å; F333-K352 WeakPolarHBondContact CB-O 3.44Å; F333-C354 WeakPolarHBondContact CD1-SG 3.34Å
334V83.4Confident83.3Confident71 Ų7152.5 Ų52.543%0.4332%0.318SS..EExtended strand (participates in β ladder)trans-83.6122.9179.1-176.80000109.7C328 K352C328-V334 VanDerWaalsContact SG-CG2 3.57Å; V334-K352 PolarHBondContact N-O 2.61Å
335T78.4Confident82.9Confident22 Ų2251.4 Ų51.414%0.13531%0.307CS..  trans-88.9164.7172.362.10000112.2F333 S337 S338 A339 E341F333-T335 HydrophobicContact CD2-CG2 4.4Å; F333-T335 HydrophobicContact CE2-CG2 3.73Å; F333-T335 HydrophobicContact CZ-CG2 4.01Å; T335-S337 PolarHBondContact O-N 2.81Å; T335-S337 PolarHBondContact OG1-OG 3.46Å; T335-S337 VanDerWaalsContact OG1-OG 3.08Å; T335-S338 PolarHBondContact O-N 2.84Å; T335-A339 WeakPolarHBondContact CB-O 3.09Å; T335-A339 PolarHBondContact N-O 2.87Å; T335-A339 PolarHBondContact OG1-N 3.32Å; T335-A339 PolarHBondContact OG1-O 3Å; T335-E341 HydrophobicContact CG2-CB 3.94Å; T335-E341 HydrophobicContact CG2-CG 3.7Å
336N72.7Confident82.7Confident179 Ų17955.1 Ų55.196%0.95733%0.326SS*.THydrogen-bonded Turntrans-57.6-18.1177.8-68.1-21000114.5S338N336-S338 VanDerWaalsContact C-N 3.34Å
337S66.4Low82.8Confident81 Ų8153.2 Ų53.257%0.56631%0.313SS*.THydrogen-bonded Turntrans-92.612.8175.556.10000113.2T335 A339T335-S337 PolarHBondContact O-N 2.81Å; T335-S337 PolarHBondContact OG1-OG 3.46Å; T335-S337 VanDerWaalsContact OG1-OG 3.08Å; S337-A339 PolarHBondContact O-N 2.04Å; S337-A339 VanDerWaalsContact O-N 3.15Å
338S70.6Confident82.9Confident28 Ų2854 Ų5420%0.19631%0.311CS..SBendtrans58.913.7-172.760.80000115.2C288 D289 T335 N336C288-S338 PolarHBondContact O-OG 3.49Å; D289-S338 WeakPolarHBondContact O-CB 3.27Å; D289-S338 PolarHBondContact O-OG 3.37Å; D289-S338 VanDerWaalsContact O-OG 3.08Å; T335-S338 PolarHBondContact O-N 2.84Å; N336-S338 VanDerWaalsContact C-N 3.34Å
339A76.9Confident82.9Confident44 Ų4453.8 Ų53.836%0.36431%0.309SS..  trans-88.2145.2173.800000111.3T335 S337T335-A339 WeakPolarHBondContact CB-O 3.09Å; T335-A339 PolarHBondContact N-O 2.87Å; T335-A339 PolarHBondContact OG1-N 3.32Å; T335-A339 PolarHBondContact OG1-O 3Å; S337-A339 PolarHBondContact O-N 2.04Å; S337-A339 VanDerWaalsContact O-N 3.15Å
340C85.1Confident82.7Confident51 Ų5156.9 Ų56.935%0.34533%0.326SS..EExtended strand (participates in β ladder)trans-87.9121.8174.8-62.90000111C328 F332 F333C328-C340 VanDerWaalsContact CA-SG 3.52Å; C328-C340 HydrophobicContact CB-CB 3.78Å; C328-C340 WeakPolarHBondContact CB-SG 3.48Å; C328-C340 WeakPolarHBondContact SG-CA 3.46Å; C328-C340 WeakPolarHBondContact SG-CB 3.48Å; C328-C340 CovalentContact SG-SG 2.03Å; C328-C340 PolarHBondContact SG-SG 2.95Å; F332-C340 HydrophobicContact CB-CB 4.23Å; F332-C340 HydrophobicContact CD1-CB 4.46Å; F333-C340 WeakPolarHBondContact O-CA 3.31Å
341E87.2Confident82.4Confident91 Ų9156.3 Ų56.343%0.42532%0.322SS..EExtended strand (participates in β ladder)trans-114.9148.6174.4-71.3-166.9157.900111.1F332 F333 T335F332-E341 CarbonylContact C-O 3.42Å; F332-E341 WeakPolarHBondContact CA-O 3.35Å; F332-E341 WeakPolarHBondContact CB-O 3.29Å; F333-E341 HydrophobicContact CD1-CB 4.32Å; F333-E341 WeakPolarHBondContact CD1-O 3.29Å; F333-E341 HydrophobicContact CE1-CB 3.63Å; F333-E341 HydrophobicContact CZ-CB 3.88Å; F333-E341 PolarHBondContact N-O 3.15Å; F333-E341 PolarHBondContact O-N 3.05Å; F333-E341 VanDerWaalsContact O-N 3.11Å; T335-E341 HydrophobicContact CG2-CB 3.94Å; T335-E341 HydrophobicContact CG2-CG 3.7Å
342P88.6Confident82.3Confident75 Ų7562.1 Ų62.149%0.48735%0.347SS..EExtended strand (participates in β ladder)trans-72.4144-177.229.8-35.1000111.4F332 V530F332-P342 HydrophobicContact CD1-CB 4.13Å; F332-P342 HydrophobicContact CE1-CB 3.97Å; P342-V530 HydrophobicContact CB-CG1 3.49Å; P342-V530 VanDerWaalsContact CB-CG1 3.49Å
343C87.3Confident82.2Confident12 Ų1265 Ų658%0.08137%0.368CS..PPolyproline II helixtrans-68158.1170.4-67.80000112G331 S349 C354G331-C343 WeakPolarHBondContact O-CB 3.49Å; G331-C343 PolarHBondContact O-N 3.35Å; G331-C343 PolarHBondContact O-SG 3.21Å; C343-S349 WeakPolarHBondContact SG-CB 3.08Å; C343-C354 WeakPolarHBondContact CA-SG 3.34Å; C343-C354 HydrophobicContact CB-CB 3.83Å; C343-C354 WeakPolarHBondContact CB-SG 3.33Å; C343-C354 VanDerWaalsContact SG-CA 3.59Å; C343-C354 WeakPolarHBondContact SG-CB 3.37Å; C343-C354 CovalentContact SG-SG 2.04Å; C343-C354 PolarHBondContact SG-SG 3.03Å
344S85.3Confident82.3Confident75 Ų7564.1 Ų64.152%0.52437%0.369SS..PPolyproline II helixtrans-72.8158177.671.60000111.4D346 S347S344-D346 PolarHBondContact O-N 3.36Å; S344-S347 PolarHBondContact N-OG 3.49Å; S344-S347 PolarHBondContact O-N 3.37Å; S344-S347 PolarHBondContact O-OG 2.94Å; S344-S347 PolarHBondContact OG-OG 3.41Å
345N75.7Confident82.6Confident98 Ų9866 Ų6652%0.52437%0.373SS..THydrogen-bonded Turntrans-53.4-19.6-171.9-71.6-7.3000116.2P363N345-P363 WeakPolarHBondContact O-CG 3.49Å
346D78.9Confident83Confident107 Ų10772.8 Ų72.857%0.57240%0.4SS*.THydrogen-bonded Turntrans-107.513.6-177.2-45.8-39.1000112.5S344 C357S344-D346 PolarHBondContact O-N 3.36Å; D346-C357 PolarHBondContact O-N 2.94Å; D346-C357 VanDerWaalsContact O-N 3.1Å
347S85Confident83.5Confident6 Ų665.3 Ų65.34%0.04236%0.362CS..EExtended strand (participates in β ladder)trans-137.1149.2-171.660.80000113.2S344 E355S344-S347 PolarHBondContact N-OG 3.49Å; S344-S347 PolarHBondContact O-N 3.37Å; S344-S347 PolarHBondContact O-OG 2.94Å; S344-S347 PolarHBondContact OG-OG 3.41Å; S347-E355 CarbonylContact C-O 3.45Å; S347-E355 WeakPolarHBondContact CA-O 3.31Å; S347-E355 WeakPolarHBondContact CB-O 3.45Å
348Y88.3Confident84.2Confident61 Ų6165 Ų6524%0.23936%0.358CS..EExtended strand (participates in β ladder)trans-119.3162.1-179.676.9-69.2000110.9C354 E355 A531 C534Y348-C354 CarbonylContact O-C 3.54Å; Y348-C354 WeakPolarHBondContact O-CA 3.07Å; Y348-E355 HydrophobicContact CD1-CB 4.13Å; Y348-E355 VanDerWaalsContact CD1-O 3.23Å; Y348-E355 WeakPolarHBondContact CD1-O 3.37Å; Y348-E355 HydrophobicContact CE1-CB 3.51Å; Y348-E355 PolarHBondContact N-O 2.84Å; Y348-E355 PolarHBondContact O-N 3.5Å; Y348-E355 PolarHBondContact OH-OE2 2.98Å; Y348-A531 VanDerWaalsContact CA-O 3.22Å; Y348-A531 WeakPolarHBondContact CA-O 3.36Å; Y348-C534 WeakPolarHBondContact CD1-SG 3.35Å; Y348-C534 VanDerWaalsContact CG-SG 3.59Å
349S89Confident84.3Confident1 Ų170.1 Ų70.11%0.00739%0.388CS..  trans-153.1140.3176.7170.20000111.9G331 F332 C343 G351 K352 V353 A531G331-S349 PolarHBondContact N-O 2.91Å; F332-S349 WeakPolarHBondContact O-CB 3.45Å; F332-S349 PolarHBondContact O-OG 2.76Å; C343-S349 WeakPolarHBondContact SG-CB 3.08Å; S349-G351 PolarHBondContact O-N 3.45Å; S349-G351 PolarHBondContact OG-N 2.8Å; S349-K352 PolarHBondContact OG-N 3.08Å; S349-V353 WeakPolarHBondContact CB-O 3.49Å; S349-V353 PolarHBondContact OG-O 2.86Å; S349-A531 PolarHBondContact N-O 3.24Å; S349-A531 VanDerWaalsContact N-O 3.15Å
350D85.1Confident83.8Confident85 Ų8568.8 Ų68.846%0.45538%0.379SS..SBendtrans-76.90.7170.878.5-28.5000113.8K352D350-K352 VanDerWaalsContact OD1-CB 3.3Å; D350-K352 WeakPolarHBondContact OD1-CB 3.31Å; D350-K352 WeakPolarHBondContact OD1-CG 3.49Å; D350-K352 PolarHBondContact OD1-N 2.66Å; D350-K352 IonicContact OD2-NZ 2.58Å; D350-K352 PolarHBondContact OD2-NZ 2.95Å
351G83.2Confident83.3Confident0 Ų067.7 Ų67.70%037%0.37CS..SBendtrans109-1.6-17200000114.4C328 F332 S349C328-G351 WeakPolarHBondContact CB-O 3.26Å; C328-G351 PolarHBondContact N-O 3.45Å; C328-G351 WeakPolarHBondContact O-CA 3.45Å; F332-G351 CarbonylContact O-C 3.54Å; F332-G351 WeakPolarHBondContact O-CA 3.25Å; S349-G351 PolarHBondContact O-N 3.45Å; S349-G351 PolarHBondContact OG-N 2.8Å
352K84.8Confident82.7Confident121 Ų12165.7 Ų65.753%0.52636%0.361SS..SBendtrans-106.8-62.2179.2-55.8-174.6-167.589.50113.3P327 F333 V334 S349 D350P327-K352 HydrophobicContact CB-CG 4.43Å; F333-K352 WeakPolarHBondContact CB-O 3.44Å; V334-K352 PolarHBondContact N-O 2.61Å; S349-K352 PolarHBondContact OG-N 3.08Å; D350-K352 VanDerWaalsContact OD1-CB 3.3Å; D350-K352 WeakPolarHBondContact OD1-CB 3.31Å; D350-K352 WeakPolarHBondContact OD1-CG 3.49Å; D350-K352 PolarHBondContact OD1-N 2.66Å; D350-K352 IonicContact OD2-NZ 2.58Å; D350-K352 PolarHBondContact OD2-NZ 2.95Å
353V88.1Confident82.3Confident98 Ų9863 Ų6359%0.59434%0.344SS*.  trans-140.6139.2-169.2-178.70000109.3S349S349-V353 WeakPolarHBondContact CB-O 3.49Å; S349-V353 PolarHBondContact OG-O 2.86Å
354C88.9Confident82.1Confident41 Ų4165 Ų6528%0.27735%0.353SS..  trans-77.9120.4174.1-52.60000111.4F333 C343 Y348F333-C354 WeakPolarHBondContact CD1-SG 3.34Å; C343-C354 WeakPolarHBondContact CA-SG 3.34Å; C343-C354 HydrophobicContact CB-CB 3.83Å; C343-C354 WeakPolarHBondContact CB-SG 3.33Å; C343-C354 VanDerWaalsContact SG-CA 3.59Å; C343-C354 WeakPolarHBondContact SG-CB 3.37Å; C343-C354 CovalentContact SG-SG 2.04Å; C343-C354 PolarHBondContact SG-SG 3.03Å; Y348-C354 CarbonylContact O-C 3.54Å; Y348-C354 WeakPolarHBondContact O-CA 3.07Å
355E88.6Confident82.1Confident111 Ų11162 Ų6252%0.51933%0.331SS..EExtended strand (participates in β ladder)trans-107145.7170.2-69-174.1178.400110.1S347 Y348S347-E355 CarbonylContact C-O 3.45Å; S347-E355 WeakPolarHBondContact CA-O 3.31Å; S347-E355 WeakPolarHBondContact CB-O 3.45Å; Y348-E355 HydrophobicContact CD1-CB 4.13Å; Y348-E355 VanDerWaalsContact CD1-O 3.23Å; Y348-E355 WeakPolarHBondContact CD1-O 3.37Å; Y348-E355 HydrophobicContact CE1-CB 3.51Å; Y348-E355 PolarHBondContact N-O 2.84Å; Y348-E355 PolarHBondContact O-N 3.5Å; Y348-E355 PolarHBondContact OH-OE2 2.98Å
356K87.1Confident82.7Confident163 Ų16357.7 Ų57.771%0.70931%0.31SS*.EExtended strand (participates in β ladder)trans-70.8142.1173.6-74.1-163.3171.6-160.30110.4
357C82.8Confident83.3Confident23 Ų2353.5 Ų53.516%0.15529%0.286CS..PPolyproline II helixtrans-58.2134173.5-74.30000111D346 T361 P363 C534D346-C357 PolarHBondContact O-N 2.94Å; D346-C357 VanDerWaalsContact O-N 3.1Å; C357-T361 WeakPolarHBondContact CB-OG1 3.13Å; C357-P363 VanDerWaalsContact SG-CD 3.54Å; C357-C534 WeakPolarHBondContact CA-SG 3.44Å; C357-C534 HydrophobicContact CB-CB 3.81Å; C357-C534 WeakPolarHBondContact CB-SG 3.25Å; C357-C534 WeakPolarHBondContact SG-CB 3.23Å; C357-C534 CovalentContact SG-SG 2.04Å; C357-C534 PolarHBondContact SG-SG 3.27Å
358P81.7Confident83.6Confident74 Ų7454.5 Ų54.548%0.48129%0.291SS..PPolyproline II helixtrans-56.3152.4175-27.635000113.4G360 T361P358-G360 PolarHBondContact O-N 3.02Å; P358-T361 HydrophobicContact CB-CG2 4.36Å; P358-T361 WeakPolarHBondContact CD-OG1 3.49Å; P358-T361 WeakPolarHBondContact O-CB 3.25Å; P358-T361 PolarHBondContact O-N 2.84Å; P358-T361 PolarHBondContact O-OG1 2.93Å
359V73.3Confident83.8Confident135 Ų13551.8 Ų51.882%0.81828%0.28SS*.THydrogen-bonded Turntrans-57.1128.2176.8-176.10000110
360G65.8Low83.8Confident17 Ų1756.1 Ų56.118%0.17530%0.299CS..THydrogen-bonded Turntrans84.916.4-172.900000115.1P358 R536 C537 V539P358-G360 PolarHBondContact O-N 3.02Å; G360-R536 WeakPolarHBondContact O-CA 3.23Å; G360-C537 PolarHBondContact O-N 2.93Å; G360-C537 VanDerWaalsContact O-N 3.12Å; G360-V539 VanDerWaalsContact CA-CG2 3.48Å
361T74.3Confident83.9Confident27 Ų2756.4 Ų56.417%0.16629%0.293CS..EExtended strand (participates in β ladder)trans-128.8149.7170.268.50000111.9C357 P358 C534 R535 R536 C548C357-T361 WeakPolarHBondContact CB-OG1 3.13Å; P358-T361 HydrophobicContact CB-CG2 4.36Å; P358-T361 WeakPolarHBondContact CD-OG1 3.49Å; P358-T361 WeakPolarHBondContact O-CB 3.25Å; P358-T361 PolarHBondContact O-N 2.84Å; P358-T361 PolarHBondContact O-OG1 2.93Å; T361-C534 WeakPolarHBondContact OG1-CB 2.99Å; T361-R535 CarbonylContact C-O 3.44Å; T361-R535 WeakPolarHBondContact CA-O 3.27Å; T361-R535 WeakPolarHBondContact CB-O 3.32Å; T361-R536 HydrophobicContact CG2-CG 3.88Å; T361-C548 VanDerWaalsContact C-SG 3.58Å
362E74.7Confident84.1Confident50 Ų5056.4 Ų56.423%0.23429%0.293CS..EExtended strand (participates in β ladder)trans-116.1146.2168.353.3176.3175.400111.5L364 C534 R535 C537 C548E362-L364 PolarHBondContact O-N 3.02Å; E362-C534 CarbonylContact O-C 3.54Å; E362-C534 WeakPolarHBondContact O-CA 3.18Å; E362-R535 HydrophobicContact CG-CG 3.83Å; E362-R535 PolarHBondContact N-O 3.43Å; E362-R535 PolarHBondContact O-N 3.41Å; E362-R535 IonicContact OE1-CZ 3.15Å; E362-R535 IonicContact OE1-NE 2.73Å; E362-R535 PolarHBondContact OE1-NE 3.15Å; E362-R535 IonicContact OE1-NH2 2.71Å; E362-R535 PolarHBondContact OE1-NH2 2.86Å; E362-C537 HydrophobicContact CG-CB 4.25Å; E362-C548 HydrophobicContact CB-CB 4.01Å; E362-C548 VanDerWaalsContact CB-SG 3.53Å; E362-C548 HydrophobicContact CG-CB 4.13Å
363P80.9Confident84Confident19 Ų1951.5 Ų51.512%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-66129.8175.716.5-20.8000112.2N345 C357 L365 A531N345-P363 WeakPolarHBondContact O-CG 3.49Å; C357-P363 VanDerWaalsContact SG-CD 3.54Å; P363-L365 HydrophobicContact CB-CD2 4.09Å; P363-L365 HydrophobicContact CG-CD2 4.5Å; P363-L365 PolarHBondContact O-N 2.8Å; P363-A531 HydrophobicContact CB-CB 3.37Å
364L81.9Confident83.8Confident54 Ų5450.3 Ų50.328%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-7790.3171.2-77.2-174.6000110.3E362 G366 A531 E533 R535E362-L364 PolarHBondContact O-N 3.02Å; L364-G366 PolarHBondContact O-N 3.12Å; L364-A531 WeakPolarHBondContact O-CA 3.23Å; L364-E533 HydrophobicContact CB-CG 4.47Å; L364-E533 HydrophobicContact CD1-CG 3.95Å; L364-E533 WeakPolarHBondContact CD1-OE1 3.38Å; L364-E533 PolarHBondContact N-O 2.72Å; L364-R535 HydrophobicContact CD1-CB 4.25Å; L364-R535 HydrophobicContact CD2-CB 4.13Å; L364-R535 HydrophobicContact CD2-CG 3.68Å; L364-R535 HydrophobicContact CG-CB 4.03Å; L364-R535 HydrophobicContact CG-CG 4.03Å
365L85.6Confident83.7Confident11 Ų1151 Ų516%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-69127.6178.5-61.5-158.8000112.3P363 R426 N525 V526 V530 A531P363-L365 HydrophobicContact CB-CD2 4.09Å; P363-L365 HydrophobicContact CG-CD2 4.5Å; P363-L365 PolarHBondContact O-N 2.8Å; L365-R426 VanDerWaalsContact CD1-NH2 3.26Å; L365-N525 CarbonylContact O-C 3.59Å; L365-N525 WeakPolarHBondContact O-CA 3.2Å; L365-N525 PolarHBondContact O-N 2.86Å; L365-V526 PolarHBondContact O-N 2.81Å; L365-V526 VanDerWaalsContact O-N 3.08Å; L365-V530 WeakPolarHBondContact CA-O 3.13Å; L365-A531 HydrophobicContact CD2-CB 4.1Å
366G89.3Confident83.7Confident7 Ų746.5 Ų46.57%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-164.6-160.517700000112.1L364 V523 G529 V530L364-G366 PolarHBondContact O-N 3.12Å; G366-V523 CarbonylContact C-O 3.56Å; G366-V523 WeakPolarHBondContact CA-O 3.22Å; G366-G529 CarbonylContact O-C 3.59Å; G366-G529 VanDerWaalsContact O-CA 3.25Å; G366-G529 WeakPolarHBondContact O-CA 3.34Å; G366-V530 PolarHBondContact N-O 2.9Å; G366-V530 PolarHBondContact O-N 2.03Å
367F91.1Very high83.6Confident19 Ų1950.4 Ų50.48%0.08326%0.257CS..EExtended strand (participates in β ladder)trans-129.1127.2163.5-66.6-49.6000108.9Y369 N378 V422 H522 V523 V526F367-Y369 HydrophobicContact CB-CE1 4.43Å; F367-Y369 HydrophobicContact CB-CE2 3.85Å; F367-Y369 WeakPolarHBondContact CD1-OH 3.43Å; F367-Y369 HydrophobicContact CG-CE2 4.31Å; F367-Y369 AromaticContact CG-CZ 3.95Å; F367-Y369 WeakPolarHBondContact CG-OH 3.38Å; F367-N378 VanDerWaalsContact CE2-ND2 3.29Å; F367-N378 WeakPolarHBondContact CE2-ND2 3.34Å; F367-V422 HydrophobicContact CD2-CG2 4.42Å; F367-V422 HydrophobicContact CE2-CG2 4.47Å; F367-H522 CarbonylContact O-C 3.51Å; F367-H522 VanDerWaalsContact O-CA 3.28Å; F367-H522 WeakPolarHBondContact O-CA 3.38Å; F367-V523 PolarHBondContact N-O 3.22Å; F367-V523 PolarHBondContact O-N 3.02Å; F367-V526 HydrophobicContact CD2-CG1 4.16Å; F367-V526 HydrophobicContact CD2-CG2 4.31Å; F367-V526 HydrophobicContact CE2-CG1 3.66Å; F367-V526 HydrophobicContact CZ-CG1 4.06Å
368E91.6Very high83.8Confident28 Ų2851 Ų5113%0.13126%0.259CS..EExtended strand (participates in β ladder)trans-127.291.1-180-168.5-177.3162.100109.4P330 K370 S532P330-E368 HydrophobicContact CB-CB 4.4Å; P330-E368 HydrophobicContact CG-CG 4.44Å; E368-K370 HydrophobicContact CG-CD 4.37Å; E368-K370 WeakPolarHBondContact OE1-CE 3.38Å; E368-K370 IonicContact OE1-NZ 2.66Å; E368-K370 PolarHBondContact OE1-NZ 2.88Å; E368-S532 WeakPolarHBondContact OE2-CB 3.22Å; E368-S532 PolarHBondContact OE2-OG 3.05Å
369Y92.2Very high84.2Confident3 Ų348.2 Ų48.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-94120.3178.8-54.3-49.5000110N329 F367 W372 P376 N378 L420 S520 I521N329-Y369 HydrophobicContact CB-CD1 4.39Å; F367-Y369 HydrophobicContact CB-CE1 4.43Å; F367-Y369 HydrophobicContact CB-CE2 3.85Å; F367-Y369 WeakPolarHBondContact CD1-OH 3.43Å; F367-Y369 HydrophobicContact CG-CE2 4.31Å; F367-Y369 AromaticContact CG-CZ 3.95Å; F367-Y369 WeakPolarHBondContact CG-OH 3.38Å; Y369-W372 HydrophobicContact CD2-CH2 4.42Å; Y369-W372 HydrophobicContact CG-CH2 4.26Å; Y369-P376 HydrophobicContact CD1-CG 3.85Å; Y369-P376 HydrophobicContact CD2-CG 4.2Å; Y369-P376 HydrophobicContact CE1-CB 3.96Å; Y369-P376 HydrophobicContact CE1-CG 3.78Å; Y369-P376 HydrophobicContact CE2-CB 4.29Å; Y369-P376 HydrophobicContact CE2-CG 4.13Å; Y369-P376 HydrophobicContact CG-CG 4.08Å; Y369-N378 PolarHBondContact OH-ND2 3.1Å; Y369-N378 PolarHBondContact OH-OD1 3.38Å; Y369-L420 HydrophobicContact CE2-CD1 3.92Å; Y369-L420 HydrophobicContact CE2-CD2 4.42Å; Y369-S520 CarbonylContact O-C 3.57Å; Y369-S520 WeakPolarHBondContact O-CA 3.46Å; Y369-S520 WeakPolarHBondContact O-CB 3.47Å; Y369-I521 HydrophobicContact CD2-CB 4.47Å; Y369-I521 PolarHBondContact N-O 3.28Å; Y369-I521 PolarHBondContact O-N 2.91Å
370K88.5Confident84.9Confident93 Ų9345.5 Ų45.540%0.40422%0.218SC..  trans-134.4-35.2-179.4-76.4174.1165.5170.30112.2N329 E368 W372N329-K370 PolarHBondContact OD1-N 3.14Å; E368-K370 HydrophobicContact CG-CD 4.37Å; E368-K370 WeakPolarHBondContact OE1-CE 3.38Å; E368-K370 IonicContact OE1-NZ 2.66Å; E368-K370 PolarHBondContact OE1-NZ 2.88Å; K370-W372 PolarHBondContact O-NE1 2.89Å
371W88.4Confident85.9Confident90 Ų9046 Ų4634%0.34122%0.219SC..  trans-104.7119.7-179.4-50.6123.9000110P326 P327 N329P326-W371 HydrophobicContact CB-CB 4.33Å; P326-W371 HydrophobicContact CB-CD2 3.94Å; P326-W371 HydrophobicContact CB-CE3 4.04Å; P326-W371 HydrophobicContact CB-CG 4.07Å; P326-W371 HydrophobicContact CG-CB 4.14Å; P326-W371 HydrophobicContact CG-CG 4.42Å; P327-W371 VanDerWaalsContact O-CD1 3.25Å; N329-W371 PolarHBondContact ND2-O 3.36Å; N329-W371 PolarHBondContact OD1-N 3.03Å; N329-W371 PolarHBondContact OD1-O 2.79Å
372W87.4Confident86.2Confident0 Ų046.2 Ų46.20%022%0.221CC..BIsolated β-bridgetrans-110.968.4-172.3-56.595.6000110Y369 K370 P376 M379 V399 G401 Y403 I404 Y519 I521Y369-W372 HydrophobicContact CD2-CH2 4.42Å; Y369-W372 HydrophobicContact CG-CH2 4.26Å; K370-W372 PolarHBondContact O-NE1 2.89Å; W372-P376 HydrophobicContact CZ3-CG 4.3Å; W372-M379 HydrophobicContact CH2-CE 4.39Å; W372-M379 HydrophobicContact CH2-SD 4.46Å; W372-M379 HydrophobicContact CZ3-CE 4.48Å; W372-M379 HydrophobicContact CZ3-SD 3.97Å; W372-V399 HydrophobicContact CB-CB 4.44Å; W372-V399 HydrophobicContact CB-CG1 4.28Å; W372-V399 WeakPolarHBondContact O-CB 3.24Å; W372-G401 PolarHBondContact N-O 2.82Å; W372-G401 WeakPolarHBondContact O-CA 3.45Å; W372-G401 PolarHBondContact O-N 3.01Å; W372-Y403 VanDerWaalsContact CD1-CA 3.4Å; W372-I404 HydrophobicContact CB-CG2 4.14Å; W372-I404 HydrophobicContact CD2-CB 4.42Å; W372-I404 HydrophobicContact CD2-CG1 4.2Å; W372-I404 HydrophobicContact CD2-CG2 3.7Å; W372-I404 HydrophobicContact CE3-CB 4.37Å; W372-I404 HydrophobicContact CE3-CD1 4.23Å; W372-I404 HydrophobicContact CE3-CG1 4.2Å; W372-I404 HydrophobicContact CE3-CG2 3.4Å; W372-I404 HydrophobicContact CG-CG2 4.04Å; W372-I404 HydrophobicContact CH2-CD1 3.86Å; W372-I404 HydrophobicContact CH2-CG1 4.28Å; W372-I404 HydrophobicContact CZ2-CD1 4.32Å; W372-I404 HydrophobicContact CZ2-CG1 4.29Å; W372-I404 HydrophobicContact CZ3-CD1 3.81Å; W372-I404 HydrophobicContact CZ3-CG1 4.24Å; W372-I404 HydrophobicContact CZ3-CG2 4.04Å; W372-Y519 PolarHBondContact NE1-O 3.05Å; W372-I521 HydrophobicContact CH2-CD1 3.93Å; W372-I521 HydrophobicContact CH2-CG1 4.2Å; W372-I521 HydrophobicContact CZ2-CD1 4.42Å; W372-I521 HydrophobicContact CZ2-CG1 4.25Å
373T81.4Confident86.4Confident18 Ų1845 Ų4511%0.1122%0.218CC..SBendtrans-89.9-32.5172.749.40000112.4P326P326-T373 HydrophobicContact CG-CG2 3.54Å
374T83.9Confident85.7Confident73 Ų7346.1 Ų46.145%0.44822%0.222SC..SBendtrans-147.2143.617655.40000109.3P287P287-T374 HydrophobicContact CB-CG2 4.28Å; P287-T374 HydrophobicContact CG-CG2 4.46Å
375M87.1Confident84.7Confident56 Ų5645.2 Ų45.228%0.27622%0.216SC..  trans-64.6132.4177.3-170.3137.5-75.600111M379 V399 I404 L418M375-M379 HydrophobicContact CE-SD 4.04Å; M375-M379 HydrophobicContact CG-CB 3.95Å; M375-M379 HydrophobicContact CG-CG 4.1Å; M375-M379 HydrophobicContact CG-SD 4.22Å; M375-M379 HydrophobicContact SD-CG 4.18Å; M375-M379 HydrophobicContact SD-SD 4.33Å; M375-V399 HydrophobicContact CB-CG1 4.5Å; M375-V399 HydrophobicContact CE-CG1 4.38Å; M375-I404 HydrophobicContact CE-CD1 4.49Å; M375-I404 HydrophobicContact CE-CG2 3.77Å; M375-L418 HydrophobicContact CE-CD1 3.91Å; M375-L418 HydrophobicContact SD-CD1 4.08Å
376P88.3Confident83.2Confident17 Ų1747.8 Ų47.811%0.1123%0.228CC..  trans-58.9147.3178.8-2735.8000113.5Y369 W372 N378 M379Y369-P376 HydrophobicContact CD1-CG 3.85Å; Y369-P376 HydrophobicContact CD2-CG 4.2Å; Y369-P376 HydrophobicContact CE1-CB 3.96Å; Y369-P376 HydrophobicContact CE1-CG 3.78Å; Y369-P376 HydrophobicContact CE2-CB 4.29Å; Y369-P376 HydrophobicContact CE2-CG 4.13Å; Y369-P376 HydrophobicContact CG-CG 4.08Å; W372-P376 HydrophobicContact CZ3-CG 4.3Å; P376-N378 WeakPolarHBondContact CB-OD1 3.47Å; P376-N378 PolarHBondContact O-N 2.92Å; P376-N378 VanDerWaalsContact O-N 3.14Å; P376-M379 HydrophobicContact CB-CB 4.18Å; P376-M379 WeakPolarHBondContact O-CB 3.05Å; P376-M379 PolarHBondContact O-N 2.96Å
377R84.9Confident81Confident244 Ų24451 Ų5192%0.92124%0.241SC*.THydrogen-bonded Turntrans-63.9-20.3-175.5-65.5-172.4-174.4175.95.4114.9
378N88.3Confident78.6Confident36 Ų3656 Ų5619%0.19326%0.263CS..THydrogen-bonded Turntrans-94.77.5175.457.8-29.5000113F367 Y369 P376 L420 N421F367-N378 VanDerWaalsContact CE2-ND2 3.29Å; F367-N378 WeakPolarHBondContact CE2-ND2 3.34Å; Y369-N378 PolarHBondContact OH-ND2 3.1Å; Y369-N378 PolarHBondContact OH-OD1 3.38Å; P376-N378 WeakPolarHBondContact CB-OD1 3.47Å; P376-N378 PolarHBondContact O-N 2.92Å; P376-N378 VanDerWaalsContact O-N 3.14Å; N378-L420 HydrophobicContact CB-CD1 4.5Å; N378-L420 WeakPolarHBondContact ND2-CD1 2.99Å; N378-N421 PolarHBondContact O-N 3.07Å
379M89.6Confident75.9Confident16 Ų1657.9 Ų57.98%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-115.4134.4-179.5-164.5174.1-123.500110.9W372 M375 P376 I404 L418 T419 L420 W497 I521W372-M379 HydrophobicContact CH2-CE 4.39Å; W372-M379 HydrophobicContact CH2-SD 4.46Å; W372-M379 HydrophobicContact CZ3-CE 4.48Å; W372-M379 HydrophobicContact CZ3-SD 3.97Å; M375-M379 HydrophobicContact CE-SD 4.04Å; M375-M379 HydrophobicContact CG-CB 3.95Å; M375-M379 HydrophobicContact CG-CG 4.1Å; M375-M379 HydrophobicContact CG-SD 4.22Å; M375-M379 HydrophobicContact SD-CG 4.18Å; M375-M379 HydrophobicContact SD-SD 4.33Å; P376-M379 HydrophobicContact CB-CB 4.18Å; P376-M379 WeakPolarHBondContact O-CB 3.05Å; P376-M379 PolarHBondContact O-N 2.96Å; M379-I404 HydrophobicContact CE-CD1 4.2Å; M379-I404 HydrophobicContact SD-CD1 4.3Å; M379-L418 HydrophobicContact CE-CD1 4.08Å; M379-L418 HydrophobicContact CE-CD2 3.68Å; M379-L418 HydrophobicContact CE-CG 3.9Å; M379-L418 HydrophobicContact CG-CD1 3.82Å; M379-L418 HydrophobicContact CG-CG 4.38Å; M379-L418 HydrophobicContact SD-CD1 3.85Å; M379-L418 HydrophobicContact SD-CD2 4.42Å; M379-L418 HydrophobicContact SD-CG 4.35Å; M379-T419 CarbonylContact C-O 3.57Å; M379-T419 VanDerWaalsContact CA-O 3.23Å; M379-T419 WeakPolarHBondContact CA-O 3.36Å; M379-T419 WeakPolarHBondContact CG-O 3.41Å; M379-L420 HydrophobicContact CE-CB 4.23Å; M379-W497 HydrophobicContact CE-CZ3 4.2Å; M379-I521 HydrophobicContact CE-CD1 3.51Å
380E87.3Confident73.4Confident78 Ų7864.1 Ų64.136%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-124.9140.4-179.4-171.3-175.7179.900109.7L418 T419 K465E380-L418 WeakPolarHBondContact O-CA 3.05Å; E380-T419 PolarHBondContact N-O 2.82Å; E380-T419 PolarHBondContact O-N 2.91Å; E380-K465 IonicContact OE1-NZ 3.17Å; E380-K465 PolarHBondContact OE1-NZ 3.05Å; E380-K465 IonicContact OE2-NZ 2.65Å; E380-K465 PolarHBondContact OE2-NZ 2.91Å
381S87.3Confident71.2Confident28 Ų2864.5 Ų64.520%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-116.3136.8171.8-176.50000110.5A396 W397S381-A396 PolarHBondContact OG-N 2.9Å; S381-A396 VanDerWaalsContact OG-N 3.16Å; S381-W397 PolarHBondContact OG-N 2.86Å
382S81.2Confident69.1Low30 Ų3066.8 Ų66.821%0.2135%0.346CS..EExtended strand (participates in β ladder)trans-151.6131.3-177.557.90000111.6T417S382-T417 PolarHBondContact N-O 2.82Å; S382-T417 WeakPolarHBondContact O-CA 3.36Å; S382-T417 WeakPolarHBondContact O-CB 3.44Å; S382-T417 PolarHBondContact O-N 2.87Å
383V77.8Confident67.4Low26 Ų2678.7 Ų78.716%0.15839%0.391CS..EExtended strand (participates in β ladder)trans-75.4127.1162.9-175.90000108.5R394 A396 D414 L416V383-R394 HydrophobicContact CB-CB 4.13Å; V383-R394 HydrophobicContact CG2-CB 3.63Å; V383-R394 PolarHBondContact N-O 3.46Å; V383-A396 HydrophobicContact CG2-CB 3.72Å; V383-D414 HydrophobicContact CG1-CB 3.91Å; V383-L416 HydrophobicContact CG1-CD2 4.34Å; V383-L416 HydrophobicContact CG2-CD2 4Å
384L66.2Low66.6Low41 Ų4182.5 Ų82.522%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-107.3119169.8-17988.2000107.9T172 Y415T172-L384 HydrophobicContact CG2-CD2 3.98Å; L384-Y415 HydrophobicContact CD2-CD2 4.46Å; L384-Y415 PolarHBondContact N-O 3.01Å; L384-Y415 PolarHBondContact O-N 2.96Å
385H62.3Low65.9Low35 Ų3582.5 Ų82.516%0.16240%0.403CS..  trans-117.8140.6-171.5174.469.9000110.2E387 F388 Q411 D414H385-E387 IonicContact NE2-OE2 3.65Å; H385-E387 PolarHBondContact O-N 2.81Å; H385-F388 AromaticContact CD2-CD2 3.91Å; H385-F388 AromaticContact NE2-CD2 3.86Å; H385-Q411 PolarHBondContact CE1-OE1 3.47Å; H385-D414 IonicContact CE1-OD1 2.8Å; H385-D414 IonicContact CG-OD1 3.28Å; H385-D414 IonicContact ND1-OD1 3.33Å; H385-D414 PolarHBondContact ND1-OD1 3.03Å
386Q52.3Low65.7Low65 Ų6579.8 Ų79.830%0.30439%0.39SS..SBendtrans-72.7-23.1-162.3-168.4165.8-45.900114.7W174W174-Q386 PolarHBondContact NE1-O 3.12Å
387E43.5Very low65.7Low75 Ų7579 Ų7935%0.3539%0.385SS..SBendtrans-103.4-29.9-170.1-58.9173.1155.500113.1R208 H385R208-E387 PolarHBondContact NH1-O 2.81Å; H385-E387 IonicContact NE2-OE2 3.65Å; H385-E387 PolarHBondContact O-N 2.81Å
388F40.8Very low66Low124 Ų12468.5 Ų68.554%0.54435%0.346SS..  trans-119.9122.4-171.5-71.1-89.9000113.9H385 N390H385-F388 AromaticContact CD2-CD2 3.91Å; H385-F388 AromaticContact NE2-CD2 3.86Å; F388-N390 PolarHBondContact O-N 3.05Å
389S36.2Very low66Low67 Ų6767.3 Ų67.347%0.46934%0.34SS..  trans-78-11.2-179.453.50000115.4S391S389-S391 PolarHBondContact O-N 2.81Å
390N37.8Very low65.8Low135 Ų13566.9 Ų66.972%0.72234%0.34SS*.  trans-83.593-177.8-84.2-26.1000112F388 N392F388-N390 PolarHBondContact O-N 3.05Å; N390-N392 PolarHBondContact O-N 3.49Å
391S43.7Very low65.6Low100 Ų10063.9 Ų63.970%0.69933%0.33SS*.  trans-72.754.1-177.549.50000114.9S389 R393S389-S391 PolarHBondContact O-N 2.81Å; S391-R393 PolarHBondContact O-N 2.8Å
392N44.7Very low65.5Low139 Ų13969 Ų6974%0.74335%0.35SS*.  trans-71.884.9176.7-86-19.5000112.5N390 R394N390-N392 PolarHBondContact O-N 3.49Å; N392-R394 PolarHBondContact O-N 3.22Å
393R50.7Low66Low250 Ų25069.3 Ų69.394%0.94335%0.347SS*.  trans34.869.9154.6-65.5-177.8174175.7-1.7116S391S391-R393 PolarHBondContact O-N 2.8Å
394R64.1Low66.7Low97 Ų9768.1 Ų68.137%0.36634%0.34SS..  trans-110.6129.2166-70.1-178.6-179.4155.14.1110.8V383 N392 A396V383-R394 HydrophobicContact CB-CB 4.13Å; V383-R394 HydrophobicContact CG2-CB 3.63Å; V383-R394 PolarHBondContact N-O 3.46Å; N392-R394 PolarHBondContact O-N 3.22Å; R394-A396 PolarHBondContact O-N 3.37Å
395T69Low67.9Low73 Ų7367 Ų6745%0.44833%0.333SS..  trans-73.6100.2177.5450000110.4T407T395-T407 PolarHBondContact O-OG1 2.97Å
396A83.2Confident69.3Low0 Ų065.4 Ų65.40%033%0.326CS..SBendtrans-80.2-23.5177.100000113.4S381 V383 R394 T406 T407 L416S381-A396 PolarHBondContact OG-N 2.9Å; S381-A396 VanDerWaalsContact OG-N 3.16Å; V383-A396 HydrophobicContact CG2-CB 3.72Å; R394-A396 PolarHBondContact O-N 3.37Å; A396-T406 CarbonylContact O-C 3.47Å; A396-T406 VanDerWaalsContact O-CA 3.29Å; A396-T406 WeakPolarHBondContact O-CA 3.47Å; A396-T407 VanDerWaalsContact C-OG1 3.31Å; A396-T407 WeakPolarHBondContact CA-OG1 3.36Å; A396-T407 PolarHBondContact O-N 3.14Å; A396-T407 PolarHBondContact O-OG1 2.05Å; A396-L416 HydrophobicContact CB-CB 4Å; A396-L416 HydrophobicContact CB-CD2 3.84Å
397W89.6Confident70.9Confident1 Ų162.5 Ų62.50%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-136.5136.5-179.3-70.873.7000109.2S381 I404 Y405 T406 L416 L418 F457 W497 A516 I518S381-W397 PolarHBondContact OG-N 2.86Å; W397-I404 HydrophobicContact CE3-CB 4.39Å; W397-I404 HydrophobicContact CE3-CD1 4.35Å; W397-I404 HydrophobicContact CE3-CG1 4.34Å; W397-Y405 CarbonylContact C-O 3.53Å; W397-Y405 VanDerWaalsContact CA-O 3.24Å; W397-Y405 WeakPolarHBondContact CA-O 3.41Å; W397-T406 HydrophobicContact CD2-CG2 3.77Å; W397-T406 HydrophobicContact CE3-CG2 4.16Å; W397-T406 HydrophobicContact CG-CG2 4.39Å; W397-T406 HydrophobicContact CH2-CG2 3.86Å; W397-T406 HydrophobicContact CZ2-CG2 3.43Å; W397-T406 VanDerWaalsContact CZ2-CG2 3.43Å; W397-T406 HydrophobicContact CZ3-CG2 4.2Å; W397-L416 PolarHBondContact NE1-O 3.44Å; W397-L418 HydrophobicContact CB-CD1 4.06Å; W397-L418 HydrophobicContact CD2-CB 3.96Å; W397-L418 HydrophobicContact CD2-CD2 4.11Å; W397-L418 HydrophobicContact CD2-CG 4.45Å; W397-L418 HydrophobicContact CE3-CD2 4.12Å; W397-L418 HydrophobicContact CG-CB 3.89Å; W397-L418 HydrophobicContact CG-CD1 4.16Å; W397-L418 HydrophobicContact CG-CG 4.44Å; W397-L418 HydrophobicContact CZ2-CB 4.45Å; W397-L418 HydrophobicContact CZ3-CD2 4.43Å; W397-F457 AromaticContact CH2-CE2 3.86Å; W397-F457 HydrophobicContact CH2-CE2 3.86Å; W397-F457 HydrophobicContact CH2-CZ 4.32Å; W397-F457 AromaticContact CZ2-CE2 3.93Å; W397-F457 HydrophobicContact CZ2-CE2 3.93Å; W397-W497 HydrophobicContact CZ2-CB 4.42Å; W397-A516 HydrophobicContact CH2-CB 3.77Å; W397-A516 HydrophobicContact CZ2-CB 4.26Å; W397-I518 HydrophobicContact CH2-CD1 3.75Å; W397-I518 HydrophobicContact CH2-CG1 3.93Å; W397-I518 HydrophobicContact CZ3-CD1 3.84Å; W397-I518 HydrophobicContact CZ3-CG1 3.85Å
398E89.6Confident72.4Confident23 Ų2359.9 Ų59.911%0.10730%0.302CS..EExtended strand (participates in β ladder)trans-133159-178.1-172.172.8162.300111.1F282 T284 K299 I404 Y405 T407F282-E398 HydrophobicContact CD2-CB 4.28Å; F282-E398 HydrophobicContact CD2-CG 3.9Å; F282-E398 HydrophobicContact CE2-CB 4.33Å; F282-E398 HydrophobicContact CE2-CG 3.74Å; T284-E398 WeakPolarHBondContact CB-OE1 3.46Å; T284-E398 VanDerWaalsContact OG1-CD 3.31Å; T284-E398 WeakPolarHBondContact OG1-CG 3.33Å; T284-E398 PolarHBondContact OG1-OE1 3.15Å; K299-E398 IonicContact NZ-OE1 3.48Å; K299-E398 PolarHBondContact NZ-OE1 3.14Å; E398-I404 WeakPolarHBondContact O-CA 3.46Å; E398-Y405 HydrophobicContact CB-CE1 4.44Å; E398-Y405 PolarHBondContact N-O 2.92Å; E398-Y405 PolarHBondContact O-N 2.95Å; E398-T407 HydrophobicContact CB-CG2 3.81Å
399V89.5Confident73.6Confident10 Ų1054.1 Ų54.16%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-86123.5-176-72.90000113.6H285 W372 M375 I404H285-V399 PolarHBondContact N-O 3Å; W372-V399 HydrophobicContact CB-CB 4.44Å; W372-V399 HydrophobicContact CB-CG1 4.28Å; W372-V399 WeakPolarHBondContact O-CB 3.24Å; M375-V399 HydrophobicContact CB-CG1 4.5Å; M375-V399 HydrophobicContact CE-CG1 4.38Å; V399-I404 HydrophobicContact CB-CG2 4.47Å; V399-I404 HydrophobicContact CG1-CG2 3.73Å
400A85.9Confident74.8Confident8 Ų852.6 Ų52.67%0.06627%0.265CS..  trans-117.422.5-177.200000113.8Y283 H285 E402 Y403 Y405Y283-A400 HydrophobicContact CE2-CB 3.92Å; H285-A400 PolarHBondContact CE1-O 2.68Å; A400-E402 VanDerWaalsContact C-N 3.35Å; A400-E402 PolarHBondContact O-N 2.81Å; A400-Y403 CarbonylContact C-O 3.47Å; A400-Y403 WeakPolarHBondContact CA-O 3.4Å; A400-Y403 HydrophobicContact CB-CD2 3.78Å; A400-Y403 HydrophobicContact CB-CE2 3.57Å; A400-Y403 HydrophobicContact CB-CG 4.35Å; A400-Y403 WeakPolarHBondContact CB-O 3.18Å; A400-Y403 PolarHBondContact N-O 3.26Å; A400-Y405 HydrophobicContact CB-CD1 3.89Å; A400-Y405 HydrophobicContact CB-CE1 4.22Å
401G81.8Confident76.3Confident15 Ų1549 Ų4916%0.15524%0.244CC..BIsolated β-bridgetrans82.8-69.6175.900000113.2W372W372-G401 PolarHBondContact N-O 2.82Å; W372-G401 WeakPolarHBondContact O-CA 3.45Å; W372-G401 PolarHBondContact O-N 3.01Å
402E85.4Confident77.8Confident135 Ų13544.3 Ų44.363%0.63121%0.211SC*.SBendtrans-87.8-12.6178.6-64.4-168.9152.300113.7A400 Y519A400-E402 VanDerWaalsContact C-N 3.35Å; A400-E402 PolarHBondContact O-N 2.81Å; E402-Y519 WeakPolarHBondContact O-CD1 3.43Å
403Y91.2Very high79Confident37 Ų3738.1 Ų38.115%0.14518%0.178CC..  trans-155.8165.2179.551.7-88.5000110.6Y283 W372 A400 Y405 K517 I518 Y519Y283-Y403 PolarHBondContact OH-OH 2.81Å; W372-Y403 VanDerWaalsContact CD1-CA 3.4Å; A400-Y403 CarbonylContact C-O 3.47Å; A400-Y403 WeakPolarHBondContact CA-O 3.4Å; A400-Y403 HydrophobicContact CB-CD2 3.78Å; A400-Y403 HydrophobicContact CB-CE2 3.57Å; A400-Y403 HydrophobicContact CB-CG 4.35Å; A400-Y403 WeakPolarHBondContact CB-O 3.18Å; A400-Y403 PolarHBondContact N-O 3.26Å; Y403-Y405 HydrophobicContact CE2-CD1 4.36Å; Y403-Y405 HydrophobicContact CE2-CG 4.31Å; Y403-K517 HydrophobicContact CD2-CB 4.06Å; Y403-K517 HydrophobicContact CD2-CD 3.82Å; Y403-K517 HydrophobicContact CD2-CG 3.77Å; Y403-K517 HydrophobicContact CE2-CD 3.69Å; Y403-K517 HydrophobicContact CE2-CG 3.91Å; Y403-K517 HydrophobicContact CG-CB 4.49Å; Y403-K517 HydrophobicContact CG-CD 4.34Å; Y403-I518 WeakPolarHBondContact CA-O 3.37Å; Y403-I518 WeakPolarHBondContact CB-O 3.39Å; Y403-Y519 HydrophobicContact CD1-CD1 4.16Å; Y403-Y519 AromaticContact CD1-CE1 3.62Å; Y403-Y519 HydrophobicContact CD1-CE1 3.62Å; Y403-Y519 HydrophobicContact CE1-CE1 4.45Å; Y403-Y519 HydrophobicContact CG-CD1 4.39Å; Y403-Y519 HydrophobicContact CG-CE1 4.12Å
404I92.9Very high80.2Confident0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-99147.9156.745.3173.1000109.1W372 M375 M379 W397 E398 V399 L418 K517 I518W372-I404 HydrophobicContact CB-CG2 4.14Å; W372-I404 HydrophobicContact CD2-CB 4.42Å; W372-I404 HydrophobicContact CD2-CG1 4.2Å; W372-I404 HydrophobicContact CD2-CG2 3.7Å; W372-I404 HydrophobicContact CE3-CB 4.37Å; W372-I404 HydrophobicContact CE3-CD1 4.23Å; W372-I404 HydrophobicContact CE3-CG1 4.2Å; W372-I404 HydrophobicContact CE3-CG2 3.4Å; W372-I404 HydrophobicContact CG-CG2 4.04Å; W372-I404 HydrophobicContact CH2-CD1 3.86Å; W372-I404 HydrophobicContact CH2-CG1 4.28Å; W372-I404 HydrophobicContact CZ2-CD1 4.32Å; W372-I404 HydrophobicContact CZ2-CG1 4.29Å; W372-I404 HydrophobicContact CZ3-CD1 3.81Å; W372-I404 HydrophobicContact CZ3-CG1 4.24Å; W372-I404 HydrophobicContact CZ3-CG2 4.04Å; M375-I404 HydrophobicContact CE-CD1 4.49Å; M375-I404 HydrophobicContact CE-CG2 3.77Å; M379-I404 HydrophobicContact CE-CD1 4.2Å; M379-I404 HydrophobicContact SD-CD1 4.3Å; W397-I404 HydrophobicContact CE3-CB 4.39Å; W397-I404 HydrophobicContact CE3-CD1 4.35Å; W397-I404 HydrophobicContact CE3-CG1 4.34Å; E398-I404 WeakPolarHBondContact O-CA 3.46Å; V399-I404 HydrophobicContact CB-CG2 4.47Å; V399-I404 HydrophobicContact CG1-CG2 3.73Å; I404-L418 HydrophobicContact CD1-CD1 4.39Å; I404-L418 HydrophobicContact CD1-CD2 3.41Å; I404-L418 VanDerWaalsContact CD1-CD2 3.41Å; I404-K517 CarbonylContact O-C 3.52Å; I404-K517 VanDerWaalsContact O-CA 3.25Å; I404-K517 WeakPolarHBondContact O-CA 3.26Å; I404-I518 HydrophobicContact CD1-CB 4.25Å; I404-I518 HydrophobicContact CG1-CB 3.94Å; I404-I518 WeakPolarHBondContact CG1-O 3.33Å; I404-I518 PolarHBondContact N-O 2.73Å; I404-I518 PolarHBondContact O-N 3.31Å
405Y92.4Very high81Confident19 Ų1923.9 Ų23.98%0.07513%0.125CC..EExtended strand (participates in β ladder)trans-140.6154.7-18082.3-71.7000112.7Y283 W397 E398 A400 Y403 A516Y283-Y405 WeakPolarHBondContact CD1-OH 3.43Å; Y283-Y405 HydrophobicContact CD2-CE1 4.39Å; Y283-Y405 HydrophobicContact CE1-CE1 4.29Å; Y283-Y405 HydrophobicContact CE1-CE2 4.18Å; Y283-Y405 AromaticContact CE1-CZ 3.71Å; Y283-Y405 WeakPolarHBondContact CE1-OH 3.35Å; Y283-Y405 AromaticContact CE2-CE1 3.97Å; Y283-Y405 HydrophobicContact CE2-CE1 3.97Å; Y283-Y405 AromaticContact CZ-CE1 3.89Å; Y283-Y405 AromaticContact CZ-CZ 3.76Å; Y283-Y405 PolarHBondContact N-OH 2.65Å; Y283-Y405 PolarHBondContact O-OH 3.07Å; W397-Y405 CarbonylContact C-O 3.53Å; W397-Y405 VanDerWaalsContact CA-O 3.24Å; W397-Y405 WeakPolarHBondContact CA-O 3.41Å; E398-Y405 HydrophobicContact CB-CE1 4.44Å; E398-Y405 PolarHBondContact N-O 2.92Å; E398-Y405 PolarHBondContact O-N 2.95Å; A400-Y405 HydrophobicContact CB-CD1 3.89Å; A400-Y405 HydrophobicContact CB-CE1 4.22Å; Y403-Y405 HydrophobicContact CE2-CD1 4.36Å; Y403-Y405 HydrophobicContact CE2-CG 4.31Å; Y405-A516 WeakPolarHBondContact CA-O 3.25Å
406T90.9Very high81.8Confident1 Ų120.4 Ų20.41%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-69.5125.8173.352.60000111.1A396 W397 L416 F499 A515 A516A396-T406 CarbonylContact O-C 3.47Å; A396-T406 VanDerWaalsContact O-CA 3.29Å; A396-T406 WeakPolarHBondContact O-CA 3.47Å; W397-T406 HydrophobicContact CD2-CG2 3.77Å; W397-T406 HydrophobicContact CE3-CG2 4.16Å; W397-T406 HydrophobicContact CG-CG2 4.39Å; W397-T406 HydrophobicContact CH2-CG2 3.86Å; W397-T406 HydrophobicContact CZ2-CG2 3.43Å; W397-T406 VanDerWaalsContact CZ2-CG2 3.43Å; W397-T406 HydrophobicContact CZ3-CG2 4.2Å; T406-L416 HydrophobicContact CG2-CB 4.16Å; T406-L416 HydrophobicContact CG2-CD1 4.21Å; T406-F499 HydrophobicContact CG2-CB 3.71Å; T406-F499 HydrophobicContact CG2-CD1 3.8Å; T406-F499 HydrophobicContact CG2-CG 4.05Å; T406-A515 WeakPolarHBondContact OG1-CA 3.48Å; T406-A515 WeakPolarHBondContact OG1-CB 3.23Å; T406-A516 HydrophobicContact CG2-CB 3.99Å; T406-A516 PolarHBondContact N-O 3.03Å; T406-A516 PolarHBondContact OG1-N 3.17Å; T406-A516 PolarHBondContact OG1-O 3.13Å
407T86.1Confident82Confident4 Ų421.1 Ų21.13%0.02511%0.108CC..PPolyproline II helixtrans-68.6164.1172.452.40000111.1F282 T395 A396 E398 G409 L416 R501F282-T407 HydrophobicContact CB-CG2 4.26Å; F282-T407 HydrophobicContact CD2-CG2 4.03Å; F282-T407 HydrophobicContact CG-CG2 4.1Å; T395-T407 PolarHBondContact O-OG1 2.97Å; A396-T407 VanDerWaalsContact C-OG1 3.31Å; A396-T407 WeakPolarHBondContact CA-OG1 3.36Å; A396-T407 PolarHBondContact O-N 3.14Å; A396-T407 PolarHBondContact O-OG1 2.05Å; E398-T407 HydrophobicContact CB-CG2 3.81Å; T407-G409 PolarHBondContact O-N 2.82Å; T407-L416 WeakPolarHBondContact O-CD1 3.36Å; T407-R501 PolarHBondContact O-NH1 2.94Å; T407-R501 PolarHBondContact O-NH2 2.88Å
408S75.1Confident82Confident20 Ų2021 Ų2114%0.1411%0.108CC..PPolyproline II helixtrans-64.9129.3168.1-54.20000108.9S512S408-S512 PolarHBondContact OG-O 3.47Å
409G65.3Low82Confident2 Ų220 Ų202%0.02110%0.103CC..  trans-76.9178.8-174.200000112.3T407T407-G409 PolarHBondContact O-N 2.82Å
410V62.6Low82.1Confident36 Ų3619.5 Ų19.522%0.21810%0.1CC..SBendtrans-81.1-38169.61790000109.5D414 R509V410-D414 WeakPolarHBondContact CA-OD2 3.4Å; V410-D414 PolarHBondContact N-OD2 3.33Å; V410-R509 PolarHBondContact O-NE 3.27Å; V410-R509 PolarHBondContact O-NH2 2.82Å
411Q69.2Low82.3Confident58 Ų5822 Ų2227%0.27111%0.113SC..SBendtrans-122.3160.4165.4-60.6-179.5-200110.4H385 T413 D414H385-Q411 PolarHBondContact CE1-OE1 3.47Å; Q411-T413 VanDerWaalsContact C-N 3.29Å; Q411-T413 WeakPolarHBondContact CB-OG1 3.39Å; Q411-T413 PolarHBondContact OE1-OG1 3.28Å; Q411-T413 VanDerWaalsContact OE1-OG1 3.06Å; Q411-D414 PolarHBondContact N-OD2 2.9Å; Q411-D414 WeakPolarHBondContact O-CB 3.37Å; Q411-D414 PolarHBondContact O-N 2.84Å
412D73.8Confident82.7Confident2 Ų221.3 Ų21.31%0.01111%0.105CC..THydrogen-bonded Turntrans-79.6-13.9176.1-72.8-26.2000113R501 T502 R509 N510 F511 S512D412-R501 HydrophobicContact CB-CB 4.14Å; D412-R501 WeakPolarHBondContact O-CB 3.16Å; D412-R501 PolarHBondContact O-N 3.16Å; D412-R501 VanDerWaalsContact OD1-CD 3.25Å; D412-R501 WeakPolarHBondContact OD1-CD 3.25Å; D412-T502 HydrophobicContact CB-CG2 4.01Å; D412-T502 PolarHBondContact O-N 2.92Å; D412-R509 VanDerWaalsContact OD2-CA 3.28Å; D412-R509 WeakPolarHBondContact OD2-CA 3.44Å; D412-N510 PolarHBondContact OD2-N 3Å; D412-F511 PolarHBondContact OD2-N 2.84Å; D412-S512 PolarHBondContact OD1-N 3.2Å
413T71.5Confident82.7Confident9 Ų918.6 Ų18.66%0.05510%0.1CC..THydrogen-bonded Turntrans-79.8-14.7170.244.30000114.2Q411 Y415 Q500 T502 E504 I505Q411-T413 VanDerWaalsContact C-N 3.29Å; Q411-T413 WeakPolarHBondContact CB-OG1 3.39Å; Q411-T413 PolarHBondContact OE1-OG1 3.28Å; Q411-T413 VanDerWaalsContact OE1-OG1 3.06Å; T413-Y415 PolarHBondContact O-N 2.81Å; T413-Q500 PolarHBondContact O-NE2 2.66Å; T413-T502 HydrophobicContact CG2-CG2 4.36Å; T413-E504 VanDerWaalsContact CG2-O 3.31Å; T413-E504 WeakPolarHBondContact CG2-O 3.3Å; T413-I505 HydrophobicContact CG2-CG1 4.2Å
414D75.9Confident82.4Confident4 Ų416.9 Ų16.92%0.0219%0.093CC..  trans-58.7133.7-177.9-77.4-25.7000111.5V383 H385 V410 Q411 L416V383-D414 HydrophobicContact CG1-CB 3.91Å; H385-D414 IonicContact CE1-OD1 2.8Å; H385-D414 IonicContact CG-OD1 3.28Å; H385-D414 IonicContact ND1-OD1 3.33Å; H385-D414 PolarHBondContact ND1-OD1 3.03Å; V410-D414 WeakPolarHBondContact CA-OD2 3.4Å; V410-D414 PolarHBondContact N-OD2 3.33Å; Q411-D414 PolarHBondContact N-OD2 2.9Å; Q411-D414 WeakPolarHBondContact O-CB 3.37Å; Q411-D414 PolarHBondContact O-N 2.84Å; D414-L416 HydrophobicContact CB-CD2 4.35Å; D414-L416 PolarHBondContact O-N 2.98Å
415Y79.9Confident82Confident44 Ų4417 Ų1717%0.1739%0.093CC..EExtended strand (participates in β ladder)trans-83.4106.2172.9-68.4-82.7000109.6L384 T413 T417 Y458 T498 Q500L384-Y415 HydrophobicContact CD2-CD2 4.46Å; L384-Y415 PolarHBondContact N-O 3.01Å; L384-Y415 PolarHBondContact O-N 2.96Å; T413-Y415 PolarHBondContact O-N 2.81Å; Y415-T417 PolarHBondContact O-N 3.04Å; Y415-Y458 HydrophobicContact CE1-CE2 4.3Å; Y415-T498 HydrophobicContact CD1-CG2 3.76Å; Y415-T498 HydrophobicContact CG-CG2 4.19Å; Y415-Q500 HydrophobicContact CD1-CB 4.08Å; Y415-Q500 HydrophobicContact CD1-CG 4.45Å; Y415-Q500 HydrophobicContact CE1-CB 4.18Å; Y415-Q500 VanDerWaalsContact CE1-CD 3.47Å; Y415-Q500 HydrophobicContact CE1-CG 4.26Å; Y415-Q500 VanDerWaalsContact CZ-NE2 3.32Å; Y415-Q500 PolarHBondContact OH-NE2 3.15Å
416L86.4Confident81.1Confident1 Ų121 Ų211%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-85.996.6-178.1-59.3-179.9000109.9V383 A396 W397 T406 T407 D414 T498 F499V383-L416 HydrophobicContact CG1-CD2 4.34Å; V383-L416 HydrophobicContact CG2-CD2 4Å; A396-L416 HydrophobicContact CB-CB 4Å; A396-L416 HydrophobicContact CB-CD2 3.84Å; W397-L416 PolarHBondContact NE1-O 3.44Å; T406-L416 HydrophobicContact CG2-CB 4.16Å; T406-L416 HydrophobicContact CG2-CD1 4.21Å; T407-L416 WeakPolarHBondContact O-CD1 3.36Å; D414-L416 HydrophobicContact CB-CD2 4.35Å; D414-L416 PolarHBondContact O-N 2.98Å; L416-T498 WeakPolarHBondContact O-CA 3.4Å; L416-F499 HydrophobicContact CB-CB 4.43Å; L416-F499 HydrophobicContact CD1-CD1 4.36Å; L416-F499 PolarHBondContact N-O 3Å; L416-F499 PolarHBondContact O-N 2.95Å
417T86.2Confident79.9Confident14 Ų1429.4 Ų29.49%0.08614%0.14CC..EExtended strand (participates in β ladder)trans-101.4139.9-169.2-59.90000112.5S382 Y415 T496 W497 T498S382-T417 PolarHBondContact N-O 2.82Å; S382-T417 WeakPolarHBondContact O-CA 3.36Å; S382-T417 WeakPolarHBondContact O-CB 3.44Å; S382-T417 PolarHBondContact O-N 2.87Å; Y415-T417 PolarHBondContact O-N 3.04Å; T417-T496 HydrophobicContact CG2-CG2 3.46Å; T417-T496 VanDerWaalsContact CG2-CG2 3.46Å; T417-W497 WeakPolarHBondContact CA-O 3.32Å; T417-T498 PolarHBondContact OG1-OG1 2.96Å
418L90.9Very high78.4Confident0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-129.2125.7174.217975.9000108.1M375 M379 E380 W397 I404 T496 W497 I518M375-L418 HydrophobicContact CE-CD1 3.91Å; M375-L418 HydrophobicContact SD-CD1 4.08Å; M379-L418 HydrophobicContact CE-CD1 4.08Å; M379-L418 HydrophobicContact CE-CD2 3.68Å; M379-L418 HydrophobicContact CE-CG 3.9Å; M379-L418 HydrophobicContact CG-CD1 3.82Å; M379-L418 HydrophobicContact CG-CG 4.38Å; M379-L418 HydrophobicContact SD-CD1 3.85Å; M379-L418 HydrophobicContact SD-CD2 4.42Å; M379-L418 HydrophobicContact SD-CG 4.35Å; E380-L418 WeakPolarHBondContact O-CA 3.05Å; W397-L418 HydrophobicContact CB-CD1 4.06Å; W397-L418 HydrophobicContact CD2-CB 3.96Å; W397-L418 HydrophobicContact CD2-CD2 4.11Å; W397-L418 HydrophobicContact CD2-CG 4.45Å; W397-L418 HydrophobicContact CE3-CD2 4.12Å; W397-L418 HydrophobicContact CG-CB 3.89Å; W397-L418 HydrophobicContact CG-CD1 4.16Å; W397-L418 HydrophobicContact CG-CG 4.44Å; W397-L418 HydrophobicContact CZ2-CB 4.45Å; W397-L418 HydrophobicContact CZ3-CD2 4.43Å; I404-L418 HydrophobicContact CD1-CD1 4.39Å; I404-L418 HydrophobicContact CD1-CD2 3.41Å; I404-L418 VanDerWaalsContact CD1-CD2 3.41Å; L418-T496 CarbonylContact O-C 3.56Å; L418-T496 WeakPolarHBondContact O-CA 3.28Å; L418-W497 HydrophobicContact CB-CB 4.47Å; L418-W497 HydrophobicContact CD2-CE3 3.96Å; L418-W497 HydrophobicContact CG-CE3 4.28Å; L418-W497 PolarHBondContact N-O 2.93Å; L418-W497 PolarHBondContact O-N 2.85Å; L418-I518 HydrophobicContact CD2-CD1 3.89Å
419T88.8Confident76.6Confident1 Ų140.2 Ų40.21%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-119.8133.9179.9-630000110.8M379 E380 K465 S494 F495 T496M379-T419 CarbonylContact C-O 3.57Å; M379-T419 VanDerWaalsContact CA-O 3.23Å; M379-T419 WeakPolarHBondContact CA-O 3.36Å; M379-T419 WeakPolarHBondContact CG-O 3.41Å; E380-T419 PolarHBondContact N-O 2.82Å; E380-T419 PolarHBondContact O-N 2.91Å; T419-K465 HydrophobicContact CG2-CB 4.09Å; T419-S494 WeakPolarHBondContact CG2-OG 3.49Å; T419-F495 CarbonylContact C-O 3.55Å; T419-F495 WeakPolarHBondContact CA-O 3.29Å; T419-T496 PolarHBondContact OG1-OG1 2.73Å
420L92.3Very high75.2Confident0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-113.6118.2168.8172.964.4000109.1Y369 N378 M379 V422 F495 W497 I521 V523Y369-L420 HydrophobicContact CE2-CD1 3.92Å; Y369-L420 HydrophobicContact CE2-CD2 4.42Å; N378-L420 HydrophobicContact CB-CD1 4.5Å; N378-L420 WeakPolarHBondContact ND2-CD1 2.99Å; M379-L420 HydrophobicContact CE-CB 4.23Å; L420-V422 HydrophobicContact CG-CG2 4.27Å; L420-F495 HydrophobicContact CB-CB 4.36Å; L420-F495 HydrophobicContact CD2-CD2 4.5Å; L420-F495 PolarHBondContact N-O 2.93Å; L420-F495 PolarHBondContact O-N 3.11Å; L420-W497 HydrophobicContact CB-CH2 4.13Å; L420-W497 HydrophobicContact CB-CZ3 3.72Å; L420-W497 HydrophobicContact CD2-CH2 4.15Å; L420-I521 HydrophobicContact CD2-CG2 4.03Å; L420-V523 HydrophobicContact CD2-CG2 4.14Å
421N90Very high73.9Confident61 Ų6149.9 Ų49.933%0.32626%0.264SS..EExtended strand (participates in β ladder)trans-93128.6177.4-65.4-67000110.7N378N378-N421 PolarHBondContact O-N 3.07Å
422V90.3Very high72.2Confident0 Ų054.4 Ų54.40%029%0.29CS..EExtended strand (participates in β ladder)trans-120.1120.5176.9-179.20000109.1F367 L420 G424 Y425 T492 V493 F495 V526F367-V422 HydrophobicContact CD2-CG2 4.42Å; F367-V422 HydrophobicContact CE2-CG2 4.47Å; L420-V422 HydrophobicContact CG-CG2 4.27Å; V422-G424 PolarHBondContact O-N 3.08Å; V422-Y425 HydrophobicContact CG1-CE1 3.72Å; V422-Y425 HydrophobicContact CG1-CE2 4.38Å; V422-T492 WeakPolarHBondContact O-CA 3.24Å; V422-T492 WeakPolarHBondContact O-CG2 3.42Å; V422-V493 PolarHBondContact N-O 2.84Å; V422-V493 PolarHBondContact O-N 3.34Å; V422-F495 HydrophobicContact CB-CE2 4.27Å; V422-F495 HydrophobicContact CG2-CD2 3.89Å; V422-F495 HydrophobicContact CG2-CE2 3.75Å; V422-V526 HydrophobicContact CG1-CB 4.43Å; V422-V526 HydrophobicContact CG1-CG1 3.7Å; V422-V526 HydrophobicContact CG1-CG2 3.92Å
423P84.4Confident70.5Confident78 Ų7864.3 Ų64.351%0.50633%0.333SS..  trans-76.1-4.3-166.832.5-39000114.8I527P423-I527 VanDerWaalsContact CG-O 3.24Å; P423-I527 WeakPolarHBondContact CG-O 3.48Å
424G84.8Confident69Low1 Ų167.5 Ų67.51%0.0135%0.35CS..  trans138.9177.5-179.900000112.8V422 I527V422-G424 PolarHBondContact O-N 3.08Å; G424-I527 PolarHBondContact O-N 2.83Å
425Y85.6Confident67.3Low2 Ų275.4 Ų75.41%0.00839%0.392CS..BIsolated β-bridgetrans-131.7141.5-169.9-53.5-84.7000111.4V422 R427 L440 S441 I487 V493 F495 V523 N525 V526V422-Y425 HydrophobicContact CG1-CE1 3.72Å; V422-Y425 HydrophobicContact CG1-CE2 4.38Å; Y425-R427 PolarHBondContact O-N 3.35Å; Y425-L440 HydrophobicContact CG-CD2 4.47Å; Y425-S441 WeakPolarHBondContact CD1-OG 3.46Å; Y425-S441 VanDerWaalsContact CE1-OG 3.22Å; Y425-S441 WeakPolarHBondContact CE1-OG 3.31Å; Y425-I487 HydrophobicContact CD2-CG2 4.01Å; Y425-I487 HydrophobicContact CE2-CG2 3.71Å; Y425-V493 HydrophobicContact CE2-CB 4.13Å; Y425-V493 HydrophobicContact CE2-CG2 3.88Å; Y425-F495 VanDerWaalsContact OH-CE2 3.23Å; Y425-F495 WeakPolarHBondContact OH-CE2 3.44Å; Y425-F495 VanDerWaalsContact OH-CZ 3.28Å; Y425-F495 WeakPolarHBondContact OH-CZ 3.37Å; Y425-V523 HydrophobicContact CE1-CG1 4.05Å; Y425-N525 VanDerWaalsContact CA-O 3.32Å; Y425-N525 WeakPolarHBondContact CA-O 3.44Å; Y425-V526 HydrophobicContact CD1-CG2 4.36Å; Y425-V526 HydrophobicContact CE1-CG2 4.18Å
426R73.9Confident65.6Low102 Ų10277.5 Ų77.539%0.38540%0.402SS..PPolyproline II helixtrans-71124.6-177.5-67.1176.4161.9-175.3-5.1109.9L365 N525 I527L365-R426 VanDerWaalsContact CD1-NH2 3.26Å; R426-N525 WeakPolarHBondContact CB-OD1 3.48Å; R426-N525 PolarHBondContact N-O 2.9Å; R426-N525 VanDerWaalsContact N-O 3.14Å; R426-N525 PolarHBondContact O-ND2 2.89Å; R426-I527 HydrophobicContact CG-CG1 3.92Å
427R64.3Low64Low178 Ų17882.5 Ų82.567%0.67243%0.427SS*.PPolyproline II helixtrans-72.6145.8165.9-67.5-175.1-179.9177.5-0.9109.9Y425 N490Y425-R427 PolarHBondContact O-N 3.35Å; R427-N490 HydrophobicContact CG-CB 4.17Å; R427-N490 VanDerWaalsContact CZ-OD1 3.24Å; R427-N490 PolarHBondContact NE-OD1 3.15Å; R427-N490 PolarHBondContact NH2-OD1 3Å
428A54.3Low62.4Low87 Ų8785 Ų8572%0.71945%0.445SS*.PPolyproline II helixtrans-60.7155.1157.800000109.9
429Q38.7Very low61Low165 Ų16588 Ų8877%0.77146%0.459SS*.PPolyproline II helixtrans-64.5135.6176.1-72.8-175.8-12.900110.3T431Q429-T431 PolarHBondContact O-N 2.74Å; Q429-T431 VanDerWaalsContact O-N 3.15Å
430P35.2Very low60.4Low122 Ų12289 Ų8979%0.79246%0.464SS*.  trans-79.8101.4-169.530.6-35000112.2D432P430-D432 PolarHBondContact O-N 2.72Å
431T34.9Very low59.9Low119 Ų11989 Ų8973%0.7346%0.464SS*.  trans-86.599.5157.154.30000109.3Q429Q429-T431 PolarHBondContact O-N 2.74Å; Q429-T431 VanDerWaalsContact O-N 3.15Å
432D35.1Very low59.7Low152 Ų15290 Ų9081%0.81346%0.463SS*.SBendtrans67.1165.7175.5-89.9-53000119.3P430 D434P430-D432 PolarHBondContact O-N 2.72Å; D432-D434 VanDerWaalsContact C-N 3.3Å; D432-D434 PolarHBondContact O-N 3.41Å; D432-D434 VanDerWaalsContact O-N 3.14Å
433K38.1Very low59.8Low210 Ų21090 Ų9091%0.91346%0.463SS*.SBendtrans-83.129.9-162.2-64-178.9175.9176.90115.6N435K433-N435 PolarHBondContact O-N 3.03Å
434D39.1Very low60.1Low77 Ų7788 Ų8841%0.41245%0.45SS..  trans-87.8103.3179.4-122-41.9000111D432 K436D432-D434 VanDerWaalsContact C-N 3.3Å; D432-D434 PolarHBondContact O-N 3.41Å; D432-D434 VanDerWaalsContact O-N 3.14Å; D434-K436 PolarHBondContact O-N 2.83Å
435N39.9Very low60.6Low169 Ų16988 Ų8890%0.90445%0.45SS*.  trans-78.551.7-178.5-167.752.1000111.7K433K433-N435 PolarHBondContact O-N 3.03Å
436K44.8Very low61.1Low88 Ų8890.6 Ų90.638%0.38346%0.463SS..  trans-98.5149.2-174.2-81.8-176.9176.3177.10113.2D434 S438D434-K436 PolarHBondContact O-N 2.83Å; K436-S438 PolarHBondContact O-N 2.9Å
437M51.8Low62.1Low106 Ų10685.8 Ų85.852%0.52245%0.445SS..  trans-81.578.2-163.6-148.5149.175.700112Q488M437-Q488 HydrophobicContact CG-CB 3.97Å; M437-Q488 HydrophobicContact CG-CG 3.76Å; M437-Q488 HydrophobicContact SD-CB 4.48Å; M437-Q488 HydrophobicContact SD-CG 4.32Å; M437-Q488 PolarHBondContact SD-OE1 3.49Å; M437-Q488 VanDerWaalsContact SD-OE1 3.35Å
438S52.2Low63.5Low67 Ų6778.6 Ų78.647%0.46942%0.419SS..  trans-79148.7168.449.80000111.3K436 L440K436-S438 PolarHBondContact O-N 2.9Å; S438-L440 PolarHBondContact O-N 3.24Å
439E63Low65.4Low62 Ų6274.5 Ų74.529%0.2939%0.385SS..  trans-61.5105.1171.2173.3172.6176.200109R442 L486E439-R442 IonicContact OE1-CZ 2.62Å; E439-R442 IonicContact OE1-NE 3.91Å; E439-R442 PolarHBondContact OE1-NE 2.98Å; E439-R442 IonicContact OE1-NH2 2.8Å; E439-R442 PolarHBondContact OE1-NH2 2.88Å; E439-R442 IonicContact OE2-CZ 3.68Å; E439-R442 IonicContact OE2-NH2 3.57Å; E439-R442 PolarHBondContact OE2-NH2 3.4Å; E439-L486 HydrophobicContact CB-CD2 4.27Å; E439-L486 VanDerWaalsContact CD-CD2 3.48Å; E439-L486 HydrophobicContact CG-CD2 3.64Å
440L75.3Confident67.8Low22 Ų2269.3 Ų69.312%0.11536%0.362CS..  trans-86.8-37.1-177.1-169.875.5000111.3Y425 S438 I487 S489 N490 N525Y425-L440 HydrophobicContact CG-CD2 4.47Å; S438-L440 PolarHBondContact O-N 3.24Å; L440-I487 WeakPolarHBondContact CB-O 3.34Å; L440-I487 PolarHBondContact N-O 3.12Å; L440-I487 VanDerWaalsContact N-O 3.13Å; L440-S489 WeakPolarHBondContact CD2-O 3.18Å; L440-N490 VanDerWaalsContact CD2-CA 3.4Å; L440-N490 HydrophobicContact CD2-CB 3.59Å; L440-N525 WeakPolarHBondContact O-CB 3.45Å; L440-N525 PolarHBondContact O-ND2 2.96Å
441S82.6Confident70.4Confident1 Ų164.3 Ų64.31%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-157.7162.5174.3170.90000110Y425 I487 T524Y425-S441 WeakPolarHBondContact CD1-OG 3.46Å; Y425-S441 VanDerWaalsContact CE1-OG 3.22Å; Y425-S441 WeakPolarHBondContact CE1-OG 3.31Å; S441-I487 PolarHBondContact N-O 2.04Å; S441-I487 PolarHBondContact O-N 3.44Å; S441-T524 VanDerWaalsContact CB-O 3.28Å; S441-T524 WeakPolarHBondContact CB-O 3.19Å; S441-T524 PolarHBondContact OG-O 2.79Å
442R86.1Confident72.7Confident83 Ų8363.6 Ų63.631%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-132135.2173.4-173.2179.8-63.2-104.54.9109.1E439 Y485 V523 T524E439-R442 IonicContact OE1-CZ 2.62Å; E439-R442 IonicContact OE1-NE 3.91Å; E439-R442 PolarHBondContact OE1-NE 2.98Å; E439-R442 IonicContact OE1-NH2 2.8Å; E439-R442 PolarHBondContact OE1-NH2 2.88Å; E439-R442 IonicContact OE2-CZ 3.68Å; E439-R442 IonicContact OE2-NH2 3.57Å; E439-R442 PolarHBondContact OE2-NH2 3.4Å; R442-Y485 WeakPolarHBondContact CA-O 3.38Å; R442-V523 WeakPolarHBondContact O-CA 3.42Å; R442-T524 PolarHBondContact N-OG1 2.97Å; R442-T524 PolarHBondContact O-N 2.71Å; R442-T524 PolarHBondContact O-OG1 3.19Å
443I91.6Very high74.6Confident0 Ų057.2 Ų57.20%029%0.294CS..EExtended strand (participates in β ladder)trans-101.5135.6162.9-177.1165.2000109.2F459 S484 Y485 I487 F495 W497 I521 H522 V523I443-F459 HydrophobicContact CD1-CZ 4.45Å; I443-F459 HydrophobicContact CG2-CZ 4Å; I443-S484 CarbonylContact O-C 3.51Å; I443-S484 WeakPolarHBondContact O-CA 3.34Å; I443-Y485 HydrophobicContact CG2-CD1 4.06Å; I443-Y485 HydrophobicContact CG2-CG 4.44Å; I443-Y485 PolarHBondContact N-O 2.75Å; I443-Y485 PolarHBondContact O-N 3.43Å; I443-I487 HydrophobicContact CB-CD1 4.29Å; I443-I487 HydrophobicContact CG2-CD1 4.06Å; I443-F495 HydrophobicContact CB-CE1 4.15Å; I443-F495 HydrophobicContact CB-CZ 4.12Å; I443-F495 HydrophobicContact CD1-CB 4.03Å; I443-F495 HydrophobicContact CD1-CD1 3.69Å; I443-F495 HydrophobicContact CD1-CD2 3.72Å; I443-F495 HydrophobicContact CD1-CE1 4.04Å; I443-F495 HydrophobicContact CD1-CE2 4.03Å; I443-F495 HydrophobicContact CD1-CG 3.52Å; I443-F495 HydrophobicContact CD1-CZ 4.18Å; I443-F495 HydrophobicContact CG2-CD1 4.1Å; I443-F495 HydrophobicContact CG2-CE1 3.61Å; I443-F495 HydrophobicContact CG2-CZ 4.04Å; I443-W497 HydrophobicContact CD1-CH2 3.9Å; I443-W497 HydrophobicContact CD1-CZ2 3.84Å; I443-I521 HydrophobicContact CD1-CG2 4.11Å; I443-I521 HydrophobicContact CG1-CG2 4.34Å; I443-H522 CarbonylContact C-O 3.55Å; I443-H522 WeakPolarHBondContact CA-O 3.32Å; I443-V523 HydrophobicContact CB-CG2 4.3Å; I443-V523 HydrophobicContact CD1-CG2 3.91Å; I443-V523 HydrophobicContact CG1-CG2 3.92Å
444T91.1Very high76.6Confident36 Ų3653.8 Ų53.822%0.22129%0.285CS..EExtended strand (participates in β ladder)trans-132.4131.1174.6-63.60000108.4Y483 S484 H522T444-Y483 WeakPolarHBondContact CA-O 3.48Å; T444-S484 WeakPolarHBondContact CB-OG 3.29Å; T444-S484 WeakPolarHBondContact CG2-OG 3.35Å; T444-S484 PolarHBondContact OG1-OG 2.69Å; T444-H522 PolarHBondContact N-O 2.68Å; T444-H522 PolarHBondContact O-N 2.87Å
445F95.1Very high78.8Confident1 Ų150.1 Ų50.10%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-137149.5175.161.6-92.1000112.4F447 F457 F459 W474 S482 Y483 W497 I518 S520 I521F445-F447 HydrophobicContact CD2-CB 4.34Å; F445-F447 AromaticContact CD2-CD1 3.76Å; F445-F447 HydrophobicContact CD2-CD1 3.76Å; F445-F447 HydrophobicContact CD2-CG 4.38Å; F445-F447 AromaticContact CE2-CD1 3.56Å; F445-F447 HydrophobicContact CE2-CD1 3.56Å; F445-F447 AromaticContact CE2-CE1 3.98Å; F445-F447 HydrophobicContact CE2-CE1 3.98Å; F445-F447 HydrophobicContact CE2-CG 4.24Å; F445-F457 HydrophobicContact CE2-CE1 4.41Å; F445-F459 HydrophobicContact CD1-CE2 4.34Å; F445-F459 HydrophobicContact CE1-CD1 4.02Å; F445-F459 AromaticContact CE1-CD2 3.59Å; F445-F459 HydrophobicContact CE1-CD2 3.59Å; F445-F459 HydrophobicContact CE1-CE1 4.06Å; F445-F459 AromaticContact CE1-CE2 3.62Å; F445-F459 HydrophobicContact CE1-CE2 3.62Å; F445-F459 AromaticContact CE1-CG 3.79Å; F445-F459 HydrophobicContact CE1-CG 3.79Å; F445-F459 AromaticContact CE1-CZ 3.86Å; F445-F459 HydrophobicContact CE1-CZ 3.86Å; F445-F459 HydrophobicContact CZ-CB 4.02Å; F445-F459 HydrophobicContact CZ-CD1 4.25Å; F445-F459 AromaticContact CZ-CD2 3.82Å; F445-F459 HydrophobicContact CZ-CD2 3.82Å; F445-F459 HydrophobicContact CZ-CE2 4.33Å; F445-F459 AromaticContact CZ-CG 3.77Å; F445-F459 HydrophobicContact CZ-CG 3.77Å; F445-W474 HydrophobicContact CE2-CH2 4.34Å; F445-W474 AromaticContact CZ-CH2 3.9Å; F445-W474 HydrophobicContact CZ-CH2 3.9Å; F445-W474 HydrophobicContact CZ-CZ3 4.41Å; F445-S482 WeakPolarHBondContact O-CA 3.35Å; F445-Y483 AromaticContact CE1-CD1 3.73Å; F445-Y483 HydrophobicContact CE1-CD1 3.73Å; F445-Y483 AromaticContact CZ-CD1 3.78Å; F445-Y483 HydrophobicContact CZ-CD1 3.78Å; F445-Y483 HydrophobicContact CZ-CG 4.28Å; F445-Y483 PolarHBondContact N-O 3.18Å; F445-Y483 PolarHBondContact O-N 2.77Å; F445-W497 AromaticContact CD1-CE2 4Å; F445-W497 AromaticContact CD1-CZ2 3.85Å; F445-W497 HydrophobicContact CD1-CZ2 3.85Å; F445-W497 AromaticContact CD1-NE1 3.5Å; F445-W497 AromaticContact CD2-NE1 3.54Å; F445-W497 HydrophobicContact CE1-CZ2 4.26Å; F445-W497 AromaticContact CE1-NE1 3.31Å; F445-W497 VanDerWaalsContact CE1-NE1 3.31Å; F445-W497 AromaticContact CE2-CD1 3.86Å; F445-W497 AromaticContact CE2-NE1 3.36Å; F445-W497 HydrophobicContact CG-CZ2 4.22Å; F445-W497 AromaticContact CG-NE1 3.62Å; F445-W497 AromaticContact CZ-CD1 3.86Å; F445-W497 AromaticContact CZ-NE1 3.24Å; F445-I518 HydrophobicContact CB-CG2 4.44Å; F445-S520 CarbonylContact C-O 3.52Å; F445-S520 WeakPolarHBondContact CA-O 3.32Å; F445-S520 WeakPolarHBondContact CB-O 3.33Å; F445-I521 HydrophobicContact CB-CG1 4.11Å
446I95.1Very high81.1Confident55 Ų5543.8 Ų43.828%0.28223%0.23SC..EExtended strand (participates in β ladder)trans-112.5124.3178.9-57.5-179000108.6K480 Q481 I518 Y519 S520I446-K480 HydrophobicContact CG2-CD 4.47Å; I446-K480 HydrophobicContact CG2-CG 3.85Å; I446-Q481 WeakPolarHBondContact CA-O 3.24Å; I446-I518 CarbonylContact O-C 3.51Å; I446-I518 WeakPolarHBondContact O-CA 3.25Å; I446-Y519 HydrophobicContact CG2-CD2 4.43Å; I446-Y519 PolarHBondContact O-N 3.48Å; I446-S520 PolarHBondContact N-O 2.91Å
447F95.4Very high83.3Confident1 Ų139.6 Ų39.60%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-141.8162.5-174.776.6-81000112.4F445 T449 F457 W474 K480 Q481 K517 I518F445-F447 HydrophobicContact CD2-CB 4.34Å; F445-F447 AromaticContact CD2-CD1 3.76Å; F445-F447 HydrophobicContact CD2-CD1 3.76Å; F445-F447 HydrophobicContact CD2-CG 4.38Å; F445-F447 AromaticContact CE2-CD1 3.56Å; F445-F447 HydrophobicContact CE2-CD1 3.56Å; F445-F447 AromaticContact CE2-CE1 3.98Å; F445-F447 HydrophobicContact CE2-CE1 3.98Å; F445-F447 HydrophobicContact CE2-CG 4.24Å; F447-T449 HydrophobicContact CD2-CG2 4.25Å; F447-T449 HydrophobicContact CE2-CG2 4.24Å; F447-F457 HydrophobicContact CB-CE1 4.27Å; F447-F457 HydrophobicContact CD1-CE1 4.4Å; F447-F457 AromaticContact CD2-CD1 3.66Å; F447-F457 HydrophobicContact CD2-CD1 3.66Å; F447-F457 AromaticContact CD2-CE1 3.45Å; F447-F457 HydrophobicContact CD2-CE1 3.45Å; F447-F457 VanDerWaalsContact CD2-CE1 3.45Å; F447-F457 HydrophobicContact CD2-CZ 4.49Å; F447-F457 AromaticContact CE2-CD1 3.6Å; F447-F457 HydrophobicContact CE2-CD1 3.6Å; F447-F457 AromaticContact CE2-CE1 3.8Å; F447-F457 HydrophobicContact CE2-CE1 3.8Å; F447-F457 HydrophobicContact CG-CD1 4.42Å; F447-F457 AromaticContact CG-CE1 3.79Å; F447-F457 HydrophobicContact CG-CE1 3.79Å; F447-F457 HydrophobicContact CZ-CD1 4.31Å; F447-F457 HydrophobicContact CZ-CE1 4.4Å; F447-W474 HydrophobicContact CE1-CD2 4.35Å; F447-W474 AromaticContact CE1-CE2 3.99Å; F447-W474 HydrophobicContact CE1-CH2 4.43Å; F447-W474 HydrophobicContact CE1-CZ2 4.04Å; F447-W474 HydrophobicContact CE2-CD2 4.05Å; F447-W474 HydrophobicContact CE2-CE3 4.36Å; F447-W474 HydrophobicContact CE2-CG 4.11Å; F447-W474 AromaticContact CZ-CD1 3.84Å; F447-W474 AromaticContact CZ-CD2 3.49Å; F447-W474 HydrophobicContact CZ-CD2 3.49Å; F447-W474 VanDerWaalsContact CZ-CD2 3.49Å; F447-W474 AromaticContact CZ-CE2 3.47Å; F447-W474 VanDerWaalsContact CZ-CE2 3.47Å; F447-W474 HydrophobicContact CZ-CE3 4.02Å; F447-W474 AromaticContact CZ-CG 3.76Å; F447-W474 HydrophobicContact CZ-CG 3.76Å; F447-W474 HydrophobicContact CZ-CH2 4.45Å; F447-W474 AromaticContact CZ-CZ2 3.98Å; F447-W474 HydrophobicContact CZ-CZ2 3.98Å; F447-W474 HydrophobicContact CZ-CZ3 4.46Å; F447-W474 AromaticContact CZ-NE1 3.67Å; F447-K480 VanDerWaalsContact O-CA 3.31Å; F447-K480 WeakPolarHBondContact O-CA 3.43Å; F447-Q481 HydrophobicContact CD1-CG 4.28Å; F447-Q481 HydrophobicContact CE1-CG 3.68Å; F447-Q481 HydrophobicContact CE2-CG 4.41Å; F447-Q481 HydrophobicContact CZ-CG 3.75Å; F447-Q481 PolarHBondContact N-O 3.45Å; F447-Q481 PolarHBondContact O-N 3.24Å; F447-K517 CarbonylContact C-O 3.59Å; F447-K517 WeakPolarHBondContact CA-O 3.39Å; F447-K517 VanDerWaalsContact CB-O 3.23Å; F447-K517 WeakPolarHBondContact CB-O 3.44Å; F447-I518 HydrophobicContact CB-CG1 4.16Å
448E95.1Very high85Confident28 Ų2836 Ų3613%0.13119%0.193CC..EExtended strand (participates in β ladder)trans-134.3154.5164.169-179.4-150.300109.9K480 K517 Y519E448-K480 HydrophobicContact CB-CB 4.33Å; E448-K517 HydrophobicContact CG-CB 4.06Å; E448-K517 HydrophobicContact CG-CD 3.89Å; E448-K517 HydrophobicContact CG-CG 4.44Å; E448-K517 PolarHBondContact N-O 2.92Å; E448-K517 PolarHBondContact O-N 3.31Å; E448-K517 VanDerWaalsContact OE1-CD 3.29Å; E448-K517 WeakPolarHBondContact OE1-CD 2.97Å; E448-K517 WeakPolarHBondContact OE1-CE 3.5Å; E448-K517 IonicContact OE1-NZ 2.68Å; E448-K517 PolarHBondContact OE1-NZ 2.81Å; E448-Y519 HydrophobicContact CB-CE2 4.47Å; E448-Y519 HydrophobicContact CG-CE2 3.89Å; E448-Y519 PolarHBondContact OE1-OH 3.4Å; E448-Y519 PolarHBondContact OE2-OH 2.9Å
449T92.8Very high86.8Confident1 Ų132.8 Ų32.81%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-120.8121.3168.463.60000109.6F447 F457 G476 R477 N478 F499 A516F447-T449 HydrophobicContact CD2-CG2 4.25Å; F447-T449 HydrophobicContact CE2-CG2 4.24Å; T449-F457 HydrophobicContact CG2-CB 3.79Å; T449-F457 HydrophobicContact CG2-CD1 4.13Å; T449-F457 HydrophobicContact CG2-CG 4.03Å; T449-G476 PolarHBondContact OG1-O 3.34Å; T449-R477 WeakPolarHBondContact O-CA 3.48Å; T449-R477 WeakPolarHBondContact O-CG 3.22Å; T449-N478 PolarHBondContact N-O 3.14Å; T449-N478 PolarHBondContact O-N 2.88Å; T449-N478 WeakPolarHBondContact OG1-CB 3.2Å; T449-N478 PolarHBondContact OG1-N 2.77Å; T449-N478 PolarHBondContact OG1-ND2 2.97Å; T449-F499 HydrophobicContact CG2-CE2 4.44Å; T449-A516 HydrophobicContact CG2-CB 4.26Å
450L90.5Very high87.9Confident56 Ų5631.6 Ų31.629%0.29317%0.166SC..EExtended strand (participates in β ladder)trans-98.6112.1174.3-62-179.5000107.3D514 A515L450-D514 CarbonylContact O-C 3.47Å; L450-D514 VanDerWaalsContact O-CA 3.24Å; L450-D514 WeakPolarHBondContact O-CA 3.37Å; L450-A515 PolarHBondContact N-O 2.9Å; L450-A515 PolarHBondContact O-N 3.41Å
451C88.3Confident88.2Confident16 Ų1630.8 Ų30.811%0.10816%0.162CC..  trans-140.1143.8-173.6-72.60000112.8C455 R477 D514C451-C455 HydrophobicContact CB-CB 3.9Å; C451-C455 WeakPolarHBondContact CB-SG 3.29Å; C451-C455 WeakPolarHBondContact SG-CB 3.5Å; C451-C455 CovalentContact SG-SG 2.03Å; C451-C455 PolarHBondContact SG-SG 2.95Å; C451-R477 HydrophobicContact CB-CB 4.29Å; C451-D514 VanDerWaalsContact CA-CG 3.48Å; C451-D514 WeakPolarHBondContact CA-OD2 3.39Å
452T84.3Confident87.7Confident104 Ų10431.2 Ų31.264%0.63817%0.167SC*.SBendtrans-113.1-25.617157.50000111D514T452-D514 WeakPolarHBondContact CB-OD1 3.45Å; T452-D514 PolarHBondContact N-OD1 2.8Å; T452-D514 PolarHBondContact N-OD2 3.24Å; T452-D514 VanDerWaalsContact OG1-CG 3.32Å; T452-D514 PolarHBondContact OG1-OD1 2.03Å; T452-D514 PolarHBondContact OG1-OD2 3.4Å
453A75.1Confident86.7Confident18 Ų1834.2 Ų34.215%0.14918%0.179CC..SBendtrans-101.2179.6170.500000113.5C455 F511 D514A453-C455 PolarHBondContact O-N 3.43Å; A453-F511 HydrophobicContact CB-CB 4.31Å; A453-F511 HydrophobicContact CB-CD1 3.64Å; A453-F511 HydrophobicContact CB-CD2 3.95Å; A453-F511 HydrophobicContact CB-CE1 3.87Å; A453-F511 HydrophobicContact CB-CE2 4.15Å; A453-F511 HydrophobicContact CB-CG 3.67Å; A453-F511 HydrophobicContact CB-CZ 4.11Å; A453-D514 PolarHBondContact N-OD2 3.25Å
454D78.9Confident85.3Confident138 Ų13836.9 Ų36.974%0.73819%0.193SC*.  trans-74.251.9172.5-79.8-30.5000112.7
455C86.4Confident83.6Confident1 Ų138 Ų381%0.00720%0.195CC..  trans-48.9153.3174.5-61.40000112.8C451 A453 K475 G476 F499 Q500 R501 D514C451-C455 HydrophobicContact CB-CB 3.9Å; C451-C455 WeakPolarHBondContact CB-SG 3.29Å; C451-C455 WeakPolarHBondContact SG-CB 3.5Å; C451-C455 CovalentContact SG-SG 2.03Å; C451-C455 PolarHBondContact SG-SG 2.95Å; A453-C455 PolarHBondContact O-N 3.43Å; C455-K475 CarbonylContact O-C 3.57Å; C455-K475 VanDerWaalsContact O-CA 3.32Å; C455-K475 WeakPolarHBondContact O-CA 3.47Å; C455-G476 PolarHBondContact O-N 3.13Å; C455-F499 HydrophobicContact CB-CE2 3.77Å; C455-F499 HydrophobicContact CB-CZ 4.03Å; C455-F499 VanDerWaalsContact SG-CZ 3.59Å; C455-Q500 CarbonylContact C-O 3.58Å; C455-Q500 VanDerWaalsContact CA-O 3.32Å; C455-Q500 WeakPolarHBondContact CA-O 3.07Å; C455-R501 VanDerWaalsContact CA-O 3.32Å; C455-R501 WeakPolarHBondContact CA-O 3.43Å; C455-R501 PolarHBondContact N-O 3.2Å; C455-D514 PolarHBondContact SG-OD2 2.92Å; C455-D514 VanDerWaalsContact SG-OD2 3.35Å
456K87.6Confident81.6Confident35 Ų3543.5 Ų43.515%0.15222%0.216CC..EExtended strand (participates in β ladder)trans-129.2124.8169.8-56.1-174.4-172.8-1770110Y458 W474 Q500 E503K456-Y458 HydrophobicContact CB-CD2 4.35Å; K456-Y458 HydrophobicContact CB-CE1 4.35Å; K456-Y458 HydrophobicContact CB-CE2 3.55Å; K456-Y458 WeakPolarHBondContact CD-OH 3.45Å; K456-W474 WeakPolarHBondContact CA-O 3.5Å; K456-Q500 PolarHBondContact N-O 2.87Å; K456-Q500 PolarHBondContact O-N 2.72Å; K456-E503 IonicContact NZ-OE1 3.3Å; K456-E503 PolarHBondContact NZ-OE1 3.42Å; K456-E503 IonicContact NZ-OE2 2.72Å; K456-E503 PolarHBondContact NZ-OE2 3.25Å
457F90.4Very high79.5Confident1 Ų144.9 Ų44.90%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-110.4129.8170.8-174.9-125.8000108.5W397 F445 F447 T449 Q473 W474 W497 T498 F499 A516 I518W397-F457 AromaticContact CH2-CE2 3.86Å; W397-F457 HydrophobicContact CH2-CE2 3.86Å; W397-F457 HydrophobicContact CH2-CZ 4.32Å; W397-F457 AromaticContact CZ2-CE2 3.93Å; W397-F457 HydrophobicContact CZ2-CE2 3.93Å; F445-F457 HydrophobicContact CE2-CE1 4.41Å; F447-F457 HydrophobicContact CB-CE1 4.27Å; F447-F457 HydrophobicContact CD1-CE1 4.4Å; F447-F457 AromaticContact CD2-CD1 3.66Å; F447-F457 HydrophobicContact CD2-CD1 3.66Å; F447-F457 AromaticContact CD2-CE1 3.45Å; F447-F457 HydrophobicContact CD2-CE1 3.45Å; F447-F457 VanDerWaalsContact CD2-CE1 3.45Å; F447-F457 HydrophobicContact CD2-CZ 4.49Å; F447-F457 AromaticContact CE2-CD1 3.6Å; F447-F457 HydrophobicContact CE2-CD1 3.6Å; F447-F457 AromaticContact CE2-CE1 3.8Å; F447-F457 HydrophobicContact CE2-CE1 3.8Å; F447-F457 HydrophobicContact CG-CD1 4.42Å; F447-F457 AromaticContact CG-CE1 3.79Å; F447-F457 HydrophobicContact CG-CE1 3.79Å; F447-F457 HydrophobicContact CZ-CD1 4.31Å; F447-F457 HydrophobicContact CZ-CE1 4.4Å; T449-F457 HydrophobicContact CG2-CB 3.79Å; T449-F457 HydrophobicContact CG2-CD1 4.13Å; T449-F457 HydrophobicContact CG2-CG 4.03Å; F457-Q473 CarbonylContact O-C 3.54Å; F457-Q473 WeakPolarHBondContact O-CA 3.36Å; F457-W474 HydrophobicContact CB-CB 4.45Å; F457-W474 HydrophobicContact CB-CE3 4.45Å; F457-W474 HydrophobicContact CD1-CD2 4.33Å; F457-W474 AromaticContact CD1-CE3 3.51Å; F457-W474 HydrophobicContact CD1-CE3 3.51Å; F457-W474 AromaticContact CD1-CZ3 3.98Å; F457-W474 HydrophobicContact CD1-CZ3 3.98Å; F457-W474 HydrophobicContact CE1-CE3 4.16Å; F457-W474 HydrophobicContact CE1-CZ3 4.2Å; F457-W474 HydrophobicContact CG-CE3 4.29Å; F457-W474 PolarHBondContact N-O 3.48Å; F457-W474 PolarHBondContact O-N 3.16Å; F457-W497 HydrophobicContact CE2-CB 3.95Å; F457-W497 HydrophobicContact CZ-CB 4.02Å; F457-W497 AromaticContact CZ-CD1 3.63Å; F457-W497 HydrophobicContact CZ-CG 4.16Å; F457-T498 WeakPolarHBondContact CA-O 3.39Å; F457-T498 WeakPolarHBondContact CD2-O 3.47Å; F457-F499 HydrophobicContact CB-CD2 4.06Å; F457-F499 HydrophobicContact CD2-CB 4.06Å; F457-F499 HydrophobicContact CD2-CD2 4.15Å; F457-A516 HydrophobicContact CD2-CB 3.78Å; F457-A516 HydrophobicContact CE2-CB 3.84Å; F457-A516 HydrophobicContact CG-CB 4.4Å; F457-I518 HydrophobicContact CZ-CD1 4.26Å; F457-I518 HydrophobicContact CZ-CG1 4.35Å
458Y88.2Confident77.9Confident29 Ų2946 Ų4611%0.11423%0.23CC..EExtended strand (participates in β ladder)trans-122138.9-172.7-58.4-82.4000110Y415 K456 L470 Q473 W497 T498Y415-Y458 HydrophobicContact CE1-CE2 4.3Å; K456-Y458 HydrophobicContact CB-CD2 4.35Å; K456-Y458 HydrophobicContact CB-CE1 4.35Å; K456-Y458 HydrophobicContact CB-CE2 3.55Å; K456-Y458 WeakPolarHBondContact CD-OH 3.45Å; Y458-L470 HydrophobicContact CD1-CD1 3.74Å; Y458-L470 HydrophobicContact CD1-CD2 4.39Å; Y458-L470 HydrophobicContact CG-CD1 4.38Å; Y458-Q473 HydrophobicContact CD1-CB 4.02Å; Y458-Q473 HydrophobicContact CE1-CB 4.33Å; Y458-W497 WeakPolarHBondContact O-CA 3.28Å; Y458-T498 PolarHBondContact N-O 3.36Å; Y458-T498 PolarHBondContact O-N 2.99Å
459F90.8Very high76.4Confident0 Ų049.6 Ų49.60%024%0.243CC..EExtended strand (participates in β ladder)trans-115.2120.8165.8176.6-116.9000109.1I443 F445 V461 V471 E472 W474 Y483 Y485 F495 W497I443-F459 HydrophobicContact CD1-CZ 4.45Å; I443-F459 HydrophobicContact CG2-CZ 4Å; F445-F459 HydrophobicContact CD1-CE2 4.34Å; F445-F459 HydrophobicContact CE1-CD1 4.02Å; F445-F459 AromaticContact CE1-CD2 3.59Å; F445-F459 HydrophobicContact CE1-CD2 3.59Å; F445-F459 HydrophobicContact CE1-CE1 4.06Å; F445-F459 AromaticContact CE1-CE2 3.62Å; F445-F459 HydrophobicContact CE1-CE2 3.62Å; F445-F459 AromaticContact CE1-CG 3.79Å; F445-F459 HydrophobicContact CE1-CG 3.79Å; F445-F459 AromaticContact CE1-CZ 3.86Å; F445-F459 HydrophobicContact CE1-CZ 3.86Å; F445-F459 HydrophobicContact CZ-CB 4.02Å; F445-F459 HydrophobicContact CZ-CD1 4.25Å; F445-F459 AromaticContact CZ-CD2 3.82Å; F445-F459 HydrophobicContact CZ-CD2 3.82Å; F445-F459 HydrophobicContact CZ-CE2 4.33Å; F445-F459 AromaticContact CZ-CG 3.77Å; F445-F459 HydrophobicContact CZ-CG 3.77Å; F459-V461 HydrophobicContact CD1-CG2 4.33Å; F459-V461 HydrophobicContact CE1-CG2 3.61Å; F459-V461 HydrophobicContact CE2-CG2 4.31Å; F459-V461 HydrophobicContact CZ-CG2 3.61Å; F459-V471 HydrophobicContact CD1-CB 3.92Å; F459-V471 HydrophobicContact CD1-CG1 3.86Å; F459-V471 HydrophobicContact CE1-CB 4.31Å; F459-V471 HydrophobicContact CE1-CG1 4.08Å; F459-V471 PolarHBondContact O-N 3.35Å; F459-E472 PolarHBondContact N-O 2.81Å; F459-E472 PolarHBondContact O-N 2.88Å; F459-W474 HydrophobicContact CB-CH2 3.83Å; F459-W474 HydrophobicContact CB-CZ3 3.67Å; F459-Y483 HydrophobicContact CD1-CD1 4.19Å; F459-Y483 AromaticContact CD1-CE1 3.77Å; F459-Y483 HydrophobicContact CD1-CE1 3.77Å; F459-Y483 HydrophobicContact CE1-CD1 4.44Å; F459-Y483 HydrophobicContact CE1-CE1 4.02Å; F459-Y485 HydrophobicContact CE1-CD1 4.4Å; F459-Y485 HydrophobicContact CE1-CG 4.13Å; F459-F495 HydrophobicContact CE2-CB 4.24Å; F459-F495 HydrophobicContact CE2-CD1 4.1Å; F459-F495 AromaticContact CZ-CD1 3.78Å; F459-F495 HydrophobicContact CZ-CD1 3.78Å; F459-F495 HydrophobicContact CZ-CE1 4.42Å; F459-W497 AromaticContact CD2-CD1 3.74Å; F459-W497 HydrophobicContact CD2-CD2 4.34Å; F459-W497 AromaticContact CD2-CE2 3.79Å; F459-W497 HydrophobicContact CD2-CG 4.31Å; F459-W497 HydrophobicContact CD2-CZ2 4.3Å; F459-W497 AromaticContact CD2-NE1 3.4Å; F459-W497 AromaticContact CE2-CE2 3.8Å; F459-W497 AromaticContact CE2-CZ2 3.83Å; F459-W497 HydrophobicContact CE2-CZ2 3.83Å; F459-W497 AromaticContact CE2-NE1 3.81Å
460L84.3Confident75.5Confident37 Ų3753.2 Ų53.219%0.19426%0.262CS..EExtended strand (participates in β ladder)trans-122.2148.8-177.8-47.193.5000110.2N468 Y469 L470 T496L460-N468 HydrophobicContact CB-CB 3.94Å; L460-Y469 VanDerWaalsContact CA-O 3.24Å; L460-Y469 WeakPolarHBondContact CA-O 3.45Å; L460-Y469 WeakPolarHBondContact CB-O 3.44Å; L460-L470 HydrophobicContact CG-CD1 4.25Å; L460-T496 HydrophobicContact CD1-CG2 4.35Å; L460-T496 PolarHBondContact N-O 3.16Å; L460-T496 PolarHBondContact O-N 3.22Å
461V83.5Confident74.9Confident6 Ų652.1 Ų52.14%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-136.1141.9-177.2-175.60000109.6F459 N468 Y469 V471 Y485 V493 S494 F495F459-V461 HydrophobicContact CD1-CG2 4.33Å; F459-V461 HydrophobicContact CE1-CG2 3.61Å; F459-V461 HydrophobicContact CE2-CG2 4.31Å; F459-V461 HydrophobicContact CZ-CG2 3.61Å; V461-N468 WeakPolarHBondContact O-CA 3.06Å; V461-Y469 PolarHBondContact N-O 2.89Å; V461-Y469 WeakPolarHBondContact O-CD1 3.5Å; V461-Y469 WeakPolarHBondContact O-CE1 3.38Å; V461-Y469 PolarHBondContact O-N 3.12Å; V461-V471 HydrophobicContact CB-CG2 3.83Å; V461-V471 HydrophobicContact CG2-CB 4.33Å; V461-V471 HydrophobicContact CG2-CG2 3.56Å; V461-Y485 HydrophobicContact CB-CE1 4.36Å; V461-Y485 HydrophobicContact CG1-CE1 3.95Å; V461-Y485 HydrophobicContact CG2-CD1 4.09Å; V461-Y485 HydrophobicContact CG2-CE1 4.02Å; V461-V493 HydrophobicContact CG1-CG1 3.65Å; V461-S494 WeakPolarHBondContact CA-O 3.32Å; V461-F495 HydrophobicContact CG1-CD1 4.18Å; V461-F495 HydrophobicContact CG1-CE1 4.01Å; V461-F495 HydrophobicContact CG2-CD1 3.92Å; V461-F495 HydrophobicContact CG2-CE1 4.21Å
462G72.2Confident74.6Confident10 Ų1052.4 Ų52.410%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-174.3-169.6-17400000114.6N467 N468 V493 S494G462-N467 CarbonylContact C-O 3.59Å; G462-N467 WeakPolarHBondContact CA-O 3.37Å; G462-N468 VanDerWaalsContact CA-OD1 3.24Å; G462-N468 WeakPolarHBondContact CA-OD1 3.41Å; G462-N468 PolarHBondContact N-OD1 3.35Å; G462-V493 CarbonylContact O-C 3.58Å; G462-V493 VanDerWaalsContact O-CA 3.3Å; G462-V493 WeakPolarHBondContact O-CA 3.39Å; G462-S494 PolarHBondContact N-O 2.89Å; G462-S494 VanDerWaalsContact N-O 3.1Å; G462-S494 PolarHBondContact O-N 2.82Å
463Y63.1Low74.6Confident145 Ų14550.4 Ų50.457%0.56924%0.241SC*.SBendtrans-83.3-30.1179.4-177.5-110.6000112.5N467Y463-N467 PolarHBondContact N-O 2.88Å
464N64Low75.2Confident56 Ų5650.3 Ų50.330%0.29924%0.236SC..SBendtrans-156.4174.2175.764.859.3000109.4W466 N467 N468N464-W466 PolarHBondContact O-N 3.28Å; N464-W466 WeakPolarHBondContact OD1-CB 3.08Å; N464-W466 PolarHBondContact OD1-N 3.03Å; N464-N467 CarbonylContact O-C 3.57Å; N464-N467 PolarHBondContact O-N 2.82Å; N464-N467 PolarHBondContact OD1-N 3.46Å; N464-N467 VanDerWaalsContact OD1-N 3.12Å; N464-N468 VanDerWaalsContact O-CG 3.27Å; N464-N468 PolarHBondContact O-ND2 2.99Å; N464-N468 PolarHBondContact O-OD1 3.22Å
465K55.3Low75.5Confident61 Ų6149.9 Ų49.927%0.26523%0.228SC..SBendtrans-60.6-11.8-175.170.7-178.6176.9-175.70116.7E380 T419 N468E380-K465 IonicContact OE1-NZ 3.17Å; E380-K465 PolarHBondContact OE1-NZ 3.05Å; E380-K465 IonicContact OE2-NZ 2.65Å; E380-K465 PolarHBondContact OE2-NZ 2.91Å; T419-K465 HydrophobicContact CG2-CB 4.09Å; K465-N468 WeakPolarHBondContact CA-ND2 3.47Å; K465-N468 PolarHBondContact O-ND2 2.95Å
466W51.5Low75.5Confident115 Ų11550.5 Ų50.544%0.43623%0.234SC..SBendtrans-96.4-61.8176.5-46103.9000109.9E171 N464 N468E171-W466 WeakPolarHBondContact OE2-CB 3.43Å; N464-W466 PolarHBondContact O-N 3.28Å; N464-W466 WeakPolarHBondContact OD1-CB 3.08Å; N464-W466 PolarHBondContact OD1-N 3.03Å; W466-N468 VanDerWaalsContact C-N 3.29Å; W466-N468 PolarHBondContact O-N 3.01Å
467N52.5Low75.6Confident85 Ų8557.8 Ų57.846%0.45526%0.261SS..SBendtrans-79.778.7177.8-174.7-15.2000110.7E171 G462 Y463 N464E171-N467 VanDerWaalsContact OE1-CA 3.26Å; E171-N467 WeakPolarHBondContact OE1-CA 3.12Å; E171-N467 WeakPolarHBondContact OE1-CB 3.27Å; E171-N467 PolarHBondContact OE2-N 3.12Å; G462-N467 CarbonylContact C-O 3.59Å; G462-N467 WeakPolarHBondContact CA-O 3.37Å; Y463-N467 PolarHBondContact N-O 2.88Å; N464-N467 CarbonylContact O-C 3.57Å; N464-N467 PolarHBondContact O-N 2.82Å; N464-N467 PolarHBondContact OD1-N 3.46Å; N464-N467 VanDerWaalsContact OD1-N 3.12Å
468N61.4Low75.6Confident25 Ų2559.3 Ų59.313%0.13427%0.269CS..EExtended strand (participates in β ladder)trans-123.4145.2172.5-71.9-49.7000110L460 V461 G462 N464 K465 W466 T496L460-N468 HydrophobicContact CB-CB 3.94Å; V461-N468 WeakPolarHBondContact O-CA 3.06Å; G462-N468 VanDerWaalsContact CA-OD1 3.24Å; G462-N468 WeakPolarHBondContact CA-OD1 3.41Å; G462-N468 PolarHBondContact N-OD1 3.35Å; N464-N468 VanDerWaalsContact O-CG 3.27Å; N464-N468 PolarHBondContact O-ND2 2.99Å; N464-N468 PolarHBondContact O-OD1 3.22Å; K465-N468 WeakPolarHBondContact CA-ND2 3.47Å; K465-N468 PolarHBondContact O-ND2 2.95Å; W466-N468 VanDerWaalsContact C-N 3.29Å; W466-N468 PolarHBondContact O-N 3.01Å; N468-T496 PolarHBondContact ND2-OG1 2.97Å
469Y63.2Low75.7Confident102 Ų10262.7 Ų62.740%0.430%0.297SS..EExtended strand (participates in β ladder)trans-108149.5165.661.6-87.2000111.1L460 V461 V471 Y485L460-Y469 VanDerWaalsContact CA-O 3.24Å; L460-Y469 WeakPolarHBondContact CA-O 3.45Å; L460-Y469 WeakPolarHBondContact CB-O 3.44Å; V461-Y469 PolarHBondContact N-O 2.89Å; V461-Y469 WeakPolarHBondContact O-CD1 3.5Å; V461-Y469 WeakPolarHBondContact O-CE1 3.38Å; V461-Y469 PolarHBondContact O-N 3.12Å; Y469-V471 HydrophobicContact CD2-CG2 4.01Å; Y469-V471 HydrophobicContact CE2-CG2 3.57Å; Y469-V471 PolarHBondContact O-N 2.98Å; Y469-Y485 PolarHBondContact OH-OH 2.84Å
470L74.5Confident75.8Confident78 Ų7868 Ų6841%0.40832%0.32SS..EExtended strand (participates in β ladder)trans-65126.4173.4-179.963000110.1Y458 L460 E472Y458-L470 HydrophobicContact CD1-CD1 3.74Å; Y458-L470 HydrophobicContact CD1-CD2 4.39Å; Y458-L470 HydrophobicContact CG-CD1 4.38Å; L460-L470 HydrophobicContact CG-CD1 4.25Å; L470-E472 WeakPolarHBondContact CD1-O 3.27Å
471V77.9Confident76Confident32 Ų3269.5 Ų69.519%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-99-46.7174.8167.20000111.1F459 V461 Y469 Y483 Y485F459-V471 HydrophobicContact CD1-CB 3.92Å; F459-V471 HydrophobicContact CD1-CG1 3.86Å; F459-V471 HydrophobicContact CE1-CB 4.31Å; F459-V471 HydrophobicContact CE1-CG1 4.08Å; F459-V471 PolarHBondContact O-N 3.35Å; V461-V471 HydrophobicContact CB-CG2 3.83Å; V461-V471 HydrophobicContact CG2-CB 4.33Å; V461-V471 HydrophobicContact CG2-CG2 3.56Å; Y469-V471 HydrophobicContact CD2-CG2 4.01Å; Y469-V471 HydrophobicContact CE2-CG2 3.57Å; Y469-V471 PolarHBondContact O-N 2.98Å; V471-Y483 HydrophobicContact CG1-CE1 4.31Å; V471-Y483 WeakPolarHBondContact CG1-OH 3.37Å; V471-Y485 HydrophobicContact CG1-CD2 3.59Å; V471-Y485 HydrophobicContact CG1-CE2 3.96Å; V471-Y485 HydrophobicContact CG1-CG 4.22Å; V471-Y485 HydrophobicContact CG2-CD2 4.46Å; V471-Y485 HydrophobicContact CG2-CE2 4.15Å
472E80.8Confident76.4Confident23 Ų2373.3 Ų73.311%0.10735%0.353CS..EExtended strand (participates in β ladder)trans-152.7151.9-179.4-169.757.1-8100111.9F459 L470 W474 Y483 Q743F459-E472 PolarHBondContact N-O 2.81Å; F459-E472 PolarHBondContact O-N 2.88Å; L470-E472 WeakPolarHBondContact CD1-O 3.27Å; E472-W474 HydrophobicContact CB-CH2 3.77Å; E472-W474 HydrophobicContact CB-CZ2 3.96Å; E472-W474 HydrophobicContact CB-CZ3 4.37Å; E472-W474 HydrophobicContact CG-CH2 3.79Å; E472-W474 HydrophobicContact CG-CZ2 3.43Å; E472-W474 VanDerWaalsContact CG-CZ2 3.43Å; E472-W474 HydrophobicContact CG-CZ3 4.47Å; E472-Y483 HydrophobicContact CB-CE1 4.31Å; E472-Y483 HydrophobicContact CB-CE2 4.13Å; E472-Y483 HydrophobicContact CG-CE2 3.88Å; E472-Q743 WeakPolarHBondContact OE2-CB 3.31Å; E472-Q743 PolarHBondContact OE2-N 2.68Å
473Q84.8Confident77.3Confident62 Ų6274.3 Ų74.329%0.2935%0.354SS..EExtended strand (participates in β ladder)trans-131.4140.8177.971.5-177.8-80.700112.7F457 Y458 Q743F457-Q473 CarbonylContact O-C 3.54Å; F457-Q473 WeakPolarHBondContact O-CA 3.36Å; Y458-Q473 HydrophobicContact CD1-CB 4.02Å; Y458-Q473 HydrophobicContact CE1-CB 4.33Å; Q473-Q743 PolarHBondContact O-NE2 2.81Å
474W86.9Confident78.3Confident15 Ų1569.4 Ų69.46%0.05734%0.34CS..EExtended strand (participates in β ladder)trans-120.6134.6173-56.6-88.8000109.7F445 F447 K456 F457 F459 E472 Y483F445-W474 HydrophobicContact CE2-CH2 4.34Å; F445-W474 AromaticContact CZ-CH2 3.9Å; F445-W474 HydrophobicContact CZ-CH2 3.9Å; F445-W474 HydrophobicContact CZ-CZ3 4.41Å; F447-W474 HydrophobicContact CE1-CD2 4.35Å; F447-W474 AromaticContact CE1-CE2 3.99Å; F447-W474 HydrophobicContact CE1-CH2 4.43Å; F447-W474 HydrophobicContact CE1-CZ2 4.04Å; F447-W474 HydrophobicContact CE2-CD2 4.05Å; F447-W474 HydrophobicContact CE2-CE3 4.36Å; F447-W474 HydrophobicContact CE2-CG 4.11Å; F447-W474 AromaticContact CZ-CD1 3.84Å; F447-W474 AromaticContact CZ-CD2 3.49Å; F447-W474 HydrophobicContact CZ-CD2 3.49Å; F447-W474 VanDerWaalsContact CZ-CD2 3.49Å; F447-W474 AromaticContact CZ-CE2 3.47Å; F447-W474 VanDerWaalsContact CZ-CE2 3.47Å; F447-W474 HydrophobicContact CZ-CE3 4.02Å; F447-W474 AromaticContact CZ-CG 3.76Å; F447-W474 HydrophobicContact CZ-CG 3.76Å; F447-W474 HydrophobicContact CZ-CH2 4.45Å; F447-W474 AromaticContact CZ-CZ2 3.98Å; F447-W474 HydrophobicContact CZ-CZ2 3.98Å; F447-W474 HydrophobicContact CZ-CZ3 4.46Å; F447-W474 AromaticContact CZ-NE1 3.67Å; K456-W474 WeakPolarHBondContact CA-O 3.5Å; F457-W474 HydrophobicContact CB-CB 4.45Å; F457-W474 HydrophobicContact CB-CE3 4.45Å; F457-W474 HydrophobicContact CD1-CD2 4.33Å; F457-W474 AromaticContact CD1-CE3 3.51Å; F457-W474 HydrophobicContact CD1-CE3 3.51Å; F457-W474 AromaticContact CD1-CZ3 3.98Å; F457-W474 HydrophobicContact CD1-CZ3 3.98Å; F457-W474 HydrophobicContact CE1-CE3 4.16Å; F457-W474 HydrophobicContact CE1-CZ3 4.2Å; F457-W474 HydrophobicContact CG-CE3 4.29Å; F457-W474 PolarHBondContact N-O 3.48Å; F457-W474 PolarHBondContact O-N 3.16Å; F459-W474 HydrophobicContact CB-CH2 3.83Å; F459-W474 HydrophobicContact CB-CZ3 3.67Å; E472-W474 HydrophobicContact CB-CH2 3.77Å; E472-W474 HydrophobicContact CB-CZ2 3.96Å; E472-W474 HydrophobicContact CB-CZ3 4.37Å; E472-W474 HydrophobicContact CG-CH2 3.79Å; E472-W474 HydrophobicContact CG-CZ2 3.43Å; E472-W474 VanDerWaalsContact CG-CZ2 3.43Å; E472-W474 HydrophobicContact CG-CZ3 4.47Å; W474-Y483 HydrophobicContact CH2-CD1 4.1Å; W474-Y483 HydrophobicContact CH2-CD2 4.37Å; W474-Y483 HydrophobicContact CH2-CE1 4.49Å; W474-Y483 HydrophobicContact CH2-CG 4.02Å; W474-Y483 HydrophobicContact CZ2-CD1 4.23Å; W474-Y483 AromaticContact CZ2-CD2 3.7Å; W474-Y483 HydrophobicContact CZ2-CD2 3.7Å; W474-Y483 HydrophobicContact CZ2-CE2 4.21Å; W474-Y483 AromaticContact CZ2-CG 3.7Å; W474-Y483 HydrophobicContact CZ2-CG 3.7Å
475K86.5Confident79.3Confident130 Ų13068.5 Ų68.557%0.56533%0.333SS*.EExtended strand (participates in β ladder)trans-110.8145-178.9-61.5-177.7-176.8175.10110.5C455 N478C455-K475 CarbonylContact O-C 3.57Å; C455-K475 VanDerWaalsContact O-CA 3.32Å; C455-K475 WeakPolarHBondContact O-CA 3.47Å; K475-N478 PolarHBondContact O-ND2 3.44Å
476G86.6Confident80.6Confident13 Ų1367.2 Ų67.213%0.13433%0.329CS..SBendtrans57-149.6178.600000113.8T449 C455 N478T449-G476 PolarHBondContact OG1-O 3.34Å; C455-G476 PolarHBondContact O-N 3.13Å; G476-N478 PolarHBondContact O-ND2 2.94Å; G476-N478 VanDerWaalsContact O-ND2 3.15Å
477R90.3Very high82Confident189 Ų18962 Ų6271%0.71331%0.309SS*.  trans-82.6119.3-174.4-171.4179.9-177173.52112.4T449 C451T449-R477 WeakPolarHBondContact O-CA 3.48Å; T449-R477 WeakPolarHBondContact O-CG 3.22Å; C451-R477 HydrophobicContact CB-CB 4.29Å
478N90.1Very high82.8Confident32 Ų3261.8 Ų61.817%0.17131%0.306CS..EExtended strand (participates in β ladder)trans-118.5130.7178-70.6-106.7000109.9T449 K475 G476 Q481T449-N478 PolarHBondContact N-O 3.14Å; T449-N478 PolarHBondContact O-N 2.88Å; T449-N478 WeakPolarHBondContact OG1-CB 3.2Å; T449-N478 PolarHBondContact OG1-N 2.77Å; T449-N478 PolarHBondContact OG1-ND2 2.97Å; K475-N478 PolarHBondContact O-ND2 3.44Å; G476-N478 PolarHBondContact O-ND2 2.94Å; G476-N478 VanDerWaalsContact O-ND2 3.15Å; N478-Q481 PolarHBondContact OD1-NE2 3.1Å
479S89.8Confident83.2Confident101 Ų10163 Ų6371%0.70632%0.317SS*.EExtended strand (participates in β ladder)trans-68.2162.7172.351.80000111.6Q481S479-Q481 PolarHBondContact O-N 3.06Å
480K92.3Very high83.9Confident112 Ų11260.6 Ų60.649%0.48731%0.31SS..EExtended strand (participates in β ladder)trans-56.1110.4-178.7-173.6169179.9160.80111.6I446 F447 E448 Y519I446-K480 HydrophobicContact CG2-CD 4.47Å; I446-K480 HydrophobicContact CG2-CG 3.85Å; F447-K480 VanDerWaalsContact O-CA 3.31Å; F447-K480 WeakPolarHBondContact O-CA 3.43Å; E448-K480 HydrophobicContact CB-CB 4.33Å; K480-Y519 HydrophobicContact CD-CD2 3.76Å; K480-Y519 HydrophobicContact CD-CE2 3.54Å; K480-Y519 HydrophobicContact CD-CG 4.4Å; K480-Y519 HydrophobicContact CG-CD2 4.06Å; K480-Y519 HydrophobicContact CG-CE2 3.99Å
481Q89.6Confident84.1Confident68 Ų6861 Ų6132%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-137.4159.2-174.565.6-175.7-27.700111.9I446 F447 N478 S479I446-Q481 WeakPolarHBondContact CA-O 3.24Å; F447-Q481 HydrophobicContact CD1-CG 4.28Å; F447-Q481 HydrophobicContact CE1-CG 3.68Å; F447-Q481 HydrophobicContact CE2-CG 4.41Å; F447-Q481 HydrophobicContact CZ-CG 3.75Å; F447-Q481 PolarHBondContact N-O 3.45Å; F447-Q481 PolarHBondContact O-N 3.24Å; N478-Q481 PolarHBondContact OD1-NE2 3.1Å; S479-Q481 PolarHBondContact O-N 3.06Å
482S90.9Very high84.3Confident85 Ų8562.1 Ų62.159%0.59432%0.32SS*.EExtended strand (participates in β ladder)trans-105.5127176.857.50000111.3F445F445-S482 WeakPolarHBondContact O-CA 3.35Å
483Y90.7Very high84.5Confident32 Ų3261.6 Ų61.613%0.12532%0.318CS..EExtended strand (participates in β ladder)trans-107.8154.6167.7-173.9-104.4000110.4T444 F445 F459 V471 E472 W474T444-Y483 WeakPolarHBondContact CA-O 3.48Å; F445-Y483 AromaticContact CE1-CD1 3.73Å; F445-Y483 HydrophobicContact CE1-CD1 3.73Å; F445-Y483 AromaticContact CZ-CD1 3.78Å; F445-Y483 HydrophobicContact CZ-CD1 3.78Å; F445-Y483 HydrophobicContact CZ-CG 4.28Å; F445-Y483 PolarHBondContact N-O 3.18Å; F445-Y483 PolarHBondContact O-N 2.77Å; F459-Y483 HydrophobicContact CD1-CD1 4.19Å; F459-Y483 AromaticContact CD1-CE1 3.77Å; F459-Y483 HydrophobicContact CD1-CE1 3.77Å; F459-Y483 HydrophobicContact CE1-CD1 4.44Å; F459-Y483 HydrophobicContact CE1-CE1 4.02Å; V471-Y483 HydrophobicContact CG1-CE1 4.31Å; V471-Y483 WeakPolarHBondContact CG1-OH 3.37Å; E472-Y483 HydrophobicContact CB-CE1 4.31Å; E472-Y483 HydrophobicContact CB-CE2 4.13Å; E472-Y483 HydrophobicContact CG-CE2 3.88Å; W474-Y483 HydrophobicContact CH2-CD1 4.1Å; W474-Y483 HydrophobicContact CH2-CD2 4.37Å; W474-Y483 HydrophobicContact CH2-CE1 4.49Å; W474-Y483 HydrophobicContact CH2-CG 4.02Å; W474-Y483 HydrophobicContact CZ2-CD1 4.23Å; W474-Y483 AromaticContact CZ2-CD2 3.7Å; W474-Y483 HydrophobicContact CZ2-CD2 3.7Å; W474-Y483 HydrophobicContact CZ2-CE2 4.21Å; W474-Y483 AromaticContact CZ2-CG 3.7Å; W474-Y483 HydrophobicContact CZ2-CG 3.7Å
484S85.4Confident84.5Confident41 Ų4158.6 Ų58.629%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-144.5141.5176.5-64.80000111.3I443 T444I443-S484 CarbonylContact O-C 3.51Å; I443-S484 WeakPolarHBondContact O-CA 3.34Å; T444-S484 WeakPolarHBondContact CB-OG 3.29Å; T444-S484 WeakPolarHBondContact CG2-OG 3.35Å; T444-S484 PolarHBondContact OG1-OG 2.69Å
485Y85.3Confident84.8Confident38 Ų3857.9 Ų57.915%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-134.3145.6-178.6173.9-101.4000111.1R442 I443 F459 V461 Y469 V471 I487 F495R442-Y485 WeakPolarHBondContact CA-O 3.38Å; I443-Y485 HydrophobicContact CG2-CD1 4.06Å; I443-Y485 HydrophobicContact CG2-CG 4.44Å; I443-Y485 PolarHBondContact N-O 2.75Å; I443-Y485 PolarHBondContact O-N 3.43Å; F459-Y485 HydrophobicContact CE1-CD1 4.4Å; F459-Y485 HydrophobicContact CE1-CG 4.13Å; V461-Y485 HydrophobicContact CB-CE1 4.36Å; V461-Y485 HydrophobicContact CG1-CE1 3.95Å; V461-Y485 HydrophobicContact CG2-CD1 4.09Å; V461-Y485 HydrophobicContact CG2-CE1 4.02Å; Y469-Y485 PolarHBondContact OH-OH 2.84Å; V471-Y485 HydrophobicContact CG1-CD2 3.59Å; V471-Y485 HydrophobicContact CG1-CE2 3.96Å; V471-Y485 HydrophobicContact CG1-CG 4.22Å; V471-Y485 HydrophobicContact CG2-CD2 4.46Å; V471-Y485 HydrophobicContact CG2-CE2 4.15Å; Y485-I487 HydrophobicContact CD1-CD1 4.41Å; Y485-I487 HydrophobicContact CE1-CG1 4.39Å; Y485-F495 HydrophobicContact CD1-CE1 4.43Å
486L80.8Confident85Confident33 Ų3352 Ų5217%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-98131.1-174.6-77.4171.4000111.6E439E439-L486 HydrophobicContact CB-CD2 4.27Å; E439-L486 VanDerWaalsContact CD-CD2 3.48Å; E439-L486 HydrophobicContact CG-CD2 3.64Å
487I81.2Confident85.3Confident6 Ų651.3 Ų51.33%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-105.4125.6174.6-58.386.8000108.8Y425 L440 S441 I443 Y485 S489 F495Y425-I487 HydrophobicContact CD2-CG2 4.01Å; Y425-I487 HydrophobicContact CE2-CG2 3.71Å; L440-I487 WeakPolarHBondContact CB-O 3.34Å; L440-I487 PolarHBondContact N-O 3.12Å; L440-I487 VanDerWaalsContact N-O 3.13Å; S441-I487 PolarHBondContact N-O 2.04Å; S441-I487 PolarHBondContact O-N 3.44Å; I443-I487 HydrophobicContact CB-CD1 4.29Å; I443-I487 HydrophobicContact CG2-CD1 4.06Å; Y485-I487 HydrophobicContact CD1-CD1 4.41Å; Y485-I487 HydrophobicContact CE1-CG1 4.39Å; I487-S489 WeakPolarHBondContact CG2-O 2.87Å; I487-F495 HydrophobicContact CD1-CE1 4.28Å; I487-F495 HydrophobicContact CD1-CZ 3.86Å; I487-F495 HydrophobicContact CG1-CE1 4.3Å; I487-F495 HydrophobicContact CG1-CZ 3.89Å
488Q70.1Confident85.2Confident80 Ų8042.9 Ų42.937%0.37424%0.239SC..  trans-111.3-13.3-175.4-63.9162.7-8.100113M437M437-Q488 HydrophobicContact CG-CB 3.97Å; M437-Q488 HydrophobicContact CG-CG 3.76Å; M437-Q488 HydrophobicContact SD-CB 4.48Å; M437-Q488 HydrophobicContact SD-CG 4.32Å; M437-Q488 PolarHBondContact SD-OE1 3.49Å; M437-Q488 VanDerWaalsContact SD-OE1 3.35Å
489S70Confident85.2Confident52 Ų5241.4 Ų41.436%0.36423%0.231SC..  trans-114.9145.5179.789.90000112.1L440 I487 N491L440-S489 WeakPolarHBondContact CD2-O 3.18Å; I487-S489 WeakPolarHBondContact CG2-O 2.87Å; S489-N491 PolarHBondContact O-N 3.45Å
490N78.2Confident85Confident51 Ų5136.7 Ų36.727%0.27320%0.198SC..  trans-85.59.7-177.870.6-92.6000114.4R427 L440R427-N490 HydrophobicContact CG-CB 4.17Å; R427-N490 VanDerWaalsContact CZ-OD1 3.24Å; R427-N490 PolarHBondContact NE-OD1 3.15Å; R427-N490 PolarHBondContact NH2-OD1 3Å; L440-N490 VanDerWaalsContact CD2-CA 3.4Å; L440-N490 HydrophobicContact CD2-CB 3.59Å
491N78.3Confident84.7Confident87 Ų8731.6 Ų31.647%0.46518%0.176SC..SBendtrans-73.2166.9-177-64.3-18.8000111.2S489 V493S489-N491 PolarHBondContact O-N 3.45Å; N491-V493 PolarHBondContact O-N 3.23Å
492T81.9Confident84.2Confident55 Ų5528.9 Ų28.934%0.33716%0.164SC..  trans-52.7132.6161.5-50.80000109.5V422V422-T492 WeakPolarHBondContact O-CA 3.24Å; V422-T492 WeakPolarHBondContact O-CG2 3.42Å
493V84.6Confident83.2Confident11 Ų1128.5 Ų28.57%0.06715%0.153CC..EExtended strand (participates in β ladder)trans-129.4132.8176.5172.70000110.2V422 Y425 V461 G462 N491 F495V422-V493 PolarHBondContact N-O 2.84Å; V422-V493 PolarHBondContact O-N 3.34Å; Y425-V493 HydrophobicContact CE2-CB 4.13Å; Y425-V493 HydrophobicContact CE2-CG2 3.88Å; V461-V493 HydrophobicContact CG1-CG1 3.65Å; G462-V493 CarbonylContact O-C 3.58Å; G462-V493 VanDerWaalsContact O-CA 3.3Å; G462-V493 WeakPolarHBondContact O-CA 3.39Å; N491-V493 PolarHBondContact O-N 3.23Å; V493-F495 HydrophobicContact CB-CZ 4.43Å; V493-F495 HydrophobicContact CG1-CD1 4.17Å; V493-F495 HydrophobicContact CG1-CD2 4.34Å; V493-F495 HydrophobicContact CG1-CE1 3.72Å; V493-F495 HydrophobicContact CG1-CE2 3.93Å; V493-F495 HydrophobicContact CG1-CG 4.46Å; V493-F495 HydrophobicContact CG1-CZ 3.61Å
494S86Confident82Confident0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-94.6128.41671730000108.9T419 V461 G462 T496T419-S494 WeakPolarHBondContact CG2-OG 3.49Å; V461-S494 WeakPolarHBondContact CA-O 3.32Å; G462-S494 PolarHBondContact N-O 2.89Å; G462-S494 VanDerWaalsContact N-O 3.1Å; G462-S494 PolarHBondContact O-N 2.82Å; S494-T496 PolarHBondContact OG-OG1 3.22Å
495F92.4Very high80.6Confident0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-106.4123.7167.9-62.3-70.8000108.6T419 L420 V422 Y425 I443 F459 V461 Y485 I487 V493 W497 V523T419-F495 CarbonylContact C-O 3.55Å; T419-F495 WeakPolarHBondContact CA-O 3.29Å; L420-F495 HydrophobicContact CB-CB 4.36Å; L420-F495 HydrophobicContact CD2-CD2 4.5Å; L420-F495 PolarHBondContact N-O 2.93Å; L420-F495 PolarHBondContact O-N 3.11Å; V422-F495 HydrophobicContact CB-CE2 4.27Å; V422-F495 HydrophobicContact CG2-CD2 3.89Å; V422-F495 HydrophobicContact CG2-CE2 3.75Å; Y425-F495 VanDerWaalsContact OH-CE2 3.23Å; Y425-F495 WeakPolarHBondContact OH-CE2 3.44Å; Y425-F495 VanDerWaalsContact OH-CZ 3.28Å; Y425-F495 WeakPolarHBondContact OH-CZ 3.37Å; I443-F495 HydrophobicContact CB-CE1 4.15Å; I443-F495 HydrophobicContact CB-CZ 4.12Å; I443-F495 HydrophobicContact CD1-CB 4.03Å; I443-F495 HydrophobicContact CD1-CD1 3.69Å; I443-F495 HydrophobicContact CD1-CD2 3.72Å; I443-F495 HydrophobicContact CD1-CE1 4.04Å; I443-F495 HydrophobicContact CD1-CE2 4.03Å; I443-F495 HydrophobicContact CD1-CG 3.52Å; I443-F495 HydrophobicContact CD1-CZ 4.18Å; I443-F495 HydrophobicContact CG2-CD1 4.1Å; I443-F495 HydrophobicContact CG2-CE1 3.61Å; I443-F495 HydrophobicContact CG2-CZ 4.04Å; F459-F495 HydrophobicContact CE2-CB 4.24Å; F459-F495 HydrophobicContact CE2-CD1 4.1Å; F459-F495 AromaticContact CZ-CD1 3.78Å; F459-F495 HydrophobicContact CZ-CD1 3.78Å; F459-F495 HydrophobicContact CZ-CE1 4.42Å; V461-F495 HydrophobicContact CG1-CD1 4.18Å; V461-F495 HydrophobicContact CG1-CE1 4.01Å; V461-F495 HydrophobicContact CG2-CD1 3.92Å; V461-F495 HydrophobicContact CG2-CE1 4.21Å; Y485-F495 HydrophobicContact CD1-CE1 4.43Å; I487-F495 HydrophobicContact CD1-CE1 4.28Å; I487-F495 HydrophobicContact CD1-CZ 3.86Å; I487-F495 HydrophobicContact CG1-CE1 4.3Å; I487-F495 HydrophobicContact CG1-CZ 3.89Å; V493-F495 HydrophobicContact CB-CZ 4.43Å; V493-F495 HydrophobicContact CG1-CD1 4.17Å; V493-F495 HydrophobicContact CG1-CD2 4.34Å; V493-F495 HydrophobicContact CG1-CE1 3.72Å; V493-F495 HydrophobicContact CG1-CE2 3.93Å; V493-F495 HydrophobicContact CG1-CG 4.46Å; V493-F495 HydrophobicContact CG1-CZ 3.61Å; F495-W497 HydrophobicContact CB-CH2 3.73Å; F495-W497 HydrophobicContact CB-CZ2 4.39Å; F495-W497 HydrophobicContact CB-CZ3 4Å; F495-V523 HydrophobicContact CE2-CG1 4.32Å
496T90.1Very high79.2Confident5 Ų537 Ų373%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-126.3122.9-173-60.30000109.9T417 L418 T419 L460 N468 S494T417-T496 HydrophobicContact CG2-CG2 3.46Å; T417-T496 VanDerWaalsContact CG2-CG2 3.46Å; L418-T496 CarbonylContact O-C 3.56Å; L418-T496 WeakPolarHBondContact O-CA 3.28Å; T419-T496 PolarHBondContact OG1-OG1 2.73Å; L460-T496 HydrophobicContact CD1-CG2 4.35Å; L460-T496 PolarHBondContact N-O 3.16Å; L460-T496 PolarHBondContact O-N 3.22Å; N468-T496 PolarHBondContact ND2-OG1 2.97Å; S494-T496 PolarHBondContact OG-OG1 3.22Å
497W93.1Very high77.8Confident0 Ų043.7 Ų43.70%023%0.229CC..EExtended strand (participates in β ladder)trans-106128.9170.6-60.1-93.3000108.8M379 W397 T417 L418 L420 I443 F445 F457 Y458 F459 F495 I518 I521M379-W497 HydrophobicContact CE-CZ3 4.2Å; W397-W497 HydrophobicContact CZ2-CB 4.42Å; T417-W497 WeakPolarHBondContact CA-O 3.32Å; L418-W497 HydrophobicContact CB-CB 4.47Å; L418-W497 HydrophobicContact CD2-CE3 3.96Å; L418-W497 HydrophobicContact CG-CE3 4.28Å; L418-W497 PolarHBondContact N-O 2.93Å; L418-W497 PolarHBondContact O-N 2.85Å; L420-W497 HydrophobicContact CB-CH2 4.13Å; L420-W497 HydrophobicContact CB-CZ3 3.72Å; L420-W497 HydrophobicContact CD2-CH2 4.15Å; I443-W497 HydrophobicContact CD1-CH2 3.9Å; I443-W497 HydrophobicContact CD1-CZ2 3.84Å; F445-W497 AromaticContact CD1-CE2 4Å; F445-W497 AromaticContact CD1-CZ2 3.85Å; F445-W497 HydrophobicContact CD1-CZ2 3.85Å; F445-W497 AromaticContact CD1-NE1 3.5Å; F445-W497 AromaticContact CD2-NE1 3.54Å; F445-W497 HydrophobicContact CE1-CZ2 4.26Å; F445-W497 AromaticContact CE1-NE1 3.31Å; F445-W497 VanDerWaalsContact CE1-NE1 3.31Å; F445-W497 AromaticContact CE2-CD1 3.86Å; F445-W497 AromaticContact CE2-NE1 3.36Å; F445-W497 HydrophobicContact CG-CZ2 4.22Å; F445-W497 AromaticContact CG-NE1 3.62Å; F445-W497 AromaticContact CZ-CD1 3.86Å; F445-W497 AromaticContact CZ-NE1 3.24Å; F457-W497 HydrophobicContact CE2-CB 3.95Å; F457-W497 HydrophobicContact CZ-CB 4.02Å; F457-W497 AromaticContact CZ-CD1 3.63Å; F457-W497 HydrophobicContact CZ-CG 4.16Å; Y458-W497 WeakPolarHBondContact O-CA 3.28Å; F459-W497 AromaticContact CD2-CD1 3.74Å; F459-W497 HydrophobicContact CD2-CD2 4.34Å; F459-W497 AromaticContact CD2-CE2 3.79Å; F459-W497 HydrophobicContact CD2-CG 4.31Å; F459-W497 HydrophobicContact CD2-CZ2 4.3Å; F459-W497 AromaticContact CD2-NE1 3.4Å; F459-W497 AromaticContact CE2-CE2 3.8Å; F459-W497 AromaticContact CE2-CZ2 3.83Å; F459-W497 HydrophobicContact CE2-CZ2 3.83Å; F459-W497 AromaticContact CE2-NE1 3.81Å; F495-W497 HydrophobicContact CB-CH2 3.73Å; F495-W497 HydrophobicContact CB-CZ2 4.39Å; F495-W497 HydrophobicContact CB-CZ3 4Å; W497-I518 HydrophobicContact CB-CD1 4.12Å; W497-I518 HydrophobicContact CD2-CD1 3.91Å; W497-I518 HydrophobicContact CG-CD1 3.69Å; W497-I521 HydrophobicContact CH2-CD1 3.72Å; W497-I521 HydrophobicContact CH2-CG2 4.08Å; W497-I521 HydrophobicContact CZ2-CD1 4.03Å; W497-I521 HydrophobicContact CZ2-CG1 4.49Å; W497-I521 HydrophobicContact CZ2-CG2 4.27Å; W497-I521 HydrophobicContact CZ3-CD1 4.04Å
498T89.1Confident76.7Confident12 Ų1248.7 Ų48.77%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-129132.2-179.9-590000109.5Y415 L416 T417 F457 Y458Y415-T498 HydrophobicContact CD1-CG2 3.76Å; Y415-T498 HydrophobicContact CG-CG2 4.19Å; L416-T498 WeakPolarHBondContact O-CA 3.4Å; T417-T498 PolarHBondContact OG1-OG1 2.96Å; F457-T498 WeakPolarHBondContact CA-O 3.39Å; F457-T498 WeakPolarHBondContact CD2-O 3.47Å; Y458-T498 PolarHBondContact N-O 3.36Å; Y458-T498 PolarHBondContact O-N 2.99Å
499F90.1Very high76.5Confident0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-118.1138.3175.6-176.5-115.4000110.8T406 L416 T449 C455 F457 R501 D514 A516T406-F499 HydrophobicContact CG2-CB 3.71Å; T406-F499 HydrophobicContact CG2-CD1 3.8Å; T406-F499 HydrophobicContact CG2-CG 4.05Å; L416-F499 HydrophobicContact CB-CB 4.43Å; L416-F499 HydrophobicContact CD1-CD1 4.36Å; L416-F499 PolarHBondContact N-O 3Å; L416-F499 PolarHBondContact O-N 2.95Å; T449-F499 HydrophobicContact CG2-CE2 4.44Å; C455-F499 HydrophobicContact CB-CE2 3.77Å; C455-F499 HydrophobicContact CB-CZ 4.03Å; C455-F499 VanDerWaalsContact SG-CZ 3.59Å; F457-F499 HydrophobicContact CB-CD2 4.06Å; F457-F499 HydrophobicContact CD2-CB 4.06Å; F457-F499 HydrophobicContact CD2-CD2 4.15Å; F499-R501 HydrophobicContact CD1-CG 4.48Å; F499-R501 HydrophobicContact CE1-CG 3.82Å; F499-R501 HydrophobicContact CZ-CG 4.46Å; F499-D514 HydrophobicContact CZ-CB 4.43Å; F499-A516 HydrophobicContact CB-CB 4Å; F499-A516 HydrophobicContact CD1-CB 4.31Å; F499-A516 HydrophobicContact CD2-CB 3.66Å; F499-A516 HydrophobicContact CE2-CB 4.13Å; F499-A516 HydrophobicContact CG-CB 3.74Å
500Q85.9Confident76.6Confident3 Ų350.5 Ų50.51%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-132.5134.5176.1-179.517936.400107.7T413 Y415 C455 K456 T502T413-Q500 PolarHBondContact O-NE2 2.66Å; Y415-Q500 HydrophobicContact CD1-CB 4.08Å; Y415-Q500 HydrophobicContact CD1-CG 4.45Å; Y415-Q500 HydrophobicContact CE1-CB 4.18Å; Y415-Q500 VanDerWaalsContact CE1-CD 3.47Å; Y415-Q500 HydrophobicContact CE1-CG 4.26Å; Y415-Q500 VanDerWaalsContact CZ-NE2 3.32Å; Y415-Q500 PolarHBondContact OH-NE2 3.15Å; C455-Q500 CarbonylContact C-O 3.58Å; C455-Q500 VanDerWaalsContact CA-O 3.32Å; C455-Q500 WeakPolarHBondContact CA-O 3.07Å; K456-Q500 PolarHBondContact N-O 2.87Å; K456-Q500 PolarHBondContact O-N 2.72Å; Q500-T502 WeakPolarHBondContact CG-O 3.48Å; Q500-T502 PolarHBondContact NE2-O 3.25Å
501R85.3Confident76.5Confident4 Ų450.7 Ų50.72%0.01526%0.257CS..SBendtrans-84.6-37.8-177.3-59.8173.4162.995.315112.2T407 D412 C455 F499 F511 D514T407-R501 PolarHBondContact O-NH1 2.94Å; T407-R501 PolarHBondContact O-NH2 2.88Å; D412-R501 HydrophobicContact CB-CB 4.14Å; D412-R501 WeakPolarHBondContact O-CB 3.16Å; D412-R501 PolarHBondContact O-N 3.16Å; D412-R501 VanDerWaalsContact OD1-CD 3.25Å; D412-R501 WeakPolarHBondContact OD1-CD 3.25Å; C455-R501 VanDerWaalsContact CA-O 3.32Å; C455-R501 WeakPolarHBondContact CA-O 3.43Å; C455-R501 PolarHBondContact N-O 3.2Å; F499-R501 HydrophobicContact CD1-CG 4.48Å; F499-R501 HydrophobicContact CE1-CG 3.82Å; F499-R501 HydrophobicContact CZ-CG 4.46Å; R501-F511 HydrophobicContact CB-CB 4.23Å; R501-F511 VanDerWaalsContact CD-O 3.23Å; R501-F511 WeakPolarHBondContact CD-O 3.42Å; R501-F511 PolarHBondContact NE-O 2.89Å; R501-D514 HydrophobicContact CG-CB 4.15Å; R501-D514 VanDerWaalsContact CZ-O 3.24Å; R501-D514 PolarHBondContact NE-O 2.86Å; R501-D514 PolarHBondContact NH2-O 3.41Å
502T79.7Confident76.4Confident12 Ų1246.8 Ų46.87%0.07424%0.236CC..  trans-149.6156.9174.1-174.80000111.1D412 T413 Q500 E504 F511D412-T502 HydrophobicContact CB-CG2 4.01Å; D412-T502 PolarHBondContact O-N 2.92Å; T413-T502 HydrophobicContact CG2-CG2 4.36Å; Q500-T502 WeakPolarHBondContact CG-O 3.48Å; Q500-T502 PolarHBondContact NE2-O 3.25Å; T502-E504 WeakPolarHBondContact CG2-O 3.42Å; T502-E504 PolarHBondContact OG1-N 2.95Å; T502-F511 HydrophobicContact CG2-CD2 4.31Å
503E68.8Low76.2Confident76 Ų7648.6 Ų48.636%0.35525%0.248SC..SBendtrans-92.2-10.9165.6-76.5-179.9162.200112.6K203 K456K203-E503 WeakPolarHBondContact CE-OE1 3.34Å; K203-E503 IonicContact NZ-OE1 3.64Å; K203-E503 PolarHBondContact NZ-OE1 2.87Å; K456-E503 IonicContact NZ-OE1 3.3Å; K456-E503 PolarHBondContact NZ-OE1 3.42Å; K456-E503 IonicContact NZ-OE2 2.72Å; K456-E503 PolarHBondContact NZ-OE2 3.25Å
504E65.1Low76.4Confident153 Ų15348.2 Ų48.272%0.71525%0.245SC*.SBendtrans-79.2123.6177.6-63.8-166.8152.500111.1T413 T502 S506T413-E504 VanDerWaalsContact CG2-O 3.31Å; T413-E504 WeakPolarHBondContact CG2-O 3.3Å; T502-E504 WeakPolarHBondContact CG2-O 3.42Å; T502-E504 PolarHBondContact OG1-N 2.95Å; E504-S506 PolarHBondContact O-N 3Å
505I56.9Low76.6Confident105 Ų10548.7 Ų48.754%0.53825%0.249SC..  trans-7495.5178.5-57.8170.4000109.3T413T413-I505 HydrophobicContact CG2-CG1 4.2Å
506S56.5Low76.7Confident31 Ų3148.7 Ų48.722%0.21725%0.249CC..  trans-104.1139.8168.460.20000111.1E504 D508E504-S506 PolarHBondContact O-N 3Å; S506-D508 VanDerWaalsContact C-N 3.28Å; S506-D508 PolarHBondContact OG-O 2.83Å; S506-D508 VanDerWaalsContact OG-O 3.06Å
507M51.1Low76.9Confident174 Ų17449.7 Ų49.786%0.85725%0.253SS*.SBendtrans-78.5-14.2170.1-76.5-173.8-93.800112.8
508D57.8Low77Confident111 Ų11149.7 Ų49.759%0.59425%0.253SS*.SBendtrans-98.5137.3178.9-56.2-57000111.5S506 N510S506-D508 VanDerWaalsContact C-N 3.28Å; S506-D508 PolarHBondContact OG-O 2.83Å; S506-D508 VanDerWaalsContact OG-O 3.06Å; D508-N510 VanDerWaalsContact C-N 3.32Å; D508-N510 PolarHBondContact O-N 2.96Å; D508-N510 VanDerWaalsContact O-N 3.09Å
509R66.5Low77.3Confident66 Ų6650.9 Ų50.925%0.24926%0.257CS..  trans-84.960.2-178-66.9-172.6-174.4151.40.3113.5D280 V410 D412 F511 S512D280-R509 IonicContact OD1-NH1 2.74Å; D280-R509 PolarHBondContact OD1-NH1 3.03Å; V410-R509 PolarHBondContact O-NE 3.27Å; V410-R509 PolarHBondContact O-NH2 2.82Å; D412-R509 VanDerWaalsContact OD2-CA 3.28Å; D412-R509 WeakPolarHBondContact OD2-CA 3.44Å; R509-F511 VanDerWaalsContact C-N 3.29Å; R509-F511 PolarHBondContact O-N 2.99Å; R509-S512 PolarHBondContact O-OG 2.93Å; R509-S512 VanDerWaalsContact O-OG 3.05Å
510N70.9Confident77.5Confident104 Ų10452 Ų5256%0.55626%0.264SS*.THydrogen-bonded Turntrans-68.4-24.2-174.1-67-33.8000114.2D412 D508D412-N510 PolarHBondContact OD2-N 3Å; D508-N510 VanDerWaalsContact C-N 3.32Å; D508-N510 PolarHBondContact O-N 2.96Å; D508-N510 VanDerWaalsContact O-N 3.09Å
511F77.3Confident77.9Confident56 Ų5651.9 Ų51.925%0.24626%0.264CS..THydrogen-bonded Turntrans-117.816.1-170.4-51-60.4000113.2D412 A453 R501 T502 R509 T513 D514D412-F511 PolarHBondContact OD2-N 2.84Å; A453-F511 HydrophobicContact CB-CB 4.31Å; A453-F511 HydrophobicContact CB-CD1 3.64Å; A453-F511 HydrophobicContact CB-CD2 3.95Å; A453-F511 HydrophobicContact CB-CE1 3.87Å; A453-F511 HydrophobicContact CB-CE2 4.15Å; A453-F511 HydrophobicContact CB-CG 3.67Å; A453-F511 HydrophobicContact CB-CZ 4.11Å; R501-F511 HydrophobicContact CB-CB 4.23Å; R501-F511 VanDerWaalsContact CD-O 3.23Å; R501-F511 WeakPolarHBondContact CD-O 3.42Å; R501-F511 PolarHBondContact NE-O 2.89Å; T502-F511 HydrophobicContact CG2-CD2 4.31Å; R509-F511 VanDerWaalsContact C-N 3.29Å; R509-F511 PolarHBondContact O-N 2.99Å; F511-T513 PolarHBondContact O-N 3.39Å; F511-D514 VanDerWaalsContact O-CB 3.25Å; F511-D514 WeakPolarHBondContact O-CB 3.42Å; F511-D514 PolarHBondContact O-N 2.94Å
512S74.5Confident78.3Confident4 Ų455.2 Ų55.23%0.02828%0.28CS..THydrogen-bonded Turntrans-58.7-14.8-176.145.90000116N279 S408 D412 R509N279-S512 WeakPolarHBondContact CB-OG 3.03Å; N279-S512 PolarHBondContact ND2-OG 3.4Å; S408-S512 PolarHBondContact OG-O 3.47Å; D412-S512 PolarHBondContact OD1-N 3.2Å; R509-S512 PolarHBondContact O-OG 2.93Å; R509-S512 VanDerWaalsContact O-OG 3.05Å
513T79.1Confident78.9Confident93 Ų9354.7 Ų54.757%0.57128%0.276SS*.THydrogen-bonded Turntrans-80.4-18.8170.349.80000114.1F511F511-T513 PolarHBondContact O-N 3.39Å
514D88.5Confident79.8Confident3 Ų353.2 Ų53.22%0.01627%0.272CS..  trans-70135.9178.7-71.73.8000109.8L450 C451 T452 A453 C455 F499 R501 F511L450-D514 CarbonylContact O-C 3.47Å; L450-D514 VanDerWaalsContact O-CA 3.24Å; L450-D514 WeakPolarHBondContact O-CA 3.37Å; C451-D514 VanDerWaalsContact CA-CG 3.48Å; C451-D514 WeakPolarHBondContact CA-OD2 3.39Å; T452-D514 WeakPolarHBondContact CB-OD1 3.45Å; T452-D514 PolarHBondContact N-OD1 2.8Å; T452-D514 PolarHBondContact N-OD2 3.24Å; T452-D514 VanDerWaalsContact OG1-CG 3.32Å; T452-D514 PolarHBondContact OG1-OD1 2.03Å; T452-D514 PolarHBondContact OG1-OD2 3.4Å; A453-D514 PolarHBondContact N-OD2 3.25Å; C455-D514 PolarHBondContact SG-OD2 2.92Å; C455-D514 VanDerWaalsContact SG-OD2 3.35Å; F499-D514 HydrophobicContact CZ-CB 4.43Å; R501-D514 HydrophobicContact CG-CB 4.15Å; R501-D514 VanDerWaalsContact CZ-O 3.24Å; R501-D514 PolarHBondContact NE-O 2.86Å; R501-D514 PolarHBondContact NH2-O 3.41Å; F511-D514 VanDerWaalsContact O-CB 3.25Å; F511-D514 WeakPolarHBondContact O-CB 3.42Å; F511-D514 PolarHBondContact O-N 2.94Å
515A90.4Very high80.8Confident11 Ų1148.3 Ų48.39%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-153.7141.4-172.600000113.6T406 L450T406-A515 WeakPolarHBondContact OG1-CA 3.48Å; T406-A515 WeakPolarHBondContact OG1-CB 3.23Å; L450-A515 PolarHBondContact N-O 2.9Å; L450-A515 PolarHBondContact O-N 3.41Å
516A93.6Very high82.3Confident0 Ų043.3 Ų43.30%023%0.226CC..EExtended strand (participates in β ladder)trans-88.9145.2159.800000110.1W397 Y405 T406 T449 F457 F499W397-A516 HydrophobicContact CH2-CB 3.77Å; W397-A516 HydrophobicContact CZ2-CB 4.26Å; Y405-A516 WeakPolarHBondContact CA-O 3.25Å; T406-A516 HydrophobicContact CG2-CB 3.99Å; T406-A516 PolarHBondContact N-O 3.03Å; T406-A516 PolarHBondContact OG1-N 3.17Å; T406-A516 PolarHBondContact OG1-O 3.13Å; T449-A516 HydrophobicContact CG2-CB 4.26Å; F457-A516 HydrophobicContact CD2-CB 3.78Å; F457-A516 HydrophobicContact CE2-CB 3.84Å; F457-A516 HydrophobicContact CG-CB 4.4Å; F499-A516 HydrophobicContact CB-CB 4Å; F499-A516 HydrophobicContact CD1-CB 4.31Å; F499-A516 HydrophobicContact CD2-CB 3.66Å; F499-A516 HydrophobicContact CE2-CB 4.13Å; F499-A516 HydrophobicContact CG-CB 3.74Å
517K94.6Very high83.6Confident26 Ų2645.7 Ų45.711%0.11324%0.235CC..EExtended strand (participates in β ladder)trans-131.2140.9171.9-62.8168.6-176.61680110.2Y403 I404 F447 E448Y403-K517 HydrophobicContact CD2-CB 4.06Å; Y403-K517 HydrophobicContact CD2-CD 3.82Å; Y403-K517 HydrophobicContact CD2-CG 3.77Å; Y403-K517 HydrophobicContact CE2-CD 3.69Å; Y403-K517 HydrophobicContact CE2-CG 3.91Å; Y403-K517 HydrophobicContact CG-CB 4.49Å; Y403-K517 HydrophobicContact CG-CD 4.34Å; I404-K517 CarbonylContact O-C 3.52Å; I404-K517 VanDerWaalsContact O-CA 3.25Å; I404-K517 WeakPolarHBondContact O-CA 3.26Å; F447-K517 CarbonylContact C-O 3.59Å; F447-K517 WeakPolarHBondContact CA-O 3.39Å; F447-K517 VanDerWaalsContact CB-O 3.23Å; F447-K517 WeakPolarHBondContact CB-O 3.44Å; E448-K517 HydrophobicContact CG-CB 4.06Å; E448-K517 HydrophobicContact CG-CD 3.89Å; E448-K517 HydrophobicContact CG-CG 4.44Å; E448-K517 PolarHBondContact N-O 2.92Å; E448-K517 PolarHBondContact O-N 3.31Å; E448-K517 VanDerWaalsContact OE1-CD 3.29Å; E448-K517 WeakPolarHBondContact OE1-CD 2.97Å; E448-K517 WeakPolarHBondContact OE1-CE 3.5Å; E448-K517 IonicContact OE1-NZ 2.68Å; E448-K517 PolarHBondContact OE1-NZ 2.81Å
518I96.1Very high84.9Confident0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-118.4121.8171.3-56.2168.2000108.1W397 Y403 I404 L418 F445 I446 F447 F457 W497 I521W397-I518 HydrophobicContact CH2-CD1 3.75Å; W397-I518 HydrophobicContact CH2-CG1 3.93Å; W397-I518 HydrophobicContact CZ3-CD1 3.84Å; W397-I518 HydrophobicContact CZ3-CG1 3.85Å; Y403-I518 WeakPolarHBondContact CA-O 3.37Å; Y403-I518 WeakPolarHBondContact CB-O 3.39Å; I404-I518 HydrophobicContact CD1-CB 4.25Å; I404-I518 HydrophobicContact CG1-CB 3.94Å; I404-I518 WeakPolarHBondContact CG1-O 3.33Å; I404-I518 PolarHBondContact N-O 2.73Å; I404-I518 PolarHBondContact O-N 3.31Å; L418-I518 HydrophobicContact CD2-CD1 3.89Å; F445-I518 HydrophobicContact CB-CG2 4.44Å; I446-I518 CarbonylContact O-C 3.51Å; I446-I518 WeakPolarHBondContact O-CA 3.25Å; F447-I518 HydrophobicContact CB-CG1 4.16Å; F457-I518 HydrophobicContact CZ-CD1 4.26Å; F457-I518 HydrophobicContact CZ-CG1 4.35Å; W497-I518 HydrophobicContact CB-CD1 4.12Å; W497-I518 HydrophobicContact CD2-CD1 3.91Å; W497-I518 HydrophobicContact CG-CD1 3.69Å; I518-I521 HydrophobicContact CG2-CD1 4.05Å; I518-I521 HydrophobicContact CG2-CG1 3.62Å
519Y94.6Very high86.1Confident36 Ų3635.1 Ų35.114%0.14120%0.197CC..EExtended strand (participates in β ladder)trans-86.5-37.7-178.2-74.3-81.8000112.6W372 E402 Y403 I446 E448 K480W372-Y519 PolarHBondContact NE1-O 3.05Å; E402-Y519 WeakPolarHBondContact O-CD1 3.43Å; Y403-Y519 HydrophobicContact CD1-CD1 4.16Å; Y403-Y519 AromaticContact CD1-CE1 3.62Å; Y403-Y519 HydrophobicContact CD1-CE1 3.62Å; Y403-Y519 HydrophobicContact CE1-CE1 4.45Å; Y403-Y519 HydrophobicContact CG-CD1 4.39Å; Y403-Y519 HydrophobicContact CG-CE1 4.12Å; I446-Y519 HydrophobicContact CG2-CD2 4.43Å; I446-Y519 PolarHBondContact O-N 3.48Å; E448-Y519 HydrophobicContact CB-CE2 4.47Å; E448-Y519 HydrophobicContact CG-CE2 3.89Å; E448-Y519 PolarHBondContact OE1-OH 3.4Å; E448-Y519 PolarHBondContact OE2-OH 2.9Å; K480-Y519 HydrophobicContact CD-CD2 3.76Å; K480-Y519 HydrophobicContact CD-CE2 3.54Å; K480-Y519 HydrophobicContact CD-CG 4.4Å; K480-Y519 HydrophobicContact CG-CD2 4.06Å; K480-Y519 HydrophobicContact CG-CE2 3.99Å
520S94.3Very high87.1Confident23 Ų2332.5 Ų32.516%0.16119%0.188CC..EExtended strand (participates in β ladder)trans-155.4148.6179.761.20000111.8Y369 F445 I446Y369-S520 CarbonylContact O-C 3.57Å; Y369-S520 WeakPolarHBondContact O-CA 3.46Å; Y369-S520 WeakPolarHBondContact O-CB 3.47Å; F445-S520 CarbonylContact C-O 3.52Å; F445-S520 WeakPolarHBondContact CA-O 3.32Å; F445-S520 WeakPolarHBondContact CB-O 3.33Å; I446-S520 PolarHBondContact N-O 2.91Å
521I95.2Very high87.8Confident1 Ų127.6 Ų27.61%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-132.5126.2174.4-53.4176.2000107.8Y369 W372 M379 L420 I443 F445 W497 I518 V523Y369-I521 HydrophobicContact CD2-CB 4.47Å; Y369-I521 PolarHBondContact N-O 3.28Å; Y369-I521 PolarHBondContact O-N 2.91Å; W372-I521 HydrophobicContact CH2-CD1 3.93Å; W372-I521 HydrophobicContact CH2-CG1 4.2Å; W372-I521 HydrophobicContact CZ2-CD1 4.42Å; W372-I521 HydrophobicContact CZ2-CG1 4.25Å; M379-I521 HydrophobicContact CE-CD1 3.51Å; L420-I521 HydrophobicContact CD2-CG2 4.03Å; I443-I521 HydrophobicContact CD1-CG2 4.11Å; I443-I521 HydrophobicContact CG1-CG2 4.34Å; F445-I521 HydrophobicContact CB-CG1 4.11Å; W497-I521 HydrophobicContact CH2-CD1 3.72Å; W497-I521 HydrophobicContact CH2-CG2 4.08Å; W497-I521 HydrophobicContact CZ2-CD1 4.03Å; W497-I521 HydrophobicContact CZ2-CG1 4.49Å; W497-I521 HydrophobicContact CZ2-CG2 4.27Å; W497-I521 HydrophobicContact CZ3-CD1 4.04Å; I518-I521 HydrophobicContact CG2-CD1 4.05Å; I518-I521 HydrophobicContact CG2-CG1 3.62Å; I521-V523 HydrophobicContact CG2-CG2 4.31Å
522H92.6Very high88.2Confident75 Ų7526.3 Ų26.335%0.34716%0.16SC..EExtended strand (participates in β ladder)trans-123.9127.3177.9-179.8-142.4000109.2F367 I443 T444F367-H522 CarbonylContact O-C 3.51Å; F367-H522 VanDerWaalsContact O-CA 3.28Å; F367-H522 WeakPolarHBondContact O-CA 3.38Å; I443-H522 CarbonylContact C-O 3.55Å; I443-H522 WeakPolarHBondContact CA-O 3.32Å; T444-H522 PolarHBondContact N-O 2.68Å; T444-H522 PolarHBondContact O-N 2.87Å
523V92.3Very high88.7Confident0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-128.8123.8177.1-170.20000108.8G366 F367 L420 Y425 R442 I443 F495 I521 V526G366-V523 CarbonylContact C-O 3.56Å; G366-V523 WeakPolarHBondContact CA-O 3.22Å; F367-V523 PolarHBondContact N-O 3.22Å; F367-V523 PolarHBondContact O-N 3.02Å; L420-V523 HydrophobicContact CD2-CG2 4.14Å; Y425-V523 HydrophobicContact CE1-CG1 4.05Å; R442-V523 WeakPolarHBondContact O-CA 3.42Å; I443-V523 HydrophobicContact CB-CG2 4.3Å; I443-V523 HydrophobicContact CD1-CG2 3.91Å; I443-V523 HydrophobicContact CG1-CG2 3.92Å; F495-V523 HydrophobicContact CE2-CG1 4.32Å; I521-V523 HydrophobicContact CG2-CG2 4.31Å; V523-V526 HydrophobicContact CB-CG2 4.15Å; V523-V526 HydrophobicContact CG1-CG2 3.68Å
524T88.9Confident88.8Confident45 Ų4528.7 Ų28.728%0.27617%0.167SC..EExtended strand (participates in β ladder)trans-92.7161.2-175.962.20000113.5S441 R442 V526S441-T524 VanDerWaalsContact CB-O 3.28Å; S441-T524 WeakPolarHBondContact CB-O 3.19Å; S441-T524 PolarHBondContact OG-O 2.79Å; R442-T524 PolarHBondContact N-OG1 2.97Å; R442-T524 PolarHBondContact O-N 2.71Å; R442-T524 PolarHBondContact O-OG1 3.19Å; T524-V526 PolarHBondContact O-N 2.85Å
525N85.5Confident88.2Confident51 Ų5134.3 Ų34.327%0.27319%0.188SC..SBendtrans56.138.4169-164.433.1000116.4L365 Y425 R426 L440L365-N525 CarbonylContact O-C 3.59Å; L365-N525 WeakPolarHBondContact O-CA 3.2Å; L365-N525 PolarHBondContact O-N 2.86Å; Y425-N525 VanDerWaalsContact CA-O 3.32Å; Y425-N525 WeakPolarHBondContact CA-O 3.44Å; R426-N525 WeakPolarHBondContact CB-OD1 3.48Å; R426-N525 PolarHBondContact N-O 2.9Å; R426-N525 VanDerWaalsContact N-O 3.14Å; R426-N525 PolarHBondContact O-ND2 2.89Å; L440-N525 WeakPolarHBondContact O-CB 3.45Å; L440-N525 PolarHBondContact O-ND2 2.96Å
526V87.6Confident87.3Confident0 Ų040 Ų400%021%0.207CC..BIsolated β-bridgetrans-86.2136-172.4178.40000112.7L365 F367 V422 Y425 V523 T524 G528 G529L365-V526 PolarHBondContact O-N 2.81Å; L365-V526 VanDerWaalsContact O-N 3.08Å; F367-V526 HydrophobicContact CD2-CG1 4.16Å; F367-V526 HydrophobicContact CD2-CG2 4.31Å; F367-V526 HydrophobicContact CE2-CG1 3.66Å; F367-V526 HydrophobicContact CZ-CG1 4.06Å; V422-V526 HydrophobicContact CG1-CB 4.43Å; V422-V526 HydrophobicContact CG1-CG1 3.7Å; V422-V526 HydrophobicContact CG1-CG2 3.92Å; Y425-V526 HydrophobicContact CD1-CG2 4.36Å; Y425-V526 HydrophobicContact CE1-CG2 4.18Å; V523-V526 HydrophobicContact CB-CG2 4.15Å; V523-V526 HydrophobicContact CG1-CG2 3.68Å; T524-V526 PolarHBondContact O-N 2.85Å; V526-G528 PolarHBondContact O-N 3.01Å; V526-G529 PolarHBondContact O-N 2.86Å
527I84.7Confident86.1Confident81 Ų8140.5 Ų40.542%0.41521%0.21SC..THydrogen-bonded Turntrans-70.2122.2168.8-65174000109.1P423 G424 R426 G529P423-I527 VanDerWaalsContact CG-O 3.24Å; P423-I527 WeakPolarHBondContact CG-O 3.48Å; G424-I527 PolarHBondContact O-N 2.83Å; R426-I527 HydrophobicContact CG-CG1 3.92Å; I527-G529 PolarHBondContact O-N 2.85Å
528G78.4Confident84.6Confident58 Ų5839.9 Ų39.960%0.59821%0.21SC*.THydrogen-bonded Turntrans71.514.9-17400000113.9V526V526-G528 PolarHBondContact O-N 3.01Å
529G82.6Confident83Confident4 Ų443.8 Ų43.84%0.04123%0.234CC..  trans-70.5173.3165.200000112.2G366 V526 I527G366-G529 CarbonylContact O-C 3.59Å; G366-G529 VanDerWaalsContact O-CA 3.25Å; G366-G529 WeakPolarHBondContact O-CA 3.34Å; V526-G529 PolarHBondContact O-N 2.86Å; I527-G529 PolarHBondContact O-N 2.85Å
530V87.9Confident81.1Confident11 Ų1145.2 Ų45.27%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-112.2165.3176.4-65.60000110.7G331 F332 P342 L365 G366G331-V530 WeakPolarHBondContact O-CB 3.34Å; F332-V530 HydrophobicContact CD2-CG2 3.99Å; F332-V530 HydrophobicContact CE2-CG1 4.25Å; F332-V530 HydrophobicContact CE2-CG2 3.62Å; F332-V530 HydrophobicContact CZ-CG1 4.29Å; F332-V530 HydrophobicContact CZ-CG2 4.36Å; P342-V530 HydrophobicContact CB-CG1 3.49Å; P342-V530 VanDerWaalsContact CB-CG1 3.49Å; L365-V530 WeakPolarHBondContact CA-O 3.13Å; G366-V530 PolarHBondContact N-O 2.9Å; G366-V530 PolarHBondContact O-N 2.03Å
531A86.1Confident79.2Confident1 Ų149.9 Ų49.91%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-108.3121.1-179.900000112.9G331 Y348 S349 P363 L364 L365G331-A531 WeakPolarHBondContact CA-O 3.41Å; Y348-A531 VanDerWaalsContact CA-O 3.22Å; Y348-A531 WeakPolarHBondContact CA-O 3.36Å; S349-A531 PolarHBondContact N-O 3.24Å; S349-A531 VanDerWaalsContact N-O 3.15Å; P363-A531 HydrophobicContact CB-CB 3.37Å; L364-A531 WeakPolarHBondContact O-CA 3.23Å; L365-A531 HydrophobicContact CD2-CB 4.1Å
532S84.8Confident77.1Confident30 Ų3057 Ų5721%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-81.2-31.3167.951.70000112.6E368E368-S532 WeakPolarHBondContact OE2-CB 3.22Å; E368-S532 PolarHBondContact OE2-OG 3.05Å
533E84.6Confident74.9Confident117 Ų11760.9 Ų60.955%0.54733%0.33SS..EExtended strand (participates in β ladder)trans-145.2166178.165.7-177.7-179.400111.8L364L364-E533 HydrophobicContact CB-CG 4.47Å; L364-E533 HydrophobicContact CD1-CG 3.95Å; L364-E533 WeakPolarHBondContact CD1-OE1 3.38Å; L364-E533 PolarHBondContact N-O 2.72Å
534C82.5Confident72.7Confident29 Ų2968.2 Ų68.220%0.19638%0.375CS..EExtended strand (participates in β ladder)trans-110.6125.3172.6-45.50000109.9Y348 C357 T361 E362Y348-C534 WeakPolarHBondContact CD1-SG 3.35Å; Y348-C534 VanDerWaalsContact CG-SG 3.59Å; C357-C534 WeakPolarHBondContact CA-SG 3.44Å; C357-C534 HydrophobicContact CB-CB 3.81Å; C357-C534 WeakPolarHBondContact CB-SG 3.25Å; C357-C534 WeakPolarHBondContact SG-CB 3.23Å; C357-C534 CovalentContact SG-SG 2.04Å; C357-C534 PolarHBondContact SG-SG 3.27Å; T361-C534 WeakPolarHBondContact OG1-CB 2.99Å; E362-C534 CarbonylContact O-C 3.54Å; E362-C534 WeakPolarHBondContact O-CA 3.18Å
535R75.6Confident70.5Confident122 Ų12272.2 Ų72.246%0.4640%0.395SS..EExtended strand (participates in β ladder)trans-81.8149.9170.166.6164.8172.9-131.8-2.7110.2T361 E362 L364T361-R535 CarbonylContact C-O 3.44Å; T361-R535 WeakPolarHBondContact CA-O 3.27Å; T361-R535 WeakPolarHBondContact CB-O 3.32Å; E362-R535 HydrophobicContact CG-CG 3.83Å; E362-R535 PolarHBondContact N-O 3.43Å; E362-R535 PolarHBondContact O-N 3.41Å; E362-R535 IonicContact OE1-CZ 3.15Å; E362-R535 IonicContact OE1-NE 2.73Å; E362-R535 PolarHBondContact OE1-NE 3.15Å; E362-R535 IonicContact OE1-NH2 2.71Å; E362-R535 PolarHBondContact OE1-NH2 2.86Å; L364-R535 HydrophobicContact CD1-CB 4.25Å; L364-R535 HydrophobicContact CD2-CB 4.13Å; L364-R535 HydrophobicContact CD2-CG 3.68Å; L364-R535 HydrophobicContact CG-CB 4.03Å; L364-R535 HydrophobicContact CG-CG 4.03Å
536R71.1Confident68.9Low131 Ų13174 Ų7449%0.49441%0.411SS..EExtended strand (participates in β ladder)trans-65.2151.2165.9-72176.3-179.8-136.83.7110.6G360 T361 M557 A560G360-R536 WeakPolarHBondContact O-CA 3.23Å; T361-R536 HydrophobicContact CG2-CG 3.88Å; R536-M557 HydrophobicContact CB-CE 3.81Å; R536-M557 HydrophobicContact CB-SD 3.95Å; R536-M557 WeakPolarHBondContact O-CE 3.23Å; R536-A560 VanDerWaalsContact NH1-C 3.33Å; R536-A560 PolarHBondContact NH1-O 3.24Å
537C67.4Low67.2Low10 Ų1078 Ų787%0.06844%0.439CS..  trans-134.9166.9177.369.70000109.9G360 E362 V539 C548G360-C537 PolarHBondContact O-N 2.93Å; G360-C537 VanDerWaalsContact O-N 3.12Å; E362-C537 HydrophobicContact CG-CB 4.25Å; C537-V539 PolarHBondContact O-N 3.02Å; C537-C548 HydrophobicContact CB-CB 3.38Å; C537-C548 WeakPolarHBondContact CB-SG 3.38Å; C537-C548 WeakPolarHBondContact SG-CA 3.35Å; C537-C548 WeakPolarHBondContact SG-CB 3.36Å; C537-C548 CovalentContact SG-SG 2.03Å; C537-C548 PolarHBondContact SG-SG 2.86Å
538A64.9Low66Low12 Ų1275.9 Ų75.910%0.09943%0.431CS..BIsolated β-bridgetrans-74.1130.5174.200000110.3V549 C564A538-V549 WeakPolarHBondContact CB-O 3.19Å; A538-V549 PolarHBondContact N-O 2.82Å; A538-V549 PolarHBondContact O-N 3.34Å; A538-C564 WeakPolarHBondContact CB-SG 3.42Å
539V60.5Low65.2Low83 Ų8375.9 Ų75.950%0.50342%0.419SS..  trans-106.7120.5174.7-176.10000108.2G360 C537G360-V539 VanDerWaalsContact CA-CG2 3.48Å; C537-V539 PolarHBondContact O-N 3.02Å
540T55.7Low64.4Low65 Ų6580.1 Ų80.140%0.39945%0.446SS..  trans-75.4134.1172.6550000110.2D542T540-D542 VanDerWaalsContact C-N 3.26Å; T540-D542 PolarHBondContact O-N 2.89Å
541P53.5Low63.6Low122 Ų12281.1 Ų81.179%0.79245%0.453SS*.THydrogen-bonded Turntrans-68.6-20.4-172.727.3-35.5000114.5
542D52.4Low63.1Low150 Ų15084.3 Ų84.380%0.80247%0.474SS*.THydrogen-bonded Turntrans-99.110.9-167.6-63.6-50.9000115.4T540T540-D542 VanDerWaalsContact C-N 3.26Å; T540-D542 PolarHBondContact O-N 2.89Å
543K46.1Very low62.6Low157 Ų15786 Ų8668%0.68348%0.484SS*.  trans-135.3133.3178.1-70.9-170.1178.4-1790113.6D545K543-D545 VanDerWaalsContact C-N 3.32Å
544T45.4Very low62.1Low153 Ų15380.5 Ų80.594%0.93946%0.459SS*.SBendtrans-78.2-12.9175.449.70000113.8S546T544-S546 PolarHBondContact O-N 2.94Å
545D44.4Very low62.1Low130 Ų13082 Ų8270%0.69546%0.463SS*.SBendtrans-79.8110.8167.4-84.9-40.7000109.4K543 S547K543-D545 VanDerWaalsContact C-N 3.32Å; D545-S547 PolarHBondContact O-N 3.48Å
546S49.9Very low62.3Low88 Ų8877.5 Ų77.562%0.61545%0.446SS*.  trans-79.252.7-178.664.70000112.6T544T544-S546 PolarHBondContact O-N 2.94Å
547S52.3Low62.5Low83 Ų8372.1 Ų72.158%0.5843%0.427SS*.  trans-79.7129170.362.10000110.2D545 V549D545-S547 PolarHBondContact O-N 3.48Å; S547-V549 PolarHBondContact O-N 2.89Å
548C59.7Low62.9Low37 Ų3772.9 Ų72.925%0.2543%0.431CS..  trans-69125.1175.8-77.20000110.6T361 E362 C537T361-C548 VanDerWaalsContact C-SG 3.58Å; E362-C548 HydrophobicContact CB-CB 4.01Å; E362-C548 VanDerWaalsContact CB-SG 3.53Å; E362-C548 HydrophobicContact CG-CB 4.13Å; C537-C548 HydrophobicContact CB-CB 3.38Å; C537-C548 WeakPolarHBondContact CB-SG 3.38Å; C537-C548 WeakPolarHBondContact SG-CA 3.35Å; C537-C548 WeakPolarHBondContact SG-CB 3.36Å; C537-C548 CovalentContact SG-SG 2.03Å; C537-C548 PolarHBondContact SG-SG 2.86Å
549V62.7Low63Low59 Ų5978.2 Ų78.236%0.35846%0.458SS..BIsolated β-bridgetrans-110.2137.5174.1-169.40000107.5A538 S547A538-V549 WeakPolarHBondContact CB-O 3.19Å; A538-V549 PolarHBondContact N-O 2.82Å; A538-V549 PolarHBondContact O-N 3.34Å; S547-V549 PolarHBondContact O-N 2.89Å
550P64.3Low63.2Low93 Ų9377.8 Ų77.860%0.60446%0.463SS*.PPolyproline II helixtrans-64.2149.7169.227.7-34.5000110.3
551C71.2Confident63.8Low32 Ų3279.3 Ų79.322%0.21647%0.472CS..PPolyproline II helixtrans-57.8145.1170.8-760000110.8H555 C564C551-H555 HydrophobicContact CB-CB 4.19Å; C551-H555 WeakPolarHBondContact CB-O 3.41Å; C551-C564 WeakPolarHBondContact CA-SG 3.5Å; C551-C564 HydrophobicContact CB-CB 3.81Å; C551-C564 WeakPolarHBondContact CB-SG 3.29Å; C551-C564 WeakPolarHBondContact SG-CB 3.34Å; C551-C564 CovalentContact SG-SG 2.04Å; C551-C564 PolarHBondContact SG-SG 3.43Å
552P75.7Confident64.3Low68 Ų6874 Ų7444%0.44244%0.44SS..PPolyproline II helixtrans-59.7150.2176.124-31.9000110.6G554 H555P552-G554 PolarHBondContact O-N 2.85Å; P552-H555 HydrophobicContact CG-CB 4.19Å; P552-H555 WeakPolarHBondContact O-CB 3.41Å; P552-H555 PolarHBondContact O-N 3.19Å; P552-H555 PolarHBondContact O-ND1 3.46Å
553P74.5Confident65.3Low64 Ų6469.2 Ų69.242%0.41642%0.421SS..THydrogen-bonded Turntrans-47.1134.8-178.8-31.136.4000112.7H555 Y597P553-H555 VanDerWaalsContact C-N 3.34Å; P553-H555 PolarHBondContact O-ND1 3.4Å; P553-H555 VanDerWaalsContact O-ND1 3.12Å; P553-Y597 HydrophobicContact CB-CD2 3.95Å; P553-Y597 HydrophobicContact CB-CE2 4.49Å
554G74.9Confident66.9Low2 Ų263.7 Ų63.72%0.02140%0.401CS..THydrogen-bonded Turntrans78.59.3-177.500000116.4P552 C567 Y597P552-G554 PolarHBondContact O-N 2.85Å; G554-C567 WeakPolarHBondContact O-CB 3.36Å; G554-C567 PolarHBondContact O-N 2.76Å; G554-Y597 VanDerWaalsContact CA-CE1 3.42Å
555H81.4Confident68.7Low60 Ų6061 Ų6128%0.27838%0.378SS..EExtended strand (participates in β ladder)trans-115.2133.2174.2-59.861.9000111.6C551 P552 P553 C564 E565 S566 I573C551-H555 HydrophobicContact CB-CB 4.19Å; C551-H555 WeakPolarHBondContact CB-O 3.41Å; P552-H555 HydrophobicContact CG-CB 4.19Å; P552-H555 WeakPolarHBondContact O-CB 3.41Å; P552-H555 PolarHBondContact O-N 3.19Å; P552-H555 PolarHBondContact O-ND1 3.46Å; P553-H555 VanDerWaalsContact C-N 3.34Å; P553-H555 PolarHBondContact O-ND1 3.4Å; P553-H555 VanDerWaalsContact O-ND1 3.12Å; H555-C564 HydrophobicContact CB-CB 3.96Å; H555-E565 CarbonylContact C-O 3.41Å; H555-E565 WeakPolarHBondContact CA-O 3.23Å; H555-E565 WeakPolarHBondContact CB-O 3.28Å; H555-S566 PolarHBondContact CD2-N 3.09Å; H555-S566 VanDerWaalsContact CD2-N 3.35Å; H555-I573 WeakPolarHBondContact O-CD1 3.09Å
556Y79.7Confident70.7Confident28 Ų2858.6 Ų58.611%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-94.1152.7174.975-83.7000110.5V558 C564 E565 G580 E581 C584Y556-V558 HydrophobicContact CE2-CG2 3.94Å; Y556-C564 WeakPolarHBondContact O-CA 3.42Å; Y556-E565 HydrophobicContact CD1-CB 4.16Å; Y556-E565 WeakPolarHBondContact CD1-O 3.48Å; Y556-E565 HydrophobicContact CE1-CB 3.53Å; Y556-E565 PolarHBondContact N-O 3.24Å; Y556-E565 PolarHBondContact O-N 2.94Å; Y556-E565 PolarHBondContact OH-OE2 3.33Å; Y556-G580 WeakPolarHBondContact CD2-O 3.22Å; Y556-E581 HydrophobicContact CE2-CB 4.47Å; Y556-C584 VanDerWaalsContact CD1-SG 3.57Å
557M75.3Confident72.4Confident19 Ų1955 Ų559%0.09435%0.346CS..EExtended strand (participates in β ladder)trans-84.4121175.4-174.5175.453.400110.3R536 A563 P578 V579 G580R536-M557 HydrophobicContact CB-CE 3.81Å; R536-M557 HydrophobicContact CB-SD 3.95Å; R536-M557 WeakPolarHBondContact O-CE 3.23Å; M557-A563 WeakPolarHBondContact CA-O 3.05Å; M557-P578 PolarHBondContact N-O 2.9Å; M557-V579 HydrophobicContact CE-CG1 4.28Å; M557-V579 HydrophobicContact CE-CG2 3.66Å; M557-G580 PolarHBondContact O-N 3.14Å
558V75.9Confident74.1Confident26 Ų2653 Ų5316%0.15833%0.332CS..PPolyproline II helixtrans-69.3131.4178.2-179.10000110.1Y556 T561 G562 A563 E565Y556-V558 HydrophobicContact CE2-CG2 3.94Å; V558-T561 WeakPolarHBondContact CB-OG1 3.49Å; V558-T561 WeakPolarHBondContact CG1-OG1 3.06Å; V558-G562 PolarHBondContact O-N 2.95Å; V558-G562 VanDerWaalsContact O-N 3.09Å; V558-A563 PolarHBondContact N-O 2.8Å; V558-E565 HydrophobicContact CG2-CB 3.75Å; V558-E565 HydrophobicContact CG2-CG 3.49Å; V558-E565 VanDerWaalsContact CG2-CG 3.49Å
559N66.5Low75.4Confident123 Ų12356.5 Ų56.566%0.65835%0.354SS*.THydrogen-bonded Turntrans-64.1151.3178.8-163.82.6000110.8T561N559-T561 PolarHBondContact O-N 3.4Å
560A65.1Low76.5Confident74 Ų7456.4 Ų56.461%0.61235%0.351SS*.THydrogen-bonded Turntrans61.9-33.8-171.800000117.4R536R536-A560 VanDerWaalsContact NH1-C 3.33Å; R536-A560 PolarHBondContact NH1-O 3.24Å
561T68.9Low77.6Confident98 Ų9852 Ų5260%0.60132%0.323SS*.THydrogen-bonded Turntrans-94.9-33.4-176.463.10000114.6V558 N559 A563V558-T561 WeakPolarHBondContact CB-OG1 3.49Å; V558-T561 WeakPolarHBondContact CG1-OG1 3.06Å; N559-T561 PolarHBondContact O-N 3.4Å; T561-A563 PolarHBondContact O-N 3.46Å; T561-A563 PolarHBondContact OG1-N 2.96Å
562G64.9Low78.2Confident10 Ų1053.1 Ų53.110%0.10332%0.323CS..  trans73.88.9-172.700000114.4V558V558-G562 PolarHBondContact O-N 2.95Å; V558-G562 VanDerWaalsContact O-N 3.09Å
563A72.7Confident78.2Confident49 Ų4950.9 Ų50.941%0.40531%0.307SS..  trans-73.5151.5171.300000110.8M557 V558 T561M557-A563 WeakPolarHBondContact CA-O 3.05Å; V558-A563 PolarHBondContact N-O 2.8Å; T561-A563 PolarHBondContact O-N 3.46Å; T561-A563 PolarHBondContact OG1-N 2.96Å
564C78.9Confident77.9Confident41 Ų4153 Ų5328%0.27731%0.307SS..EExtended strand (participates in β ladder)trans-95.7116.2173.3-58.80000109.9A538 C551 H555 Y556A538-C564 WeakPolarHBondContact CB-SG 3.42Å; C551-C564 WeakPolarHBondContact CA-SG 3.5Å; C551-C564 HydrophobicContact CB-CB 3.81Å; C551-C564 WeakPolarHBondContact CB-SG 3.29Å; C551-C564 WeakPolarHBondContact SG-CB 3.34Å; C551-C564 CovalentContact SG-SG 2.04Å; C551-C564 PolarHBondContact SG-SG 3.43Å; H555-C564 HydrophobicContact CB-CB 3.96Å; Y556-C564 WeakPolarHBondContact O-CA 3.42Å
565E83.3Confident77.1Confident96 Ų9656.8 Ų56.845%0.44933%0.331SS..EExtended strand (participates in β ladder)trans-105.1142.6172.7-83.7178.9-164.200110.5H555 Y556 V558 C567H555-E565 CarbonylContact C-O 3.41Å; H555-E565 WeakPolarHBondContact CA-O 3.23Å; H555-E565 WeakPolarHBondContact CB-O 3.28Å; Y556-E565 HydrophobicContact CD1-CB 4.16Å; Y556-E565 WeakPolarHBondContact CD1-O 3.48Å; Y556-E565 HydrophobicContact CE1-CB 3.53Å; Y556-E565 PolarHBondContact N-O 3.24Å; Y556-E565 PolarHBondContact O-N 2.94Å; Y556-E565 PolarHBondContact OH-OE2 3.33Å; V558-E565 HydrophobicContact CG2-CB 3.75Å; V558-E565 HydrophobicContact CG2-CG 3.49Å; V558-E565 VanDerWaalsContact CG2-CG 3.49Å; E565-C567 PolarHBondContact O-N 2.65Å
566S86Confident75.8Confident81 Ų8157 Ų5757%0.56634%0.339SS*.EExtended strand (participates in β ladder)trans-65.3128177.256.20000110.6H555H555-S566 PolarHBondContact CD2-N 3.09Å; H555-S566 VanDerWaalsContact CD2-N 3.35Å
567C86.6Confident74.9Confident11 Ų1161.6 Ų61.67%0.07436%0.362CS..PPolyproline II helixtrans-60155.9169.4-73.30000111.5G554 E565 T571 I573 C584G554-C567 WeakPolarHBondContact O-CB 3.36Å; G554-C567 PolarHBondContact O-N 2.76Å; E565-C567 PolarHBondContact O-N 2.65Å; C567-T571 WeakPolarHBondContact CB-OG1 3.43Å; C567-I573 VanDerWaalsContact SG-CG1 3.58Å; C567-C584 VanDerWaalsContact CA-SG 3.53Å; C567-C584 HydrophobicContact CB-CB 3.61Å; C567-C584 WeakPolarHBondContact CB-SG 3.31Å; C567-C584 WeakPolarHBondContact SG-CB 3.33Å; C567-C584 CovalentContact SG-SG 2.03Å; C567-C584 PolarHBondContact SG-SG 3.35Å
568P87.6Confident74.4Confident42 Ų4263.5 Ų63.527%0.27338%0.375SS..PPolyproline II helixtrans-51.8158.3174.4-28.635.9000114.3T571P568-T571 HydrophobicContact CB-CG2 4.01Å; P568-T571 HydrophobicContact CG-CG2 4.46Å; P568-T571 WeakPolarHBondContact O-CG2 3.46Å; P568-T571 PolarHBondContact O-N 3Å; P568-T571 PolarHBondContact O-OG1 3.31Å
569P86.8Confident74.1Confident111 Ų11165.6 Ų65.672%0.72139%0.388SS*.THydrogen-bonded Turntrans-57.7147.7174.324.9-34.1000111.9T571 Q586P569-T571 VanDerWaalsContact C-N 3.31Å; P569-T571 PolarHBondContact O-N 3.28Å; P569-Q586 PolarHBondContact O-NE2 2.94Å; P569-Q586 PolarHBondContact O-OE1 3.11Å
570N86.9Confident74.5Confident56 Ų5660.7 Ų60.730%0.29937%0.366SS..THydrogen-bonded Turntrans57.124.6-175.2-149.734.2000118Q586 C587 T591 E592 R593N570-Q586 PolarHBondContact O-OE1 2.9Å; N570-C587 WeakPolarHBondContact O-CB 3.21Å; N570-C587 PolarHBondContact O-N 2.84Å; N570-T591 PolarHBondContact ND2-O 2.84Å; N570-E592 VanDerWaalsContact OD1-CA 3.31Å; N570-E592 WeakPolarHBondContact OD1-CA 3.41Å; N570-R593 PolarHBondContact OD1-N 2.82Å
571T86.3Confident75.1Confident1 Ų163.3 Ų63.31%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-95.5156.4170.162.70000113.9C567 P568 P569 C584 V585 Q586 R593C567-T571 WeakPolarHBondContact CB-OG1 3.43Å; P568-T571 HydrophobicContact CB-CG2 4.01Å; P568-T571 HydrophobicContact CG-CG2 4.46Å; P568-T571 WeakPolarHBondContact O-CG2 3.46Å; P568-T571 PolarHBondContact O-N 3Å; P568-T571 PolarHBondContact O-OG1 3.31Å; P569-T571 VanDerWaalsContact C-N 3.31Å; P569-T571 PolarHBondContact O-N 3.28Å; T571-C584 HydrophobicContact CG2-CB 4.11Å; T571-V585 CarbonylContact C-O 3.2Å; T571-V585 WeakPolarHBondContact CA-O 3.41Å; T571-V585 VanDerWaalsContact CB-O 3.31Å; T571-V585 WeakPolarHBondContact CB-O 3.31Å; T571-Q586 HydrophobicContact CG2-CG 4.1Å; T571-R593 VanDerWaalsContact O-CB 3.31Å; T571-R593 WeakPolarHBondContact O-CB 3.33Å; T571-R593 WeakPolarHBondContact O-CG 3.25Å
572Y84.2Confident75.5Confident55 Ų5563 Ų6322%0.21637%0.373CS..EExtended strand (participates in β ladder)trans-114.9163.6158.974.2-78.6000110.2R574 V585 Y597 C600Y572-R574 HydrophobicContact CE2-CG 4.45Å; Y572-V585 HydrophobicContact CD1-CB 4.06Å; Y572-V585 HydrophobicContact CD1-CG1 4.39Å; Y572-V585 VanDerWaalsContact CD1-O 3.31Å; Y572-V585 WeakPolarHBondContact CD1-O 3.4Å; Y572-V585 HydrophobicContact CE1-CB 3.59Å; Y572-V585 HydrophobicContact CE1-CG1 3.53Å; Y572-V585 HydrophobicContact CE2-CB 4.34Å; Y572-V585 PolarHBondContact N-O 2.87Å; Y572-V585 PolarHBondContact O-N 3.1Å; Y572-Y597 CarbonylContact C-O 3.59Å; Y572-Y597 WeakPolarHBondContact CA-O 3.43Å; Y572-Y597 WeakPolarHBondContact CB-O 3.17Å; Y572-C600 WeakPolarHBondContact CD1-SG 3.01Å; Y572-C600 VanDerWaalsContact CE1-SG 3.57Å
573I76.4Confident76.2Confident22 Ų2262.5 Ų62.511%0.11337%0.368CS..EExtended strand (participates in β ladder)trans-104.8135.3-179.9-69.2168.6000110.4H555 C567 P575 A583 Y597H555-I573 WeakPolarHBondContact O-CD1 3.09Å; C567-I573 VanDerWaalsContact SG-CG1 3.58Å; I573-P575 WeakPolarHBondContact O-CD 3.34Å; I573-A583 WeakPolarHBondContact CA-O 3.5Å; I573-Y597 PolarHBondContact N-O 2.7Å
574R67.1Low76.8Confident109 Ų10961 Ų6141%0.41136%0.355SS..  trans-76.8116.9167.9-76.5-179.2-179.8155.58.8110.4Y572 S576 Q577 A583 V585Y572-R574 HydrophobicContact CE2-CG 4.45Å; R574-S576 PolarHBondContact O-N 3.41Å; R574-S576 VanDerWaalsContact O-N 3.1Å; R574-Q577 PolarHBondContact O-N 3.06Å; R574-Q577 VanDerWaalsContact O-N 3.14Å; R574-A583 PolarHBondContact N-O 2.99Å; R574-V585 HydrophobicContact CG-CG2 3.78Å
575P58.4Low77Confident80 Ų8060.1 Ų60.152%0.51935%0.348SS..THydrogen-bonded Turntrans-60.3-25.8-177.8-25.235.5000114.4I573I573-P575 WeakPolarHBondContact O-CD 3.34Å
576S54.8Low77.3Confident66 Ų6660.6 Ų60.646%0.46235%0.35SS..THydrogen-bonded Turntrans-77.4-15-179.249.80000114.7R574R574-S576 PolarHBondContact O-N 3.41Å; R574-S576 VanDerWaalsContact O-N 3.1Å
577Q59.8Low77.4Confident124 Ų12457.4 Ų57.458%0.57933%0.328SS*.  trans-14469.3-179.7-66.5-173.4-46.900112R574 V579 A583R574-Q577 PolarHBondContact O-N 3.06Å; R574-Q577 VanDerWaalsContact O-N 3.14Å; Q577-V579 PolarHBondContact O-N 3.48Å; Q577-V579 VanDerWaalsContact O-N 3.12Å; Q577-A583 WeakPolarHBondContact O-CA 3.4Å; Q577-A583 WeakPolarHBondContact O-CB 3.36Å
578P64.6Low77.4Confident58 Ų5858 Ų5838%0.37734%0.335SS..  trans-80.618.8-174.134.9-38.5000115.1M557M557-P578 PolarHBondContact N-O 2.9Å
579V70.3Confident77.5Confident71 Ų7158.4 Ų58.443%0.4334%0.338SS..BIsolated β-bridgetrans-122125.4-167.5-168.40000111.6M557 Q577M557-V579 HydrophobicContact CE-CG1 4.28Å; M557-V579 HydrophobicContact CE-CG2 3.66Å; Q577-V579 PolarHBondContact O-N 3.48Å; Q577-V579 VanDerWaalsContact O-N 3.12Å
580G75.1Confident77.5Confident19 Ų1956.4 Ų56.420%0.19632%0.321CS..SBendtrans74.7166.5-174.400000113.7Y556 M557 A582 A583Y556-G580 WeakPolarHBondContact CD2-O 3.22Å; M557-G580 PolarHBondContact O-N 3.14Å; G580-A582 PolarHBondContact O-N 2.96Å; G580-A582 VanDerWaalsContact O-N 3.11Å; G580-A583 WeakPolarHBondContact O-CB 3.25Å; G580-A583 PolarHBondContact O-N 2.91Å
581E78.6Confident77.6Confident130 Ų13053.9 Ų53.961%0.60731%0.308SS*.G310 helixtrans-57.3-29.3-175.5-171.7179.4-169.300113.1Y556 A583 C584Y556-E581 HydrophobicContact CE2-CB 4.47Å; E581-A583 PolarHBondContact O-N 3.1Å; E581-C584 VanDerWaalsContact O-CB 3.28Å; E581-C584 WeakPolarHBondContact O-CB 3.41Å; E581-C584 PolarHBondContact O-N 2.94Å
582A76.8Confident77.6Confident90 Ų9060.2 Ų60.274%0.74434%0.337SS*.G310 helixtrans-62.5-11.1175.100000114.8G580 C584G580-A582 PolarHBondContact O-N 2.96Å; G580-A582 VanDerWaalsContact O-N 3.11Å; A582-C584 VanDerWaalsContact C-N 3.27Å
583A78.4Confident77.7Confident1 Ų161.4 Ų61.41%0.00834%0.341CS..G310 helixtrans-65.8-30.6168.300000112.8I573 R574 Q577 G580 E581 V585I573-A583 WeakPolarHBondContact CA-O 3.5Å; R574-A583 PolarHBondContact N-O 2.99Å; Q577-A583 WeakPolarHBondContact O-CA 3.4Å; Q577-A583 WeakPolarHBondContact O-CB 3.36Å; G580-A583 WeakPolarHBondContact O-CB 3.25Å; G580-A583 PolarHBondContact O-N 2.91Å; E581-A583 PolarHBondContact O-N 3.1Å; A583-V585 PolarHBondContact O-N 3.02Å
584C85.3Confident77.9Confident18 Ų1860.6 Ų60.612%0.12234%0.337CS..EExtended strand (participates in β ladder)trans-86.4103.4-174.5-50.50000110Y556 C567 T571 E581 A582Y556-C584 VanDerWaalsContact CD1-SG 3.57Å; C567-C584 VanDerWaalsContact CA-SG 3.53Å; C567-C584 HydrophobicContact CB-CB 3.61Å; C567-C584 WeakPolarHBondContact CB-SG 3.31Å; C567-C584 WeakPolarHBondContact SG-CB 3.33Å; C567-C584 CovalentContact SG-SG 2.03Å; C567-C584 PolarHBondContact SG-SG 3.35Å; T571-C584 HydrophobicContact CG2-CB 4.11Å; E581-C584 VanDerWaalsContact O-CB 3.28Å; E581-C584 WeakPolarHBondContact O-CB 3.41Å; E581-C584 PolarHBondContact O-N 2.94Å; A582-C584 VanDerWaalsContact C-N 3.27Å
585V84.9Confident78.5Confident22 Ų2265.8 Ų65.813%0.13336%0.357CS..EExtended strand (participates in β ladder)trans-94.4125.3178.2-1750000109.2T571 Y572 R574 A583T571-V585 CarbonylContact C-O 3.2Å; T571-V585 WeakPolarHBondContact CA-O 3.41Å; T571-V585 VanDerWaalsContact CB-O 3.31Å; T571-V585 WeakPolarHBondContact CB-O 3.31Å; Y572-V585 HydrophobicContact CD1-CB 4.06Å; Y572-V585 HydrophobicContact CD1-CG1 4.39Å; Y572-V585 VanDerWaalsContact CD1-O 3.31Å; Y572-V585 WeakPolarHBondContact CD1-O 3.4Å; Y572-V585 HydrophobicContact CE1-CB 3.59Å; Y572-V585 HydrophobicContact CE1-CG1 3.53Å; Y572-V585 HydrophobicContact CE2-CB 4.34Å; Y572-V585 PolarHBondContact N-O 2.87Å; Y572-V585 PolarHBondContact O-N 3.1Å; R574-V585 HydrophobicContact CG-CG2 3.78Å; A583-V585 PolarHBondContact O-N 3.02Å
586Q88.4Confident79.2Confident106 Ų10663.9 Ų63.950%0.49535%0.348SS..EExtended strand (participates in β ladder)trans-63.5139.4173-82.4-66.3-15.400111.1P569 N570 T571P569-Q586 PolarHBondContact O-NE2 2.94Å; P569-Q586 PolarHBondContact O-OE1 3.11Å; N570-Q586 PolarHBondContact O-OE1 2.9Å; T571-Q586 HydrophobicContact CG2-CG 4.1Å
587C88.5Confident80.3Confident14 Ų1463.3 Ų63.310%0.09534%0.336CS..PPolyproline II helixtrans-71.5144.5170.7-770000111.4N570 C600N570-C587 WeakPolarHBondContact O-CB 3.21Å; N570-C587 PolarHBondContact O-N 2.84Å; C587-C600 WeakPolarHBondContact CA-SG 3.46Å; C587-C600 HydrophobicContact CB-CB 3.79Å; C587-C600 WeakPolarHBondContact CB-SG 3.49Å; C587-C600 VanDerWaalsContact SG-CA 3.6Å; C587-C600 WeakPolarHBondContact SG-CB 3.48Å; C587-C600 CovalentContact SG-SG 2.04Å; C587-C600 PolarHBondContact SG-SG 3.32Å
588G86.4Confident81Confident22 Ų2260.6 Ų60.623%0.22733%0.328CS..  trans-69.6175-179.200000113.4N590 T591 I704G588-N590 PolarHBondContact O-N 3.42Å; G588-T591 PolarHBondContact N-OG1 2.62Å; G588-T591 PolarHBondContact O-N 3.24Å; G588-T591 PolarHBondContact O-OG1 3.22Å; G588-I704 WeakPolarHBondContact CA-O 3.45Å
589P88.9Confident81.7Confident51 Ų5159.2 Ų59.233%0.33132%0.321SS..THydrogen-bonded Turntrans-54.3135.7-174.323.5-34.6000111.5T591 V706 L712P589-T591 PolarHBondContact O-N 3.22Å; P589-V706 CarbonylContact C-O 3.5Å; P589-V706 PolarHBondContact O-N 3.35Å; P589-V706 VanDerWaalsContact O-O 3.11Å; P589-L712 HydrophobicContact CG-CD1 4.21Å; P589-L712 HydrophobicContact CG-CD2 4.18Å
590N87.3Confident82.4Confident69 Ų6956.2 Ų56.237%0.36930%0.304SS..THydrogen-bonded Turntrans52.736179.9-58.4-83.5000114.8G588 F606 R607 V706G588-N590 PolarHBondContact O-N 3.42Å; N590-F606 HydrophobicContact CB-CD2 3.72Å; N590-F606 HydrophobicContact CB-CE2 4.15Å; N590-F606 WeakPolarHBondContact ND2-CE2 3.42Å; N590-R607 PolarHBondContact OD1-O 3.28Å; N590-V706 HydrophobicContact CB-CB 4.17Å; N590-V706 PolarHBondContact ND2-O 3.17Å; N590-V706 VanDerWaalsContact ND2-O 3.14Å
591T88.6Confident83Confident4 Ų456 Ų563%0.02530%0.298CS..  trans-127143.2168.361.50000111.2N570 G588 P589 L601 L703 V706N570-T591 PolarHBondContact ND2-O 2.84Å; G588-T591 PolarHBondContact N-OG1 2.62Å; G588-T591 PolarHBondContact O-N 3.24Å; G588-T591 PolarHBondContact O-OG1 3.22Å; P589-T591 PolarHBondContact O-N 3.22Å; T591-L601 CarbonylContact C-O 3.51Å; T591-L601 WeakPolarHBondContact CA-O 3.33Å; T591-L703 HydrophobicContact CG2-CD2 3.66Å; T591-L703 HydrophobicContact CG2-CG 4.11Å; T591-V706 HydrophobicContact CG2-CG2 4.37Å
592E87.4Confident83.4Confident133 Ų13349.9 Ų49.962%0.62127%0.27SS*.EExtended strand (participates in β ladder)trans-106.9141.9176.6-64.5-166.8153.200110.7N570 L601N570-E592 VanDerWaalsContact OD1-CA 3.31Å; N570-E592 WeakPolarHBondContact OD1-CA 3.41Å; E592-L601 PolarHBondContact N-O 3.28Å; E592-L601 PolarHBondContact O-N 3Å
593R85.1Confident83.9Confident81 Ų8147.5 Ų47.531%0.30624%0.244SC..EExtended strand (participates in β ladder)trans-65.2133.8173.168.295.3-168.7-73.65.3111.3N570 T571 Y597N570-R593 PolarHBondContact OD1-N 2.82Å; T571-R593 VanDerWaalsContact O-CB 3.31Å; T571-R593 WeakPolarHBondContact O-CB 3.33Å; T571-R593 WeakPolarHBondContact O-CG 3.25Å; R593-Y597 VanDerWaalsContact CZ-CZ 3.43Å; R593-Y597 PolarHBondContact NH2-OH 2.89Å
594N81.8Confident84.3Confident4 Ų447.7 Ų47.72%0.02125%0.245CC..  trans-69.5164.4-179.784-55.3000112.4A596 Y597 T598 A599 L601 E654N594-A596 PolarHBondContact O-N 3.5Å; N594-Y597 PolarHBondContact O-N 2.98Å; N594-Y597 PolarHBondContact OD1-N 2.81Å; N594-T598 PolarHBondContact ND2-OG1 2.93Å; N594-T598 VanDerWaalsContact ND2-OG1 3.15Å; N594-T598 PolarHBondContact OD1-N 3.19Å; N594-T598 PolarHBondContact OD1-OG1 3.31Å; N594-A599 WeakPolarHBondContact CB-O 3.18Å; N594-A599 PolarHBondContact N-O 2.98Å; N594-A599 PolarHBondContact OD1-N 3.25Å; N594-A599 PolarHBondContact OD1-O 3.35Å; N594-L601 HydrophobicContact CB-CD1 3.67Å; N594-L601 HydrophobicContact CB-CG 4.11Å; N594-E654 HydrophobicContact CB-CG 4.16Å; N594-E654 WeakPolarHBondContact CB-OE1 3.38Å; N594-E654 PolarHBondContact ND2-OE1 3.43Å
595R79Confident84.5Confident218 Ų21849 Ų4982%0.82325%0.253SS*.THydrogen-bonded Turntrans-60.4-30.4-175.8-70.8171.4175.8-168.7-0.6113.5Y597 E654R595-Y597 VanDerWaalsContact C-N 3.34Å; R595-Y597 WeakPolarHBondContact O-CD2 3.35Å; R595-E654 WeakPolarHBondContact CB-OE2 3.43Å; R595-E654 WeakPolarHBondContact CD-OE2 3.42Å; R595-E654 WeakPolarHBondContact CG-OE2 3.21Å; R595-E654 PolarHBondContact N-OE1 2.83Å; R595-E654 PolarHBondContact N-OE2 3.43Å
596A73.6Confident84.6Confident40 Ų4048.2 Ų48.233%0.33125%0.248SC..THydrogen-bonded Turntrans-81.7-3.2175.800000114.7N594 T598N594-A596 PolarHBondContact O-N 3.5Å; A596-T598 HydrophobicContact CB-CG2 4.32Å; A596-T598 PolarHBondContact O-N 3.03Å
597Y78.3Confident84.5Confident54 Ų5450.7 Ų50.721%0.21225%0.253CS..SBendtrans54.531.9-176.3-61.2-114.9000113.9P553 G554 Y572 I573 R593 N594 R595P553-Y597 HydrophobicContact CB-CD2 3.95Å; P553-Y597 HydrophobicContact CB-CE2 4.49Å; G554-Y597 VanDerWaalsContact CA-CE1 3.42Å; Y572-Y597 CarbonylContact C-O 3.59Å; Y572-Y597 WeakPolarHBondContact CA-O 3.43Å; Y572-Y597 WeakPolarHBondContact CB-O 3.17Å; I573-Y597 PolarHBondContact N-O 2.7Å; R593-Y597 VanDerWaalsContact CZ-CZ 3.43Å; R593-Y597 PolarHBondContact NH2-OH 2.89Å; N594-Y597 PolarHBondContact O-N 2.98Å; N594-Y597 PolarHBondContact OD1-N 2.81Å; R595-Y597 VanDerWaalsContact C-N 3.34Å; R595-Y597 WeakPolarHBondContact O-CD2 3.35Å
598T73.7Confident84.3Confident67 Ų6751.1 Ų51.141%0.41126%0.255SS..SBendtrans-106.3-20.1-178.2460000114N594 A596N594-T598 PolarHBondContact ND2-OG1 2.93Å; N594-T598 VanDerWaalsContact ND2-OG1 3.15Å; N594-T598 PolarHBondContact OD1-N 3.19Å; N594-T598 PolarHBondContact OD1-OG1 3.31Å; A596-T598 HydrophobicContact CB-CG2 4.32Å; A596-T598 PolarHBondContact O-N 3.03Å
599A79.3Confident83.7Confident29 Ų2957.2 Ų57.224%0.2428%0.277CS..  trans-156161.6-178.600000112.5N594N594-A599 WeakPolarHBondContact CB-O 3.18Å; N594-A599 PolarHBondContact N-O 2.98Å; N594-A599 PolarHBondContact OD1-N 3.25Å; N594-A599 PolarHBondContact OD1-O 3.35Å
600C85.8Confident82.3Confident9 Ų957 Ų576%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-93.9139.9170-52.60000110.2Y572 C587Y572-C600 WeakPolarHBondContact CD1-SG 3.01Å; Y572-C600 VanDerWaalsContact CE1-SG 3.57Å; C587-C600 WeakPolarHBondContact CA-SG 3.46Å; C587-C600 HydrophobicContact CB-CB 3.79Å; C587-C600 WeakPolarHBondContact CB-SG 3.49Å; C587-C600 VanDerWaalsContact SG-CA 3.6Å; C587-C600 WeakPolarHBondContact SG-CB 3.48Å; C587-C600 CovalentContact SG-SG 2.04Å; C587-C600 PolarHBondContact SG-SG 3.32Å
601L87Confident80.7Confident13 Ų1358 Ų587%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-129.3146.8179.4-60.8175.7000109.7T591 E592 N594 E654 Y675T591-L601 CarbonylContact C-O 3.51Å; T591-L601 WeakPolarHBondContact CA-O 3.33Å; E592-L601 PolarHBondContact N-O 3.28Å; E592-L601 PolarHBondContact O-N 3Å; N594-L601 HydrophobicContact CB-CD1 3.67Å; N594-L601 HydrophobicContact CB-CG 4.11Å; L601-E654 HydrophobicContact CD1-CG 3.69Å; L601-Y675 WeakPolarHBondContact CD2-OH 3.43Å
602S87.9Confident79.2Confident3 Ų361.7 Ų61.72%0.02134%0.342CS..  trans-94.5135.7160.5172.80000108.4C604 G652S602-C604 PolarHBondContact O-N 3.24Å; S602-C604 PolarHBondContact OG-N 2.88Å; S602-G652 PolarHBondContact O-N 2.86Å
603D86.1Confident78Confident40 Ų4061.5 Ų61.521%0.21434%0.342CS..  trans-82.113.1174.685.1-25.7000113.9T605 R653D603-T605 VanDerWaalsContact C-N 3.27Å; D603-T605 WeakPolarHBondContact OD1-CB 3.31Å; D603-T605 PolarHBondContact OD1-N 2.89Å; D603-T605 PolarHBondContact OD1-OG1 2.8Å; D603-R653 HydrophobicContact CB-CG 4.03Å; D603-R653 IonicContact OD2-CZ 3.63Å; D603-R653 IonicContact OD2-NE 3.78Å; D603-R653 IonicContact OD2-NH2 2.7Å; D603-R653 PolarHBondContact OD2-NH2 2.97Å
604C87.9Confident77.1Confident4 Ų460.9 Ų60.93%0.02735%0.353CS..SBendtrans74.5-2.7-171.4-54.60000115.8S602 F620 S624 C651S602-C604 PolarHBondContact O-N 3.24Å; S602-C604 PolarHBondContact OG-N 2.88Å; C604-F620 HydrophobicContact CB-CB 4.29Å; C604-F620 WeakPolarHBondContact O-CB 3.28Å; C604-F620 WeakPolarHBondContact O-CD2 3.34Å; C604-F620 PolarHBondContact O-N 3.42Å; C604-S624 WeakPolarHBondContact SG-CB 3.46Å; C604-C651 VanDerWaalsContact CA-SG 3.51Å; C604-C651 HydrophobicContact CB-CB 3.96Å; C604-C651 WeakPolarHBondContact CB-SG 3.45Å; C604-C651 VanDerWaalsContact SG-C 3.5Å; C604-C651 WeakPolarHBondContact SG-CB 3.33Å; C604-C651 CovalentContact SG-SG 2.03Å; C604-C651 PolarHBondContact SG-SG 3.33Å
605T88.3Confident77Confident47 Ų4764.1 Ų64.129%0.28837%0.373SS..EExtended strand (participates in β ladder)trans-93.2147.9169.775.80000111.5D603 Y618D603-T605 VanDerWaalsContact C-N 3.27Å; D603-T605 WeakPolarHBondContact OD1-CB 3.31Å; D603-T605 PolarHBondContact OD1-N 2.89Å; D603-T605 PolarHBondContact OD1-OG1 2.8Å; T605-Y618 WeakPolarHBondContact CA-O 3.33Å
606F88.4Confident77.2Confident4 Ų455.2 Ų55.22%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-141.4138.5176.8172.9-98.4000109.7N590 V608 T617 Y618 F620 V706 T708 V732N590-F606 HydrophobicContact CB-CD2 3.72Å; N590-F606 HydrophobicContact CB-CE2 4.15Å; N590-F606 WeakPolarHBondContact ND2-CE2 3.42Å; F606-V608 HydrophobicContact CE1-CB 3.76Å; F606-V608 HydrophobicContact CE1-CG1 3.79Å; F606-V608 HydrophobicContact CZ-CB 3.96Å; F606-V608 HydrophobicContact CZ-CG1 4.43Å; F606-V608 HydrophobicContact CZ-CG2 4.49Å; F606-T617 WeakPolarHBondContact O-CA 3.47Å; F606-Y618 AromaticContact CD1-CD2 3.69Å; F606-Y618 HydrophobicContact CD1-CD2 3.69Å; F606-Y618 HydrophobicContact CD1-CE2 4.11Å; F606-Y618 HydrophobicContact CD1-CG 4.23Å; F606-Y618 HydrophobicContact CE1-CD2 4.32Å; F606-Y618 HydrophobicContact CE1-CE2 4.29Å; F606-Y618 PolarHBondContact N-O 3.44Å; F606-Y618 VanDerWaalsContact N-O 3.13Å; F606-Y618 PolarHBondContact O-N 3.47Å; F606-F620 HydrophobicContact CB-CD2 4.45Å; F606-F620 HydrophobicContact CB-CE2 3.59Å; F606-F620 HydrophobicContact CB-CZ 4.26Å; F606-F620 HydrophobicContact CG-CE2 4.33Å; F606-V706 HydrophobicContact CD2-CB 4.15Å; F606-V706 HydrophobicContact CD2-CG1 3.6Å; F606-V706 HydrophobicContact CE2-CB 4.45Å; F606-V706 HydrophobicContact CE2-CG1 3.96Å; F606-V706 HydrophobicContact CG-CG1 4.34Å; F606-T708 HydrophobicContact CE1-CG2 4.22Å; F606-T708 HydrophobicContact CZ-CG2 4.06Å; F606-V732 HydrophobicContact CD1-CG1 3.92Å; F606-V732 HydrophobicContact CD1-CG2 3.89Å; F606-V732 HydrophobicContact CD2-CG1 4.2Å; F606-V732 HydrophobicContact CE1-CB 4.44Å; F606-V732 HydrophobicContact CE1-CG1 3.91Å; F606-V732 HydrophobicContact CE1-CG2 3.63Å; F606-V732 HydrophobicContact CE2-CG1 4.19Å; F606-V732 HydrophobicContact CG-CG1 4.08Å; F606-V732 HydrophobicContact CZ-CG1 4.07Å; F606-V732 HydrophobicContact CZ-CG2 4.36Å
607R86.1Confident77.9Confident158 Ų15855.2 Ų55.260%0.59634%0.337SS*.EExtended strand (participates in β ladder)trans-133.9128.6-177.7-65.3-177-175.9163.35.3110.2N590 V615 Q616 T617N590-R607 PolarHBondContact OD1-O 3.28Å; R607-V615 HydrophobicContact CB-CG1 4.31Å; R607-Q616 WeakPolarHBondContact CA-O 3.49Å; R607-T617 HydrophobicContact CG-CG2 4.02Å
608V83.5Confident78.4Confident23 Ų2352.7 Ų52.714%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-136.4143-178.666.60000111.2F606 Q616 Y618F606-V608 HydrophobicContact CE1-CB 3.76Å; F606-V608 HydrophobicContact CE1-CG1 3.79Å; F606-V608 HydrophobicContact CZ-CB 3.96Å; F606-V608 HydrophobicContact CZ-CG1 4.43Å; F606-V608 HydrophobicContact CZ-CG2 4.49Å; V608-Q616 HydrophobicContact CG1-CB 4.04Å; V608-Q616 PolarHBondContact N-O 2.9Å; V608-Q616 PolarHBondContact O-N 3.29Å; V608-Y618 HydrophobicContact CG1-CE2 4.11Å
609Q74.4Confident79.1Confident151 Ų15152.3 Ų52.371%0.70632%0.323SS*.  trans-104.8109.8167-75.4179-22.500107.7V615Q609-V615 HydrophobicContact CG-CG2 3.79Å
610S59.8Low79.6Confident46 Ų4651 Ų5132%0.32231%0.311SS..  trans-97.7126.2175.8-170.70000109.5G612 E613S610-G612 PolarHBondContact O-N 3.32Å; S610-E613 WeakPolarHBondContact O-CB 3.32Å; S610-E613 PolarHBondContact O-N 2.71Å
611G53.4Low79.7Confident89 Ų8953 Ų5392%0.91833%0.326SS*.THydrogen-bonded Turntrans58.710160.400000119.3
612G56Low79.6Confident82 Ų8255.3 Ų55.385%0.84534%0.341SS*.THydrogen-bonded Turntrans936.7-172.100000114.9S610S610-G612 PolarHBondContact O-N 3.32Å
613E62.1Low79.5Confident130 Ų13055.4 Ų55.461%0.60734%0.341SS*.SBendtrans-80.5176.6171.8-58.1-174.9150.200112.2S610S610-E613 WeakPolarHBondContact O-CB 3.32Å; S610-E613 PolarHBondContact O-N 2.71Å
614A66.9Low79.4Confident67 Ų6753.7 Ų53.755%0.55433%0.333SS*.  trans-61.6155.4176.800000112.8Q616A614-Q616 PolarHBondContact O-N 2.78Å
615V79.8Confident79.3Confident72 Ų7258.4 Ų58.444%0.43636%0.358SS..  trans-65.8105.8179.5-177.90000110.2R607 Q609 T617R607-V615 HydrophobicContact CB-CG1 4.31Å; Q609-V615 HydrophobicContact CG-CG2 3.79Å; V615-T617 PolarHBondContact O-N 2.61Å
616Q82.4Confident79.2Confident31 Ų3159.4 Ų59.415%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-75.2124.1174.9-63.2-1805.300108.7R607 V608 A614 Y618 P794R607-Q616 WeakPolarHBondContact CA-O 3.49Å; V608-Q616 HydrophobicContact CG1-CB 4.04Å; V608-Q616 PolarHBondContact N-O 2.9Å; V608-Q616 PolarHBondContact O-N 3.29Å; A614-Q616 PolarHBondContact O-N 2.78Å; Q616-Y618 HydrophobicContact CB-CE2 3.94Å; Q616-Y618 PolarHBondContact OE1-OH 3.34Å; Q616-P794 HydrophobicContact CB-CB 4.4Å
617T88Confident79.1Confident40 Ų4060.7 Ų60.725%0.24537%0.372CS..EExtended strand (participates in β ladder)trans-115.7130.4178.6-59.50000109.3F606 R607 V615 P794 L795F606-T617 WeakPolarHBondContact O-CA 3.47Å; R607-T617 HydrophobicContact CG-CG2 4.02Å; V615-T617 PolarHBondContact O-N 2.61Å; T617-P794 CarbonylContact O-C 3.24Å; T617-P794 WeakPolarHBondContact O-CA 3.41Å; T617-L795 HydrophobicContact CG2-CD1 4.06Å; T617-L795 PolarHBondContact O-N 3.26Å
618Y88.9Confident79.2Confident2 Ų255.3 Ų55.31%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-116.5147179.8-62.2-114.8000109.4T605 F606 V608 Q616 F620 V732 A792 P794T605-Y618 WeakPolarHBondContact CA-O 3.33Å; F606-Y618 AromaticContact CD1-CD2 3.69Å; F606-Y618 HydrophobicContact CD1-CD2 3.69Å; F606-Y618 HydrophobicContact CD1-CE2 4.11Å; F606-Y618 HydrophobicContact CD1-CG 4.23Å; F606-Y618 HydrophobicContact CE1-CD2 4.32Å; F606-Y618 HydrophobicContact CE1-CE2 4.29Å; F606-Y618 PolarHBondContact N-O 3.44Å; F606-Y618 VanDerWaalsContact N-O 3.13Å; F606-Y618 PolarHBondContact O-N 3.47Å; V608-Y618 HydrophobicContact CG1-CE2 4.11Å; Q616-Y618 HydrophobicContact CB-CE2 3.94Å; Q616-Y618 PolarHBondContact OE1-OH 3.34Å; Y618-F620 AromaticContact CD1-CE1 3.91Å; Y618-F620 HydrophobicContact CD1-CE1 3.91Å; Y618-F620 AromaticContact CD1-CZ 3.91Å; Y618-F620 HydrophobicContact CD1-CZ 3.91Å; Y618-F620 HydrophobicContact CG-CE1 4.26Å; Y618-F620 AromaticContact CG-CZ 3.95Å; Y618-F620 HydrophobicContact CG-CZ 3.95Å; Y618-V732 HydrophobicContact CD1-CG2 4.35Å; Y618-V732 HydrophobicContact CE1-CG2 3.96Å; Y618-V732 HydrophobicContact CE2-CG2 4.43Å; Y618-A792 WeakPolarHBondContact CE1-O 3.06Å; Y618-P794 HydrophobicContact CD1-CB 4.34Å; Y618-P794 HydrophobicContact CD2-CB 4.24Å; Y618-P794 HydrophobicContact CE1-CB 4.18Å; Y618-P794 HydrophobicContact CE1-CG 4.41Å; Y618-P794 HydrophobicContact CE2-CB 4.05Å; Y618-P794 HydrophobicContact CG-CB 4.38Å
619D90.1Very high79.4Confident59 Ų5955.7 Ų55.732%0.31637%0.365SS..EExtended strand (participates in β ladder)trans-128.3101.4174.817916.9000110.5S621 L795D619-S621 VanDerWaalsContact C-N 3.29Å; D619-S621 WeakPolarHBondContact OD1-CB 3.41Å; D619-S621 PolarHBondContact OD1-N 2.94Å; D619-S621 PolarHBondContact OD1-OG 2.86Å; D619-L795 HydrophobicContact CB-CD1 4.45Å; D619-L795 HydrophobicContact CB-CD2 4.19Å
620F89Confident80Confident0 Ų051.7 Ų51.70%035%0.351CS..  trans-8910178.1-47.1-57.3000112.6C604 F606 Y618 P622 L623 L650 V732 F734 L755 H791C604-F620 HydrophobicContact CB-CB 4.29Å; C604-F620 WeakPolarHBondContact O-CB 3.28Å; C604-F620 WeakPolarHBondContact O-CD2 3.34Å; C604-F620 PolarHBondContact O-N 3.42Å; F606-F620 HydrophobicContact CB-CD2 4.45Å; F606-F620 HydrophobicContact CB-CE2 3.59Å; F606-F620 HydrophobicContact CB-CZ 4.26Å; F606-F620 HydrophobicContact CG-CE2 4.33Å; Y618-F620 AromaticContact CD1-CE1 3.91Å; Y618-F620 HydrophobicContact CD1-CE1 3.91Å; Y618-F620 AromaticContact CD1-CZ 3.91Å; Y618-F620 HydrophobicContact CD1-CZ 3.91Å; Y618-F620 HydrophobicContact CG-CE1 4.26Å; Y618-F620 AromaticContact CG-CZ 3.95Å; Y618-F620 HydrophobicContact CG-CZ 3.95Å; F620-P622 VanDerWaalsContact C-N 3.26Å; F620-L623 WeakPolarHBondContact O-CA 3.46Å; F620-L623 WeakPolarHBondContact O-CB 3.31Å; F620-L623 PolarHBondContact O-N 3.03Å; F620-L650 HydrophobicContact CB-CD2 4Å; F620-V732 HydrophobicContact CE2-CG1 4.14Å; F620-V732 HydrophobicContact CZ-CB 4.13Å; F620-V732 HydrophobicContact CZ-CG1 3.94Å; F620-V732 HydrophobicContact CZ-CG2 4.3Å; F620-F734 AromaticContact CD2-CE2 3.85Å; F620-F734 HydrophobicContact CD2-CE2 3.85Å; F620-F734 AromaticContact CD2-CZ 3.67Å; F620-F734 HydrophobicContact CD2-CZ 3.67Å; F620-F734 AromaticContact CE2-CE2 3.77Å; F620-F734 HydrophobicContact CE2-CE2 3.77Å; F620-F734 AromaticContact CE2-CZ 3.95Å; F620-F734 HydrophobicContact CE2-CZ 3.95Å; F620-L755 HydrophobicContact CD1-CD1 3.49Å; F620-L755 VanDerWaalsContact CD1-CD1 3.49Å; F620-L755 HydrophobicContact CD2-CD1 4.02Å; F620-L755 HydrophobicContact CE1-CD1 3.47Å; F620-L755 VanDerWaalsContact CE1-CD1 3.47Å; F620-L755 HydrophobicContact CE2-CD1 3.97Å; F620-L755 HydrophobicContact CG-CD1 3.77Å; F620-L755 HydrophobicContact CZ-CD1 3.72Å; F620-H791 WeakPolarHBondContact CD1-O 3.22Å
621S87.4Confident81.1Confident52 Ų5250.1 Ų50.136%0.36434%0.343SS..G310 helixtrans-53.1-34.1179.7-60.50000114.1D619 L623 S624D619-S621 VanDerWaalsContact C-N 3.29Å; D619-S621 WeakPolarHBondContact OD1-CB 3.41Å; D619-S621 PolarHBondContact OD1-N 2.94Å; D619-S621 PolarHBondContact OD1-OG 2.86Å; S621-L623 VanDerWaalsContact C-N 3.27Å; S621-L623 PolarHBondContact O-N 2.77Å; S621-S624 WeakPolarHBondContact O-CB 3.41Å; S621-S624 PolarHBondContact O-N 2.81Å; S621-S624 PolarHBondContact O-OG 2.65Å
622P85.8Confident82.5Confident62 Ų6249.5 Ų49.540%0.40332%0.324SS..G310 helixtrans-64.8-26.8172.4-26.138.6000114.4F620 S624 H791F620-P622 VanDerWaalsContact C-N 3.26Å; P622-S624 VanDerWaalsContact C-N 3.34Å; P622-H791 HydrophobicContact CB-CB 4.27Å; P622-H791 HydrophobicContact CG-CB 4.36Å
623L85.7Confident83.7Confident4 Ų448.9 Ų48.92%0.02131%0.305CS..G310 helixtrans-91.47-177.5-51.7-176.1000113.1F620 S621 N625 L650 D765 W787 H791F620-L623 WeakPolarHBondContact O-CA 3.46Å; F620-L623 WeakPolarHBondContact O-CB 3.31Å; F620-L623 PolarHBondContact O-N 3.03Å; S621-L623 VanDerWaalsContact C-N 3.27Å; S621-L623 PolarHBondContact O-N 2.77Å; L623-N625 VanDerWaalsContact C-N 3.29Å; L623-N625 PolarHBondContact O-N 2.96Å; L623-L650 HydrophobicContact CB-CD2 3.66Å; L623-L650 HydrophobicContact CD1-CD2 4.33Å; L623-D765 WeakPolarHBondContact CD2-OD1 3.46Å; L623-W787 HydrophobicContact CB-CH2 4.08Å; L623-W787 HydrophobicContact CB-CZ2 3.76Å; L623-W787 HydrophobicContact CD1-CZ2 4.3Å; L623-W787 HydrophobicContact CD2-CZ2 3.82Å; L623-W787 HydrophobicContact CG-CZ2 4.15Å; L623-H791 HydrophobicContact CD1-CB 4.13Å; L623-H791 HydrophobicContact CD2-CB 4Å; L623-H791 HydrophobicContact CG-CB 3.91Å
624S82.4Confident84.4Confident4 Ų446 Ų463%0.02829%0.289CS..  trans-84.59-173.567.20000115.4C604 S621 P622 R656C604-S624 WeakPolarHBondContact SG-CB 3.46Å; S621-S624 WeakPolarHBondContact O-CB 3.41Å; S621-S624 PolarHBondContact O-N 2.81Å; S621-S624 PolarHBondContact O-OG 2.65Å; P622-S624 VanDerWaalsContact C-N 3.34Å; S624-R656 PolarHBondContact O-NH1 2.92Å; S624-R656 PolarHBondContact OG-NH1 3.22Å; S624-R656 PolarHBondContact OG-NH2 3.21Å
625N85.8Confident84.8Confident104 Ų10448.3 Ų48.356%0.55629%0.286SS*.SBendtrans-96.2155.5175.9-72.5-22.4000110.4L623 T627 R656L623-N625 VanDerWaalsContact C-N 3.29Å; L623-N625 PolarHBondContact O-N 2.96Å; N625-T627 PolarHBondContact O-N 3.16Å; N625-T627 VanDerWaalsContact O-N 3.15Å; N625-R656 PolarHBondContact OD1-NH1 2.82Å
626V86.2Confident84.2Confident67 Ų6745.6 Ų45.641%0.40627%0.27SS..  trans-65.8116.9177-177.80000109.4N647 L648 N649 A659V626-N647 HydrophobicContact CG1-CB 4.28Å; V626-L648 CarbonylContact C-O 3.54Å; V626-L648 VanDerWaalsContact CA-O 3.29Å; V626-L648 WeakPolarHBondContact CA-O 3.15Å; V626-N649 HydrophobicContact CG2-CB 4.36Å; V626-A659 HydrophobicContact CG1-CB 4.05Å
627T87.9Confident83Confident32 Ų3249.7 Ų49.720%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-106.6117.2178.338.90000109.6N625 L648 W787N625-T627 PolarHBondContact O-N 3.16Å; N625-T627 VanDerWaalsContact O-N 3.15Å; T627-L648 PolarHBondContact N-O 2.9Å; T627-L648 PolarHBondContact O-N 2.94Å; T627-L648 PolarHBondContact OG1-O 2.91Å; T627-W787 HydrophobicContact CG2-CH2 3.87Å; T627-W787 HydrophobicContact CG2-CZ2 4.02Å; T627-W787 VanDerWaalsContact OG1-CH2 3.25Å; T627-W787 WeakPolarHBondContact OG1-CH2 3.15Å
628G87.8Confident81.6Confident45 Ų4553.1 Ų53.146%0.46430%0.301SS..EExtended strand (participates in β ladder)trans-98.9129.4173.700000111.2F646 N647G628-F646 WeakPolarHBondContact CA-O 3.4Å; G628-N647 WeakPolarHBondContact CA-OD1 3.33Å
629F88.1Confident80.3Confident31 Ų3154.5 Ų54.514%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-137158173.185.2-86000111.7H645 F646 L648 I767 L769 F785F629-H645 PolarHBondContact O-ND1 3.15Å; F629-F646 HydrophobicContact CD1-CB 4.09Å; F629-F646 HydrophobicContact CE1-CB 3.66Å; F629-F646 HydrophobicContact CE1-CD2 4.2Å; F629-F646 HydrophobicContact CE1-CG 4.18Å; F629-F646 HydrophobicContact CE2-CD2 4.01Å; F629-F646 HydrophobicContact CZ-CB 4.06Å; F629-F646 AromaticContact CZ-CD2 3.71Å; F629-F646 HydrophobicContact CZ-CD2 3.71Å; F629-F646 HydrophobicContact CZ-CE2 4.45Å; F629-F646 HydrophobicContact CZ-CG 4.09Å; F629-F646 PolarHBondContact N-O 2.89Å; F629-F646 PolarHBondContact O-N 2.9Å; F629-L648 HydrophobicContact CD1-CD1 3.89Å; F629-L648 HydrophobicContact CE1-CD1 3.57Å; F629-I767 HydrophobicContact CD1-CB 3.88Å; F629-I767 HydrophobicContact CD1-CD1 3.94Å; F629-I767 HydrophobicContact CD1-CG1 4.49Å; F629-I767 HydrophobicContact CD1-CG2 3.81Å; F629-I767 HydrophobicContact CE1-CB 4.05Å; F629-I767 HydrophobicContact CE1-CD1 4.41Å; F629-I767 HydrophobicContact CE1-CG2 3.43Å; F629-I767 VanDerWaalsContact CE1-CG2 3.43Å; F629-I767 HydrophobicContact CE2-CG2 4.36Å; F629-I767 HydrophobicContact CG-CB 4.14Å; F629-I767 HydrophobicContact CG-CG2 4.41Å; F629-I767 HydrophobicContact CZ-CB 4.47Å; F629-I767 HydrophobicContact CZ-CG2 3.76Å; F629-L769 HydrophobicContact CE2-CD1 4.47Å; F629-L769 HydrophobicContact CE2-CD2 4.06Å; F629-L769 HydrophobicContact CE2-CG 4.15Å; F629-L769 HydrophobicContact CZ-CD2 3.74Å; F629-L769 HydrophobicContact CZ-CG 4.34Å; F629-F785 AromaticContact CE1-CD1 3.92Å; F629-F785 HydrophobicContact CE1-CD1 3.92Å; F629-F785 HydrophobicContact CE1-CE1 4.07Å; F629-F785 AromaticContact CZ-CD1 3.74Å; F629-F785 HydrophobicContact CZ-CD1 3.74Å; F629-F785 AromaticContact CZ-CE1 3.87Å; F629-F785 HydrophobicContact CZ-CE1 3.87Å
630T87Confident79.1Confident67 Ų6752.8 Ų52.841%0.41131%0.307SS..EExtended strand (participates in β ladder)trans-117.5129.8-177.7-55.60000109.2F643 H644 H645T630-F643 HydrophobicContact CG2-CB 3.56Å; T630-F643 HydrophobicContact CG2-CD1 3.79Å; T630-F643 HydrophobicContact CG2-CG 3.91Å; T630-H644 WeakPolarHBondContact CA-O 3.16Å; T630-H645 PolarHBondContact OG1-ND1 3Å
631G83.4Confident78.5Confident13 Ų1356.8 Ų56.813%0.13432%0.322CS..  trans-68.2175.8178.200000113.4H644G631-H644 PolarHBondContact N-O 2.85Å
632S81.5Confident78.2Confident76 Ų7655.5 Ų55.553%0.53131%0.309SS..  trans-56.9147.3175.4-57.30000112R634S632-R634 PolarHBondContact O-N 3.04Å
633P81.4Confident78.1Confident68 Ų6853.7 Ų53.744%0.44230%0.295SS..  trans-57.6128.9174.823.8-33.1000110.7F635 R641 F643P633-F635 HydrophobicContact CB-CE2 4.49Å; P633-R641 HydrophobicContact CB-CG 4.2Å; P633-F643 HydrophobicContact CB-CD1 4.28Å; P633-F643 HydrophobicContact CB-CE1 3.62Å; P633-F643 HydrophobicContact CB-CZ 3.95Å; P633-F643 HydrophobicContact CG-CE1 4.33Å
634R77.3Confident78.2Confident71 Ų7154.5 Ų54.527%0.26830%0.299SS..EExtended strand (participates in β ladder)trans-105.2163.5170.2-54.6-63.5-84-179.3-9.4108.8S632 R641 Y642 S774 E775S632-R634 PolarHBondContact O-N 3.04Å; R634-R641 WeakPolarHBondContact O-CA 3.41Å; R634-Y642 HydrophobicContact CB-CD1 4.09Å; R634-Y642 HydrophobicContact CB-CD2 3.92Å; R634-Y642 HydrophobicContact CB-CE1 3.66Å; R634-Y642 HydrophobicContact CB-CE2 3.46Å; R634-Y642 VanDerWaalsContact CB-CE2 3.46Å; R634-Y642 HydrophobicContact CB-CG 4.21Å; R634-Y642 HydrophobicContact CG-CD2 4.48Å; R634-Y642 HydrophobicContact CG-CE2 3.89Å; R634-Y642 PolarHBondContact N-O 2.83Å; R634-Y642 PolarHBondContact O-N 3.1Å; R634-S774 PolarHBondContact NH1-OG 2.7Å; R634-E775 IonicContact CZ-OE1 2.67Å; R634-E775 IonicContact NE-OE1 2.87Å; R634-E775 PolarHBondContact NE-OE1 2.71Å; R634-E775 IonicContact NH2-OE1 2.87Å; R634-E775 PolarHBondContact NH2-OE1 2.86Å
635F75.2Confident78.6Confident115 Ų11556.6 Ų56.650%0.50431%0.308SS..EExtended strand (participates in β ladder)trans-132.7142.3178-64.8-88.8000109.2P633 G639 L640 R641P633-F635 HydrophobicContact CB-CE2 4.49Å; F635-G639 WeakPolarHBondContact CD1-O 3.12Å; F635-L640 CarbonylContact C-O 3.55Å; F635-L640 VanDerWaalsContact CA-O 3.31Å; F635-L640 WeakPolarHBondContact CA-O 3.41Å; F635-R641 HydrophobicContact CD1-CB 3.93Å; F635-R641 HydrophobicContact CD1-CG 4.42Å; F635-R641 HydrophobicContact CE1-CB 3.67Å; F635-R641 HydrophobicContact CE1-CG 3.92Å; F635-R641 HydrophobicContact CZ-CB 4.44Å; F635-R641 HydrophobicContact CZ-CG 4.2Å
636T66.3Low78.8Confident14 Ų1451.7 Ų51.79%0.08628%0.282CS..  trans-69.9176.6169.764.10000111E118 R638 G639 L640 Y642E118-T636 WeakPolarHBondContact OE1-CB 3.31Å; E118-T636 WeakPolarHBondContact OE2-CB 3.31Å; E118-T636 PolarHBondContact OE2-OG1 2.94Å; T636-R638 PolarHBondContact O-N 2.87Å; T636-G639 PolarHBondContact O-N 2.91Å; T636-G639 PolarHBondContact OG1-N 2.76Å; T636-L640 HydrophobicContact CG2-CB 3.91Å; T636-L640 HydrophobicContact CG2-CD2 4.44Å; T636-L640 PolarHBondContact N-O 2.87Å; T636-L640 WeakPolarHBondContact OG1-CB 3.31Å; T636-L640 PolarHBondContact OG1-N 3.02Å; T636-Y642 HydrophobicContact CG2-CD1 4.04Å; T636-Y642 HydrophobicContact CG2-CE1 4.09Å
637N58.4Low79.1Confident118 Ų11849.8 Ų49.863%0.63127%0.269SS*.THydrogen-bonded Turntrans-65-20.3-177.865.361.4000113.9
638R57Low79.2Confident111 Ų11148.4 Ų48.442%0.41926%0.26SS..THydrogen-bonded Turntrans-106.814.6168.4-46.8-166.8-178.8-175.21.8114.4I98 D117 E118 T636I98-R638 WeakPolarHBondContact CD1-O 3.18Å; D117-R638 IonicContact OD2-CZ 2.71Å; D117-R638 IonicContact OD2-NH1 2.72Å; D117-R638 PolarHBondContact OD2-NH1 3.11Å; D117-R638 IonicContact OD2-NH2 3.84Å; E118-R638 HydrophobicContact CB-CB 4.09Å; E118-R638 HydrophobicContact CB-CG 4.16Å; E118-R638 HydrophobicContact CG-CB 4.35Å; E118-R638 HydrophobicContact CG-CG 4.03Å; E118-R638 WeakPolarHBondContact OE2-CA 3.14Å; E118-R638 WeakPolarHBondContact OE2-CB 3.33Å; E118-R638 WeakPolarHBondContact OE2-CG 3.31Å; E118-R638 PolarHBondContact OE2-N 3.07Å; T636-R638 PolarHBondContact O-N 2.87Å
639G62.4Low79.3Confident31 Ų3146.8 Ų46.832%0.3224%0.241SC..  trans89.516.7169.100000116.8F635 T636 R641F635-G639 WeakPolarHBondContact CD1-O 3.12Å; T636-G639 PolarHBondContact O-N 2.91Å; T636-G639 PolarHBondContact OG1-N 2.76Å; G639-R641 PolarHBondContact O-N 2.86Å
640L65.7Low79.3Confident23 Ų2345.4 Ų45.412%0.1224%0.235CC..  trans-69.7120.9168.9-179.571.6000109.4F195 F635 T636F195-L640 HydrophobicContact CB-CD2 3.6Å; F635-L640 CarbonylContact C-O 3.55Å; F635-L640 VanDerWaalsContact CA-O 3.31Å; F635-L640 WeakPolarHBondContact CA-O 3.41Å; T636-L640 HydrophobicContact CG2-CB 3.91Å; T636-L640 HydrophobicContact CG2-CD2 4.44Å; T636-L640 PolarHBondContact N-O 2.87Å; T636-L640 WeakPolarHBondContact OG1-CB 3.31Å; T636-L640 PolarHBondContact OG1-N 3.02Å
641R76.8Confident79.2Confident85 Ų8542.2 Ų42.232%0.32122%0.216SC..EExtended strand (participates in β ladder)trans-75.8128.1-179.2-174.5168.852.2118.74111.8P633 R634 F635 G639 F643 P683P633-R641 HydrophobicContact CB-CG 4.2Å; R634-R641 WeakPolarHBondContact O-CA 3.41Å; F635-R641 HydrophobicContact CD1-CB 3.93Å; F635-R641 HydrophobicContact CD1-CG 4.42Å; F635-R641 HydrophobicContact CE1-CB 3.67Å; F635-R641 HydrophobicContact CE1-CG 3.92Å; F635-R641 HydrophobicContact CZ-CB 4.44Å; F635-R641 HydrophobicContact CZ-CG 4.2Å; G639-R641 PolarHBondContact O-N 2.86Å; R641-F643 HydrophobicContact CG-CE2 4.16Å; R641-F643 HydrophobicContact CG-CZ 4.35Å; R641-P683 WeakPolarHBondContact O-CD 3.48Å
642Y80.6Confident78.9Confident25 Ų2542.1 Ų42.110%0.09822%0.215CC..EExtended strand (participates in β ladder)trans-138.3170.8173.670-88.1000111.5L197 R634 T636 H644 T680L197-Y642 HydrophobicContact CD2-CD1 4.24Å; L197-Y642 HydrophobicContact CD2-CE1 3.68Å; L197-Y642 HydrophobicContact CD2-CE2 4Å; R634-Y642 HydrophobicContact CB-CD1 4.09Å; R634-Y642 HydrophobicContact CB-CD2 3.92Å; R634-Y642 HydrophobicContact CB-CE1 3.66Å; R634-Y642 HydrophobicContact CB-CE2 3.46Å; R634-Y642 VanDerWaalsContact CB-CE2 3.46Å; R634-Y642 HydrophobicContact CB-CG 4.21Å; R634-Y642 HydrophobicContact CG-CD2 4.48Å; R634-Y642 HydrophobicContact CG-CE2 3.89Å; R634-Y642 PolarHBondContact N-O 2.83Å; R634-Y642 PolarHBondContact O-N 3.1Å; T636-Y642 HydrophobicContact CG2-CD1 4.04Å; T636-Y642 HydrophobicContact CG2-CE1 4.09Å; Y642-H644 AromaticContact CE2-CE1 3.73Å; Y642-H644 AromaticContact CE2-NE2 3.82Å; Y642-T680 HydrophobicContact CD2-CG2 4.16Å
643F84.3Confident78.5Confident24 Ų2446.6 Ų46.611%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-137.2159.9-179.6-59.4-94.8000110.5T630 P633 R641 V681 P683T630-F643 HydrophobicContact CG2-CB 3.56Å; T630-F643 HydrophobicContact CG2-CD1 3.79Å; T630-F643 HydrophobicContact CG2-CG 3.91Å; P633-F643 HydrophobicContact CB-CD1 4.28Å; P633-F643 HydrophobicContact CB-CE1 3.62Å; P633-F643 HydrophobicContact CB-CZ 3.95Å; P633-F643 HydrophobicContact CG-CE1 4.33Å; R641-F643 HydrophobicContact CG-CE2 4.16Å; R641-F643 HydrophobicContact CG-CZ 4.35Å; F643-V681 PolarHBondContact N-O 2.9Å; F643-V681 PolarHBondContact O-N 2.76Å; F643-P683 HydrophobicContact CD2-CG 4.33Å; F643-P683 HydrophobicContact CE2-CG 3.81Å
644H87.7Confident77.6Confident20 Ų2045.4 Ų45.49%0.09321%0.209CC..EExtended strand (participates in β ladder)trans-107.4130.8162-62.4-46.4000109.1T630 G631 Y642 F646 Q678 S679 T680T630-H644 WeakPolarHBondContact CA-O 3.16Å; G631-H644 PolarHBondContact N-O 2.85Å; Y642-H644 AromaticContact CE2-CE1 3.73Å; Y642-H644 AromaticContact CE2-NE2 3.82Å; H644-F646 HydrophobicContact CB-CE2 3.73Å; H644-F646 HydrophobicContact CB-CZ 3.96Å; H644-Q678 HydrophobicContact CB-CG 4.37Å; H644-Q678 PolarHBondContact ND1-NE2 2.86Å; H644-S679 WeakPolarHBondContact CA-O 3.38Å; H644-T680 PolarHBondContact ND1-OG1 3.04Å
645H89.8Confident76.5Confident48 Ų4847.3 Ų47.322%0.22223%0.233CC..EExtended strand (participates in β ladder)trans-110.2125.3177.1-17567.6000108.8F629 T630 N647 Q678 S679 V681F629-H645 PolarHBondContact O-ND1 3.15Å; T630-H645 PolarHBondContact OG1-ND1 3Å; H645-N647 PolarHBondContact NE2-OD1 3.3Å; H645-Q678 WeakPolarHBondContact O-CA 3.5Å; H645-S679 PolarHBondContact N-O 3.42Å; H645-S679 PolarHBondContact O-N 3.39Å; H645-S679 PolarHBondContact O-OG 3.06Å; H645-V681 HydrophobicContact CB-CG2 3.63Å
646F91.3Very high75.9Confident1 Ų147.9 Ų47.90%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-115.5130.2-176.1-60.8-88.9000109.3G628 F629 H644 L648 C677 Q678 I699 L769 F783 F785G628-F646 WeakPolarHBondContact CA-O 3.4Å; F629-F646 HydrophobicContact CD1-CB 4.09Å; F629-F646 HydrophobicContact CE1-CB 3.66Å; F629-F646 HydrophobicContact CE1-CD2 4.2Å; F629-F646 HydrophobicContact CE1-CG 4.18Å; F629-F646 HydrophobicContact CE2-CD2 4.01Å; F629-F646 HydrophobicContact CZ-CB 4.06Å; F629-F646 AromaticContact CZ-CD2 3.71Å; F629-F646 HydrophobicContact CZ-CD2 3.71Å; F629-F646 HydrophobicContact CZ-CE2 4.45Å; F629-F646 HydrophobicContact CZ-CG 4.09Å; F629-F646 PolarHBondContact N-O 2.89Å; F629-F646 PolarHBondContact O-N 2.9Å; H644-F646 HydrophobicContact CB-CE2 3.73Å; H644-F646 HydrophobicContact CB-CZ 3.96Å; F646-L648 HydrophobicContact CB-CD1 3.9Å; F646-C677 WeakPolarHBondContact CA-O 3.31Å; F646-Q678 HydrophobicContact CD1-CB 3.87Å; F646-Q678 HydrophobicContact CD1-CG 4.07Å; F646-Q678 HydrophobicContact CE1-CB 3.91Å; F646-Q678 HydrophobicContact CE1-CG 3.77Å; F646-Q678 VanDerWaalsContact CE1-OE1 3.24Å; F646-Q678 HydrophobicContact CZ-CG 4.27Å; F646-I699 HydrophobicContact CD1-CD1 4.04Å; F646-I699 HydrophobicContact CE1-CD1 3.98Å; F646-L769 HydrophobicContact CE2-CD1 4.24Å; F646-F783 HydrophobicContact CE1-CD1 4.19Å; F646-F783 HydrophobicContact CE1-CE1 4.17Å; F646-F785 AromaticContact CD1-CE1 3.99Å; F646-F785 HydrophobicContact CD1-CE1 3.99Å; F646-F785 HydrophobicContact CD1-CZ 4.05Å; F646-F785 HydrophobicContact CE1-CE1 4.28Å; F646-F785 HydrophobicContact CE1-CZ 4.29Å; F646-F785 HydrophobicContact CG-CE1 4.17Å
647N91.4Very high75.7Confident28 Ų2852.2 Ų52.215%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-110128.3170-74.6-40.1000109.2V626 G628 H645 A659 S660 C677V626-N647 HydrophobicContact CG1-CB 4.28Å; G628-N647 WeakPolarHBondContact CA-OD1 3.33Å; H645-N647 PolarHBondContact NE2-OD1 3.3Å; N647-A659 HydrophobicContact CB-CB 4Å; N647-A659 WeakPolarHBondContact O-CB 3.47Å; N647-S660 PolarHBondContact ND2-O 2.04Å; N647-C677 PolarHBondContact N-O 3.2Å; N647-C677 VanDerWaalsContact N-O 3.13Å; N647-C677 PolarHBondContact O-N 2.92Å; N647-C677 VanDerWaalsContact O-N 3.12Å
648L90.1Very high76.6Confident2 Ų249.1 Ų49.11%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-123.2142.6-178.3-70.292.3000111.7V626 T627 F629 F646 Y675 V676 V753 F785V626-L648 CarbonylContact C-O 3.54Å; V626-L648 VanDerWaalsContact CA-O 3.29Å; V626-L648 WeakPolarHBondContact CA-O 3.15Å; T627-L648 PolarHBondContact N-O 2.9Å; T627-L648 PolarHBondContact O-N 2.94Å; T627-L648 PolarHBondContact OG1-O 2.91Å; F629-L648 HydrophobicContact CD1-CD1 3.89Å; F629-L648 HydrophobicContact CE1-CD1 3.57Å; F646-L648 HydrophobicContact CB-CD1 3.9Å; L648-Y675 CarbonylContact C-O 3.51Å; L648-Y675 WeakPolarHBondContact CA-O 3.37Å; L648-V676 HydrophobicContact CD2-CG1 4.34Å; L648-V676 HydrophobicContact CD2-CG2 3.99Å; L648-V676 HydrophobicContact CG-CG1 4.12Å; L648-V676 HydrophobicContact CG-CG2 4.11Å; L648-V753 HydrophobicContact CD2-CG2 3.63Å; L648-F785 HydrophobicContact CD2-CD2 4.11Å; L648-F785 HydrophobicContact CD2-CE2 4.39Å; L648-F785 HydrophobicContact CD2-CG 4.18Å
649N89.3Confident77.9Confident12 Ų1243.8 Ų43.86%0.06422%0.224CC..  trans-124.9129.7164.5-175.7-20.7000107.3V626 C651 V657 A659 Y675V626-N649 HydrophobicContact CG2-CB 4.36Å; N649-C651 PolarHBondContact OD1-N 2.67Å; N649-C651 PolarHBondContact OD1-O 2.87Å; N649-V657 PolarHBondContact ND2-O 3.09Å; N649-A659 HydrophobicContact CB-CB 4.37Å; N649-Y675 PolarHBondContact N-O 3.03Å; N649-Y675 WeakPolarHBondContact O-CD1 3.23Å
650L87.9Confident79.1Confident1 Ų144.3 Ų44.31%0.00522%0.223CC..  trans-91.6-42.4-170-176.569.4000113.8F620 L623 F734 Y736 V753 L755 W787F620-L650 HydrophobicContact CB-CD2 4Å; L623-L650 HydrophobicContact CB-CD2 3.66Å; L623-L650 HydrophobicContact CD1-CD2 4.33Å; L650-F734 HydrophobicContact CD1-CB 4.3Å; L650-F734 HydrophobicContact CD1-CD1 3.92Å; L650-F734 HydrophobicContact CD1-CD2 3.81Å; L650-F734 HydrophobicContact CD1-CE1 4.18Å; L650-F734 HydrophobicContact CD1-CE2 4.09Å; L650-F734 HydrophobicContact CD1-CG 3.74Å; L650-F734 HydrophobicContact CD1-CZ 4.27Å; L650-F734 HydrophobicContact CG-CD1 4.3Å; L650-F734 HydrophobicContact CG-CE1 4.12Å; L650-F734 HydrophobicContact CG-CE2 4.44Å; L650-F734 HydrophobicContact CG-CZ 4.2Å; L650-F734 WeakPolarHBondContact O-CD1 3.4Å; L650-F734 WeakPolarHBondContact O-CE1 3.48Å; L650-Y736 WeakPolarHBondContact CA-OH 3.2Å; L650-Y736 PolarHBondContact O-OH 3.17Å; L650-V753 HydrophobicContact CD1-CG1 4.09Å; L650-L755 HydrophobicContact CD1-CD1 4.31Å; L650-L755 HydrophobicContact CD1-CD2 3.98Å; L650-L755 HydrophobicContact CD1-CG 4.46Å; L650-L755 HydrophobicContact CD2-CD1 3.93Å; L650-L755 HydrophobicContact CD2-CD2 4.13Å; L650-W787 HydrophobicContact CB-CZ3 4.28Å
651C85.6Confident80.1Confident1 Ų143.3 Ų43.31%0.00722%0.218CC..  trans-169.1162.3-167.859.20000111.1C604 N649 F734C604-C651 VanDerWaalsContact CA-SG 3.51Å; C604-C651 HydrophobicContact CB-CB 3.96Å; C604-C651 WeakPolarHBondContact CB-SG 3.45Å; C604-C651 VanDerWaalsContact SG-C 3.5Å; C604-C651 WeakPolarHBondContact SG-CB 3.33Å; C604-C651 CovalentContact SG-SG 2.03Å; C604-C651 PolarHBondContact SG-SG 3.33Å; N649-C651 PolarHBondContact OD1-N 2.67Å; N649-C651 PolarHBondContact OD1-O 2.87Å; C651-F734 HydrophobicContact CB-CE1 4.07Å
652G78.1Confident80.4Confident11 Ų1141.7 Ų41.711%0.11322%0.217CC..  trans157.3150175.200000114.4S602S602-G652 PolarHBondContact O-N 2.86Å
653R72.4Confident80.2Confident170 Ų17041 Ų4164%0.64222%0.215SC*.  trans-74.3163.8172-62.4-178.6178.6165.94.2111.3D603 S655D603-R653 HydrophobicContact CB-CG 4.03Å; D603-R653 IonicContact OD2-CZ 3.63Å; D603-R653 IonicContact OD2-NE 3.78Å; D603-R653 IonicContact OD2-NH2 2.7Å; D603-R653 PolarHBondContact OD2-NH2 2.97Å; R653-S655 PolarHBondContact O-N 3.28Å; R653-S655 VanDerWaalsContact O-N 3.16Å
654E62.9Low79.5Confident43 Ų4344.2 Ų44.220%0.20123%0.234CC..THydrogen-bonded Turntrans-54116.1-179.9-67.2165.9129.300111.9N594 R595 L601N594-E654 HydrophobicContact CB-CG 4.16Å; N594-E654 WeakPolarHBondContact CB-OE1 3.38Å; N594-E654 PolarHBondContact ND2-OE1 3.43Å; R595-E654 WeakPolarHBondContact CB-OE2 3.43Å; R595-E654 WeakPolarHBondContact CD-OE2 3.42Å; R595-E654 WeakPolarHBondContact CG-OE2 3.21Å; R595-E654 PolarHBondContact N-OE1 2.83Å; R595-E654 PolarHBondContact N-OE2 3.43Å; L601-E654 HydrophobicContact CD1-CG 3.69Å
655S53.2Low78.4Confident111 Ų11143.8 Ų43.878%0.77623%0.232SC*.THydrogen-bonded Turntrans146.4-17.5170.348.90000113.3R653R653-S655 PolarHBondContact O-N 3.28Å; R653-S655 VanDerWaalsContact O-N 3.16Å
656R62.2Low76.7Confident126 Ų12642.4 Ų42.448%0.47523%0.227SC..PPolyproline II helixtrans-80.9151.6-173.4-68.5-167.8174.7-145.57.8114.8S624 N625S624-R656 PolarHBondContact O-NH1 2.92Å; S624-R656 PolarHBondContact OG-NH1 3.22Å; S624-R656 PolarHBondContact OG-NH2 3.21Å; N625-R656 PolarHBondContact OD1-NH1 2.82Å
657V62.5Low74.6Confident105 Ų10548.4 Ų48.464%0.63626%0.255SS*.PPolyproline II helixtrans-74.6132.1-178.6-171.30000110.6N649N649-V657 PolarHBondContact ND2-O 3.09Å
658P76.9Confident72.6Confident53 Ų5352 Ų5234%0.34428%0.283SS..PPolyproline II helixtrans-69158.5172.929.7-35.5000111.6S660 K673 G674P658-S660 PolarHBondContact O-N 3.01Å; P658-K673 HydrophobicContact CB-CB 4.34Å; P658-K673 HydrophobicContact CG-CB 3.98Å; P658-K673 HydrophobicContact CG-CD 4.22Å; P658-K673 HydrophobicContact CG-CG 4.08Å; P658-G674 CarbonylContact C-O 3.51Å; P658-G674 VanDerWaalsContact CB-O 3.32Å; P658-G674 WeakPolarHBondContact CB-O 3.36Å
659A84.9Confident71.2Confident0 Ų054.1 Ų54.10%031%0.305CS..EExtended strand (participates in β ladder)trans-63.5132.4168.800000109.7V626 N647 N649 K673 G674V626-A659 HydrophobicContact CG1-CB 4.05Å; N647-A659 HydrophobicContact CB-CB 4Å; N647-A659 WeakPolarHBondContact O-CB 3.47Å; N649-A659 HydrophobicContact CB-CB 4.37Å; A659-K673 CarbonylContact O-C 3.52Å; A659-K673 VanDerWaalsContact O-CA 3.31Å; A659-K673 WeakPolarHBondContact O-CA 3.43Å; A659-G674 PolarHBondContact N-O 2.8Å; A659-G674 PolarHBondContact O-N 2.8Å
660S87.1Confident70.3Confident42 Ų4258.4 Ų58.429%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-116.9146.4179.157.90000112.4N647 P658 E671 V672N647-S660 PolarHBondContact ND2-O 2.04Å; P658-S660 PolarHBondContact O-N 3.01Å; S660-E671 WeakPolarHBondContact CB-OE1 3.44Å; S660-V672 VanDerWaalsContact CA-O 3.29Å; S660-V672 WeakPolarHBondContact CA-O 3.43Å
661C87Confident69.9Low2 Ų262.9 Ų62.91%0.01434%0.344CS..EExtended strand (participates in β ladder)trans-134139.3175.5-65.90000109.4E671 V672 C677 P696C661-E671 WeakPolarHBondContact O-CA 3.4Å; C661-V672 HydrophobicContact CB-CG2 3.92Å; C661-V672 PolarHBondContact N-O 3.06Å; C661-V672 PolarHBondContact O-N 3.09Å; C661-C677 HydrophobicContact CB-CB 3.84Å; C661-C677 WeakPolarHBondContact CB-SG 3.42Å; C661-C677 PolarHBondContact N-SG 2.71Å; C661-C677 VanDerWaalsContact N-SG 3.37Å; C661-C677 WeakPolarHBondContact SG-CB 3.23Å; C661-C677 PolarHBondContact SG-O 3.28Å; C661-C677 CovalentContact SG-SG 2.05Å; C661-C677 PolarHBondContact SG-SG 2.9Å; C661-P696 HydrophobicContact CB-CB 4.05Å
662V82.3Confident69.6Low51 Ų5163.9 Ų63.931%0.30935%0.35SS..EExtended strand (participates in β ladder)trans-129.7148.7-166.2-69.60000113.4N664 K670 E671 S693V662-N664 VanDerWaalsContact CG2-OD1 3.29Å; V662-N664 WeakPolarHBondContact CG2-OD1 3.35Å; V662-K670 CarbonylContact C-O 3.59Å; V662-K670 WeakPolarHBondContact CA-O 3.49Å; V662-E671 HydrophobicContact CG1-CB 4.11Å; V662-E671 HydrophobicContact CG1-CG 3.86Å; V662-S693 WeakPolarHBondContact O-CB 3.42Å; V662-S693 PolarHBondContact O-OG 3.49Å
663D76.4Confident69.9Low10 Ų1067.8 Ų67.85%0.05336%0.364CS..  trans-96.5117.7164.4-163-68.9000109.1V665 T666 K670 S694 Q695 P696D663-V665 PolarHBondContact OD1-N 2.88Å; D663-V665 VanDerWaalsContact OD1-N 3.13Å; D663-T666 PolarHBondContact OD1-N 3.17Å; D663-T666 PolarHBondContact OD1-OG1 3.12Å; D663-K670 HydrophobicContact CB-CB 4.06Å; D663-K670 PolarHBondContact N-O 3.37Å; D663-S694 VanDerWaalsContact OD2-CA 3.27Å; D663-S694 WeakPolarHBondContact OD2-CA 3.25Å; D663-Q695 PolarHBondContact OD2-N 2.89Å; D663-P696 HydrophobicContact CB-CG 4.06Å
664N70.7Confident70.5Confident92 Ų9260.1 Ų60.149%0.49234%0.337SS..  trans-111.66.6179.9-67.66.5000112V662 V692 S693V662-N664 VanDerWaalsContact CG2-OD1 3.29Å; V662-N664 WeakPolarHBondContact CG2-OD1 3.35Å; N664-V692 HydrophobicContact CB-CG1 4.41Å; N664-S693 PolarHBondContact N-O 2.79Å
665V63.5Low71.7Confident10 Ų1060 Ų606%0.06134%0.335CS..SBendtrans-80.2-29.9174.1-176.10000110.5Y147 D663 V692Y147-V665 HydrophobicContact CD1-CG1 3.92Å; Y147-V665 HydrophobicContact CE1-CG1 3.86Å; Y147-V665 HydrophobicContact CE1-CG2 3.74Å; D663-V665 PolarHBondContact OD1-N 2.88Å; D663-V665 VanDerWaalsContact OD1-N 3.13Å; V665-V692 HydrophobicContact CB-CG1 4.44Å; V665-V692 HydrophobicContact CG2-CG1 3.65Å
666T55Low73.5Confident19 Ų1954.7 Ų54.712%0.11730%0.298CS..SBendtrans-111.1134.1-169.552.10000111.8I169 D663 S668 G669I169-T666 HydrophobicContact CD1-CG2 3.57Å; I169-T666 HydrophobicContact CG1-CG2 4.01Å; D663-T666 PolarHBondContact OD1-N 3.17Å; D663-T666 PolarHBondContact OD1-OG1 3.12Å; T666-S668 PolarHBondContact O-N 2.87Å; T666-G669 PolarHBondContact O-N 3.05Å
667E46.2Very low74.9Confident127 Ų12748.7 Ų48.759%0.59328%0.275SS*.THydrogen-bonded Turntrans-63.3-13176.9-152.9-170.2142.300113R168R168-E667 HydrophobicContact CG-CB 4.3Å; R168-E667 IonicContact CZ-OE1 2.61Å; R168-E667 IonicContact CZ-OE2 2.87Å; R168-E667 IonicContact NE-OE1 2.81Å; R168-E667 IonicContact NE-OE2 3.49Å; R168-E667 PolarHBondContact NE-OE2 2.96Å; R168-E667 IonicContact NH2-OE1 3.61Å; R168-E667 PolarHBondContact NH2-OE1 2.96Å; R168-E667 IonicContact NH2-OE2 3.57Å; R168-E667 PolarHBondContact NH2-OE2 3.33Å
668S51Low76.3Confident104 Ų10444.2 Ų44.273%0.72725%0.248SC*.THydrogen-bonded Turntrans-84.4-10.1173.4470000114.7T666T666-S668 PolarHBondContact O-N 2.87Å
669G60.4Low76.9Confident46 Ų4641.8 Ų41.847%0.47423%0.232SC..  trans5172.2162.800000116.7T666 E671T666-G669 PolarHBondContact O-N 3.05Å; G669-E671 PolarHBondContact O-N 2.83Å
670K68.9Low76.9Confident103 Ų10342 Ų4245%0.44823%0.233SC..  trans-73.6124.6177.5-172.7179.3-178.6-177.20111.4V662 D663 P696V662-K670 CarbonylContact C-O 3.59Å; V662-K670 WeakPolarHBondContact CA-O 3.49Å; D663-K670 HydrophobicContact CB-CB 4.06Å; D663-K670 PolarHBondContact N-O 3.37Å; K670-P696 HydrophobicContact CB-CG 4.37Å; K670-P696 HydrophobicContact CD-CG 4.35Å; K670-P696 HydrophobicContact CG-CG 4.27Å
671E79.9Confident76.7Confident94 Ų9440.6 Ų40.644%0.43922%0.223SC..EExtended strand (participates in β ladder)trans-114.7142.4171.7-173.8-174.6-15600111.1S660 C661 V662 G669 K673S660-E671 WeakPolarHBondContact CB-OE1 3.44Å; C661-E671 WeakPolarHBondContact O-CA 3.4Å; V662-E671 HydrophobicContact CG1-CB 4.11Å; V662-E671 HydrophobicContact CG1-CG 3.86Å; G669-E671 PolarHBondContact O-N 2.83Å; E671-K673 VanDerWaalsContact CD-CE 3.41Å; E671-K673 WeakPolarHBondContact OE1-CE 3.32Å; E671-K673 IonicContact OE1-NZ 2.77Å; E671-K673 PolarHBondContact OE1-NZ 2.95Å; E671-K673 WeakPolarHBondContact OE2-CE 3.5Å; E671-K673 IonicContact OE2-NZ 2.91Å; E671-K673 PolarHBondContact OE2-NZ 3.47Å
672V80.7Confident76.1Confident23 Ų2341 Ų4114%0.13923%0.226CC..EExtended strand (participates in β ladder)trans-127.5152.3170.2-51.60000110.6S660 C661 C677 P696 V698S660-V672 VanDerWaalsContact CA-O 3.29Å; S660-V672 WeakPolarHBondContact CA-O 3.43Å; C661-V672 HydrophobicContact CB-CG2 3.92Å; C661-V672 PolarHBondContact N-O 3.06Å; C661-V672 PolarHBondContact O-N 3.09Å; V672-C677 HydrophobicContact CG2-CB 4.16Å; V672-P696 HydrophobicContact CG1-CB 4.35Å; V672-P696 HydrophobicContact CG1-CG 4.48Å; V672-P696 HydrophobicContact CG2-CB 4Å; V672-V698 HydrophobicContact CB-CG2 3.88Å; V672-V698 HydrophobicContact CG2-CG2 4.03Å
673K83Confident75.6Confident93 Ų9340.1 Ų40.140%0.40422%0.221SC..EExtended strand (participates in β ladder)trans-137141.2-173.7-80.9164.6171.4144.10112.3P658 A659 E671P658-K673 HydrophobicContact CB-CB 4.34Å; P658-K673 HydrophobicContact CG-CB 3.98Å; P658-K673 HydrophobicContact CG-CD 4.22Å; P658-K673 HydrophobicContact CG-CG 4.08Å; A659-K673 CarbonylContact O-C 3.52Å; A659-K673 VanDerWaalsContact O-CA 3.31Å; A659-K673 WeakPolarHBondContact O-CA 3.43Å; E671-K673 VanDerWaalsContact CD-CE 3.41Å; E671-K673 WeakPolarHBondContact OE1-CE 3.32Å; E671-K673 IonicContact OE1-NZ 2.77Å; E671-K673 PolarHBondContact OE1-NZ 2.95Å; E671-K673 WeakPolarHBondContact OE2-CE 3.5Å; E671-K673 IonicContact OE2-NZ 2.91Å; E671-K673 PolarHBondContact OE2-NZ 3.47Å
674G85.3Confident74.9Confident8 Ų841 Ų418%0.08223%0.228CC..EExtended strand (participates in β ladder)trans-173-161.3178.200000113.7P658 A659P658-G674 CarbonylContact C-O 3.51Å; P658-G674 VanDerWaalsContact CB-O 3.32Å; P658-G674 WeakPolarHBondContact CB-O 3.36Å; A659-G674 PolarHBondContact N-O 2.8Å; A659-G674 PolarHBondContact O-N 2.8Å
675Y88.6Confident74.2Confident40 Ų4043.5 Ų43.516%0.15724%0.236CC..SBendtrans-82.4-36.8164.7-75.2-89.2000111.3L601 L648 N649 G700 D701 Y736L601-Y675 WeakPolarHBondContact CD2-OH 3.43Å; L648-Y675 CarbonylContact C-O 3.51Å; L648-Y675 WeakPolarHBondContact CA-O 3.37Å; N649-Y675 PolarHBondContact N-O 3.03Å; N649-Y675 WeakPolarHBondContact O-CD1 3.23Å; Y675-G700 PolarHBondContact N-O 3.33Å; Y675-D701 WeakPolarHBondContact CD2-O 3.06Å; Y675-D701 WeakPolarHBondContact CE2-O 3.22Å; Y675-Y736 HydrophobicContact CD1-CD1 4.22Å; Y675-Y736 AromaticContact CD1-CE1 3.63Å; Y675-Y736 HydrophobicContact CD1-CE1 3.63Å; Y675-Y736 HydrophobicContact CD2-CD1 4.21Å; Y675-Y736 HydrophobicContact CD2-CE1 4.41Å; Y675-Y736 HydrophobicContact CE1-CE1 4.4Å; Y675-Y736 AromaticContact CG-CD1 3.75Å; Y675-Y736 HydrophobicContact CG-CD1 3.75Å; Y675-Y736 AromaticContact CG-CE1 3.63Å; Y675-Y736 HydrophobicContact CG-CE1 3.63Å
676V91.8Very high73.6Confident0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-135.5124.9177.5-175.50000109.1L648 I699 G700 Y736 A751 F785L648-V676 HydrophobicContact CD2-CG1 4.34Å; L648-V676 HydrophobicContact CD2-CG2 3.99Å; L648-V676 HydrophobicContact CG-CG1 4.12Å; L648-V676 HydrophobicContact CG-CG2 4.11Å; V676-I699 HydrophobicContact CB-CB 4.2Å; V676-I699 HydrophobicContact CG1-CB 3.89Å; V676-I699 HydrophobicContact CG1-CD1 4.08Å; V676-I699 HydrophobicContact CG1-CG2 4.19Å; V676-I699 PolarHBondContact O-N 2.84Å; V676-G700 PolarHBondContact N-O 3.19Å; V676-G700 PolarHBondContact O-N 2.58Å; V676-Y736 HydrophobicContact CG2-CD2 4.26Å; V676-A751 HydrophobicContact CB-CB 4.35Å; V676-A751 HydrophobicContact CG1-CB 4.39Å; V676-A751 HydrophobicContact CG2-CB 4.03Å; V676-F785 HydrophobicContact CG1-CE2 3.97Å; V676-F785 HydrophobicContact CG1-CZ 4.04Å
677C91.6Very high73.2Confident0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-135.4161.7172.767.90000111.8F646 N647 C661 V672 F697F646-C677 WeakPolarHBondContact CA-O 3.31Å; N647-C677 PolarHBondContact N-O 3.2Å; N647-C677 VanDerWaalsContact N-O 3.13Å; N647-C677 PolarHBondContact O-N 2.92Å; N647-C677 VanDerWaalsContact O-N 3.12Å; C661-C677 HydrophobicContact CB-CB 3.84Å; C661-C677 WeakPolarHBondContact CB-SG 3.42Å; C661-C677 PolarHBondContact N-SG 2.71Å; C661-C677 VanDerWaalsContact N-SG 3.37Å; C661-C677 WeakPolarHBondContact SG-CB 3.23Å; C661-C677 PolarHBondContact SG-O 3.28Å; C661-C677 CovalentContact SG-SG 2.05Å; C661-C677 PolarHBondContact SG-SG 2.9Å; V672-C677 HydrophobicContact CG2-CB 4.16Å; C677-F697 WeakPolarHBondContact CA-O 3.32Å; C677-F697 WeakPolarHBondContact CB-O 3.33Å
678Q90.9Very high73.3Confident11 Ų1155.7 Ų55.75%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-128.4150.3177.9177.1178.9-15.300110.7H644 H645 F646 P696 F697 I699H644-Q678 HydrophobicContact CB-CG 4.37Å; H644-Q678 PolarHBondContact ND1-NE2 2.86Å; H645-Q678 WeakPolarHBondContact O-CA 3.5Å; F646-Q678 HydrophobicContact CD1-CB 3.87Å; F646-Q678 HydrophobicContact CD1-CG 4.07Å; F646-Q678 HydrophobicContact CE1-CB 3.91Å; F646-Q678 HydrophobicContact CE1-CG 3.77Å; F646-Q678 VanDerWaalsContact CE1-OE1 3.24Å; F646-Q678 HydrophobicContact CZ-CG 4.27Å; Q678-P696 WeakPolarHBondContact O-CA 3.43Å; Q678-F697 HydrophobicContact CB-CE1 4.16Å; Q678-F697 HydrophobicContact CB-CE2 4.25Å; Q678-F697 HydrophobicContact CB-CZ 3.97Å; Q678-F697 HydrophobicContact CG-CE1 4.12Å; Q678-F697 HydrophobicContact CG-CZ 4.1Å; Q678-F697 PolarHBondContact N-O 2.83Å; Q678-F697 PolarHBondContact O-N 2.67Å; Q678-I699 HydrophobicContact CB-CD1 3.78Å
679S89Confident73.3Confident2 Ų255.3 Ų55.31%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-137.6157.5163.951.10000110.1H644 H645 S693H644-S679 WeakPolarHBondContact CA-O 3.38Å; H645-S679 PolarHBondContact N-O 3.42Å; H645-S679 PolarHBondContact O-N 3.39Å; H645-S679 PolarHBondContact O-OG 3.06Å; S679-S693 VanDerWaalsContact CB-OG 3.31Å; S679-S693 WeakPolarHBondContact CB-OG 3.05Å; S679-S693 PolarHBondContact OG-OG 3Å
680T84.7Confident73.2Confident5 Ų557.5 Ų57.53%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-98.9129.1174.6-65.70000109.2Y642 H644 S693 S694Y642-T680 HydrophobicContact CD2-CG2 4.16Å; H644-T680 PolarHBondContact ND1-OG1 3.04Å; T680-S693 CarbonylContact O-C 3.5Å; T680-S693 WeakPolarHBondContact O-CA 3.27Å; T680-S694 PolarHBondContact N-O 3.37Å; T680-S694 PolarHBondContact O-N 2.92Å
681V84Confident73.1Confident13 Ų1357.6 Ų57.68%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-119.4126.2-174.11800000110.3F643 H645 M691 V692F643-V681 PolarHBondContact N-O 2.9Å; F643-V681 PolarHBondContact O-N 2.76Å; H645-V681 HydrophobicContact CB-CG2 3.63Å; V681-M691 HydrophobicContact CG1-CB 3.73Å; V681-M691 HydrophobicContact CG1-CG 4.01Å; V681-M691 HydrophobicContact CG1-SD 3.97Å; V681-V692 WeakPolarHBondContact CA-O 3.25Å
682V74.9Confident72.7Confident11 Ų1153.4 Ų53.47%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-115.3132.3179.8-1770000109.5Y147 V692Y147-V682 HydrophobicContact CE2-CG1 4.35Å; Y147-V682 HydrophobicContact CE2-CG2 4.45Å; Y147-V682 VanDerWaalsContact OH-CG2 3.25Å; Y147-V682 WeakPolarHBondContact OH-CG2 3Å; V682-V692 PolarHBondContact N-O 2.83Å; V682-V692 PolarHBondContact O-N 3.07Å
683P71.1Confident72.6Confident31 Ų3152.9 Ų52.920%0.20127%0.269CS..EExtended strand (participates in β ladder)trans-64.8138.5173.1-20.834.3000111.9R641 F643 S690R641-P683 WeakPolarHBondContact O-CD 3.48Å; F643-P683 HydrophobicContact CD2-CG 4.33Å; F643-P683 HydrophobicContact CE2-CG 3.81Å; P683-S690 WeakPolarHBondContact CA-O 3.15Å
684S60.9Low72.2Confident30 Ų3048.6 Ų48.621%0.2125%0.251CS..  trans-116.8146.3177.1179.60000111.2I686 Q689 S690S684-I686 VanDerWaalsContact C-N 3.27Å; S684-I686 WeakPolarHBondContact OG-CG1 3.37Å; S684-I686 PolarHBondContact OG-N 3.31Å; S684-Q689 WeakPolarHBondContact CB-O 3.26Å; S684-S690 PolarHBondContact N-O 2.85Å
685E55.9Low71.8Confident143 Ų14351 Ų5167%0.66826%0.26SS*.  trans-85.21.8176.6-66.7177.7-160.800112.6R91 R687R91-E685 IonicContact CZ-OE1 3.57Å; R91-E685 IonicContact NE-OE1 3Å; R91-E685 PolarHBondContact NE-OE1 2.89Å; R91-E685 VanDerWaalsContact NE-OE1 3.17Å; R91-E685 IonicContact NH2-OE1 2.92Å; R91-E685 PolarHBondContact NH2-OE1 2.82Å; E685-R687 PolarHBondContact O-N 3.21Å
686I51.5Low71.7Confident42 Ų4249.4 Ų49.422%0.21525%0.254CS..  trans-71.6125.2-179.3-62.9173000110.2W166 S684 S688 Q689W166-I686 HydrophobicContact CH2-CD1 3.85Å; W166-I686 HydrophobicContact CZ2-CD1 3.44Å; W166-I686 VanDerWaalsContact CZ2-CD1 3.44Å; S684-I686 VanDerWaalsContact C-N 3.27Å; S684-I686 WeakPolarHBondContact OG-CG1 3.37Å; S684-I686 PolarHBondContact OG-N 3.31Å; I686-S688 WeakPolarHBondContact CG2-OG 3.08Å; I686-S688 PolarHBondContact O-N 3.06Å; I686-Q689 CarbonylContact O-C 3.24Å; I686-Q689 PolarHBondContact O-N 2.94Å; I686-Q689 VanDerWaalsContact O-N 3.11Å
687R47Very low71.4Confident263 Ų26352 Ų5299%0.99227%0.266SS*.THydrogen-bonded Turntrans-58-14.8-175.3-69.5-176.4176.4177.6-0.7115.8E685E685-R687 PolarHBondContact O-N 3.21Å
688S47.9Very low71.2Confident107 Ų10752.3 Ų52.375%0.74827%0.268SS*.THydrogen-bonded Turntrans-110.2-12.8-179.951.70000114.9I686I686-S688 WeakPolarHBondContact CG2-OG 3.08Å; I686-S688 PolarHBondContact O-N 3.06Å
689Q51.4Low71.1Confident97 Ų9751.8 Ų51.845%0.45327%0.265SS..  trans-144.3108.5178.7-72-174.2-6.300110.2S684 I686S684-Q689 WeakPolarHBondContact CB-O 3.26Å; I686-Q689 CarbonylContact O-C 3.24Å; I686-Q689 PolarHBondContact O-N 2.94Å; I686-Q689 VanDerWaalsContact O-N 3.11Å
690S57.7Low71.1Confident91 Ų9151.7 Ų51.764%0.63627%0.265SS*.SBendtrans-82.5-17.1-175.754.80000114.7P683 S684P683-S690 WeakPolarHBondContact CA-O 3.15Å; S684-S690 PolarHBondContact N-O 2.85Å
691M66.6Low71.2Confident105 Ų10552.7 Ų52.752%0.51727%0.27SS..EExtended strand (participates in β ladder)trans-146.3137.2-177.5-75-175.6174.800109.9V681V681-M691 HydrophobicContact CG1-CB 3.73Å; V681-M691 HydrophobicContact CG1-CG 4.01Å; V681-M691 HydrophobicContact CG1-SD 3.97Å
692V72.2Confident71.2Confident6 Ų655.1 Ų55.14%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-121.8136.2175.8-164.10000109.2W166 N664 V665 V681 V682W166-V692 HydrophobicContact CZ2-CG2 4.34Å; N664-V692 HydrophobicContact CB-CG1 4.41Å; V665-V692 HydrophobicContact CB-CG1 4.44Å; V665-V692 HydrophobicContact CG2-CG1 3.65Å; V681-V692 WeakPolarHBondContact CA-O 3.25Å; V682-V692 PolarHBondContact N-O 2.83Å; V682-V692 PolarHBondContact O-N 3.07Å
693S77.8Confident71.9Confident13 Ų1355.1 Ų55.19%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-104.2138.1-176.3-177.40000111.2V662 N664 S679 T680V662-S693 WeakPolarHBondContact O-CB 3.42Å; V662-S693 PolarHBondContact O-OG 3.49Å; N664-S693 PolarHBondContact N-O 2.79Å; S679-S693 VanDerWaalsContact CB-OG 3.31Å; S679-S693 WeakPolarHBondContact CB-OG 3.05Å; S679-S693 PolarHBondContact OG-OG 3Å; T680-S693 CarbonylContact O-C 3.5Å; T680-S693 WeakPolarHBondContact O-CA 3.27Å
694S76.1Confident72.7Confident2 Ų254.9 Ų54.91%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-143.7170.9177.775.60000113.1D663 T680D663-S694 VanDerWaalsContact OD2-CA 3.27Å; D663-S694 WeakPolarHBondContact OD2-CA 3.25Å; T680-S694 PolarHBondContact N-O 3.37Å; T680-S694 PolarHBondContact O-N 2.92Å
695Q76.8Confident74.1Confident60 Ų6053.4 Ų53.428%0.2827%0.271SS..EExtended strand (participates in β ladder)trans54.548.9170.5-60.2177.2-7.500114.7N144 D663N144-Q695 PolarHBondContact OD1-NE2 3.14Å; D663-Q695 PolarHBondContact OD2-N 2.89Å
696P85.9Confident75.8Confident6 Ų646.6 Ų46.64%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-70.9137-177.731.3-37.5000112.8C661 D663 K670 V672 Q678C661-P696 HydrophobicContact CB-CB 4.05Å; D663-P696 HydrophobicContact CB-CG 4.06Å; K670-P696 HydrophobicContact CB-CG 4.37Å; K670-P696 HydrophobicContact CD-CG 4.35Å; K670-P696 HydrophobicContact CG-CG 4.27Å; V672-P696 HydrophobicContact CG1-CB 4.35Å; V672-P696 HydrophobicContact CG1-CG 4.48Å; V672-P696 HydrophobicContact CG2-CB 4Å; Q678-P696 WeakPolarHBondContact O-CA 3.43Å
697F84.7Confident77.7Confident53 Ų5345.3 Ų45.323%0.23223%0.233CC..EExtended strand (participates in β ladder)trans-146.6158173.766.6-92.4000113.7C677 Q678 I699 R749 F783C677-F697 WeakPolarHBondContact CA-O 3.32Å; C677-F697 WeakPolarHBondContact CB-O 3.33Å; Q678-F697 HydrophobicContact CB-CE1 4.16Å; Q678-F697 HydrophobicContact CB-CE2 4.25Å; Q678-F697 HydrophobicContact CB-CZ 3.97Å; Q678-F697 HydrophobicContact CG-CE1 4.12Å; Q678-F697 HydrophobicContact CG-CZ 4.1Å; Q678-F697 PolarHBondContact N-O 2.83Å; Q678-F697 PolarHBondContact O-N 2.67Å; F697-I699 HydrophobicContact CD2-CG1 4.16Å; F697-I699 HydrophobicContact CE2-CD1 4.3Å; F697-I699 HydrophobicContact CE2-CG1 3.76Å; F697-R749 VanDerWaalsContact CD2-CZ 3.45Å; F697-F783 HydrophobicContact CE2-CZ 4.33Å; F697-F783 HydrophobicContact CZ-CZ 4.46Å
698V87.6Confident79.7Confident8 Ų834.8 Ų34.85%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-88138.8177.7-175.20000110.5V672 D701 R749V672-V698 HydrophobicContact CB-CG2 3.88Å; V672-V698 HydrophobicContact CG2-CG2 4.03Å; V698-D701 HydrophobicContact CG1-CB 4.21Å; V698-R749 PolarHBondContact O-NH1 3.23Å
699I90.1Very high81.7Confident0 Ų035.4 Ų35.40%019%0.189CC..EExtended strand (participates in β ladder)trans-106.5-35.4173.9-62.3167.7000110.4F646 V676 Q678 F697 S738 R749 A751 F783F646-I699 HydrophobicContact CD1-CD1 4.04Å; F646-I699 HydrophobicContact CE1-CD1 3.98Å; V676-I699 HydrophobicContact CB-CB 4.2Å; V676-I699 HydrophobicContact CG1-CB 3.89Å; V676-I699 HydrophobicContact CG1-CD1 4.08Å; V676-I699 HydrophobicContact CG1-CG2 4.19Å; V676-I699 PolarHBondContact O-N 2.84Å; Q678-I699 HydrophobicContact CB-CD1 3.78Å; F697-I699 HydrophobicContact CD2-CG1 4.16Å; F697-I699 HydrophobicContact CE2-CD1 4.3Å; F697-I699 HydrophobicContact CE2-CG1 3.76Å; I699-S738 WeakPolarHBondContact O-CB 3.46Å; I699-R749 CarbonylContact O-C 3.51Å; I699-R749 WeakPolarHBondContact O-CB 3.2Å; I699-A751 HydrophobicContact CG2-CB 3.9Å; I699-F783 HydrophobicContact CD1-CD1 3.77Å; I699-F783 HydrophobicContact CD1-CD2 4.32Å; I699-F783 HydrophobicContact CD1-CE1 3.8Å; I699-F783 HydrophobicContact CD1-CE2 4.36Å; I699-F783 HydrophobicContact CD1-CG 4.04Å; I699-F783 HydrophobicContact CD1-CZ 4.1Å; I699-F783 HydrophobicContact CG1-CD2 4.3Å; I699-F783 HydrophobicContact CG1-CE1 4.5Å; I699-F783 HydrophobicContact CG1-CE2 4.22Å; I699-F783 HydrophobicContact CG1-CG 4.48Å; I699-F783 HydrophobicContact CG1-CZ 4.32Å; I699-F783 HydrophobicContact CG2-CB 3.88Å; I699-F783 HydrophobicContact CG2-CD2 3.5Å; I699-F783 HydrophobicContact CG2-CE2 4.18Å; I699-F783 HydrophobicContact CG2-CG 3.72Å
700G88.5Confident83.4Confident0 Ų033.7 Ų33.70%019%0.185CC..EExtended strand (participates in β ladder)trans-151131.6172.400000113Y675 V676 K737Y675-G700 PolarHBondContact N-O 3.33Å; V676-G700 PolarHBondContact N-O 3.19Å; V676-G700 PolarHBondContact O-N 2.58Å; G700-K737 CarbonylContact C-O 3.44Å; G700-K737 VanDerWaalsContact CA-O 3.26Å; G700-K737 WeakPolarHBondContact CA-O 3.43Å
701D85.5Confident84.9Confident25 Ų2532.8 Ų32.813%0.13418%0.176CC..SBendtrans-116-15.1176.956.520.5000113.1Y675 V698 K737 S738 S739Y675-D701 WeakPolarHBondContact CD2-O 3.06Å; Y675-D701 WeakPolarHBondContact CE2-O 3.22Å; V698-D701 HydrophobicContact CG1-CB 4.21Å; D701-K737 PolarHBondContact N-O 2.96Å; D701-S738 WeakPolarHBondContact OD1-CA 3.47Å; D701-S739 PolarHBondContact OD1-N 2.88Å; D701-S739 VanDerWaalsContact OD2-CB 3.32Å; D701-S739 WeakPolarHBondContact OD2-CB 3.31Å; D701-S739 PolarHBondContact OD2-N 3.11Å; D701-S739 PolarHBondContact OD2-OG 2.91Å
702T85.2Confident86Confident64 Ų6429.1 Ų29.139%0.39316%0.158SC..EExtended strand (participates in β ladder)trans-128.1133.5-177.341.40000110.7Y736 K737T702-Y736 CarbonylContact O-C 3.59Å; T702-Y736 WeakPolarHBondContact O-CA 3.36Å; T702-K737 PolarHBondContact N-O 2.93Å; T702-K737 PolarHBondContact O-N 2.66Å; T702-K737 PolarHBondContact OG1-O 2.84Å
703L88.6Confident86.4Confident11 Ų1135 Ų356%0.05819%0.185CC..EExtended strand (participates in β ladder)trans-85123.7171.6177.769.2000109T591 F734 Y736T591-L703 HydrophobicContact CG2-CD2 3.66Å; T591-L703 HydrophobicContact CG2-CG 4.11Å; L703-F734 HydrophobicContact CD1-CD1 4.05Å; L703-Y736 HydrophobicContact CB-CD1 4.26Å; L703-Y736 HydrophobicContact CB-CE1 4.28Å; L703-Y736 HydrophobicContact CD1-CD1 4Å; L703-Y736 HydrophobicContact CD1-CE1 3.61Å
704I89.1Confident86.5Confident26 Ų2638.1 Ų38.113%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-88.4-42.6179.9-56.8-57.6000111G588 L712 E713 Y735 K737G588-I704 WeakPolarHBondContact CA-O 3.45Å; I704-L712 HydrophobicContact CG2-CD2 4.04Å; I704-L712 HydrophobicContact CG2-CG 4.27Å; I704-E713 HydrophobicContact CG2-CB 4.19Å; I704-E713 HydrophobicContact CG2-CG 3.76Å; I704-E713 WeakPolarHBondContact CG2-OE2 3.46Å; I704-Y735 WeakPolarHBondContact CB-O 3.23Å; I704-Y735 PolarHBondContact N-O 2.86Å; I704-K737 HydrophobicContact CD1-CB 3.85Å; I704-K737 HydrophobicContact CD1-CD 4.43Å; I704-K737 HydrophobicContact CG1-CB 3.99Å
705G90.2Very high87Confident0 Ų038.5 Ų38.50%022%0.222CC..EExtended strand (participates in β ladder)trans172.7171-179.700000113.4Y735G705-Y735 PolarHBondContact O-N 2.91Å
706V92.3Very high87.5Confident0 Ų038.3 Ų38.30%023%0.227CC..EExtended strand (participates in β ladder)trans-125.6121.6176.8-169.20000109.3P589 N590 T591 F606 V732 I733 F734P589-V706 CarbonylContact C-O 3.5Å; P589-V706 PolarHBondContact O-N 3.35Å; P589-V706 VanDerWaalsContact O-O 3.11Å; N590-V706 HydrophobicContact CB-CB 4.17Å; N590-V706 PolarHBondContact ND2-O 3.17Å; N590-V706 VanDerWaalsContact ND2-O 3.14Å; T591-V706 HydrophobicContact CG2-CG2 4.37Å; F606-V706 HydrophobicContact CD2-CB 4.15Å; F606-V706 HydrophobicContact CD2-CG1 3.6Å; F606-V706 HydrophobicContact CE2-CB 4.45Å; F606-V706 HydrophobicContact CE2-CG1 3.96Å; F606-V706 HydrophobicContact CG-CG1 4.34Å; V706-V732 HydrophobicContact CG1-CG1 3.64Å; V706-I733 WeakPolarHBondContact CA-O 3.27Å; V706-F734 HydrophobicContact CB-CZ 4.48Å; V706-F734 HydrophobicContact CG1-CD1 4.47Å; V706-F734 HydrophobicContact CG1-CD2 3.74Å; V706-F734 HydrophobicContact CG1-CE1 4.27Å; V706-F734 HydrophobicContact CG1-CE2 3.5Å; V706-F734 VanDerWaalsContact CG1-CE2 3.5Å; V706-F734 HydrophobicContact CG1-CG 4.21Å; V706-F734 HydrophobicContact CG1-CZ 3.79Å; V706-F734 HydrophobicContact CG2-CD1 3.54Å; V706-F734 HydrophobicContact CG2-CD2 4.3Å; V706-F734 HydrophobicContact CG2-CE1 3.47Å; V706-F734 VanDerWaalsContact CG2-CE1 3.47Å; V706-F734 HydrophobicContact CG2-CE2 4.23Å; V706-F734 HydrophobicContact CG2-CG 3.96Å; V706-F734 HydrophobicContact CG2-CZ 3.83Å
707T91.2Very high87.5Confident14 Ų1438 Ų389%0.08623%0.225CC..EExtended strand (participates in β ladder)trans-152.4160.8-175.4-176.60000111.5E709 L712 I733 Y735T707-E709 HydrophobicContact CG2-CB 4.08Å; T707-E709 PolarHBondContact OG1-N 2.87Å; T707-E709 VanDerWaalsContact OG1-N 3.1Å; T707-L712 HydrophobicContact CG2-CD2 4.31Å; T707-I733 PolarHBondContact N-O 2.92Å; T707-I733 WeakPolarHBondContact O-CA 3.35Å; T707-I733 PolarHBondContact O-N 2.94Å; T707-Y735 HydrophobicContact CG2-CD2 4.13Å; T707-Y735 HydrophobicContact CG2-CE2 3.74Å
708T88.6Confident87.6Confident42 Ų4236.7 Ų36.726%0.25822%0.222SC..SBendtrans-85.7-10.2167.547.30000112.7F606 P730 V732F606-T708 HydrophobicContact CE1-CG2 4.22Å; F606-T708 HydrophobicContact CZ-CG2 4.06Å; T708-P730 HydrophobicContact CG2-CB 3.71Å; T708-P730 HydrophobicContact CG2-CG 3.76Å; T708-V732 HydrophobicContact CG2-CG2 4.2Å
709E88.8Confident87.2Confident120 Ų12039.8 Ų39.856%0.56124%0.244SC*.SBendtrans-70.1141.5177.1-66.4-174.5163.100111.7T707 T711 Y735T707-E709 HydrophobicContact CG2-CB 4.08Å; T707-E709 PolarHBondContact OG1-N 2.87Å; T707-E709 VanDerWaalsContact OG1-N 3.1Å; E709-T711 PolarHBondContact O-N 3.09Å; E709-Y735 PolarHBondContact O-OH 3.34Å
710T87.6Confident86.7Confident61 Ų6147.4 Ų47.437%0.37427%0.273SS..SBendtrans-78.4-1.7-177.150.70000114.2S717 Y735T710-S717 PolarHBondContact O-N 2.95Å; T710-Y735 PolarHBondContact O-OH 2.72Å
711T89.3Confident86.4Confident73 Ų7347.8 Ų47.845%0.44828%0.275SS..EExtended strand (participates in β ladder)trans-141.3131.4-179.452.50000111.5E709 I715 Y735E709-T711 PolarHBondContact O-N 3.09Å; T711-I715 CarbonylContact C-O 3.57Å; T711-I715 VanDerWaalsContact CA-O 3.3Å; T711-I715 WeakPolarHBondContact CA-O 3.33Å; T711-Y735 PolarHBondContact N-OH 3.3Å
712L89.1Confident86.4Confident27 Ų2747.1 Ų47.114%0.14127%0.271CS..EExtended strand (participates in β ladder)trans-145.5132.5174.2-17165.1000110.7P589 I704 T707 G714 I715 Y735P589-L712 HydrophobicContact CG-CD1 4.21Å; P589-L712 HydrophobicContact CG-CD2 4.18Å; I704-L712 HydrophobicContact CG2-CD2 4.04Å; I704-L712 HydrophobicContact CG2-CG 4.27Å; T707-L712 HydrophobicContact CG2-CD2 4.31Å; L712-G714 PolarHBondContact O-N 3.44Å; L712-I715 PolarHBondContact N-O 2.95Å; L712-I715 WeakPolarHBondContact O-CB 3.45Å; L712-I715 PolarHBondContact O-N 3.27Å; L712-Y735 HydrophobicContact CB-CD1 4.22Å; L712-Y735 HydrophobicContact CB-CD2 3.78Å; L712-Y735 HydrophobicContact CB-CE1 4.34Å; L712-Y735 HydrophobicContact CB-CE2 3.93Å; L712-Y735 HydrophobicContact CB-CG 3.94Å; L712-Y735 HydrophobicContact CD2-CD2 3.79Å; L712-Y735 HydrophobicContact CD2-CG 4.11Å; L712-Y735 HydrophobicContact CG-CD2 4.45Å
713E81.1Confident86.2Confident129 Ų12947.8 Ų47.860%0.60328%0.277SS*.THydrogen-bonded Turntrans45.134.1-177.2-63.8-151.7144.200115.8I704 I715I704-E713 HydrophobicContact CG2-CB 4.19Å; I704-E713 HydrophobicContact CG2-CG 3.76Å; I704-E713 WeakPolarHBondContact CG2-OE2 3.46Å; E713-I715 VanDerWaalsContact C-N 3.32Å; E713-I715 PolarHBondContact O-N 3.33Å
714G80.5Confident85.5Confident80 Ų8053 Ų5383%0.82531%0.311SS*.THydrogen-bonded Turntrans85.7-8.4-178.200000115.2L712L712-G714 PolarHBondContact O-N 3.44Å
715I86.5Confident84.5Confident9 Ų953.9 Ų53.95%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-76.7126.1168.9-51.5164.3000107.8T711 L712 E713 Y735 T782T711-I715 CarbonylContact C-O 3.57Å; T711-I715 VanDerWaalsContact CA-O 3.3Å; T711-I715 WeakPolarHBondContact CA-O 3.33Å; L712-I715 PolarHBondContact N-O 2.95Å; L712-I715 WeakPolarHBondContact O-CB 3.45Å; L712-I715 PolarHBondContact O-N 3.27Å; E713-I715 VanDerWaalsContact C-N 3.32Å; E713-I715 PolarHBondContact O-N 3.33Å; I715-Y735 HydrophobicContact CB-CD1 3.85Å; I715-Y735 HydrophobicContact CB-CE1 4.13Å; I715-Y735 HydrophobicContact CD1-CD1 4.29Å; I715-Y735 HydrophobicContact CG2-CD1 3.71Å; I715-Y735 HydrophobicContact CG2-CE1 3.91Å; I715-T782 HydrophobicContact CG2-CG2 4.05Å
716S87.1Confident83.2Confident56 Ų5659.6 Ų59.639%0.39236%0.362SS..EExtended strand (participates in β ladder)trans-119121.5-177.2-175.70000111.2P718 H784S716-P718 WeakPolarHBondContact O-CD 3.47Å; S716-H784 PolarHBondContact O-CE1 2.81Å
717S86.4Confident81.7Confident0 Ų061.1 Ų61.10%037%0.37CS..  trans-123.378.1177.8-166.10000110.4T710 R754 H784T710-S717 PolarHBondContact O-N 2.95Å; S717-R754 PolarHBondContact O-NH2 2.81Å; S717-H784 PolarHBondContact OG-ND1 2.75Å
718P86Confident80.7Confident25 Ų2569.3 Ų69.316%0.16241%0.407CS..  trans-56153178.2-26.734.5000114S716 W720 R754S716-P718 WeakPolarHBondContact O-CD 3.47Å; P718-W720 HydrophobicContact CB-CD2 4.19Å; P718-W720 HydrophobicContact CB-CG 4.15Å; P718-W720 HydrophobicContact CB-CZ2 4.18Å; P718-W720 VanDerWaalsContact CB-NE1 3.29Å; P718-W720 HydrophobicContact CG-CZ2 4.08Å; P718-R754 PolarHBondContact O-NH1 3.06Å
719S79.9Confident80.2Confident74 Ų7468.3 Ų68.352%0.51740%0.4SS..G310 helixtrans-68.3-37.817650.10000112.7M721 F722S719-M721 PolarHBondContact O-N 3.01Å; S719-F722 PolarHBondContact O-N 2.86Å
720W80.2Confident79.9Confident159 Ų15964.6 Ų64.660%0.60239%0.386SS*.G310 helixtrans-64.7-9.4-176.461.5-107.9000115.5P718 F722 K772P718-W720 HydrophobicContact CB-CD2 4.19Å; P718-W720 HydrophobicContact CB-CG 4.15Å; P718-W720 HydrophobicContact CB-CZ2 4.18Å; P718-W720 VanDerWaalsContact CB-NE1 3.29Å; P718-W720 HydrophobicContact CG-CZ2 4.08Å; W720-F722 PolarHBondContact O-N 2.97Å; W720-K772 HydrophobicContact CZ3-CD 4.1Å
721M82.2Confident80Confident9 Ų962.9 Ų62.94%0.04438%0.375CS..G310 helixtrans-71.4-17.8177.8-124-169.8-6800113S719 P770 H784S719-M721 PolarHBondContact O-N 3.01Å; M721-P770 HydrophobicContact CB-CB 4.32Å; M721-P770 HydrophobicContact CG-CB 3.89Å; M721-P770 HydrophobicContact CG-CG 4.29Å; M721-P770 WeakPolarHBondContact O-CB 3.29Å; M721-P770 HydrophobicContact SD-CB 3.97Å; M721-P770 HydrophobicContact SD-CG 3.78Å; M721-H784 HydrophobicContact SD-CB 4.24Å
722F85.1Confident80Confident10 Ų1059.4 Ų59.44%0.04435%0.354CS..SBendtrans-124.3168.4-177.5-61.7-80.9000110.7S719 W720 P770 H784 L786S719-F722 PolarHBondContact O-N 2.86Å; W720-F722 PolarHBondContact O-N 2.97Å; F722-P770 HydrophobicContact CE1-CB 4.4Å; F722-P770 HydrophobicContact CE1-CG 3.86Å; F722-P770 HydrophobicContact CE2-CG 4.44Å; F722-P770 HydrophobicContact CZ-CG 3.75Å; F722-H784 HydrophobicContact CE2-CB 4.15Å; F722-H784 HydrophobicContact CZ-CB 3.82Å; F722-L786 HydrophobicContact CB-CD2 3.89Å; F722-L786 HydrophobicContact CD1-CB 3.32Å; F722-L786 HydrophobicContact CD1-CD2 3.82Å; F722-L786 HydrophobicContact CD1-CG 4.2Å; F722-L786 HydrophobicContact CD2-CB 4.49Å; F722-L786 HydrophobicContact CE1-CB 3.31Å; F722-L786 HydrophobicContact CE2-CB 4.48Å; F722-L786 HydrophobicContact CG-CB 3.93Å; F722-L786 HydrophobicContact CG-CD2 4.04Å; F722-L786 HydrophobicContact CZ-CB 3.92Å
723P81.3Confident80.2Confident79 Ų7958.2 Ų58.251%0.51335%0.347SS..PPolyproline II helixtrans-55144.7170.3-24.635.3000111.5R756P723-R756 PolarHBondContact O-NH1 2.85Å; P723-R756 PolarHBondContact O-NH2 3.49Å; P723-R756 VanDerWaalsContact O-NH2 3.12Å
724P74Confident80.8Confident121 Ų12152 Ų5279%0.78632%0.319SS*.PPolyproline II helixtrans-62.7142.8175.627.8-34.5000110.6
725A67.2Low81.4Confident43 Ų4348.2 Ų48.236%0.35528%0.279SS..PPolyproline II helixtrans-64.4143.1174.600000111.1
726S62.1Low81.6Confident120 Ų12047.8 Ų47.884%0.83928%0.277SS*.SBendtrans-85.2-10.4176.352.40000113.7
727L62.2Low81.8Confident32 Ų3247.8 Ų47.817%0.16827%0.27CS..SBendtrans-117.4155.5-178.9-71.4134.1000109.7L729 P822 Q824L727-L729 PolarHBondContact O-N 2.77Å; L727-P822 HydrophobicContact CD2-CB 4.37Å; L727-Q824 HydrophobicContact CD2-CB 4.4Å; L727-Q824 HydrophobicContact CD2-CG 3.81Å
728Q69.9Low81.7Confident187 Ų18748 Ų4887%0.87427%0.271SS*.SBendtrans-79.411.4177-67.3177.3-72.600113.6
729L77.8Confident81.2Confident20 Ų2049.1 Ų49.111%0.10528%0.28CS..SBendtrans-78.8141.4176.4-65173.6000110.8L727 C757 P794 Q824L727-L729 PolarHBondContact O-N 2.77Å; L729-C757 HydrophobicContact CD1-CB 3.79Å; L729-P794 HydrophobicContact CD1-CG 4.41Å; L729-P794 HydrophobicContact CD2-CG 4.41Å; L729-Q824 HydrophobicContact CD1-CB 4.21Å; L729-Q824 WeakPolarHBondContact CD1-O 3.45Å
730P83.1Confident80.8Confident42 Ų4248.3 Ų48.327%0.27327%0.27SS..PPolyproline II helixtrans-71.3137.9169.331.1-34000110.8T708T708-P730 HydrophobicContact CG2-CB 3.71Å; T708-P730 HydrophobicContact CG2-CG 3.76Å
731D88.3Confident80.4Confident25 Ų2544 Ų4413%0.13426%0.261CS..PPolyproline II helixtrans-69.1135.9169-61.3-45.6000109.7R754 L755 R756D731-R754 HydrophobicContact CB-CG 3.58Å; D731-R754 WeakPolarHBondContact OD2-CD 3.02Å; D731-R754 IonicContact OD2-NE 3.81Å; D731-L755 WeakPolarHBondContact CA-O 3.43Å; D731-R756 WeakPolarHBondContact OD1-CB 3.41Å; D731-R756 WeakPolarHBondContact OD1-CG 3.49Å; D731-R756 IonicContact OD1-CZ 3.23Å; D731-R756 IonicContact OD1-NE 2.81Å; D731-R756 PolarHBondContact OD1-NE 3.42Å; D731-R756 IonicContact OD1-NH2 2.77Å; D731-R756 IonicContact OD2-CZ 2.71Å; D731-R756 IonicContact OD2-NE 2.78Å; D731-R756 PolarHBondContact OD2-NE 2.98Å; D731-R756 IonicContact OD2-NH2 2.61Å; D731-R756 PolarHBondContact OD2-NH2 3.02Å
732V90.7Very high79.9Confident1 Ų145.5 Ų45.51%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-93.6132.6179.91800000109.8F606 Y618 F620 V706 T708 F734 L755F606-V732 HydrophobicContact CD1-CG1 3.92Å; F606-V732 HydrophobicContact CD1-CG2 3.89Å; F606-V732 HydrophobicContact CD2-CG1 4.2Å; F606-V732 HydrophobicContact CE1-CB 4.44Å; F606-V732 HydrophobicContact CE1-CG1 3.91Å; F606-V732 HydrophobicContact CE1-CG2 3.63Å; F606-V732 HydrophobicContact CE2-CG1 4.19Å; F606-V732 HydrophobicContact CG-CG1 4.08Å; F606-V732 HydrophobicContact CZ-CG1 4.07Å; F606-V732 HydrophobicContact CZ-CG2 4.36Å; Y618-V732 HydrophobicContact CD1-CG2 4.35Å; Y618-V732 HydrophobicContact CE1-CG2 3.96Å; Y618-V732 HydrophobicContact CE2-CG2 4.43Å; F620-V732 HydrophobicContact CE2-CG1 4.14Å; F620-V732 HydrophobicContact CZ-CB 4.13Å; F620-V732 HydrophobicContact CZ-CG1 3.94Å; F620-V732 HydrophobicContact CZ-CG2 4.3Å; V706-V732 HydrophobicContact CG1-CG1 3.64Å; T708-V732 HydrophobicContact CG2-CG2 4.2Å; V732-F734 HydrophobicContact CG1-CE2 4.33Å; V732-L755 PolarHBondContact N-O 2.98Å; V732-L755 PolarHBondContact O-N 2.98Å
733I92.8Very high78.6Confident1 Ų150.2 Ų50.21%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-121.9125.1-170.4-44.9176.6000110.9V706 T707 Y735 A752 V753 R754V706-I733 WeakPolarHBondContact CA-O 3.27Å; T707-I733 PolarHBondContact N-O 2.92Å; T707-I733 WeakPolarHBondContact O-CA 3.35Å; T707-I733 PolarHBondContact O-N 2.94Å; I733-Y735 HydrophobicContact CB-CD2 4.34Å; I733-Y735 HydrophobicContact CB-CE2 3.69Å; I733-Y735 HydrophobicContact CG2-CD2 3.97Å; I733-Y735 HydrophobicContact CG2-CE1 4.24Å; I733-Y735 HydrophobicContact CG2-CE2 3.46Å; I733-Y735 VanDerWaalsContact CG2-CE2 3.46Å; I733-A752 HydrophobicContact CG2-CB 4.12Å; I733-V753 WeakPolarHBondContact CA-O 3.38Å; I733-R754 VanDerWaalsContact CD1-NH2 3.25Å; I733-R754 HydrophobicContact CG1-CB 4.45Å; I733-R754 HydrophobicContact CG1-CG 4.41Å
734F93.3Very high78Confident0 Ų050.4 Ų50.40%030%0.301CS..EExtended strand (participates in β ladder)trans-95.8123170.7-75.1-115.4000109F620 L650 C651 L703 V706 V732 Y736 A752 V753 L755F620-F734 AromaticContact CD2-CE2 3.85Å; F620-F734 HydrophobicContact CD2-CE2 3.85Å; F620-F734 AromaticContact CD2-CZ 3.67Å; F620-F734 HydrophobicContact CD2-CZ 3.67Å; F620-F734 AromaticContact CE2-CE2 3.77Å; F620-F734 HydrophobicContact CE2-CE2 3.77Å; F620-F734 AromaticContact CE2-CZ 3.95Å; F620-F734 HydrophobicContact CE2-CZ 3.95Å; L650-F734 HydrophobicContact CD1-CB 4.3Å; L650-F734 HydrophobicContact CD1-CD1 3.92Å; L650-F734 HydrophobicContact CD1-CD2 3.81Å; L650-F734 HydrophobicContact CD1-CE1 4.18Å; L650-F734 HydrophobicContact CD1-CE2 4.09Å; L650-F734 HydrophobicContact CD1-CG 3.74Å; L650-F734 HydrophobicContact CD1-CZ 4.27Å; L650-F734 HydrophobicContact CG-CD1 4.3Å; L650-F734 HydrophobicContact CG-CE1 4.12Å; L650-F734 HydrophobicContact CG-CE2 4.44Å; L650-F734 HydrophobicContact CG-CZ 4.2Å; L650-F734 WeakPolarHBondContact O-CD1 3.4Å; L650-F734 WeakPolarHBondContact O-CE1 3.48Å; C651-F734 HydrophobicContact CB-CE1 4.07Å; L703-F734 HydrophobicContact CD1-CD1 4.05Å; V706-F734 HydrophobicContact CB-CZ 4.48Å; V706-F734 HydrophobicContact CG1-CD1 4.47Å; V706-F734 HydrophobicContact CG1-CD2 3.74Å; V706-F734 HydrophobicContact CG1-CE1 4.27Å; V706-F734 HydrophobicContact CG1-CE2 3.5Å; V706-F734 VanDerWaalsContact CG1-CE2 3.5Å; V706-F734 HydrophobicContact CG1-CG 4.21Å; V706-F734 HydrophobicContact CG1-CZ 3.79Å; V706-F734 HydrophobicContact CG2-CD1 3.54Å; V706-F734 HydrophobicContact CG2-CD2 4.3Å; V706-F734 HydrophobicContact CG2-CE1 3.47Å; V706-F734 VanDerWaalsContact CG2-CE1 3.47Å; V706-F734 HydrophobicContact CG2-CE2 4.23Å; V706-F734 HydrophobicContact CG2-CG 3.96Å; V706-F734 HydrophobicContact CG2-CZ 3.83Å; V732-F734 HydrophobicContact CG1-CE2 4.33Å; F734-Y736 HydrophobicContact CB-CE2 3.66Å; F734-Y736 WeakPolarHBondContact CD1-OH 3.45Å; F734-A752 WeakPolarHBondContact O-CA 2.99Å; F734-V753 HydrophobicContact CB-CB 4.38Å; F734-V753 PolarHBondContact N-O 2.87Å; F734-V753 PolarHBondContact O-N 2.9Å; F734-L755 HydrophobicContact CD2-CD1 3.99Å; F734-L755 HydrophobicContact CD2-CG 4.28Å; F734-L755 HydrophobicContact CE2-CD1 3.52Å; F734-L755 HydrophobicContact CE2-CG 4.3Å; F734-L755 HydrophobicContact CZ-CD1 4.45Å
735Y93.3Very high78.4Confident0 Ų044.9 Ų44.90%027%0.266CS..EExtended strand (participates in β ladder)trans-105.4127-179.9-72.2-88.7000111.2I704 G705 T707 E709 T710 T711 L712 I715 I733 A752I704-Y735 WeakPolarHBondContact CB-O 3.23Å; I704-Y735 PolarHBondContact N-O 2.86Å; G705-Y735 PolarHBondContact O-N 2.91Å; T707-Y735 HydrophobicContact CG2-CD2 4.13Å; T707-Y735 HydrophobicContact CG2-CE2 3.74Å; E709-Y735 PolarHBondContact O-OH 3.34Å; T710-Y735 PolarHBondContact O-OH 2.72Å; T711-Y735 PolarHBondContact N-OH 3.3Å; L712-Y735 HydrophobicContact CB-CD1 4.22Å; L712-Y735 HydrophobicContact CB-CD2 3.78Å; L712-Y735 HydrophobicContact CB-CE1 4.34Å; L712-Y735 HydrophobicContact CB-CE2 3.93Å; L712-Y735 HydrophobicContact CB-CG 3.94Å; L712-Y735 HydrophobicContact CD2-CD2 3.79Å; L712-Y735 HydrophobicContact CD2-CG 4.11Å; L712-Y735 HydrophobicContact CG-CD2 4.45Å; I715-Y735 HydrophobicContact CB-CD1 3.85Å; I715-Y735 HydrophobicContact CB-CE1 4.13Å; I715-Y735 HydrophobicContact CD1-CD1 4.29Å; I715-Y735 HydrophobicContact CG2-CD1 3.71Å; I715-Y735 HydrophobicContact CG2-CE1 3.91Å; I733-Y735 HydrophobicContact CB-CD2 4.34Å; I733-Y735 HydrophobicContact CB-CE2 3.69Å; I733-Y735 HydrophobicContact CG2-CD2 3.97Å; I733-Y735 HydrophobicContact CG2-CE1 4.24Å; I733-Y735 HydrophobicContact CG2-CE2 3.46Å; I733-Y735 VanDerWaalsContact CG2-CE2 3.46Å; Y735-A752 HydrophobicContact CD1-CB 4.14Å; Y735-A752 HydrophobicContact CE1-CB 3.99Å
736Y91.7Very high78.7Confident0 Ų051 Ų510%028%0.284CS..EExtended strand (participates in β ladder)trans-122.3152.7177.6-50.9-91.7000111.4L650 Y675 V676 T702 L703 F734 S750 A751 V753L650-Y736 WeakPolarHBondContact CA-OH 3.2Å; L650-Y736 PolarHBondContact O-OH 3.17Å; Y675-Y736 HydrophobicContact CD1-CD1 4.22Å; Y675-Y736 AromaticContact CD1-CE1 3.63Å; Y675-Y736 HydrophobicContact CD1-CE1 3.63Å; Y675-Y736 HydrophobicContact CD2-CD1 4.21Å; Y675-Y736 HydrophobicContact CD2-CE1 4.41Å; Y675-Y736 HydrophobicContact CE1-CE1 4.4Å; Y675-Y736 AromaticContact CG-CD1 3.75Å; Y675-Y736 HydrophobicContact CG-CD1 3.75Å; Y675-Y736 AromaticContact CG-CE1 3.63Å; Y675-Y736 HydrophobicContact CG-CE1 3.63Å; V676-Y736 HydrophobicContact CG2-CD2 4.26Å; T702-Y736 CarbonylContact O-C 3.59Å; T702-Y736 WeakPolarHBondContact O-CA 3.36Å; L703-Y736 HydrophobicContact CB-CD1 4.26Å; L703-Y736 HydrophobicContact CB-CE1 4.28Å; L703-Y736 HydrophobicContact CD1-CD1 4Å; L703-Y736 HydrophobicContact CD1-CE1 3.61Å; F734-Y736 HydrophobicContact CB-CE2 3.66Å; F734-Y736 WeakPolarHBondContact CD1-OH 3.45Å; Y736-S750 CarbonylContact O-C 3.58Å; Y736-S750 VanDerWaalsContact O-CA 3.23Å; Y736-S750 WeakPolarHBondContact O-CA 3.29Å; Y736-S750 VanDerWaalsContact O-CB 3.26Å; Y736-S750 WeakPolarHBondContact O-CB 3.47Å; Y736-A751 HydrophobicContact CD2-CB 4.17Å; Y736-A751 PolarHBondContact N-O 2.68Å; Y736-A751 PolarHBondContact O-N 2.78Å; Y736-V753 HydrophobicContact CD2-CG2 4.25Å; Y736-V753 HydrophobicContact CE2-CB 4.15Å; Y736-V753 HydrophobicContact CE2-CG2 3.71Å
737K89.8Confident79.4Confident55 Ų5552.8 Ų52.824%0.23928%0.279CS..EExtended strand (participates in β ladder)trans-129.9156.4172.8-158.6163-173.1162.80109.7G700 D701 T702 I704 Q747G700-K737 CarbonylContact C-O 3.44Å; G700-K737 VanDerWaalsContact CA-O 3.26Å; G700-K737 WeakPolarHBondContact CA-O 3.43Å; D701-K737 PolarHBondContact N-O 2.96Å; T702-K737 PolarHBondContact N-O 2.93Å; T702-K737 PolarHBondContact O-N 2.66Å; T702-K737 PolarHBondContact OG1-O 2.84Å; I704-K737 HydrophobicContact CD1-CB 3.85Å; I704-K737 HydrophobicContact CD1-CD 4.43Å; I704-K737 HydrophobicContact CG1-CB 3.99Å; K737-Q747 WeakPolarHBondContact CE-O 3.31Å
738S85.7Confident80.3Confident5 Ų551.6 Ų51.64%0.03528%0.275CS..  trans-107.8141.8170.1-179.70000110.5I699 D701 D740 R749I699-S738 WeakPolarHBondContact O-CB 3.46Å; D701-S738 WeakPolarHBondContact OD1-CA 3.47Å; S738-D740 PolarHBondContact OG-N 3.06Å; S738-D740 VanDerWaalsContact OG-N 3.14Å; S738-R749 PolarHBondContact N-O 3.02Å
739S74.3Confident81.2Confident49 Ų4944.6 Ų44.634%0.34324%0.241SC..SBendtrans-70.5-17.9168.962.40000113.6D701 T741D701-S739 PolarHBondContact OD1-N 2.88Å; D701-S739 VanDerWaalsContact OD2-CB 3.32Å; D701-S739 WeakPolarHBondContact OD2-CB 3.31Å; D701-S739 PolarHBondContact OD2-N 3.11Å; D701-S739 PolarHBondContact OD2-OG 2.91Å; S739-T741 PolarHBondContact O-N 3.36Å
740D71.6Confident81.9Confident57 Ų5744.1 Ų44.131%0.30524%0.239SC..  trans-79.2109.1178.6-71.9-29.6000111.9S738 G748S738-D740 PolarHBondContact OG-N 3.06Å; S738-D740 VanDerWaalsContact OG-N 3.14Å; D740-G748 WeakPolarHBondContact O-CA 3.29Å
741T72.6Confident82.4Confident67 Ų6742.1 Ų42.141%0.41123%0.226SC..  trans-90.8142.4171.361.20000111.8S739S739-T741 PolarHBondContact O-N 3.36Å
742T70.9Confident82.7Confident41 Ų4141 Ų4125%0.25222%0.22SC..  trans-124.6165.7174.168.30000111.6A744 C745 K746T742-A744 PolarHBondContact O-N 2.83Å; T742-A744 VanDerWaalsContact O-N 3.11Å; T742-C745 PolarHBondContact N-O 3.08Å; T742-C745 VanDerWaalsContact N-O 3.15Å; T742-C745 CarbonylContact O-C 3.49Å; T742-C745 PolarHBondContact O-N 3.29Å; T742-C745 VanDerWaalsContact O-N 3.08Å; T742-C745 WeakPolarHBondContact OG1-CB 3.45Å; T742-C745 PolarHBondContact OG1-N 3.07Å; T742-K746 PolarHBondContact O-N 3.49Å
743Q57.6Low82.8Confident109 Ų10941 Ų4151%0.50922%0.22SC..SBendtrans-46.5-39172.7-174.5177.183.500113.8E472 Q473E472-Q743 WeakPolarHBondContact OE2-CB 3.31Å; E472-Q743 PolarHBondContact OE2-N 2.68Å; Q473-Q743 PolarHBondContact O-NE2 2.81Å
744A69.9Low82.8Confident83 Ų8341.1 Ų41.169%0.68622%0.22SC*.SBendtrans-78.7-50.8173.900000111.8T742 K746T742-A744 PolarHBondContact O-N 2.83Å; T742-A744 VanDerWaalsContact O-N 3.11Å; A744-K746 PolarHBondContact O-N 2.92Å
745C81.2Confident82.7Confident6 Ų641.2 Ų41.24%0.04122%0.221CC..  trans-99.971-173.2-50.60000111.4T742 Q747 G748 R749 G780 C781T742-C745 PolarHBondContact N-O 3.08Å; T742-C745 VanDerWaalsContact N-O 3.15Å; T742-C745 CarbonylContact O-C 3.49Å; T742-C745 PolarHBondContact O-N 3.29Å; T742-C745 VanDerWaalsContact O-N 3.08Å; T742-C745 WeakPolarHBondContact OG1-CB 3.45Å; T742-C745 PolarHBondContact OG1-N 3.07Å; C745-Q747 PolarHBondContact O-N 3.32Å; C745-Q747 VanDerWaalsContact O-N 3.12Å; C745-G748 PolarHBondContact O-N 3.02Å; C745-R749 HydrophobicContact CB-CG 4.36Å; C745-G780 PolarHBondContact SG-O 3.29Å; C745-C781 WeakPolarHBondContact CA-SG 3.41Å; C745-C781 HydrophobicContact CB-CB 3.83Å; C745-C781 WeakPolarHBondContact CB-SG 3.31Å; C745-C781 WeakPolarHBondContact SG-CA 3.06Å; C745-C781 WeakPolarHBondContact SG-CB 3.43Å; C745-C781 CovalentContact SG-SG 2.04Å; C745-C781 PolarHBondContact SG-SG 3.12Å
746K75.1Confident82.5Confident171 Ų17142 Ų4274%0.74322%0.224SC*.THydrogen-bonded Turntrans-62.9-17.3-175.5-63.8-174.2179.6-178.10115.1T742 A744T742-K746 PolarHBondContact O-N 3.49Å; A744-K746 PolarHBondContact O-N 2.92Å
747Q75.9Confident82.3Confident157 Ų15742.5 Ų42.573%0.73423%0.227SC*.THydrogen-bonded Turntrans-103.110.9176.8-62.6-169.90.100113.3K737 C745K737-Q747 WeakPolarHBondContact CE-O 3.31Å; C745-Q747 PolarHBondContact O-N 3.32Å; C745-Q747 VanDerWaalsContact O-N 3.12Å
748G80Confident82.1Confident8 Ų842 Ų428%0.08223%0.227CC..  trans87.1168.8-167.500000111.8D740 C745D740-G748 WeakPolarHBondContact O-CA 3.29Å; C745-G748 PolarHBondContact O-N 3.02Å
749R90.2Very high81.8Confident40 Ų4043 Ų4315%0.15123%0.233CC..  trans-78.5162.3163.3-66.6-171.4-174.191.4-0.6110.5F697 V698 I699 S738 C745 C781F697-R749 VanDerWaalsContact CD2-CZ 3.45Å; V698-R749 PolarHBondContact O-NH1 3.23Å; I699-R749 CarbonylContact O-C 3.51Å; I699-R749 WeakPolarHBondContact O-CB 3.2Å; S738-R749 PolarHBondContact N-O 3.02Å; C745-R749 HydrophobicContact CB-CG 4.36Å; R749-C781 CarbonylContact C-O 3.49Å; R749-C781 WeakPolarHBondContact CA-O 3.17Å
750S92.8Very high81.9Confident10 Ų1046.7 Ų46.77%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-142.7156172.3610000112Y736 C781 F783Y736-S750 CarbonylContact O-C 3.58Å; Y736-S750 VanDerWaalsContact O-CA 3.23Å; Y736-S750 WeakPolarHBondContact O-CA 3.29Å; Y736-S750 VanDerWaalsContact O-CB 3.26Å; Y736-S750 WeakPolarHBondContact O-CB 3.47Å; S750-C781 PolarHBondContact N-O 2.92Å; S750-F783 PolarHBondContact O-N 3.15Å
751A93.7Very high81.9Confident0 Ų045.4 Ų45.40%025%0.252CS..EExtended strand (participates in β ladder)trans-129.2139.9172.200000110.9V676 I699 Y736 F783 F785V676-A751 HydrophobicContact CB-CB 4.35Å; V676-A751 HydrophobicContact CG1-CB 4.39Å; V676-A751 HydrophobicContact CG2-CB 4.03Å; I699-A751 HydrophobicContact CG2-CB 3.9Å; Y736-A751 HydrophobicContact CD2-CB 4.17Å; Y736-A751 PolarHBondContact N-O 2.68Å; Y736-A751 PolarHBondContact O-N 2.78Å; A751-F783 CarbonylContact C-O 3.57Å; A751-F783 VanDerWaalsContact CA-O 3.31Å; A751-F783 WeakPolarHBondContact CA-O 3.31Å; A751-F783 HydrophobicContact CB-CB 4.46Å; A751-F785 HydrophobicContact CB-CE2 4.02Å
752A94.3Very high81.4Confident0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-118.1107168.300000108.9I733 F734 Y735 F783 F785I733-A752 HydrophobicContact CG2-CB 4.12Å; F734-A752 WeakPolarHBondContact O-CA 2.99Å; Y735-A752 HydrophobicContact CD1-CB 4.14Å; Y735-A752 HydrophobicContact CE1-CB 3.99Å; A752-F783 PolarHBondContact N-O 2.76Å; A752-F785 PolarHBondContact O-N 2.81Å
753V93.1Very high80.6Confident2 Ų253.6 Ų53.61%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-95.5109.2176.5-178.30000108.1L648 L650 I733 F734 Y736 L755 F785 W787L648-V753 HydrophobicContact CD2-CG2 3.63Å; L650-V753 HydrophobicContact CD1-CG1 4.09Å; I733-V753 WeakPolarHBondContact CA-O 3.38Å; F734-V753 HydrophobicContact CB-CB 4.38Å; F734-V753 PolarHBondContact N-O 2.87Å; F734-V753 PolarHBondContact O-N 2.9Å; Y736-V753 HydrophobicContact CD2-CG2 4.25Å; Y736-V753 HydrophobicContact CE2-CB 4.15Å; Y736-V753 HydrophobicContact CE2-CG2 3.71Å; V753-L755 HydrophobicContact CG1-CD2 4.23Å; V753-F785 HydrophobicContact CG2-CB 4.41Å; V753-F785 HydrophobicContact CG2-CD2 3.94Å; V753-W787 HydrophobicContact CG1-CE3 4.14Å
754R92.3Very high80.5Confident4 Ų457.3 Ų57.32%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-93.7118179.2175.2175-891310.8109.6S717 P718 D731 I733 F785 L786 W787S717-R754 PolarHBondContact O-NH2 2.81Å; P718-R754 PolarHBondContact O-NH1 3.06Å; D731-R754 HydrophobicContact CB-CG 3.58Å; D731-R754 WeakPolarHBondContact OD2-CD 3.02Å; D731-R754 IonicContact OD2-NE 3.81Å; I733-R754 VanDerWaalsContact CD1-NH2 3.25Å; I733-R754 HydrophobicContact CG1-CB 4.45Å; I733-R754 HydrophobicContact CG1-CG 4.41Å; R754-F785 WeakPolarHBondContact CB-O 3.31Å; R754-F785 PolarHBondContact N-O 3.09Å; R754-L786 HydrophobicContact CB-CD1 4.47Å; R754-L786 HydrophobicContact CG-CD1 3.97Å; R754-L786 CarbonylContact O-C 3.53Å; R754-L786 WeakPolarHBondContact O-CA 3.07Å; R754-W787 PolarHBondContact O-N 2.8Å
755L90.4Very high80Confident2 Ų256.5 Ų56.51%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-91.3134.8172.2-52.8-176.8000109.8F620 L650 D731 V732 F734 V753 W787 A792F620-L755 HydrophobicContact CD1-CD1 3.49Å; F620-L755 VanDerWaalsContact CD1-CD1 3.49Å; F620-L755 HydrophobicContact CD2-CD1 4.02Å; F620-L755 HydrophobicContact CE1-CD1 3.47Å; F620-L755 VanDerWaalsContact CE1-CD1 3.47Å; F620-L755 HydrophobicContact CE2-CD1 3.97Å; F620-L755 HydrophobicContact CG-CD1 3.77Å; F620-L755 HydrophobicContact CZ-CD1 3.72Å; L650-L755 HydrophobicContact CD1-CD1 4.31Å; L650-L755 HydrophobicContact CD1-CD2 3.98Å; L650-L755 HydrophobicContact CD1-CG 4.46Å; L650-L755 HydrophobicContact CD2-CD1 3.93Å; L650-L755 HydrophobicContact CD2-CD2 4.13Å; D731-L755 WeakPolarHBondContact CA-O 3.43Å; V732-L755 PolarHBondContact N-O 2.98Å; V732-L755 PolarHBondContact O-N 2.98Å; F734-L755 HydrophobicContact CD2-CD1 3.99Å; F734-L755 HydrophobicContact CD2-CG 4.28Å; F734-L755 HydrophobicContact CE2-CD1 3.52Å; F734-L755 HydrophobicContact CE2-CG 4.3Å; F734-L755 HydrophobicContact CZ-CD1 4.45Å; V753-L755 HydrophobicContact CG1-CD2 4.23Å; L755-W787 WeakPolarHBondContact CA-O 3.14Å; L755-W787 HydrophobicContact CD2-CB 3.86Å; L755-W787 HydrophobicContact CD2-CD2 4.05Å; L755-W787 HydrophobicContact CD2-CE3 4.13Å; L755-W787 HydrophobicContact CD2-CG 3.97Å; L755-A792 HydrophobicContact CB-CB 3.91Å
756R89Confident79.6Confident15 Ų1561.3 Ų61.36%0.05731%0.313CS..EExtended strand (participates in β ladder)trans-130125.6178.5174.4172.9-69.9172.1-3.6112.1P723 D731 N758 L786 W787 E788 S789 A792P723-R756 PolarHBondContact O-NH1 2.85Å; P723-R756 PolarHBondContact O-NH2 3.49Å; P723-R756 VanDerWaalsContact O-NH2 3.12Å; D731-R756 WeakPolarHBondContact OD1-CB 3.41Å; D731-R756 WeakPolarHBondContact OD1-CG 3.49Å; D731-R756 IonicContact OD1-CZ 3.23Å; D731-R756 IonicContact OD1-NE 2.81Å; D731-R756 PolarHBondContact OD1-NE 3.42Å; D731-R756 IonicContact OD1-NH2 2.77Å; D731-R756 IonicContact OD2-CZ 2.71Å; D731-R756 IonicContact OD2-NE 2.78Å; D731-R756 PolarHBondContact OD2-NE 2.98Å; D731-R756 IonicContact OD2-NH2 2.61Å; D731-R756 PolarHBondContact OD2-NH2 3.02Å; R756-N758 PolarHBondContact O-N 2.04Å; R756-L786 HydrophobicContact CB-CD1 3.67Å; R756-W787 PolarHBondContact N-O 2.81Å; R756-E788 HydrophobicContact CB-CG 4.24Å; R756-E788 VanDerWaalsContact CD-OE1 3.28Å; R756-E788 WeakPolarHBondContact CD-OE1 3.45Å; R756-E788 HydrophobicContact CG-CG 4.45Å; R756-E788 IonicContact NH1-OE1 3Å; R756-E788 PolarHBondContact NH1-OE1 2.84Å; R756-S789 PolarHBondContact O-N 2.83Å; R756-S789 VanDerWaalsContact O-N 3.15Å; R756-A792 VanDerWaalsContact C-CB 3.41Å; R756-A792 WeakPolarHBondContact O-CB 3.35Å
757C87.4Confident80.1Confident12 Ų1254 Ų548%0.08128%0.282CS..EExtended strand (participates in β ladder)trans-58.1119.3173.5174.50000111.7L729 A792 C793L729-C757 HydrophobicContact CD1-CB 3.79Å; C757-A792 PolarHBondContact N-O 2.81Å; C757-C793 WeakPolarHBondContact CA-SG 3.38Å; C757-C793 HydrophobicContact CB-CB 3.85Å; C757-C793 WeakPolarHBondContact CB-SG 3.18Å; C757-C793 VanDerWaalsContact SG-CA 3.51Å; C757-C793 WeakPolarHBondContact SG-CB 3.49Å; C757-C793 CovalentContact SG-SG 2.04Å; C757-C793 PolarHBondContact SG-SG 3.42Å
758N85.5Confident80.7Confident45 Ų4548.6 Ų48.624%0.24126%0.26CS..  trans-138.892.8167.6-172.6-15.7000109.5R756 T760 A761 E788 S789 Q790R756-N758 PolarHBondContact O-N 2.04Å; N758-T760 PolarHBondContact O-N 2.04Å; N758-T760 VanDerWaalsContact O-N 3.14Å; N758-T760 PolarHBondContact OD1-N 3.49Å; N758-T760 PolarHBondContact OD1-OG1 3.1Å; N758-A761 HydrophobicContact CB-CB 4.05Å; N758-A761 WeakPolarHBondContact O-CB 3.43Å; N758-A761 PolarHBondContact O-N 3.35Å; N758-A761 VanDerWaalsContact O-N 3.17Å; N758-A761 PolarHBondContact OD1-N 3.01Å; N758-E788 HydrophobicContact CB-CB 4.47Å; N758-S789 PolarHBondContact N-O 3.45Å; N758-S789 VanDerWaalsContact N-O 3.07Å; N758-S789 CarbonylContact O-C 3.48Å; N758-Q790 VanDerWaalsContact O-CA 3.31Å; N758-Q790 WeakPolarHBondContact O-CA 3.04Å; N758-Q790 PolarHBondContact O-N 2.82Å
759P79.4Confident81.1Confident24 Ų2449.8 Ų49.816%0.15626%0.264CS..THydrogen-bonded Turntrans-75.90.1-170.131.8-35.5000114.1L823P759-L823 HydrophobicContact CB-CD2 4.17Å; P759-L823 HydrophobicContact CB-CG 4.44Å
760T76.8Confident80.9Confident128 Ų12847.9 Ų47.979%0.78526%0.257SS*.THydrogen-bonded Turntrans-109.8-0.9172.556.70000113.2N758N758-T760 PolarHBondContact O-N 2.04Å; N758-T760 VanDerWaalsContact O-N 3.14Å; N758-T760 PolarHBondContact OD1-N 3.49Å; N758-T760 PolarHBondContact OD1-OG1 3.1Å
761A72.1Confident80.3Confident30 Ų3052.7 Ų52.725%0.24829%0.29CS..  trans-7213017200000110.7N758 Q790N758-A761 HydrophobicContact CB-CB 4.05Å; N758-A761 WeakPolarHBondContact O-CB 3.43Å; N758-A761 PolarHBondContact O-N 3.35Å; N758-A761 VanDerWaalsContact O-N 3.17Å; N758-A761 PolarHBondContact OD1-N 3.01Å; A761-Q790 PolarHBondContact O-OE1 2.88Å
762N62.3Low79.7Confident129 Ų12959.7 Ų59.769%0.6932%0.321SS*.  trans-118.9161.4-176.9-160.6-1.3000111.2K764N762-K764 PolarHBondContact O-N 2.72Å
763I54.9Low79.2Confident150 Ų15060.5 Ų60.577%0.76933%0.326SS*.SBendtrans-39.686.2-160.3-56.1154.6000115.4
764K55.2Low78.4Confident187 Ų18762.6 Ų62.681%0.81334%0.341SS*.SBendtrans-176.1110.6136.6-103.3174.5-176-178.20107.4N762 L766N762-K764 PolarHBondContact O-N 2.72Å; K764-L766 PolarHBondContact O-N 3.42Å; K764-L766 VanDerWaalsContact O-N 3.12Å
765D58.7Low77.7Confident66 Ų6665.3 Ų65.335%0.35335%0.354SS..  trans-56.2114.1-174.7-71.8-77.2000112.6L623 I767 W787 S789L623-D765 WeakPolarHBondContact CD2-OD1 3.46Å; D765-I767 PolarHBondContact O-N 2.88Å; D765-I767 VanDerWaalsContact O-N 3.1Å; D765-W787 HydrophobicContact CB-CZ2 4.12Å; D765-W787 VanDerWaalsContact CB-NE1 3.32Å; D765-W787 VanDerWaalsContact CG-NE1 3.27Å; D765-W787 PolarHBondContact OD1-NE1 3.32Å; D765-S789 VanDerWaalsContact OD1-CB 3.26Å; D765-S789 WeakPolarHBondContact OD1-CB 3.31Å; D765-S789 PolarHBondContact OD1-OG 2.94Å
766L72.3Confident77.4Confident108 Ų10865.2 Ų65.257%0.56535%0.353SS*.EExtended strand (participates in β ladder)trans-87.184-174.5-170.672.2000109.7K764 T768 E788K764-L766 PolarHBondContact O-N 3.42Å; K764-L766 VanDerWaalsContact O-N 3.12Å; L766-T768 HydrophobicContact CD2-CG2 4.15Å; L766-T768 HydrophobicContact CG-CG2 3.88Å; L766-E788 PolarHBondContact O-N 2.03Å
767I86.6Confident77.3Confident18 Ų1865.3 Ų65.39%0.09236%0.356CS..EExtended strand (participates in β ladder)trans-76.4124.1169.8-52.6176.9000108.8F629 D765 F785 L786 W787F629-I767 HydrophobicContact CD1-CB 3.88Å; F629-I767 HydrophobicContact CD1-CD1 3.94Å; F629-I767 HydrophobicContact CD1-CG1 4.49Å; F629-I767 HydrophobicContact CD1-CG2 3.81Å; F629-I767 HydrophobicContact CE1-CB 4.05Å; F629-I767 HydrophobicContact CE1-CD1 4.41Å; F629-I767 HydrophobicContact CE1-CG2 3.43Å; F629-I767 VanDerWaalsContact CE1-CG2 3.43Å; F629-I767 HydrophobicContact CE2-CG2 4.36Å; F629-I767 HydrophobicContact CG-CB 4.14Å; F629-I767 HydrophobicContact CG-CG2 4.41Å; F629-I767 HydrophobicContact CZ-CB 4.47Å; F629-I767 HydrophobicContact CZ-CG2 3.76Å; D765-I767 PolarHBondContact O-N 2.88Å; D765-I767 VanDerWaalsContact O-N 3.1Å; I767-F785 HydrophobicContact CG2-CB 4.13Å; I767-F785 HydrophobicContact CG2-CD1 4.35Å; I767-L786 CarbonylContact C-O 3.59Å; I767-L786 WeakPolarHBondContact CA-O 3.47Å; I767-W787 HydrophobicContact CD1-CD2 4.07Å; I767-W787 HydrophobicContact CD1-CE3 3.85Å; I767-W787 HydrophobicContact CD1-CZ3 4.11Å; I767-W787 HydrophobicContact CG1-CB 4.27Å; I767-W787 HydrophobicContact CG1-CD2 3.95Å; I767-W787 HydrophobicContact CG1-CE3 4.19Å; I767-W787 HydrophobicContact CG1-CG 3.99Å
768T87.6Confident77.2Confident43 Ų4368.3 Ų68.326%0.26438%0.376SS..EExtended strand (participates in β ladder)trans-122.3148-176.759.90000111.5L766 L786L766-T768 HydrophobicContact CD2-CG2 4.15Å; L766-T768 HydrophobicContact CG-CG2 3.88Å; T768-L786 PolarHBondContact N-O 3.08Å; T768-L786 PolarHBondContact O-N 2.81Å; T768-L786 WeakPolarHBondContact OG1-CB 3.31Å; T768-L786 PolarHBondContact OG1-O 2.97Å; T768-L786 VanDerWaalsContact OG1-O 3.14Å
769L88.5Confident77.1Confident32 Ų3270.6 Ų70.617%0.16839%0.388CS..  trans-97.2153.5175.6-58.6-179.5000110.2F629 F646 S771 S774 F785F629-L769 HydrophobicContact CE2-CD1 4.47Å; F629-L769 HydrophobicContact CE2-CD2 4.06Å; F629-L769 HydrophobicContact CE2-CG 4.15Å; F629-L769 HydrophobicContact CZ-CD2 3.74Å; F629-L769 HydrophobicContact CZ-CG 4.34Å; F646-L769 HydrophobicContact CE2-CD1 4.24Å; L769-S771 PolarHBondContact O-N 3.47Å; L769-S774 WeakPolarHBondContact CD1-O 3.03Å; L769-F785 HydrophobicContact CD2-CD1 3.69Å; L769-F785 HydrophobicContact CD2-CE1 3.85Å
770P87Confident77.3Confident1 Ų171.3 Ų71.31%0.00640%0.4CS..  trans-57.5134177.5-2130.1000111.7M721 F722 K772 C773 H784M721-P770 HydrophobicContact CB-CB 4.32Å; M721-P770 HydrophobicContact CG-CB 3.89Å; M721-P770 HydrophobicContact CG-CG 4.29Å; M721-P770 WeakPolarHBondContact O-CB 3.29Å; M721-P770 HydrophobicContact SD-CB 3.97Å; M721-P770 HydrophobicContact SD-CG 3.78Å; F722-P770 HydrophobicContact CE1-CB 4.4Å; F722-P770 HydrophobicContact CE1-CG 3.86Å; F722-P770 HydrophobicContact CE2-CG 4.44Å; F722-P770 HydrophobicContact CZ-CG 3.75Å; P770-K772 PolarHBondContact O-N 3.26Å; P770-K772 VanDerWaalsContact O-N 3.14Å; P770-C773 HydrophobicContact CB-CB 4.13Å; P770-C773 HydrophobicContact CG-CB 4.46Å; P770-C773 CarbonylContact O-C 3.6Å; P770-C773 PolarHBondContact O-N 3.1Å; P770-H784 WeakPolarHBondContact CD-O 3.23Å; P770-H784 HydrophobicContact CG-CB 3.78Å
771S80.3Confident77.9Confident110 Ų11066.1 Ų66.177%0.76937%0.369SS*.THydrogen-bonded Turntrans-61.8-28.2-176.158.50000113.8L769L769-S771 PolarHBondContact O-N 3.47Å
772K80.9Confident78.7Confident147 Ų14765.9 Ų65.964%0.63936%0.364SS*.THydrogen-bonded Turntrans-79.4-23173.7-65.6179.8-178.7176.50113.7W720 P770W720-K772 HydrophobicContact CZ3-CD 4.1Å; P770-K772 PolarHBondContact O-N 3.26Å; P770-K772 VanDerWaalsContact O-N 3.14Å
773C83.3Confident80.2Confident18 Ų1860 Ų6012%0.12233%0.332CS..  trans-13373.9-168.1-54.90000109.1P770 E775 G776 T777 C778P770-C773 HydrophobicContact CB-CB 4.13Å; P770-C773 HydrophobicContact CG-CB 4.46Å; P770-C773 CarbonylContact O-C 3.6Å; P770-C773 PolarHBondContact O-N 3.1Å; C773-E775 PolarHBondContact O-N 3.21Å; C773-E775 VanDerWaalsContact O-N 3.09Å; C773-G776 PolarHBondContact O-N 2.75Å; C773-T777 WeakPolarHBondContact CB-O 3.49Å; C773-C778 HydrophobicContact CB-CB 4.1Å; C773-C778 WeakPolarHBondContact CB-SG 3.47Å; C773-C778 WeakPolarHBondContact SG-CB 3.4Å; C773-C778 CovalentContact SG-SG 2.03Å; C773-C778 PolarHBondContact SG-SG 2.86Å
774S76.7Confident82Confident45 Ų4553.2 Ų53.232%0.31530%0.297SS..THydrogen-bonded Turntrans-69.8-3.7-169.429.10000115.2R634 L769R634-S774 PolarHBondContact NH1-OG 2.7Å; L769-S774 WeakPolarHBondContact CD1-O 3.03Å
775E77.7Confident83.8Confident62 Ų6244.3 Ų44.329%0.2926%0.259SS..THydrogen-bonded Turntrans-97.56170.1-70.8165.2-164.700112R634 C773 T777R634-E775 IonicContact CZ-OE1 2.67Å; R634-E775 IonicContact NE-OE1 2.87Å; R634-E775 PolarHBondContact NE-OE1 2.71Å; R634-E775 IonicContact NH2-OE1 2.87Å; R634-E775 PolarHBondContact NH2-OE1 2.86Å; C773-E775 PolarHBondContact O-N 3.21Å; C773-E775 VanDerWaalsContact O-N 3.09Å; E775-T777 PolarHBondContact O-N 2.89Å
776G82.4Confident85.3Confident0 Ų041.2 Ų41.20%024%0.242CC..SBendtrans82-21.2-175.200000113.9C773 F783 H784C773-G776 PolarHBondContact O-N 2.75Å; G776-F783 CarbonylContact O-C 3.55Å; G776-F783 WeakPolarHBondContact O-CA 3.5Å; G776-H784 PolarHBondContact O-N 2.88Å
777T88.4Confident86.2Confident17 Ų1736.1 Ų36.110%0.10422%0.215CC..BIsolated β-bridgetrans-119.2148.9177.7-179.70000111.9C773 E775 D779 G780 C781 T782 F783C773-T777 WeakPolarHBondContact CB-O 3.49Å; E775-T777 PolarHBondContact O-N 2.89Å; T777-D779 PolarHBondContact OG1-N 2.79Å; T777-D779 PolarHBondContact OG1-OD1 3.23Å; T777-G780 WeakPolarHBondContact OG1-CA 3.24Å; T777-G780 PolarHBondContact OG1-N 2.79Å; T777-C781 PolarHBondContact OG1-N 3.09Å; T777-T782 VanDerWaalsContact CA-O 3.27Å; T777-T782 WeakPolarHBondContact CA-O 3.47Å; T777-T782 WeakPolarHBondContact CB-O 3.02Å; T777-T782 PolarHBondContact OG1-O 2.91Å; T777-F783 HydrophobicContact CG2-CD1 4.2Å; T777-F783 HydrophobicContact CG2-CE1 3.69Å; T777-F783 HydrophobicContact CG2-CE2 4.11Å; T777-F783 HydrophobicContact CG2-CZ 3.64Å
778C84Confident86.3Confident74 Ų7437.4 Ų37.450%0.522%0.221SC..SBendtrans-107.4-18.3176.3-49.50000113C773C773-C778 HydrophobicContact CB-CB 4.1Å; C773-C778 WeakPolarHBondContact CB-SG 3.47Å; C773-C778 WeakPolarHBondContact SG-CB 3.4Å; C773-C778 CovalentContact SG-SG 2.03Å; C773-C778 PolarHBondContact SG-SG 2.86Å
779D84.2Confident86.2Confident93 Ų9335.7 Ų35.750%0.49721%0.211SC..SBendtrans-121.1-7.8-173.164-11.6000112.8T777 C781 T782T777-D779 PolarHBondContact OG1-N 2.79Å; T777-D779 PolarHBondContact OG1-OD1 3.23Å; D779-C781 VanDerWaalsContact C-N 3.34Å; D779-C781 PolarHBondContact OD1-N 3.43Å; D779-T782 PolarHBondContact OD1-N 2.03Å; D779-T782 WeakPolarHBondContact OD2-CB 3.35Å; D779-T782 PolarHBondContact OD2-N 3.31Å; D779-T782 PolarHBondContact OD2-OG1 3.04Å
780G83.6Confident86.2Confident40 Ų4035.6 Ų35.641%0.41221%0.209SC..SBendtrans86.1-3.4-175.200000114.7C745 T777C745-G780 PolarHBondContact SG-O 3.29Å; T777-G780 WeakPolarHBondContact OG1-CA 3.24Å; T777-G780 PolarHBondContact OG1-N 2.79Å
781C88.4Confident86.2Confident19 Ų1937.8 Ų37.813%0.12822%0.219CC..SBendtrans-129.5-33.4-169.9-60.90000114C745 R749 S750 T777 D779C745-C781 WeakPolarHBondContact CA-SG 3.41Å; C745-C781 HydrophobicContact CB-CB 3.83Å; C745-C781 WeakPolarHBondContact CB-SG 3.31Å; C745-C781 WeakPolarHBondContact SG-CA 3.06Å; C745-C781 WeakPolarHBondContact SG-CB 3.43Å; C745-C781 CovalentContact SG-SG 2.04Å; C745-C781 PolarHBondContact SG-SG 3.12Å; R749-C781 CarbonylContact C-O 3.49Å; R749-C781 WeakPolarHBondContact CA-O 3.17Å; S750-C781 PolarHBondContact N-O 2.92Å; T777-C781 PolarHBondContact OG1-N 3.09Å; D779-C781 VanDerWaalsContact C-N 3.34Å; D779-C781 PolarHBondContact OD1-N 3.43Å
782T90.6Very high86.5Confident24 Ų2432.6 Ų32.615%0.14718%0.184CC..EExtended strand (participates in β ladder)trans-107.3117.6-179.7-44.80000108.8I715 T777 D779 H784I715-T782 HydrophobicContact CG2-CG2 4.05Å; T777-T782 VanDerWaalsContact CA-O 3.27Å; T777-T782 WeakPolarHBondContact CA-O 3.47Å; T777-T782 WeakPolarHBondContact CB-O 3.02Å; T777-T782 PolarHBondContact OG1-O 2.91Å; D779-T782 PolarHBondContact OD1-N 2.03Å; D779-T782 WeakPolarHBondContact OD2-CB 3.35Å; D779-T782 PolarHBondContact OD2-N 3.31Å; D779-T782 PolarHBondContact OD2-OG1 3.04Å; T782-H784 VanDerWaalsContact CG2-CE1 3.44Å; T782-H784 WeakPolarHBondContact CG2-CE1 3.36Å; T782-H784 WeakPolarHBondContact CG2-NE2 3.38Å
783F93.2Very high86.8Confident6 Ų625.8 Ų25.83%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-106.4138.4-178.8-71.8-106.2000110.6F646 F697 I699 S750 A751 A752 G776 T777 F785F646-F783 HydrophobicContact CE1-CD1 4.19Å; F646-F783 HydrophobicContact CE1-CE1 4.17Å; F697-F783 HydrophobicContact CE2-CZ 4.33Å; F697-F783 HydrophobicContact CZ-CZ 4.46Å; I699-F783 HydrophobicContact CD1-CD1 3.77Å; I699-F783 HydrophobicContact CD1-CD2 4.32Å; I699-F783 HydrophobicContact CD1-CE1 3.8Å; I699-F783 HydrophobicContact CD1-CE2 4.36Å; I699-F783 HydrophobicContact CD1-CG 4.04Å; I699-F783 HydrophobicContact CD1-CZ 4.1Å; I699-F783 HydrophobicContact CG1-CD2 4.3Å; I699-F783 HydrophobicContact CG1-CE1 4.5Å; I699-F783 HydrophobicContact CG1-CE2 4.22Å; I699-F783 HydrophobicContact CG1-CG 4.48Å; I699-F783 HydrophobicContact CG1-CZ 4.32Å; I699-F783 HydrophobicContact CG2-CB 3.88Å; I699-F783 HydrophobicContact CG2-CD2 3.5Å; I699-F783 HydrophobicContact CG2-CE2 4.18Å; I699-F783 HydrophobicContact CG2-CG 3.72Å; S750-F783 PolarHBondContact O-N 3.15Å; A751-F783 CarbonylContact C-O 3.57Å; A751-F783 VanDerWaalsContact CA-O 3.31Å; A751-F783 WeakPolarHBondContact CA-O 3.31Å; A751-F783 HydrophobicContact CB-CB 4.46Å; A752-F783 PolarHBondContact N-O 2.76Å; G776-F783 CarbonylContact O-C 3.55Å; G776-F783 WeakPolarHBondContact O-CA 3.5Å; T777-F783 HydrophobicContact CG2-CD1 4.2Å; T777-F783 HydrophobicContact CG2-CE1 3.69Å; T777-F783 HydrophobicContact CG2-CE2 4.11Å; T777-F783 HydrophobicContact CG2-CZ 3.64Å; F783-F785 HydrophobicContact CB-CE2 3.73Å; F783-F785 HydrophobicContact CB-CZ 3.96Å; F783-F785 HydrophobicContact CD1-CZ 4.37Å
784H92.9Very high87.1Confident7 Ų725.1 Ų25.13%0.03215%0.15CC..EExtended strand (participates in β ladder)trans-125.7131.8-176.9-55.1-80.7000110.2S716 S717 M721 F722 P770 G776 T782S716-H784 PolarHBondContact O-CE1 2.81Å; S717-H784 PolarHBondContact OG-ND1 2.75Å; M721-H784 HydrophobicContact SD-CB 4.24Å; F722-H784 HydrophobicContact CE2-CB 4.15Å; F722-H784 HydrophobicContact CZ-CB 3.82Å; P770-H784 WeakPolarHBondContact CD-O 3.23Å; P770-H784 HydrophobicContact CG-CB 3.78Å; G776-H784 PolarHBondContact O-N 2.88Å; T782-H784 VanDerWaalsContact CG2-CE1 3.44Å; T782-H784 WeakPolarHBondContact CG2-CE1 3.36Å; T782-H784 WeakPolarHBondContact CG2-NE2 3.38Å
785F92.4Very high87.7Confident0 Ų025.6 Ų25.60%015%0.149CC..EExtended strand (participates in β ladder)trans-130.7135.3179.1-52.8-85.2000108.8F629 F646 L648 V676 A751 A752 V753 R754 I767 L769 F783F629-F785 AromaticContact CE1-CD1 3.92Å; F629-F785 HydrophobicContact CE1-CD1 3.92Å; F629-F785 HydrophobicContact CE1-CE1 4.07Å; F629-F785 AromaticContact CZ-CD1 3.74Å; F629-F785 HydrophobicContact CZ-CD1 3.74Å; F629-F785 AromaticContact CZ-CE1 3.87Å; F629-F785 HydrophobicContact CZ-CE1 3.87Å; F646-F785 AromaticContact CD1-CE1 3.99Å; F646-F785 HydrophobicContact CD1-CE1 3.99Å; F646-F785 HydrophobicContact CD1-CZ 4.05Å; F646-F785 HydrophobicContact CE1-CE1 4.28Å; F646-F785 HydrophobicContact CE1-CZ 4.29Å; F646-F785 HydrophobicContact CG-CE1 4.17Å; L648-F785 HydrophobicContact CD2-CD2 4.11Å; L648-F785 HydrophobicContact CD2-CE2 4.39Å; L648-F785 HydrophobicContact CD2-CG 4.18Å; V676-F785 HydrophobicContact CG1-CE2 3.97Å; V676-F785 HydrophobicContact CG1-CZ 4.04Å; A751-F785 HydrophobicContact CB-CE2 4.02Å; A752-F785 PolarHBondContact O-N 2.81Å; V753-F785 HydrophobicContact CG2-CB 4.41Å; V753-F785 HydrophobicContact CG2-CD2 3.94Å; R754-F785 WeakPolarHBondContact CB-O 3.31Å; R754-F785 PolarHBondContact N-O 3.09Å; I767-F785 HydrophobicContact CG2-CB 4.13Å; I767-F785 HydrophobicContact CG2-CD1 4.35Å; L769-F785 HydrophobicContact CD2-CD1 3.69Å; L769-F785 HydrophobicContact CD2-CE1 3.85Å; F783-F785 HydrophobicContact CB-CE2 3.73Å; F783-F785 HydrophobicContact CB-CZ 3.96Å; F783-F785 HydrophobicContact CD1-CZ 4.37Å
786L91Very high88.2Confident1 Ų123.1 Ų23.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-111.1120.7168.5166.667.1000109F722 R754 R756 I767 T768 E788F722-L786 HydrophobicContact CB-CD2 3.89Å; F722-L786 HydrophobicContact CD1-CB 3.32Å; F722-L786 HydrophobicContact CD1-CD2 3.82Å; F722-L786 HydrophobicContact CD1-CG 4.2Å; F722-L786 HydrophobicContact CD2-CB 4.49Å; F722-L786 HydrophobicContact CE1-CB 3.31Å; F722-L786 HydrophobicContact CE2-CB 4.48Å; F722-L786 HydrophobicContact CG-CB 3.93Å; F722-L786 HydrophobicContact CG-CD2 4.04Å; F722-L786 HydrophobicContact CZ-CB 3.92Å; R754-L786 HydrophobicContact CB-CD1 4.47Å; R754-L786 HydrophobicContact CG-CD1 3.97Å; R754-L786 CarbonylContact O-C 3.53Å; R754-L786 WeakPolarHBondContact O-CA 3.07Å; R756-L786 HydrophobicContact CB-CD1 3.67Å; I767-L786 CarbonylContact C-O 3.59Å; I767-L786 WeakPolarHBondContact CA-O 3.47Å; T768-L786 PolarHBondContact N-O 3.08Å; T768-L786 PolarHBondContact O-N 2.81Å; T768-L786 WeakPolarHBondContact OG1-CB 3.31Å; T768-L786 PolarHBondContact OG1-O 2.97Å; T768-L786 VanDerWaalsContact OG1-O 3.14Å; L786-E788 HydrophobicContact CD1-CG 4.21Å; L786-E788 HydrophobicContact CD2-CG 4.17Å; L786-E788 HydrophobicContact CG-CG 4.02Å
787W90.1Very high88.3Confident1 Ų125.4 Ų25.40%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-110.6103.4179.2-174.4-27.1000107.9L623 T627 L650 V753 R754 L755 R756 D765 I767L623-W787 HydrophobicContact CB-CH2 4.08Å; L623-W787 HydrophobicContact CB-CZ2 3.76Å; L623-W787 HydrophobicContact CD1-CZ2 4.3Å; L623-W787 HydrophobicContact CD2-CZ2 3.82Å; L623-W787 HydrophobicContact CG-CZ2 4.15Å; T627-W787 HydrophobicContact CG2-CH2 3.87Å; T627-W787 HydrophobicContact CG2-CZ2 4.02Å; T627-W787 VanDerWaalsContact OG1-CH2 3.25Å; T627-W787 WeakPolarHBondContact OG1-CH2 3.15Å; L650-W787 HydrophobicContact CB-CZ3 4.28Å; V753-W787 HydrophobicContact CG1-CE3 4.14Å; R754-W787 PolarHBondContact O-N 2.8Å; L755-W787 WeakPolarHBondContact CA-O 3.14Å; L755-W787 HydrophobicContact CD2-CB 3.86Å; L755-W787 HydrophobicContact CD2-CD2 4.05Å; L755-W787 HydrophobicContact CD2-CE3 4.13Å; L755-W787 HydrophobicContact CD2-CG 3.97Å; R756-W787 PolarHBondContact N-O 2.81Å; D765-W787 HydrophobicContact CB-CZ2 4.12Å; D765-W787 VanDerWaalsContact CB-NE1 3.32Å; D765-W787 VanDerWaalsContact CG-NE1 3.27Å; D765-W787 PolarHBondContact OD1-NE1 3.32Å; I767-W787 HydrophobicContact CD1-CD2 4.07Å; I767-W787 HydrophobicContact CD1-CE3 3.85Å; I767-W787 HydrophobicContact CD1-CZ3 4.11Å; I767-W787 HydrophobicContact CG1-CB 4.27Å; I767-W787 HydrophobicContact CG1-CD2 3.95Å; I767-W787 HydrophobicContact CG1-CE3 4.19Å; I767-W787 HydrophobicContact CG1-CG 3.99Å
788E88.3Confident87.8Confident46 Ų4628 Ų2822%0.21517%0.168CC..EExtended strand (participates in β ladder)trans-89.5125.4173.8-55.8-158.4160.900109.8R756 N758 L766 L786R756-E788 HydrophobicContact CB-CG 4.24Å; R756-E788 VanDerWaalsContact CD-OE1 3.28Å; R756-E788 WeakPolarHBondContact CD-OE1 3.45Å; R756-E788 HydrophobicContact CG-CG 4.45Å; R756-E788 IonicContact NH1-OE1 3Å; R756-E788 PolarHBondContact NH1-OE1 2.84Å; N758-E788 HydrophobicContact CB-CB 4.47Å; L766-E788 PolarHBondContact O-N 2.03Å; L786-E788 HydrophobicContact CD1-CG 4.21Å; L786-E788 HydrophobicContact CD2-CG 4.17Å; L786-E788 HydrophobicContact CG-CG 4.02Å
789S87.3Confident87.6Confident7 Ų729 Ų295%0.04917%0.168CC..EExtended strand (participates in β ladder)trans-157154.2-177.4-1660000112.4R756 N758 D765 H791 A792R756-S789 PolarHBondContact O-N 2.83Å; R756-S789 VanDerWaalsContact O-N 3.15Å; N758-S789 PolarHBondContact N-O 3.45Å; N758-S789 VanDerWaalsContact N-O 3.07Å; N758-S789 CarbonylContact O-C 3.48Å; D765-S789 VanDerWaalsContact OD1-CB 3.26Å; D765-S789 WeakPolarHBondContact OD1-CB 3.31Å; D765-S789 PolarHBondContact OD1-OG 2.94Å; S789-H791 PolarHBondContact O-N 3.04Å; S789-A792 WeakPolarHBondContact O-CB 3.45Å; S789-A792 PolarHBondContact O-N 3.25Å
790Q86.6Confident87.4Confident29 Ų2927.1 Ų27.114%0.13616%0.156CC..G310 helixtrans-62.8-32.6170.966.9-176.61.300111.6N758 A761 A792 C793 Y826N758-Q790 VanDerWaalsContact O-CA 3.31Å; N758-Q790 WeakPolarHBondContact O-CA 3.04Å; N758-Q790 PolarHBondContact O-N 2.82Å; A761-Q790 PolarHBondContact O-OE1 2.88Å; Q790-A792 PolarHBondContact O-N 2.89Å; Q790-C793 WeakPolarHBondContact O-CB 3.49Å; Q790-C793 PolarHBondContact O-N 3.45Å; Q790-Y826 HydrophobicContact CB-CD1 4.36Å; Q790-Y826 HydrophobicContact CB-CD2 3.81Å; Q790-Y826 HydrophobicContact CB-CE1 4.41Å; Q790-Y826 HydrophobicContact CB-CE2 3.83Å; Q790-Y826 HydrophobicContact CB-CG 4.08Å; Q790-Y826 HydrophobicContact CG-CD1 4.35Å; Q790-Y826 HydrophobicContact CG-CD2 4.42Å; Q790-Y826 HydrophobicContact CG-CE1 4.02Å; Q790-Y826 HydrophobicContact CG-CE2 4.06Å; Q790-Y826 PolarHBondContact NE2-OH 2.94Å; Q790-Y826 VanDerWaalsContact O-CB 3.27Å; Q790-Y826 WeakPolarHBondContact O-CB 3.36Å; Q790-Y826 PolarHBondContact OE1-OH 3.06Å
791H87Confident87.4Confident47 Ų4727 Ų2722%0.21814%0.144CC..G310 helixtrans-80.2-2178.7-57.1-63.4000113.6F620 P622 L623 S789 C793 Y826F620-H791 WeakPolarHBondContact CD1-O 3.22Å; P622-H791 HydrophobicContact CB-CB 4.27Å; P622-H791 HydrophobicContact CG-CB 4.36Å; L623-H791 HydrophobicContact CD1-CB 4.13Å; L623-H791 HydrophobicContact CD2-CB 4Å; L623-H791 HydrophobicContact CG-CB 3.91Å; S789-H791 PolarHBondContact O-N 3.04Å; H791-C793 VanDerWaalsContact C-N 3.31Å; H791-Y826 AromaticContact CE1-CE1 3.72Å; H791-Y826 AromaticContact ND1-CE1 3.89Å
792A87.8Confident87.3Confident2 Ų233.2 Ų33.22%0.01716%0.164CC..G310 helixtrans-89.74.8169.800000112.9Y618 L755 R756 C757 S789 Q790Y618-A792 WeakPolarHBondContact CE1-O 3.06Å; L755-A792 HydrophobicContact CB-CB 3.91Å; R756-A792 VanDerWaalsContact C-CB 3.41Å; R756-A792 WeakPolarHBondContact O-CB 3.35Å; C757-A792 PolarHBondContact N-O 2.81Å; S789-A792 WeakPolarHBondContact O-CB 3.45Å; S789-A792 PolarHBondContact O-N 3.25Å; Q790-A792 PolarHBondContact O-N 2.89Å
793C87.9Confident87.2Confident3 Ų337.4 Ų37.42%0.0218%0.182CC..SBendtrans-87.6154.1172.5-62.60000112.3C757 Q790 H791C757-C793 WeakPolarHBondContact CA-SG 3.38Å; C757-C793 HydrophobicContact CB-CB 3.85Å; C757-C793 WeakPolarHBondContact CB-SG 3.18Å; C757-C793 VanDerWaalsContact SG-CA 3.51Å; C757-C793 WeakPolarHBondContact SG-CB 3.49Å; C757-C793 CovalentContact SG-SG 2.04Å; C757-C793 PolarHBondContact SG-SG 3.42Å; Q790-C793 WeakPolarHBondContact O-CB 3.49Å; Q790-C793 PolarHBondContact O-N 3.45Å; H791-C793 VanDerWaalsContact C-N 3.31Å
794P89.5Confident86.8Confident4 Ų440.7 Ų40.73%0.02620%0.199CC..BIsolated β-bridgetrans-66.9155.6168.730.3-35.2000111Q616 T617 Y618 L729 Q824 C825 Y826Q616-P794 HydrophobicContact CB-CB 4.4Å; T617-P794 CarbonylContact O-C 3.24Å; T617-P794 WeakPolarHBondContact O-CA 3.41Å; Y618-P794 HydrophobicContact CD1-CB 4.34Å; Y618-P794 HydrophobicContact CD2-CB 4.24Å; Y618-P794 HydrophobicContact CE1-CB 4.18Å; Y618-P794 HydrophobicContact CE1-CG 4.41Å; Y618-P794 HydrophobicContact CE2-CB 4.05Å; Y618-P794 HydrophobicContact CG-CB 4.38Å; L729-P794 HydrophobicContact CD1-CG 4.41Å; L729-P794 HydrophobicContact CD2-CG 4.41Å; P794-Q824 WeakPolarHBondContact CD-O 3.08Å; P794-Q824 VanDerWaalsContact CG-O 3.28Å; P794-Q824 WeakPolarHBondContact CG-O 3.48Å; P794-C825 CarbonylContact O-C 3.53Å; P794-C825 WeakPolarHBondContact O-CA 3.33Å; P794-C825 VanDerWaalsContact O-CB 3.23Å; P794-C825 WeakPolarHBondContact O-CB 3.23Å; P794-Y826 PolarHBondContact O-N 3.39Å
795L88.6Confident86.4Confident56 Ų5643.7 Ų43.729%0.29322%0.218SC..PPolyproline II helixtrans-66.2143.3176.1-62.1174.7000111T617 D619T617-L795 HydrophobicContact CG2-CD1 4.06Å; T617-L795 PolarHBondContact O-N 3.26Å; D619-L795 HydrophobicContact CB-CD1 4.45Å; D619-L795 HydrophobicContact CB-CD2 4.19Å
796C87.1Confident85.9Confident10 Ų1045.6 Ų45.67%0.06823%0.232CC..BIsolated β-bridgetrans-73131.1178.4-630000112.5W819 C825 G827 Q829C796-W819 HydrophobicContact CB-CH2 3.47Å; C796-W819 VanDerWaalsContact CB-CH2 3.47Å; C796-W819 HydrophobicContact CB-CZ2 4.33Å; C796-W819 HydrophobicContact CB-CZ3 3.7Å; C796-C825 WeakPolarHBondContact CA-SG 3.45Å; C796-C825 HydrophobicContact CB-CB 3.92Å; C796-C825 WeakPolarHBondContact CB-SG 2.98Å; C796-C825 WeakPolarHBondContact SG-CB 3.18Å; C796-C825 CovalentContact SG-SG 2.04Å; C796-C825 PolarHBondContact SG-SG 3Å; C796-G827 WeakPolarHBondContact CB-O 2.97Å; C796-G827 PolarHBondContact N-O 2.9Å; C796-G827 PolarHBondContact SG-O 2.63Å; C796-Q829 WeakPolarHBondContact O-CB 3.4Å; C796-Q829 PolarHBondContact O-N 2.88Å
797T84.4Confident85.3Confident48 Ų4848.9 Ų48.929%0.29426%0.259SS..  trans-106.8179.7173.370.50000111.1D799 H800T797-D799 PolarHBondContact O-N 3.2Å; T797-D799 PolarHBondContact OG1-N 3.05Å; T797-D799 PolarHBondContact OG1-OD2 2.84Å; T797-H800 PolarHBondContact N-ND1 3.08Å; T797-H800 PolarHBondContact O-N 2.97Å
798T79.9Confident84.7Confident70 Ų7050.6 Ų50.643%0.42927%0.271SS..G310 helixtrans-54.7-29.8171.744.10000113.9H800T798-H800 VanDerWaalsContact C-N 3.31Å; T798-H800 PolarHBondContact O-N 2.04Å
799D78.1Confident84Confident95 Ų9553.7 Ų53.751%0.50829%0.287SS..G310 helixtrans-82.5-16-168.1-37.7-53.6000111.7T797 Q820T797-D799 PolarHBondContact O-N 3.2Å; T797-D799 PolarHBondContact OG1-N 3.05Å; T797-D799 PolarHBondContact OG1-OD2 2.84Å; D799-Q820 PolarHBondContact O-NE2 2.91Å
800H80Confident83.3Confident55 Ų5562.4 Ų62.426%0.25533%0.327SS..G310 helixtrans-87.4-11.3179.8-58.7158.2000113.6T797 T798 W819 Q820 C825T797-H800 PolarHBondContact N-ND1 3.08Å; T797-H800 PolarHBondContact O-N 2.97Å; T798-H800 VanDerWaalsContact C-N 3.31Å; T798-H800 PolarHBondContact O-N 2.04Å; H800-W819 HydrophobicContact CB-CE3 4.19Å; H800-W819 HydrophobicContact CB-CZ3 4.06Å; H800-Q820 WeakPolarHBondContact O-CB 3.24Å; H800-Q820 WeakPolarHBondContact O-CG 3.35Å; H800-Q820 PolarHBondContact O-N 2.87Å; H800-C825 WeakPolarHBondContact ND1-CB 3.32Å; H800-C825 PolarHBondContact ND1-SG 2.91Å
801Y85.4Confident82.7Confident38 Ų3862.2 Ų62.215%0.14933%0.333CS..EExtended strand (participates in β ladder)trans-110.1166.8170.767.3-108.1000111.6Y817 V818 W819 Q820 L831 P832Y801-Y817 AromaticContact CD2-CD1 3.72Å; Y801-Y817 HydrophobicContact CD2-CD1 3.72Å; Y801-Y817 HydrophobicContact CD2-CG 4.47Å; Y801-Y817 AromaticContact CE2-CD1 3.59Å; Y801-Y817 HydrophobicContact CE2-CD1 3.59Å; Y801-Y817 HydrophobicContact CE2-CE1 4.05Å; Y801-Y817 HydrophobicContact CE2-CG 4.44Å; Y801-V818 CarbonylContact C-O 3.58Å; Y801-V818 VanDerWaalsContact CA-O 3.3Å; Y801-V818 WeakPolarHBondContact CA-O 3.38Å; Y801-V818 WeakPolarHBondContact CB-O 3.28Å; Y801-W819 HydrophobicContact CD1-CH2 4.31Å; Y801-W819 AromaticContact CD1-CZ3 3.94Å; Y801-W819 HydrophobicContact CD1-CZ3 3.94Å; Y801-W819 HydrophobicContact CG-CZ3 4.44Å; Y801-Q820 PolarHBondContact O-NE2 3.31Å; Y801-L831 HydrophobicContact CD1-CD2 4.42Å; Y801-L831 HydrophobicContact CG-CD2 4.19Å; Y801-P832 HydrophobicContact CE1-CG 4.21Å; Y801-P832 HydrophobicContact CE2-CG 4.19Å
802R85.6Confident82.3Confident148 Ų14863.7 Ų63.756%0.55834%0.342SS*.EExtended strand (participates in β ladder)trans-136.8152.1171.264.2178.2179.3-178.1-1.4110.4V818 Q820R802-V818 HydrophobicContact CG-CG2 3.87Å; R802-V818 PolarHBondContact N-O 2.82Å; R802-V818 PolarHBondContact O-N 3.15Å; R802-Q820 HydrophobicContact CB-CG 4.37Å; R802-Q820 HydrophobicContact CG-CG 4.33Å
803E87.4Confident82.1Confident112 Ų11266.3 Ų66.352%0.52335%0.354SS..EExtended strand (participates in β ladder)trans-84.6142.517054.5-178.3-144.700112.6T815 T816 Y817E803-T815 HydrophobicContact CB-CG2 3.68Å; E803-T815 HydrophobicContact CG-CG2 4.43Å; E803-T816 WeakPolarHBondContact CA-O 3.35Å; E803-Y817 HydrophobicContact CB-CD1 3.9Å; E803-Y817 HydrophobicContact CB-CE1 3.57Å; E803-Y817 HydrophobicContact CG-CE1 4.44Å; E803-Y817 PolarHBondContact OE2-OH 2.89Å
804I85Confident81.9Confident75 Ų7572.7 Ų72.739%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-120.3113.7170.6-64.4-178000106.6T815 T816 V818I804-T815 WeakPolarHBondContact O-CA 3.16Å; I804-T816 PolarHBondContact N-O 2.84Å; I804-T816 PolarHBondContact O-N 3.35Å; I804-T816 PolarHBondContact O-OG1 3.28Å; I804-V818 HydrophobicContact CD1-CG1 4.18Å; I804-V818 HydrophobicContact CD1-CG2 3.57Å; I804-V818 HydrophobicContact CG1-CG2 4.08Å
805V85.3Confident81.7Confident70 Ų7073.3 Ų73.342%0.42438%0.381SS..EExtended strand (participates in β ladder)trans-92.8124.4-180-173.10000109Q813 T815V805-Q813 HydrophobicContact CG1-CG 3.65Å; V805-T815 HydrophobicContact CG2-CG2 4.14Å
806S81.4Confident81.6Confident41 Ų4173 Ų7329%0.28738%0.382SS..PPolyproline II helixtrans-69.6160.5178.183.30000112.3Q813 R814S806-Q813 PolarHBondContact O-NE2 2.93Å; S806-Q813 VanDerWaalsContact O-NE2 3.09Å; S806-R814 WeakPolarHBondContact CB-O 3.33Å; S806-R814 PolarHBondContact N-O 2.84Å; S806-R814 PolarHBondContact OG-N 3.15Å; S806-R814 PolarHBondContact OG-O 2.94Å
807A78.9Confident81.6Confident70 Ų7073.7 Ų73.758%0.57938%0.383SS*.PPolyproline II helixtrans-54.8148.5159.900000110.8I809A807-I809 HydrophobicContact CB-CG1 4.33Å; A807-I809 PolarHBondContact O-N 2.69Å
808C76.8Confident81.6Confident37 Ų3773.6 Ų73.625%0.2538%0.383CS..  trans-75.6107.5173.9-179.50000109.9C839C808-C839 WeakPolarHBondContact CA-SG 3.31Å; C808-C839 HydrophobicContact CB-CB 3.85Å; C808-C839 WeakPolarHBondContact CB-SG 3.28Å; C808-C839 VanDerWaalsContact SG-C 3.56Å; C808-C839 WeakPolarHBondContact SG-CB 3.47Å; C808-C839 CovalentContact SG-SG 2.03Å; C808-C839 PolarHBondContact SG-SG 2.99Å
809I74.9Confident81.9Confident111 Ų11173.6 Ų73.657%0.56938%0.375SS*.BIsolated β-bridgetrans-120.3125.8-176.2-61.2174.9000108.3A807 G811 I812A807-I809 HydrophobicContact CB-CG1 4.33Å; A807-I809 PolarHBondContact O-N 2.69Å; I809-G811 PolarHBondContact O-N 2.87Å; I809-G811 VanDerWaalsContact O-N 3.12Å; I809-I812 PolarHBondContact N-O 3.24Å; I809-I812 PolarHBondContact O-N 3.01Å; I809-I812 VanDerWaalsContact O-O 3.11Å
810Q72.1Confident82Confident189 Ų18973.3 Ų73.388%0.88337%0.37SS*.THydrogen-bonded Turntrans53.330-178.4-63.9176.3-23.100114.2I812Q810-I812 VanDerWaalsContact C-N 3.31Å
811G73.1Confident82Confident26 Ų2679.5 Ų79.527%0.26840%0.399SS..THydrogen-bonded Turntrans81.15.9-177.800000114.8I809 T838 C839I809-G811 PolarHBondContact O-N 2.87Å; I809-G811 VanDerWaalsContact O-N 3.12Å; G811-T838 WeakPolarHBondContact O-CA 3.5Å; G811-C839 VanDerWaalsContact CA-O 3.31Å; G811-C839 WeakPolarHBondContact CA-O 3.32Å; G811-C839 PolarHBondContact O-N 3.48Å
812I79.3Confident81.5Confident78 Ų7882 Ų8240%0.442%0.42SS..EExtended strand (participates in β ladder)trans-114.7134.1179.2-57.8176.9000109.8I809 Q810 R814 V836I809-I812 PolarHBondContact N-O 3.24Å; I809-I812 PolarHBondContact O-N 3.01Å; I809-I812 VanDerWaalsContact O-O 3.11Å; Q810-I812 VanDerWaalsContact C-N 3.31Å; I812-R814 HydrophobicContact CG2-CG 4.42Å; I812-V836 HydrophobicContact CG2-CG1 3.52Å
813Q82.6Confident81.2Confident56 Ų5677.6 Ų77.626%0.26241%0.408SS..EExtended strand (participates in β ladder)trans-119.9138.9171.5171.3166.269.500108.9V805 S806 V836 S837 C839V805-Q813 HydrophobicContact CG1-CG 3.65Å; S806-Q813 PolarHBondContact O-NE2 2.93Å; S806-Q813 VanDerWaalsContact O-NE2 3.09Å; Q813-V836 WeakPolarHBondContact O-CA 3.47Å; Q813-S837 WeakPolarHBondContact CB-OG 3.25Å; Q813-S837 PolarHBondContact N-O 3.11Å; Q813-S837 PolarHBondContact O-N 3.16Å; Q813-C839 HydrophobicContact CB-CB 3.97Å
814R84.8Confident80.8Confident138 Ų13875.1 Ų75.152%0.52140%0.396SS..EExtended strand (participates in β ladder)trans-119.2124.4-176.6-63.7178.3175.4-162.5-1.2108.9S806 I812 Q834 K835S806-R814 WeakPolarHBondContact CB-O 3.33Å; S806-R814 PolarHBondContact N-O 2.84Å; S806-R814 PolarHBondContact OG-N 3.15Å; S806-R814 PolarHBondContact OG-O 2.94Å; I812-R814 HydrophobicContact CG2-CG 4.42Å; R814-Q834 HydrophobicContact CB-CG 4.45Å; R814-K835 WeakPolarHBondContact CA-O 3.36Å
815T85.3Confident80.8Confident16 Ų1671.5 Ų71.510%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-104110.4172.9-560000108.4E803 I804 V805 Y817 Q834 K835E803-T815 HydrophobicContact CB-CG2 3.68Å; E803-T815 HydrophobicContact CG-CG2 4.43Å; I804-T815 WeakPolarHBondContact O-CA 3.16Å; V805-T815 HydrophobicContact CG2-CG2 4.14Å; T815-Y817 HydrophobicContact CG2-CE2 4.38Å; T815-Q834 WeakPolarHBondContact O-CA 3.06Å; T815-Q834 WeakPolarHBondContact O-CG 3.4Å; T815-K835 PolarHBondContact N-O 2.9Å; T815-K835 PolarHBondContact O-N 3.49Å
816T86.4Confident80.8Confident51 Ų5172 Ų7231%0.31337%0.372SS..EExtended strand (participates in β ladder)trans-97.1149.2172.848.70000110E803 I804 Q834E803-T816 WeakPolarHBondContact CA-O 3.35Å; I804-T816 PolarHBondContact N-O 2.84Å; I804-T816 PolarHBondContact O-N 3.35Å; I804-T816 PolarHBondContact O-OG1 3.28Å; T816-Q834 HydrophobicContact CG2-CB 4.45Å; T816-Q834 HydrophobicContact CG2-CG 3.77Å
817Y86.3Confident80.8Confident23 Ų2372 Ų729%0.0938%0.379CS..EExtended strand (participates in β ladder)trans-107.1134.7175.7-65.7-82000109Y801 E803 T815 P832 K835Y801-Y817 AromaticContact CD2-CD1 3.72Å; Y801-Y817 HydrophobicContact CD2-CD1 3.72Å; Y801-Y817 HydrophobicContact CD2-CG 4.47Å; Y801-Y817 AromaticContact CE2-CD1 3.59Å; Y801-Y817 HydrophobicContact CE2-CD1 3.59Å; Y801-Y817 HydrophobicContact CE2-CE1 4.05Å; Y801-Y817 HydrophobicContact CE2-CG 4.44Å; E803-Y817 HydrophobicContact CB-CD1 3.9Å; E803-Y817 HydrophobicContact CB-CE1 3.57Å; E803-Y817 HydrophobicContact CG-CE1 4.44Å; E803-Y817 PolarHBondContact OE2-OH 2.89Å; T815-Y817 HydrophobicContact CG2-CE2 4.38Å; Y817-P832 HydrophobicContact CD1-CG 4.41Å; Y817-P832 HydrophobicContact CD2-CB 3.72Å; Y817-P832 HydrophobicContact CD2-CG 4.15Å; Y817-P832 WeakPolarHBondContact CD2-O 3.22Å; Y817-P832 HydrophobicContact CE2-CB 3.97Å; Y817-P832 HydrophobicContact CG-CB 4.21Å; Y817-P832 HydrophobicContact CG-CG 4.13Å; Y817-K835 HydrophobicContact CE2-CD 4.29Å; Y817-K835 HydrophobicContact CE2-CG 4.37Å; Y817-K835 WeakPolarHBondContact OH-CE 3.17Å; Y817-K835 PolarHBondContact OH-NZ 2.72Å
818V86.1Confident81.1Confident47 Ų4771.4 Ų71.429%0.28538%0.379SS..EExtended strand (participates in β ladder)trans-133.9145.3177.5-57.50000110.9Y801 R802 I804Y801-V818 CarbonylContact C-O 3.58Å; Y801-V818 VanDerWaalsContact CA-O 3.3Å; Y801-V818 WeakPolarHBondContact CA-O 3.38Å; Y801-V818 WeakPolarHBondContact CB-O 3.28Å; R802-V818 HydrophobicContact CG-CG2 3.87Å; R802-V818 PolarHBondContact N-O 2.82Å; R802-V818 PolarHBondContact O-N 3.15Å; I804-V818 HydrophobicContact CD1-CG1 4.18Å; I804-V818 HydrophobicContact CD1-CG2 3.57Å; I804-V818 HydrophobicContact CG1-CG2 4.08Å
819W84.7Confident81.3Confident70 Ų7073.8 Ų73.827%0.26539%0.386SS..EExtended strand (participates in β ladder)trans-61144.3170.4-64.9121.8000111.3C796 H800 Y801 L823 Q829 L831C796-W819 HydrophobicContact CB-CH2 3.47Å; C796-W819 VanDerWaalsContact CB-CH2 3.47Å; C796-W819 HydrophobicContact CB-CZ2 4.33Å; C796-W819 HydrophobicContact CB-CZ3 3.7Å; H800-W819 HydrophobicContact CB-CE3 4.19Å; H800-W819 HydrophobicContact CB-CZ3 4.06Å; Y801-W819 HydrophobicContact CD1-CH2 4.31Å; Y801-W819 AromaticContact CD1-CZ3 3.94Å; Y801-W819 HydrophobicContact CD1-CZ3 3.94Å; Y801-W819 HydrophobicContact CG-CZ3 4.44Å; W819-L823 HydrophobicContact CB-CD1 4.16Å; W819-L823 HydrophobicContact CD2-CD1 4.22Å; W819-L823 HydrophobicContact CE3-CD1 4.44Å; W819-L823 HydrophobicContact CG-CD1 4.08Å; W819-Q829 VanDerWaalsContact CH2-O 3.32Å; W819-Q829 WeakPolarHBondContact CH2-O 3.46Å; W819-L831 HydrophobicContact CD2-CD2 3.79Å; W819-L831 HydrophobicContact CD2-CG 4.24Å; W819-L831 HydrophobicContact CE3-CD2 4.18Å; W819-L831 HydrophobicContact CG-CD1 4.48Å; W819-L831 HydrophobicContact CG-CD2 4.22Å; W819-L831 HydrophobicContact CH2-CD2 4.23Å; W819-L831 HydrophobicContact CZ2-CD2 3.91Å; W819-L831 HydrophobicContact CZ2-CG 3.8Å; W819-L831 HydrophobicContact CZ3-CD2 4.37Å
820Q81.6Confident81.7Confident88 Ų8873.1 Ų73.141%0.41139%0.392SS..  trans-73.6154.7168.3-60.1-178.334.100109.6D799 H800 Y801 R802D799-Q820 PolarHBondContact O-NE2 2.91Å; H800-Q820 WeakPolarHBondContact O-CB 3.24Å; H800-Q820 WeakPolarHBondContact O-CG 3.35Å; H800-Q820 PolarHBondContact O-N 2.87Å; Y801-Q820 PolarHBondContact O-NE2 3.31Å; R802-Q820 HydrophobicContact CB-CG 4.37Å; R802-Q820 HydrophobicContact CG-CG 4.33Å
821Q78.4Confident82.2Confident186 Ų18667.2 Ų67.287%0.86937%0.366SS*.SBendtrans-121.5138.2-179.1-73.9-171.4-22.200110.6
822P76.4Confident82.7Confident89 Ų8967.4 Ų67.458%0.57836%0.362SS*.SBendcis-66.2145.8-2.729.9-36000112.2L727 Q824L727-P822 HydrophobicContact CD2-CB 4.37Å; P822-Q824 WeakPolarHBondContact O-CG 3.27Å; P822-Q824 PolarHBondContact O-N 2.92Å
823L77.5Confident82.7Confident57 Ų5769 Ų6930%0.29838%0.377SS..  trans-68.8124.2174.917864.4000108.5P759 W819 C825P759-L823 HydrophobicContact CB-CD2 4.17Å; P759-L823 HydrophobicContact CB-CG 4.44Å; W819-L823 HydrophobicContact CB-CD1 4.16Å; W819-L823 HydrophobicContact CD2-CD1 4.22Å; W819-L823 HydrophobicContact CE3-CD1 4.44Å; W819-L823 HydrophobicContact CG-CD1 4.08Å; L823-C825 WeakPolarHBondContact CG-O 3.19Å
824Q79.7Confident82.7Confident59 Ų5970.6 Ų70.628%0.27639%0.385SS..  trans-114.39.7-177.1-51.7-156.93.200113.4L727 L729 P794 P822L727-Q824 HydrophobicContact CD2-CB 4.4Å; L727-Q824 HydrophobicContact CD2-CG 3.81Å; L729-Q824 HydrophobicContact CD1-CB 4.21Å; L729-Q824 WeakPolarHBondContact CD1-O 3.45Å; P794-Q824 WeakPolarHBondContact CD-O 3.08Å; P794-Q824 VanDerWaalsContact CG-O 3.28Å; P794-Q824 WeakPolarHBondContact CG-O 3.48Å; P822-Q824 WeakPolarHBondContact O-CG 3.27Å; P822-Q824 PolarHBondContact O-N 2.92Å
825C84.9Confident82.5Confident0 Ų069.8 Ų69.80%039%0.385CS..  trans-140.7160.4-174.567.90000111.8P794 C796 H800 L823P794-C825 CarbonylContact O-C 3.53Å; P794-C825 WeakPolarHBondContact O-CA 3.33Å; P794-C825 VanDerWaalsContact O-CB 3.23Å; P794-C825 WeakPolarHBondContact O-CB 3.23Å; C796-C825 WeakPolarHBondContact CA-SG 3.45Å; C796-C825 HydrophobicContact CB-CB 3.92Å; C796-C825 WeakPolarHBondContact CB-SG 2.98Å; C796-C825 WeakPolarHBondContact SG-CB 3.18Å; C796-C825 CovalentContact SG-SG 2.04Å; C796-C825 PolarHBondContact SG-SG 3Å; H800-C825 WeakPolarHBondContact ND1-CB 3.32Å; H800-C825 PolarHBondContact ND1-SG 2.91Å; L823-C825 WeakPolarHBondContact CG-O 3.19Å
826Y85.7Confident82.4Confident81 Ų8173.5 Ų73.532%0.31841%0.408SS..  trans-145.2140.5175.6-170.5-86.9000110.7Q790 H791 P794Q790-Y826 HydrophobicContact CB-CD1 4.36Å; Q790-Y826 HydrophobicContact CB-CD2 3.81Å; Q790-Y826 HydrophobicContact CB-CE1 4.41Å; Q790-Y826 HydrophobicContact CB-CE2 3.83Å; Q790-Y826 HydrophobicContact CB-CG 4.08Å; Q790-Y826 HydrophobicContact CG-CD1 4.35Å; Q790-Y826 HydrophobicContact CG-CD2 4.42Å; Q790-Y826 HydrophobicContact CG-CE1 4.02Å; Q790-Y826 HydrophobicContact CG-CE2 4.06Å; Q790-Y826 PolarHBondContact NE2-OH 2.94Å; Q790-Y826 VanDerWaalsContact O-CB 3.27Å; Q790-Y826 WeakPolarHBondContact O-CB 3.36Å; Q790-Y826 PolarHBondContact OE1-OH 3.06Å; H791-Y826 AromaticContact CE1-CE1 3.72Å; H791-Y826 AromaticContact ND1-CE1 3.89Å; P794-Y826 PolarHBondContact O-N 3.39Å
827G82.4Confident82.1Confident41 Ų4173.3 Ų73.342%0.42341%0.408SS..SBendtrans62.9-159.7-174.100000112.9C796C796-G827 WeakPolarHBondContact CB-O 2.97Å; C796-G827 PolarHBondContact N-O 2.9Å; C796-G827 PolarHBondContact SG-O 2.63Å
828G83.9Confident81.7Confident56 Ų5678.8 Ų78.858%0.57744%0.444SS*.BIsolated β-bridgetrans77.6-129.5-175.300000111.9
829Q81.5Confident81.1Confident87 Ų8777.6 Ų77.641%0.40744%0.438SS..SBendtrans-75132.8-178-164.2167.425.200111.6C796 W819C796-Q829 WeakPolarHBondContact O-CB 3.4Å; C796-Q829 PolarHBondContact O-N 2.88Å; W819-Q829 VanDerWaalsContact CH2-O 3.32Å; W819-Q829 WeakPolarHBondContact CH2-O 3.46Å
830S82.6Confident80.6Confident98 Ų9879.1 Ų79.169%0.68546%0.455SS*.PPolyproline II helixtrans-79.4156.6171.952.70000111.8P832S830-P832 WeakPolarHBondContact O-CD 3.29Å
831L83Confident79.8Confident64 Ų6477.5 Ų77.534%0.33545%0.451SS..PPolyproline II helixtrans-59.4127.5173.2-72.4174.9000109.9Y801 W819Y801-L831 HydrophobicContact CD1-CD2 4.42Å; Y801-L831 HydrophobicContact CG-CD2 4.19Å; W819-L831 HydrophobicContact CD2-CD2 3.79Å; W819-L831 HydrophobicContact CD2-CG 4.24Å; W819-L831 HydrophobicContact CE3-CD2 4.18Å; W819-L831 HydrophobicContact CG-CD1 4.48Å; W819-L831 HydrophobicContact CG-CD2 4.22Å; W819-L831 HydrophobicContact CH2-CD2 4.23Å; W819-L831 HydrophobicContact CZ2-CD2 3.91Å; W819-L831 HydrophobicContact CZ2-CG 3.8Å; W819-L831 HydrophobicContact CZ3-CD2 4.37Å
832P82.9Confident79Confident30 Ų3075.9 Ų75.920%0.19545%0.445CS..PPolyproline II helixtrans-61.2149.2179.7-22.531.7000112.5Y801 Y817 S830Y801-P832 HydrophobicContact CE1-CG 4.21Å; Y801-P832 HydrophobicContact CE2-CG 4.19Å; Y817-P832 HydrophobicContact CD1-CG 4.41Å; Y817-P832 HydrophobicContact CD2-CB 3.72Å; Y817-P832 HydrophobicContact CD2-CG 4.15Å; Y817-P832 WeakPolarHBondContact CD2-O 3.22Å; Y817-P832 HydrophobicContact CE2-CB 3.97Å; Y817-P832 HydrophobicContact CG-CB 4.21Å; Y817-P832 HydrophobicContact CG-CG 4.13Å; S830-P832 WeakPolarHBondContact O-CD 3.29Å
833P81.1Confident78.5Confident111 Ų11175.5 Ų75.572%0.72144%0.439SS*.PPolyproline II helixtrans-60.8146.7176.426-34.6000111.4K835P833-K835 PolarHBondContact O-N 3.28Å
834Q80.9Confident78Confident91 Ų9178.2 Ų78.243%0.42545%0.448SS..PPolyproline II helixtrans-57.4118.7-178.8-176.7-165.6-78.500110.9R814 T815 T816R814-Q834 HydrophobicContact CB-CG 4.45Å; T815-Q834 WeakPolarHBondContact O-CA 3.06Å; T815-Q834 WeakPolarHBondContact O-CG 3.4Å; T816-Q834 HydrophobicContact CG2-CB 4.45Å; T816-Q834 HydrophobicContact CG2-CG 3.77Å
835K82.1Confident77.5Confident121 Ų12183.1 Ų83.153%0.52646%0.464SS..EExtended strand (participates in β ladder)trans-80.9146.4175.4-65.3174.4-173.2158.30110.1R814 T815 Y817 P833R814-K835 WeakPolarHBondContact CA-O 3.36Å; T815-K835 PolarHBondContact N-O 2.9Å; T815-K835 PolarHBondContact O-N 3.49Å; Y817-K835 HydrophobicContact CE2-CD 4.29Å; Y817-K835 HydrophobicContact CE2-CG 4.37Å; Y817-K835 WeakPolarHBondContact OH-CE 3.17Å; Y817-K835 PolarHBondContact OH-NZ 2.72Å; P833-K835 PolarHBondContact O-N 3.28Å
836V81.3Confident76.7Confident93 Ų9388.8 Ų88.856%0.56449%0.494SS*.EExtended strand (participates in β ladder)trans-125.9122.2178.7-175.80000108.3I812 Q813I812-V836 HydrophobicContact CG2-CG1 3.52Å; Q813-V836 WeakPolarHBondContact O-CA 3.47Å
837S80.3Confident76.1Confident47 Ų4790.8 Ų90.833%0.32950%0.504SS..EExtended strand (participates in β ladder)trans-120148.2-179.954.80000111.1Q813Q813-S837 WeakPolarHBondContact CB-OG 3.25Å; Q813-S837 PolarHBondContact N-O 3.11Å; Q813-S837 PolarHBondContact O-N 3.16Å
838T78.3Confident75.7Confident138 Ų13892.4 Ų92.485%0.84750%0.503SS*.EExtended strand (participates in β ladder)trans-79.8131.6170.151.70000109.9G811G811-T838 WeakPolarHBondContact O-CA 3.5Å
839C74.6Confident75.2Confident23 Ų2391.7 Ų91.716%0.15550%0.496CS..  trans-133.2156.3-176.3620000111.2C808 G811 Q813C808-C839 WeakPolarHBondContact CA-SG 3.31Å; C808-C839 HydrophobicContact CB-CB 3.85Å; C808-C839 WeakPolarHBondContact CB-SG 3.28Å; C808-C839 VanDerWaalsContact SG-C 3.56Å; C808-C839 WeakPolarHBondContact SG-CB 3.47Å; C808-C839 CovalentContact SG-SG 2.03Å; C808-C839 PolarHBondContact SG-SG 2.99Å; G811-C839 VanDerWaalsContact CA-O 3.31Å; G811-C839 WeakPolarHBondContact CA-O 3.32Å; G811-C839 PolarHBondContact O-N 3.48Å; Q813-C839 HydrophobicContact CB-CB 3.97Å
840V72.9Confident75.1Confident102 Ų10291.7 Ų91.762%0.61850%0.502SS*.  trans-109.9131.4176.8-177.40000109F844V840-F844 HydrophobicContact CG1-CB 4.1Å; V840-F844 HydrophobicContact CG1-CD1 4.17Å; V840-F844 HydrophobicContact CG1-CG 4.31Å
841T64.6Low74.8Confident53 Ų5390.4 Ų90.433%0.32549%0.493SS..  trans-78.1144.7-179.555.90000111.6D843 F844T841-D843 PolarHBondContact O-N 2.86Å; T841-D843 VanDerWaalsContact O-N 3.14Å; T841-F844 WeakPolarHBondContact O-CB 2.96Å; T841-F844 PolarHBondContact O-N 2.99Å
842M63Low74.6Confident153 Ų15392.4 Ų92.475%0.75450%0.502SS*.Hα-helixtrans-59.8-25.4178.3-67.4-62.6-7200113.4F844 W845 L846M842-F844 PolarHBondContact O-N 3.19Å; M842-W845 PolarHBondContact O-N 3.03Å; M842-L846 PolarHBondContact O-N 3.36Å
843D65.6Low74.5Confident81 Ų8193 Ų9343%0.43351%0.513SS..Hα-helixtrans-59.7-30.3174.3175.855.1000113.1T841 K847T841-D843 PolarHBondContact O-N 2.86Å; T841-D843 VanDerWaalsContact O-N 3.14Å; D843-K847 VanDerWaalsContact CG-NZ 3.28Å; D843-K847 WeakPolarHBondContact O-CB 3.34Å; D843-K847 WeakPolarHBondContact O-CG 3.48Å; D843-K847 PolarHBondContact O-N 2.98Å; D843-K847 WeakPolarHBondContact OD1-CE 3.38Å; D843-K847 IonicContact OD1-NZ 2.9Å; D843-K847 PolarHBondContact OD1-NZ 3.42Å; D843-K847 VanDerWaalsContact OD1-NZ 3.15Å; D843-K847 WeakPolarHBondContact OD2-CE 3.29Å; D843-K847 IonicContact OD2-NZ 3.33Å; D843-K847 PolarHBondContact OD2-NZ 2.03Å
844F67.5Low74.7Confident113 Ų11392.7 Ų92.750%0.49651%0.505SS..Hα-helixtrans-63.8-49173.1179.2-98.5000111.7V840 T841 M842 L846 K847 L848V840-F844 HydrophobicContact CG1-CB 4.1Å; V840-F844 HydrophobicContact CG1-CD1 4.17Å; V840-F844 HydrophobicContact CG1-CG 4.31Å; T841-F844 WeakPolarHBondContact O-CB 2.96Å; T841-F844 PolarHBondContact O-N 2.99Å; M842-F844 PolarHBondContact O-N 3.19Å; F844-L846 VanDerWaalsContact C-N 3.33Å; F844-L846 PolarHBondContact O-N 3.36Å; F844-K847 PolarHBondContact O-N 3.47Å; F844-L848 HydrophobicContact CE1-CD1 4Å; F844-L848 HydrophobicContact CZ-CD1 3.95Å; F844-L848 WeakPolarHBondContact O-CB 3.18Å; F844-L848 PolarHBondContact O-N 3.11Å
845W67.4Low74.8Confident162 Ų16293.4 Ų93.461%0.61451%0.511SS*.Hα-helixtrans-63.6-39177.9-71107.2000112.3M842 L848 G849M842-W845 PolarHBondContact O-N 3.03Å; W845-L848 PolarHBondContact O-N 3.28Å; W845-G849 PolarHBondContact O-N 2.76Å
846L69.9Low74.8Confident120 Ų12089.7 Ų89.763%0.62850%0.503SS*.Hα-helixtrans-65.7-45.4179.1-156.9157.7000111.1M842 F844 G849 V850M842-L846 PolarHBondContact O-N 3.36Å; F844-L846 VanDerWaalsContact C-N 3.33Å; F844-L846 PolarHBondContact O-N 3.36Å; L846-G849 PolarHBondContact O-N 3.49Å; L846-V850 HydrophobicContact CD2-CG2 4.19Å; L846-V850 WeakPolarHBondContact O-CG2 3.25Å; L846-V850 PolarHBondContact O-N 3.15Å
847K72.4Confident75Confident123 Ų12387.5 Ų87.554%0.53549%0.494SS..Hα-helixtrans-61.1-45.2174-76166.1177.3163.80112.3D843 F844 G849 V850 S851D843-K847 VanDerWaalsContact CG-NZ 3.28Å; D843-K847 WeakPolarHBondContact O-CB 3.34Å; D843-K847 WeakPolarHBondContact O-CG 3.48Å; D843-K847 PolarHBondContact O-N 2.98Å; D843-K847 WeakPolarHBondContact OD1-CE 3.38Å; D843-K847 IonicContact OD1-NZ 2.9Å; D843-K847 PolarHBondContact OD1-NZ 3.42Å; D843-K847 VanDerWaalsContact OD1-NZ 3.15Å; D843-K847 WeakPolarHBondContact OD2-CE 3.29Å; D843-K847 IonicContact OD2-NZ 3.33Å; D843-K847 PolarHBondContact OD2-NZ 2.03Å; F844-K847 PolarHBondContact O-N 3.47Å; K847-G849 PolarHBondContact O-N 2.91Å; K847-V850 PolarHBondContact O-N 3.11Å; K847-S851 PolarHBondContact O-N 2.86Å; K847-S851 PolarHBondContact O-OG 2.86Å
848L74.6Confident75.3Confident74 Ų7490.4 Ų90.439%0.38751%0.506SS..Hα-helixtrans-64.2-39.5-180-165.1138.2000112F844 W845 I852F844-L848 HydrophobicContact CE1-CD1 4Å; F844-L848 HydrophobicContact CZ-CD1 3.95Å; F844-L848 WeakPolarHBondContact O-CB 3.18Å; F844-L848 PolarHBondContact O-N 3.11Å; W845-L848 PolarHBondContact O-N 3.28Å; L848-I852 HydrophobicContact CD2-CD1 3.71Å; L848-I852 WeakPolarHBondContact O-CG1 3.05Å; L848-I852 PolarHBondContact O-N 3.38Å
849G73.3Confident75.6Confident42 Ų4289.1 Ų89.143%0.43349%0.493SS..Hα-helixtrans-63.1-45.1172.600000113.5W845 L846 K847 S851 I852 G853W845-G849 PolarHBondContact O-N 2.76Å; L846-G849 PolarHBondContact O-N 3.49Å; K847-G849 PolarHBondContact O-N 2.91Å; G849-S851 PolarHBondContact O-N 3.42Å; G849-I852 PolarHBondContact O-N 2.84Å; G849-G853 PolarHBondContact O-N 2.86Å
850V79.4Confident76Confident87 Ų8793.7 Ų93.753%0.52752%0.515SS..Hα-helixtrans-61.7-43.6176.9170.80000111.5L846 K847 I852 G853 L854L846-V850 HydrophobicContact CD2-CG2 4.19Å; L846-V850 WeakPolarHBondContact O-CG2 3.25Å; L846-V850 PolarHBondContact O-N 3.15Å; K847-V850 PolarHBondContact O-N 3.11Å; V850-I852 PolarHBondContact O-N 2.84Å; V850-G853 PolarHBondContact O-N 2.88Å; V850-L854 WeakPolarHBondContact O-CB 3.37Å; V850-L854 PolarHBondContact O-N 3.42Å
851S75.3Confident76.6Confident71 Ų7193.8 Ų93.850%0.49751%0.511SS..Hα-helixtrans-60.7-43.4177.1-63.70000112.8K847 G849 L854 I855K847-S851 PolarHBondContact O-N 2.86Å; K847-S851 PolarHBondContact O-OG 2.86Å; G849-S851 PolarHBondContact O-N 3.42Å; S851-L854 PolarHBondContact O-N 2.94Å; S851-I855 WeakPolarHBondContact O-CG1 3.27Å; S851-I855 PolarHBondContact O-N 3.47Å
852I80.1Confident77.5Confident106 Ų10693.3 Ų93.354%0.54452%0.517SS..Hα-helixtrans-64.9-43.9177.9-68168.9000110.9L848 G849 V850 L854 I855 A856L848-I852 HydrophobicContact CD2-CD1 3.71Å; L848-I852 WeakPolarHBondContact O-CG1 3.05Å; L848-I852 PolarHBondContact O-N 3.38Å; G849-I852 PolarHBondContact O-N 2.84Å; V850-I852 PolarHBondContact O-N 2.84Å; I852-L854 VanDerWaalsContact C-N 3.34Å; I852-L854 PolarHBondContact O-N 2.02Å; I852-I855 PolarHBondContact O-N 3.46Å; I852-A856 PolarHBondContact O-N 3.11Å
853G80Confident78.4Confident41 Ų4190.2 Ų90.242%0.42350%0.503SS..Hα-helixtrans-60.7-39.9177.500000113.4G849 V850 A856 A857G849-G853 PolarHBondContact O-N 2.86Å; V850-G853 PolarHBondContact O-N 2.88Å; G853-A856 PolarHBondContact O-N 3Å; G853-A857 PolarHBondContact O-N 3.32Å
854L84.8Confident79.2Confident106 Ų10690.1 Ų90.156%0.55551%0.509SS*.Hα-helixtrans-68.9-39.2-179.8-147161.2000111.7V850 S851 I852 A857 L858V850-L854 WeakPolarHBondContact O-CB 3.37Å; V850-L854 PolarHBondContact O-N 3.42Å; S851-L854 PolarHBondContact O-N 2.94Å; I852-L854 VanDerWaalsContact C-N 3.34Å; I852-L854 PolarHBondContact O-N 2.02Å; L854-A857 PolarHBondContact O-N 3.16Å; L854-L858 HydrophobicContact CD2-CD1 3.95Å; L854-L858 HydrophobicContact CD2-CG 4.36Å; L854-L858 WeakPolarHBondContact O-CG 3.28Å; L854-L858 PolarHBondContact O-N 2.96Å; L854-L858 VanDerWaalsContact O-N 3.17Å
855I83.3Confident79.7Confident105 Ų10588.2 Ų88.254%0.53851%0.509SS..Hα-helixtrans-64.1-43.4173.1-66.7165.5000111S851 I852 A857 L858 L859S851-I855 WeakPolarHBondContact O-CG1 3.27Å; S851-I855 PolarHBondContact O-N 3.47Å; I852-I855 PolarHBondContact O-N 3.46Å; I855-A857 PolarHBondContact O-N 3.29Å; I855-L858 PolarHBondContact O-N 3.2Å; I855-L859 HydrophobicContact CG2-CD1 4.24Å; I855-L859 PolarHBondContact O-N 3.03Å
856A82.6Confident80.3Confident44 Ų4486.7 Ų86.736%0.36450%0.504SS..Hα-helixtrans-62.8-40.8177.500000112.4I852 G853 L859 L860I852-A856 PolarHBondContact O-N 3.11Å; G853-A856 PolarHBondContact O-N 3Å; A856-L859 PolarHBondContact O-N 2.9Å; A856-L860 WeakPolarHBondContact O-CG 3.39Å; A856-L860 PolarHBondContact O-N 2.9Å
857A84.6Confident80.6Confident46 Ų4686.6 Ų86.638%0.3850%0.498SS..Hα-helixtrans-61.9-44.1176.300000112.3G853 L854 I855 L859 L860 I861G853-A857 PolarHBondContact O-N 3.32Å; L854-A857 PolarHBondContact O-N 3.16Å; I855-A857 PolarHBondContact O-N 3.29Å; A857-L859 PolarHBondContact O-N 2.6Å; A857-L860 PolarHBondContact O-N 2.83Å; A857-I861 WeakPolarHBondContact O-CG1 3.38Å; A857-I861 PolarHBondContact O-N 2.65Å
858L86.4Confident80.7Confident108 Ų10889.4 Ų89.457%0.56551%0.506SS*.Hα-helixtrans-64-39.1176.7-70.5171000112.4L854 I855 I861 G862L854-L858 HydrophobicContact CD2-CD1 3.95Å; L854-L858 HydrophobicContact CD2-CG 4.36Å; L854-L858 WeakPolarHBondContact O-CG 3.28Å; L854-L858 PolarHBondContact O-N 2.96Å; L854-L858 VanDerWaalsContact O-N 3.17Å; I855-L858 PolarHBondContact O-N 3.2Å; L858-I861 PolarHBondContact O-N 3.21Å; L858-G862 PolarHBondContact O-N 3.09Å
859L84.5Confident80.6Confident112 Ų11294 Ų9459%0.58652%0.522SS*.Hα-helixtrans-62.9-42.7173.8-82166.6000112.4I855 A856 A857 G862 L863I855-L859 HydrophobicContact CG2-CD1 4.24Å; I855-L859 PolarHBondContact O-N 3.03Å; A856-L859 PolarHBondContact O-N 2.9Å; A857-L859 PolarHBondContact O-N 2.6Å; L859-G862 PolarHBondContact O-N 3.42Å; L859-L863 WeakPolarHBondContact O-CB 3.36Å; L859-L863 WeakPolarHBondContact O-CG 3.22Å; L859-L863 PolarHBondContact O-N 2.82Å
860L83.8Confident80.3Confident119 Ų11996.8 Ų96.862%0.62352%0.523SS*.Hα-helixtrans-64.5-40.7177.2-73.4169.6000112.3A856 A857 L863 S864A856-L860 WeakPolarHBondContact O-CG 3.39Å; A856-L860 PolarHBondContact O-N 2.9Å; A857-L860 PolarHBondContact O-N 2.83Å; L860-L863 PolarHBondContact O-N 2.85Å; L860-S864 WeakPolarHBondContact O-CB 3.34Å; L860-S864 PolarHBondContact O-N 3.07Å
861I84.9Confident79.5Confident104 Ų10496.8 Ų96.853%0.53352%0.523SS..Hα-helixtrans-62.9-46.3174-66.7164.7000110.3A857 L858 L863 S864 C865A857-I861 WeakPolarHBondContact O-CG1 3.38Å; A857-I861 PolarHBondContact O-N 2.65Å; L858-I861 PolarHBondContact O-N 3.21Å; I861-L863 PolarHBondContact O-N 2.77Å; I861-S864 PolarHBondContact O-N 3.3Å; I861-C865 PolarHBondContact O-N 2.97Å; I861-C865 PolarHBondContact O-SG 3.29Å
862G83.9Confident78.7Confident43 Ų43102.2 Ų102.244%0.44353%0.533SS..Hα-helixtrans-59.5-43.9176.800000113.3L858 L859 Y866L858-G862 PolarHBondContact O-N 3.09Å; L859-G862 PolarHBondContact O-N 3.42Å; G862-Y866 WeakPolarHBondContact O-CB 3.33Å; G862-Y866 PolarHBondContact O-N 3.06Å
863L82.6Confident77.4Confident88 Ų88105.7 Ų105.746%0.46154%0.544SS..Hα-helixtrans-63.3-45174.8-76.8165.5000111.8L859 L860 I861 C865 Y866 F867L859-L863 WeakPolarHBondContact O-CB 3.36Å; L859-L863 WeakPolarHBondContact O-CG 3.22Å; L859-L863 PolarHBondContact O-N 2.82Å; L860-L863 PolarHBondContact O-N 2.85Å; I861-L863 PolarHBondContact O-N 2.77Å; L863-C865 PolarHBondContact O-N 2.91Å; L863-Y866 WeakPolarHBondContact O-CB 3.34Å; L863-Y866 PolarHBondContact O-N 2.97Å; L863-F867 HydrophobicContact CD2-CE2 4.42Å; L863-F867 WeakPolarHBondContact O-CD2 3.23Å; L863-F867 PolarHBondContact O-N 2.89Å
864S81Confident76.1Confident79 Ų79108.5 Ų108.555%0.55255%0.549SS*.Hα-helixtrans-60.4-46.2177.7-170.50000111.7L860 I861 Y866 F867 W868L860-S864 WeakPolarHBondContact O-CB 3.34Å; L860-S864 PolarHBondContact O-N 3.07Å; I861-S864 PolarHBondContact O-N 3.3Å; S864-Y866 PolarHBondContact O-N 2.82Å; S864-F867 PolarHBondContact O-N 3.36Å; S864-W868 WeakPolarHBondContact O-CB 3.34Å; S864-W868 PolarHBondContact O-N 2.85Å
865C79.1Confident74.6Confident73 Ų73111.2 Ų111.249%0.49356%0.559SS.*Hα-helixtrans-62.4-38.4173.7-70.90000113.1I861 L863 K869I861-C865 PolarHBondContact O-N 2.97Å; I861-C865 PolarHBondContact O-SG 3.29Å; L863-C865 PolarHBondContact O-N 2.91Å; C865-K869 WeakPolarHBondContact O-CB 3.14Å; C865-K869 PolarHBondContact O-N 3.47Å; C865-K869 VanDerWaalsContact O-N 3.1Å
866Y80.4Confident72.9Confident130 Ų130116.2 Ų116.251%0.5157%0.572SS.*Hα-helixtrans-62.2-49.2174.6172.5-91.8000111.5G862 L863 S864 K869 K870G862-Y866 WeakPolarHBondContact O-CB 3.33Å; G862-Y866 PolarHBondContact O-N 3.06Å; L863-Y866 WeakPolarHBondContact O-CB 3.34Å; L863-Y866 PolarHBondContact O-N 2.97Å; S864-Y866 PolarHBondContact O-N 2.82Å; Y866-K869 PolarHBondContact O-N 2.88Å; Y866-K870 HydrophobicContact CE1-CD 3.66Å; Y866-K870 VanDerWaalsContact O-CB 3.31Å; Y866-K870 WeakPolarHBondContact O-CB 3.43Å; Y866-K870 PolarHBondContact O-N 3.24Å; Y866-K870 PolarHBondContact OH-NZ 3.27Å
867F75.5Confident71.3Confident117 Ų117122.7 Ų122.751%0.51359%0.592SS.*Hα-helixtrans-64.3-46.1178.5-79.1-67.6000111.9L863 S864 K869 K870 T871L863-F867 HydrophobicContact CD2-CE2 4.42Å; L863-F867 WeakPolarHBondContact O-CD2 3.23Å; L863-F867 PolarHBondContact O-N 2.89Å; S864-F867 PolarHBondContact O-N 3.36Å; F867-K869 VanDerWaalsContact C-N 3.3Å; F867-K869 PolarHBondContact O-N 3.04Å; F867-K870 PolarHBondContact O-N 2.78Å; F867-T871 PolarHBondContact O-N 2.85Å; F867-T871 PolarHBondContact O-OG1 2.87Å; F867-T871 VanDerWaalsContact O-OG1 3.05Å
868W74.3Confident69.5Low183 Ų183129.9 Ų129.969%0.69361%0.611SS**Hα-helixtrans-55.5-44.3176.9-173.570.3000112.4S864 K870 R872S864-W868 WeakPolarHBondContact O-CB 3.34Å; S864-W868 PolarHBondContact O-N 2.85Å; W868-K870 VanDerWaalsContact C-N 3.35Å; W868-K870 PolarHBondContact O-N 2.9Å; W868-R872 PolarHBondContact O-N 3.18Å
869K72.4Confident67.7Low169 Ų169129.9 Ų129.974%0.73562%0.62SS**Hα-helixtrans-70-28176.9-164.4171.2-174.91750113.2C865 Y866 F867C865-K869 WeakPolarHBondContact O-CB 3.14Å; C865-K869 PolarHBondContact O-N 3.47Å; C865-K869 VanDerWaalsContact O-N 3.1Å; Y866-K869 PolarHBondContact O-N 2.88Å; F867-K869 VanDerWaalsContact C-N 3.3Å; F867-K869 PolarHBondContact O-N 3.04Å
870K67.3Low65.5Low102 Ų102134.6 Ų134.644%0.44363%0.63SS.*Hα-helixtrans-79.1-46.2178.5-167.3171.8-175175.30112.2Y866 F867 W868 R872 K873Y866-K870 HydrophobicContact CE1-CD 3.66Å; Y866-K870 VanDerWaalsContact O-CB 3.31Å; Y866-K870 WeakPolarHBondContact O-CB 3.43Å; Y866-K870 PolarHBondContact O-N 3.24Å; Y866-K870 PolarHBondContact OH-NZ 3.27Å; F867-K870 PolarHBondContact O-N 2.78Å; W868-K870 VanDerWaalsContact C-N 3.35Å; W868-K870 PolarHBondContact O-N 2.9Å; K870-R872 VanDerWaalsContact C-N 3.33Å; K870-R872 PolarHBondContact O-N 2.79Å; K870-K873 WeakPolarHBondContact O-CB 3.38Å; K870-K873 PolarHBondContact O-N 3.12Å
871T62.3Low63.4Low87 Ų87136.4 Ų136.453%0.53464%0.639SS.*Hα-helixtrans-61-41.1179-52.90000111.5F867 K873 L874F867-T871 PolarHBondContact O-N 2.85Å; F867-T871 PolarHBondContact O-OG1 2.87Å; F867-T871 VanDerWaalsContact O-OG1 3.05Å; T871-K873 PolarHBondContact O-N 2.73Å; T871-K873 VanDerWaalsContact O-N 3.09Å; T871-L874 PolarHBondContact O-N 3.17Å; T871-L874 VanDerWaalsContact O-N 3.1Å
872R58.9Low61Low185 Ų185140.9 Ų140.970%0.69866%0.66SS**THydrogen-bonded Turntrans-64.4-13.8176.9-155.8173.4-175.3-175.10.4114W868 K870W868-R872 PolarHBondContact O-N 3.18Å; K870-R872 VanDerWaalsContact C-N 3.33Å; K870-R872 PolarHBondContact O-N 2.79Å
873K52Low58.6Low179 Ų179147.4 Ų147.478%0.77868%0.681SS**THydrogen-bonded Turntrans-90.8-12.5176.6-159.4174.4-178.1-179.50113.6K870 T871K870-K873 WeakPolarHBondContact O-CB 3.38Å; K870-K873 PolarHBondContact O-N 3.12Å; T871-K873 PolarHBondContact O-N 2.73Å; T871-K873 VanDerWaalsContact O-N 3.09Å
874L53.8Low56.2Low100 Ų100148.3 Ų148.352%0.52470%0.695SS.*THydrogen-bonded Turntrans-90-29.2-176.2-82156.8000114T871 Y876 K877T871-L874 PolarHBondContact O-N 3.17Å; T871-L874 VanDerWaalsContact O-N 3.1Å; L874-Y876 PolarHBondContact O-N 3.49Å; L874-Y876 VanDerWaalsContact O-N 3.12Å; L874-K877 PolarHBondContact O-N 3.01Å
875Q52.4Low53.9Low163 Ų163149.6 Ų149.676%0.76270%0.704SS**THydrogen-bonded Turntrans-64.5-16-178.2-75.5-178.5-47.300114.9
876Y49Very low51.6Low210 Ų210155.5 Ų155.582%0.82472%0.724SS**THydrogen-bonded Turntrans-85.7-3.7179.9-165-102.8000114.5L874L874-Y876 PolarHBondContact O-N 3.49Å; L874-Y876 VanDerWaalsContact O-N 3.12Å
877K49.2Very low49.4Very low179 Ų179152.4 Ų152.478%0.77873%0.732SS**SBendtrans-124.64.8-174.8-81.2-162.5170.2-166.90116.7L874L874-K877 PolarHBondContact O-N 3.01Å
878Y45.5Very low47.4Very low197 Ų197155.1 Ų155.177%0.77374%0.744SS**SBendtrans-113.112.4-179.7-91-80.3000115
879S49Very low45.3Very low108 Ų108153.5 Ų153.576%0.75574%0.744SS**SBendtrans-92.97.4175.655.40000114.7
880R39.3Very low43.4Very low211 Ų211150.4 Ų150.480%0.79674%0.742SS**SBendtrans-140135.6169.9-103.5174.365.2174.30.5108.9
881L39.3Very low41.5Very low157 Ų157153.7 Ų153.782%0.82276%0.759SS**  trans67.576176.5-56.5162.8000115.1
882M33.3Very low40.1Very low199 Ų199157.2 Ų157.298%0.9877%0.774SS**  -146.8124.2106.1-103.7-171.9179.500110.5
883M34.5Very low39.7Very low179 Ų179153.2 Ų153.288%0.88277%0.772SS**  trans-133.5146.5169.2-179.9177177.600105.6
884S32.4Very low38.8Very low107 Ų107151.5 Ų151.575%0.74878%0.776SS**  trans73.4141.1178.573.80000118.8
885S32.1Very low38Very low106 Ų106151 Ų15174%0.74179%0.786SS**  trans67.9142160.869.20000120.7
886E31.9Very low36.9Very low198 Ų198150.9 Ų150.993%0.92579%0.791SS**  cis-169.7162.3-37.8-129.9174.916000110.6
887G33.3Very low36.1Very low65 Ų65144.9 Ų144.967%0.6778%0.78SS**  trans108.2111.7147.400000119.3
888K33.1Very low35.3Very low174 Ų174142.2 Ų142.276%0.75778%0.782SS**  trans76.5120.5145.1-60.2-153162.7-141.30118.2
889E31.1Very low34.6Very low149 Ų149136.4 Ų136.470%0.69678%0.775SS**  66.3129.771.1-63.2160.7-172.200111.1
890C31.3Very low33.8Very low103 Ų103138.8 Ų138.870%0.69678%0.778SS**  cis-169.6171.9-6.4-116.20000108.1
891E28.8Very low33.6Very low172 Ų172135.6 Ų135.680%0.80477%0.774SS**  cis-154.1-143.22.8-147.2155.5118.900111.8
892L31.9Very low33.5Very low161 Ų161136.5 Ų136.584%0.84377%0.774SS**  trans-134.4-174174.3-74.9155.8000108
893P50.4Low33.6Very low100 Ų100130.1 Ų130.165%0.64976%0.759SS**  cis-136.3174.6-5.440.7-22.8000116.5
894T32.3Very low33.7Very low143 Ų143130.4 Ų130.488%0.87776%0.758SS**  trans54.6167.5144.149.90000123.4
895A38.1Very low34Very low89 Ų89132.2 Ų132.274%0.73676%0.76SS**  trans-120.6164.6-174.700000112.5
896D28.5Very low34.2Very low161 Ų161131.6 Ų131.686%0.86176%0.76SS**  trans-175.9171.2156.4-103.3-10000107.1
897S33.2Very low34.5Very low85 Ų85131.2 Ų131.259%0.59476%0.759SS**  cis179.8142.6-33.5178.40000108.3
898C32.6Very low34.7Very low122 Ų122135.5 Ų135.582%0.82477%0.766SS**  trans59173.6164.3-740000117.4
899A29.9Very low34.8Very low75 Ų75133.4 Ų133.462%0.6276%0.764SS**  cis-158.1147.9-37.900000110.6
900I33.4Very low35.1Very low159 Ų159131.9 Ų131.982%0.81576%0.76SS**  trans36124.2132.4-54.2165.4000118.6
901M33.8Very low35.3Very low144 Ų144134 Ų13471%0.70976%0.761SS**  -165.7141.8112.9-93.9-163.3-32.200111.8
902E37.3Very low35.4Very low175 Ų175131.4 Ų131.482%0.81875%0.752SS**  trans55.5135.4147.1-60.8163.1169.100120
903G36.2Very low35.5Very low65 Ų65129.6 Ų129.667%0.6774%0.743SS**  cis162.3143.8-7.200000112.3
904E35.9Very low34.6Very low186 Ų186130.4 Ų130.487%0.86975%0.747SS**  trans59141.7162.6-64.5169.3167.700117.8
905D39.3Very low34.6Very low145 Ų145130.5 Ų130.578%0.77574%0.736SS**  cis-158.8159.64.3-129.7-9.1000112.4
906A35.4Very low34.2Very low92 Ų92134.2 Ų134.276%0.7674%0.736SS**  trans60.7142.8165.900000119
907E39.7Very low34.3Very low190 Ų190130.2 Ų130.289%0.88872%0.721SS**  cis-133.317211.8-68179.6174.100112.3
908D35.8Very low34.3Very low155 Ų155134.6 Ų134.683%0.82973%0.729SS**  trans-63.4137.1-166.3-61.3-47.2000115.9
909D36.8Very low34.5Very low131 Ų131137.2 Ų137.270%0.70173%0.727SS**  79.2140.865-113.427.1000114
910L36.3Very low34.6Very low117 Ų117139 Ų13961%0.61373%0.73SS**  cis-162.4141.34.7-173.657.5000112.3
911M35.1Very low34.4Very low148 Ų148140.3 Ų140.373%0.72973%0.73SS**  trans62.5154.3152.7-77.3174174.600122.1
912D30.7Very low34.5Very low116 Ų116141 Ų14162%0.6274%0.735SS**  cis-151.7160.4-5.4-133.3-7.3000119.1
913L34.5Very low34.3Very low123 Ų123141.9 Ų141.964%0.64474%0.736SS**  trans37.2104146.6-77.8170.2000123.9
914T31.3Very low34Very low118 Ų118142.8 Ų142.872%0.72473%0.732SS**  66.2160.7124.665.20000121.8
915H31.8Very low33.7Very low144 Ų144143 Ų14367%0.66773%0.731SS**  cis-144.9152.2-2.1-154.1-135.9000113.5
916K30.2Very low33.2Very low167 Ų167141.4 Ų141.473%0.72673%0.731SS**  trans-19.1157.3154.6-68.9177.7-164.8149.10118.4
917S30.5Very low33Very low78 Ų78148.5 Ų148.555%0.54574%0.738SS.*  cis169.4167.8-553.90000110.9
918F32.9Very low32.5Very low176 Ų176146.6 Ų146.677%0.77273%0.729SS**  trans67.6150.1166.7-57.9-64.4000115.7
919F37.3Very low32.3Very low178 Ų178148.6 Ų148.678%0.78173%0.725SS**  cis-154.7154.419.6-100.2-50.4000108.2
920T31.7Very low32Very low111 Ų111147.6 Ų147.668%0.68172%0.724SS**  cis-161.9177.6-8.5-27.20000108.5
921K30.7Very low31.8Very low188 Ų188146.2 Ų146.282%0.81772%0.724SS**  trans73.5145161.5-73.7179.1177.1179.40116.2
922I36.2Very low31.6Very low157 Ų157146.6 Ų146.681%0.80573%0.729SS**  cis-137.2154.83.1-104.5141.9000110.2
923K31.6Very low31.5Very low194 Ų194144.6 Ų144.684%0.84374%0.736SS**  trans-117.9154.6168.8-93.2-170.5176.8-177.60108.3
924S30.8Very low31.3Very low84 Ų84149.1 Ų149.159%0.58775%0.751SS**  cis-169.5-168.6-1.945.20000109.9
925F29Very low31.1Very low192 Ų192150.2 Ų150.284%0.84275%0.752SS**  trans81.9140.4175.3-61-84000116.4
926S29.9Very low31Very low111 Ų111147.6 Ų147.678%0.77675%0.75SS**  cis-164.3157.7-27.738.50000110.3
927R29.4Very low30.9Very low241 Ų241146 Ų14691%0.90975%0.754SS**  trans-92.9129.2-175.6155.4-175.4147.5-178.3-4.9112.8
928E30.3Very low31.5Very low149 Ų149147.3 Ų147.370%0.69676%0.761SS**  trans179.3156.8144-104-173.8-15200107.5
929R30.6Very low31.3Very low197 Ų197147.8 Ų147.874%0.74377%0.77SS**  cis-151.71799-145.4171.4169.8108.9-7.4110
930T30.9Very low30.7Very low111 Ų111148.3 Ų148.368%0.68177%0.772SS**  trans-8.1138.3156.845.40000117.4
931S33.3Very low30.4Very low87 Ų87148.2 Ų148.261%0.60878%0.776SS**  cis129.1157.825.6650000107.5
932D30.7Very low30.4Very low156 Ų156143.4 Ų143.483%0.83477%0.766SS**  trans68.7136165-49-60.3000120.8
933G28.4Very low30.1Very low75 Ų75145.6 Ų145.677%0.77377%0.766SS**  trans108.1100.8135.800000119.4
934F29.6Very low30Very low218 Ų218143 Ų14396%0.95676%0.757SS**  trans-31140.3160.3-77.1-102.2000118.6
935D27.1Very low29.9Very low140 Ų140145.1 Ų145.175%0.74976%0.757SS**  trans-153.7133.6150-158.121.9000107.2
936S29.8Very low29.9Very low90 Ų90142.4 Ų142.463%0.62975%0.747SS**  cis95.8139.713.9117.50000115.9
937V28.8Very low30Very low132 Ų132142.6 Ų142.680%0.874%0.736SS**  cis-113.3-83.8-15.2-179.70000113.5
938P42.1Very low30.2Very low107 Ų107138 Ų13870%0.69573%0.725SS**  trans-136.3167.6-158.441.2-20.9000118.7
939L29.3Very low30.3Very low185 Ų185136.4 Ų136.497%0.96972%0.721SS**  trans-138.8159151.2-87.4-178.4000112.2
940K24.6Very low30.5Very low190 Ų190134.3 Ų134.383%0.82672%0.72SS**  trans-106.3155.2-167.1-67.3176.3170.9178.80113.9
941S26.4Very low30.8Very low109 Ų109136 Ų13676%0.76272%0.719SS**  trans66.2160.2145.356.80000116.8
942S28.9Very low31Very low87 Ų87139.2 Ų139.261%0.60873%0.725SS**  cis-164.416628.9-38.50000113.1
943Y29.8Very low31.3Very low202 Ų202139.7 Ų139.779%0.79272%0.722SS**  trans63.8123.3165.7-70.7-89000116.5
944Q29.6Very low31.8Very low139 Ų139144.5 Ų144.565%0.6573%0.725SS**  64.2142.473.7-79.5-170.3-36.500113.5
945H30Very low32.2Very low129 Ų129145.7 Ų145.760%0.59774%0.741SS**  cis-127.7161.812-106-81.6000110.4
946Q29.3Very low32.5Very low135 Ų135146 Ų14663%0.63174%0.74SS**  51.7140.897.9-119.8-179.3-28.300113.7
947Q31.3Very low32.6Very low116 Ų116148.9 Ų148.954%0.54275%0.746SS.*  cis-168.215124.5-168154.2-5.400110
948E32.9Very low32.8Very low144 Ų144149.8 Ų149.867%0.67374%0.743SS**  trans47.7151.2146.1-65.8162.1-162.200120.2
949D33.1Very low32.3Very low115 Ų115152.4 Ų152.462%0.61575%0.746SS**  cis-162.3175.4-7.1-112.1-20.3000109.7
950E35.7Very low32.5Very low154 Ų154150.3 Ų150.372%0.7273%0.732SS**  trans54.4145146.6-66.9161.5-179.300119.4
951E35.5Very low33Very low145 Ų145147.7 Ų147.768%0.67873%0.726SS**  cis-158.4159.5-5-123.6164-167.200109.2
952E39.1Very low33.5Very low155 Ų155150.4 Ų150.472%0.72472%0.723SS**  trans24.8157.1134-6917118000122.1
953E35.8Very low33.8Very low166 Ų166155.3 Ų155.378%0.77673%0.732SS**  cis-149.9-165.314.3-141.9173-17300112.9
954E39.1Very low34.1Very low177 Ų177151.4 Ų151.483%0.82773%0.727SS**  trans-71.4145.8-167-57.9176.7138.500117.2
955D38.3Very low34.6Very low242 Ų242152.5 Ų152.5100%1.29473%0.734SS**  -168.20122.1-122.5-8.7000111.1

Retrieved 955 of 955 residues in 241 ms (Link to these results)

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