A0A061IJJ7_CRIGR Loading...

Lymphocyte antigen 6 complex locus protein G6f-like protein

AlphaFold DB , UniProt , Accession A0A061IJJ7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100771134, Length 302 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
1M54.7Low60.7Low190 Ų190106.4 Ų106.494%0.93659%0.594SS**  0-53.20-61.2-53.9-92.800112.6V3 I4 V5M1-V3 PolarHBondContact O-N 2.95Å; M1-I4 PolarHBondContact O-N 3.29Å; M1-V5 WeakPolarHBondContact O-CG2 2.96Å; M1-V5 PolarHBondContact O-N 3.46Å
2A59.6Low60Low81 Ų81112.5 Ų112.567%0.66961%0.611SS**Hα-helixtrans-60.8-37.7179.800000114.8I4 V5 A6A2-I4 PolarHBondContact O-N 3.48Å; A2-V5 PolarHBondContact O-N 3.5Å; A2-A6 WeakPolarHBondContact O-CB 3.24Å; A2-A6 PolarHBondContact O-N 3.33Å
3V64.3Low59.1Low118 Ų118120.8 Ų120.872%0.71563%0.628SS**Hα-helixtrans-68.4-35.2-179.8-177.40000112.3M1 L7M1-V3 PolarHBondContact O-N 2.95Å; V3-L7 WeakPolarHBondContact O-CB 3.46Å; V3-L7 PolarHBondContact O-N 3.29Å
4I63.1Low58Low100 Ų100119.8 Ų119.851%0.51363%0.634SS.*Hα-helixtrans-72.3-40.7179.1-61.5170.9000110M1 A2 L7 H8M1-I4 PolarHBondContact O-N 3.29Å; A2-I4 PolarHBondContact O-N 3.48Å; I4-L7 PolarHBondContact O-N 3.48Å; I4-H8 PolarHBondContact O-N 3.33Å; I4-H8 PolarHBondContact O-ND1 3.35Å
5V69.5Low57Low87 Ų87115.3 Ų115.353%0.52763%0.628SS.*Hα-helixtrans-64.5-42.8175.1174.20000110.8M1 A2 H8 L9M1-V5 WeakPolarHBondContact O-CG2 2.96Å; M1-V5 PolarHBondContact O-N 3.46Å; A2-V5 PolarHBondContact O-N 3.5Å; V5-H8 PolarHBondContact O-N 2.76Å; V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CB 3.32Å; V5-L9 PolarHBondContact O-N 2.97Å
6A66.2Low55.6Low46 Ų46114.8 Ų114.838%0.3863%0.634SS.*Hα-helixtrans-63.9-40.1175.500000112.6A2 L9 L10A2-A6 WeakPolarHBondContact O-CB 3.24Å; A2-A6 PolarHBondContact O-N 3.33Å; A6-L9 PolarHBondContact O-N 3.5Å; A6-L10 WeakPolarHBondContact O-CB 3.42Å; A6-L10 VanDerWaalsContact O-CG 3.32Å; A6-L10 WeakPolarHBondContact O-CG 3.39Å; A6-L10 PolarHBondContact O-N 3.37Å
7L58.8Low54.6Low106 Ų106115.2 Ų115.256%0.55564%0.644SS**Hα-helixtrans-65.8-38.3176.4-159.180.3000111.8V3 I4 L11V3-L7 WeakPolarHBondContact O-CB 3.46Å; V3-L7 PolarHBondContact O-N 3.29Å; I4-L7 PolarHBondContact O-N 3.48Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 3.21Å
8H59Low53.7Low117 Ų117122.3 Ų122.354%0.54266%0.659SS.*Hα-helixtrans-69.5-36.9175.4-77.328000112.7I4 V5 L11 F12I4-H8 PolarHBondContact O-N 3.33Å; I4-H8 PolarHBondContact O-ND1 3.35Å; V5-H8 PolarHBondContact O-N 2.76Å; H8-L11 PolarHBondContact O-N 3.46Å; H8-F12 PolarHBondContact O-N 2.93Å
9L59.2Low52.9Low93 Ų93120.5 Ų120.549%0.48766%0.663SS.*Hα-helixtrans-66.5-40173.7-92.5146.1000112.3V5 A6 F12 W13V5-L9 HydrophobicContact CG1-CD1 3.85Å; V5-L9 WeakPolarHBondContact O-CB 3.32Å; V5-L9 PolarHBondContact O-N 2.97Å; A6-L9 PolarHBondContact O-N 3.5Å; L9-F12 PolarHBondContact O-N 2.96Å; L9-W13 PolarHBondContact O-N 3.33Å
10L57.7Low52.2Low114 Ų114119 Ų11960%0.59767%0.667SS**Hα-helixtrans-68-36.6175.4-73166.6000112.2A6 F12 W13 C14A6-L10 WeakPolarHBondContact O-CB 3.42Å; A6-L10 VanDerWaalsContact O-CG 3.32Å; A6-L10 WeakPolarHBondContact O-CG 3.39Å; A6-L10 PolarHBondContact O-N 3.37Å; L10-F12 VanDerWaalsContact C-N 3.31Å; L10-W13 PolarHBondContact O-N 2.94Å; L10-C14 WeakPolarHBondContact O-CB 3.47Å; L10-C14 PolarHBondContact O-N 3.37Å
11L56Low51.6Low118 Ų118117.8 Ų117.862%0.61867%0.672SS**Hα-helixtrans-68.3-29.7172.9-72.4165.3000112.5L7 H8L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.49Å; L7-L11 VanDerWaalsContact O-CG 3.25Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 3.21Å; H8-L11 PolarHBondContact O-N 3.46Å
12F52.2Low51.6Low180 Ų180112 Ų11279%0.78965%0.645SS**Hα-helixtrans-75.3-31.6174.9-119.1-92.4000113.1H8 L9 L10H8-F12 PolarHBondContact O-N 2.93Å; L9-F12 PolarHBondContact O-N 2.96Å; L10-F12 VanDerWaalsContact C-N 3.31Å
13W47.9Very low52Low221 Ų221111.9 Ų111.984%0.83764%0.639SS**Hα-helixtrans-88.1-22.4177.3-76.75.7000113.9L9 L10 G15L9-W13 PolarHBondContact O-N 3.33Å; L10-W13 PolarHBondContact O-N 2.94Å; W13-G15 PolarHBondContact O-N 3.04Å
14C43.2Very low53Low106 Ų106109.9 Ų109.972%0.71662%0.623SS**THydrogen-bonded Turntrans-85.426.8164.2-92.80000112.7L10 C16L10-C14 WeakPolarHBondContact O-CB 3.47Å; L10-C14 PolarHBondContact O-N 3.37Å; C14-C16 PolarHBondContact O-N 3.42Å
15G43.1Very low54.3Low52 Ų52109.4 Ų109.454%0.53662%0.619SS.*  trans-63.591.1159.900000108W13W13-G15 PolarHBondContact O-N 3.04Å
16C35.2Very low55.3Low108 Ų108108.7 Ų108.773%0.7361%0.611SS**  trans-40.8129.5159.5-73.10000106.4C14 R18C14-C16 PolarHBondContact O-N 3.42Å; C16-R18 VanDerWaalsContact C-N 3.31Å; C16-R18 PolarHBondContact O-N 3.26Å
17P38.4Very low56.6Low122 Ų122107.8 Ų107.879%0.79260%0.6SS**  trans-51.4111.7169.520.9-29.3000104.4A19P17-A19 PolarHBondContact O-N 2.92Å
18R37.8Very low58.2Low242 Ų242103.9 Ų103.991%0.91358%0.578SS**  trans-64.692.3-178.5-157.5176.2-168.7161.61.8102C16 A20C16-R18 VanDerWaalsContact C-N 3.31Å; C16-R18 PolarHBondContact O-N 3.26Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.35Å
19A38.5Very low60Low89 Ų8998.4 Ų98.474%0.73655%0.553SS**  trans-46.4112172.100000103.2P17 A21P17-A19 PolarHBondContact O-N 2.92Å; A19-A21 PolarHBondContact O-N 3.38Å
20A38.9Very low61.7Low90 Ų9094.6 Ų94.674%0.74453%0.533SS*.  trans-50.7113.6-171.400000105R18 D22R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 3.35Å; A20-D22 VanDerWaalsContact C-N 3.33Å; A20-D22 WeakPolarHBondContact O-CA 3.4Å; A20-D22 PolarHBondContact O-N 3.16Å
21A40.6Very low63.6Low94 Ų9491.2 Ų91.278%0.77752%0.518SS*.  trans-53.6109.4178.100000104.8A19 S23A19-A21 PolarHBondContact O-N 3.38Å; A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 3.12Å
22D53.5Low65.3Low69 Ų6988.4 Ų88.437%0.36952%0.518SS..  trans-67.790-161.6-166.620.1000107.4A20 I24 R123A20-D22 VanDerWaalsContact C-N 3.33Å; A20-D22 WeakPolarHBondContact O-CA 3.4Å; A20-D22 PolarHBondContact O-N 3.16Å; D22-I24 PolarHBondContact O-N 2.87Å; D22-I24 VanDerWaalsContact O-N 3.14Å; D22-R123 IonicContact OD1-CZ 2.86Å; D22-R123 IonicContact OD1-NH1 3.8Å; D22-R123 PolarHBondContact OD1-NH1 3.17Å
23S69.7Low67.4Low77 Ų7785.1 Ų85.154%0.53851%0.505SS..PPolyproline II helixtrans-68.5116.1-175.654.90000107.3A21 Q25 R123A21-S23 VanDerWaalsContact C-N 3.27Å; A21-S23 PolarHBondContact O-N 3.12Å; S23-Q25 PolarHBondContact O-N 3.14Å; S23-Q25 VanDerWaalsContact O-N 3.09Å; S23-R123 PolarHBondContact O-NH1 2.74Å; S23-R123 PolarHBondContact O-NH2 2.81Å
24I85Confident69.6Low77 Ų7778.1 Ų78.140%0.39549%0.49SS..PPolyproline II helixtrans-56.7119174.7-60.4173.5000107.3D22 V124 D126D22-I24 PolarHBondContact O-N 2.87Å; D22-I24 VanDerWaalsContact O-N 3.14Å; I24-V124 HydrophobicContact CG1-CB 4.38Å; I24-V124 HydrophobicContact CG1-CG1 4.24Å; I24-V124 HydrophobicContact CG2-CG1 4.37Å; I24-D126 HydrophobicContact CG2-CB 4.04Å
25Q89.1Confident72.1Confident90 Ų9073.7 Ų73.742%0.42146%0.461SS..EExtended strand (participates in β ladder)trans-92.3135179.6-95.517121.900110.2S23 R123 V124 Y125 D126S23-Q25 PolarHBondContact O-N 3.14Å; S23-Q25 VanDerWaalsContact O-N 3.09Å; Q25-R123 VanDerWaalsContact CB-NH2 3.34Å; Q25-V124 PolarHBondContact N-O 2.81Å; Q25-Y125 HydrophobicContact CB-CD1 3.83Å; Q25-Y125 HydrophobicContact CB-CE1 4.01Å; Q25-Y125 CarbonylContact O-C 3.59Å; Q25-Y125 VanDerWaalsContact O-CA 3.25Å; Q25-Y125 WeakPolarHBondContact O-CA 3.18Å; Q25-D126 PolarHBondContact O-N 2.76Å
26I90.5Very high74.6Confident72 Ų7275.5 Ų75.537%0.36946%0.455SS..EExtended strand (participates in β ladder)trans-86.7127.7173.9-57.7172.7000108.5Y28 D126 Q210I26-Y28 HydrophobicContact CG2-CD2 4.37Å; I26-Y28 HydrophobicContact CG2-CE1 4.24Å; I26-Y28 HydrophobicContact CG2-CE2 3.88Å; I26-D126 VanDerWaalsContact CA-O 3.3Å; I26-D126 WeakPolarHBondContact CA-O 3.18Å; I26-D126 HydrophobicContact CG1-CB 4.37Å; I26-Q210 PolarHBondContact O-NE2 2.98Å
27I93.8Very high77.4Confident26 Ų2670.5 Ų70.513%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-113.6126.8173-69.7178.7000108.8L37 Y125 D126 V127 S128I27-L37 HydrophobicContact CB-CD2 4.23Å; I27-L37 HydrophobicContact CD1-CD2 3.47Å; I27-L37 VanDerWaalsContact CD1-CD2 3.47Å; I27-L37 HydrophobicContact CG1-CD2 4.42Å; I27-L37 HydrophobicContact CG2-CD2 3.95Å; I27-Y125 HydrophobicContact CD1-CD1 3.29Å; I27-Y125 HydrophobicContact CD1-CD2 4.48Å; I27-Y125 HydrophobicContact CD1-CE1 3.55Å; I27-Y125 HydrophobicContact CD1-CG 3.79Å; I27-Y125 HydrophobicContact CG1-CD1 3.86Å; I27-Y125 HydrophobicContact CG1-CE1 4.36Å; I27-D126 PolarHBondContact N-O 3.19Å; I27-V127 HydrophobicContact CB-CG2 4.46Å; I27-V127 WeakPolarHBondContact O-CA 3.42Å; I27-S128 PolarHBondContact O-N 2.87Å
28Y93.8Very high80Confident25 Ų2567.5 Ų67.510%0.09840%0.402CS..EExtended strand (participates in β ladder)trans-97.1106.8173.7-67.6-74.2000110.4I26 S128 L130 V152 L158 P209 Q210 K212I26-Y28 HydrophobicContact CG2-CD2 4.37Å; I26-Y28 HydrophobicContact CG2-CE1 4.24Å; I26-Y28 HydrophobicContact CG2-CE2 3.88Å; Y28-S128 WeakPolarHBondContact CA-O 3.28Å; Y28-L130 HydrophobicContact CD1-CD1 4.27Å; Y28-L130 HydrophobicContact CD1-CD2 3.64Å; Y28-L130 HydrophobicContact CD1-CG 3.99Å; Y28-L130 HydrophobicContact CE1-CD2 4.31Å; Y28-L130 HydrophobicContact CG-CD1 4.22Å; Y28-L130 HydrophobicContact CG-CD2 4.4Å; Y28-L130 HydrophobicContact CG-CG 4.36Å; Y28-V152 HydrophobicContact CD1-CG2 4.33Å; Y28-V152 HydrophobicContact CE1-CG2 4.15Å; Y28-L158 HydrophobicContact CE1-CD2 4.42Å; Y28-P209 HydrophobicContact CD2-CB 3.94Å; Y28-P209 HydrophobicContact CE2-CB 3.53Å; Y28-P209 HydrophobicContact CE2-CG 4.29Å; Y28-Q210 HydrophobicContact CD2-CB 4.44Å; Y28-Q210 HydrophobicContact CD2-CG 3.87Å; Y28-Q210 HydrophobicContact CE2-CG 4.41Å; Y28-K212 WeakPolarHBondContact O-CE 3.07Å
29A95.7Very high82.5Confident1 Ų156.3 Ų56.31%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-93.7130.8177.500000109.6A35 P100 V127 S128 V129 L130A29-A35 HydrophobicContact CB-CB 3.69Å; A29-P100 HydrophobicContact CB-CB 4.03Å; A29-P100 HydrophobicContact CB-CG 3.83Å; A29-V127 HydrophobicContact CB-CG1 4.24Å; A29-S128 PolarHBondContact N-O 3.21Å; A29-V129 CarbonylContact O-C 3.54Å; A29-V129 WeakPolarHBondContact O-CA 3.5Å; A29-L130 PolarHBondContact O-N 3.22Å
30I95.8Very high84.3Confident13 Ų1355.1 Ų55.17%0.06735%0.346CS..EExtended strand (participates in β ladder)trans-80.9129.8176.7-71.2172.5000108.4G32 E33 K212 F214I30-G32 PolarHBondContact O-N 3.18Å; I30-E33 HydrophobicContact CB-CB 4.01Å; I30-E33 HydrophobicContact CB-CG 4.22Å; I30-E33 WeakPolarHBondContact CD1-OE2 3.38Å; I30-E33 HydrophobicContact CG2-CB 3.99Å; I30-E33 HydrophobicContact CG2-CG 3.7Å; I30-E33 PolarHBondContact O-N 2.9Å; I30-E33 VanDerWaalsContact O-O 3.11Å; I30-K212 HydrophobicContact CD1-CB 4.1Å; I30-K212 HydrophobicContact CD1-CD 3.87Å; I30-K212 HydrophobicContact CD1-CG 4.44Å; I30-K212 HydrophobicContact CG1-CB 4.29Å; I30-K212 HydrophobicContact CG1-CD 4.18Å; I30-K212 HydrophobicContact CG1-CG 4.48Å; I30-F214 HydrophobicContact CB-CZ 4.35Å; I30-F214 HydrophobicContact CG1-CE2 4.43Å; I30-F214 HydrophobicContact CG1-CZ 4.15Å; I30-F214 HydrophobicContact CG2-CE1 3.82Å; I30-F214 HydrophobicContact CG2-CZ 3.69Å
31S96Very high85.7Confident43 Ų4354.3 Ų54.330%0.30134%0.335SS..THydrogen-bonded Turntrans-56.3124.6177.6-174.40000110.4E33 P100 L130 K131S31-E33 VanDerWaalsContact C-N 3.31Å; S31-E33 PolarHBondContact O-N 3.01Å; S31-P100 VanDerWaalsContact CA-O 3.31Å; S31-P100 WeakPolarHBondContact CA-O 3.42Å; S31-P100 PolarHBondContact OG-O 3.16Å; S31-L130 VanDerWaalsContact CB-O 3.28Å; S31-L130 WeakPolarHBondContact CB-O 3.42Å; S31-L130 PolarHBondContact N-O 2.8Å; S31-K131 WeakPolarHBondContact OG-CE 3.45Å
32G93.4Very high86.7Confident59 Ų5951.8 Ų51.861%0.60831%0.31SS*.THydrogen-bonded Turntrans83.4-10.6-178.100000116I30 P100I30-G32 PolarHBondContact O-N 3.18Å; G32-P100 PolarHBondContact N-O 3.48Å; G32-P100 VanDerWaalsContact N-O 3.14Å
33E94.7Very high86.9Confident111 Ų11155.4 Ų55.452%0.51934%0.338SS..SBendtrans-105.8134.6174.7-64.8-176.3-178.100111I30 S31 A35 P100I30-E33 HydrophobicContact CB-CB 4.01Å; I30-E33 HydrophobicContact CB-CG 4.22Å; I30-E33 WeakPolarHBondContact CD1-OE2 3.38Å; I30-E33 HydrophobicContact CG2-CB 3.99Å; I30-E33 HydrophobicContact CG2-CG 3.7Å; I30-E33 PolarHBondContact O-N 2.9Å; I30-E33 VanDerWaalsContact O-O 3.11Å; S31-E33 VanDerWaalsContact C-N 3.31Å; S31-E33 PolarHBondContact O-N 3.01Å; E33-A35 PolarHBondContact O-N 3.37Å; E33-P100 WeakPolarHBondContact O-CD 3.25Å; E33-P100 WeakPolarHBondContact O-CG 3.42Å
34S95.3Very high86.5Confident75 Ų7556 Ų5652%0.52434%0.341SS..  trans-59.5138.7-178.2-55.40000112.7L97S34-L97 CarbonylContact C-O 3.53Å; S34-L97 VanDerWaalsContact CA-O 3.26Å; S34-L97 WeakPolarHBondContact CA-O 3.47Å
35A95.2Very high85.5Confident13 Ų1354 Ų5411%0.10733%0.331CS..EExtended strand (participates in β ladder)trans-125.7137.4178.300000110.6A29 E33 L97 P100A29-A35 HydrophobicContact CB-CB 3.69Å; E33-A35 PolarHBondContact O-N 3.37Å; A35-L97 PolarHBondContact N-O 3.3Å; A35-L97 PolarHBondContact O-N 3Å; A35-P100 HydrophobicContact CB-CG 4.22Å
36E95.3Very high84.3Confident89 Ų8954.2 Ų54.242%0.41634%0.335SS..EExtended strand (participates in β ladder)trans-103.7132.2177-173.1-179158.800110.3L90 N92 S94 L95 L96E36-L90 HydrophobicContact CG-CD1 4.12Å; E36-N92 PolarHBondContact OE1-ND2 2.92Å; E36-S94 WeakPolarHBondContact OE1-CB 3.48Å; E36-S94 PolarHBondContact OE1-OG 3.03Å; E36-L95 CarbonylContact C-O 3.53Å; E36-L95 WeakPolarHBondContact CA-O 3.41Å; E36-L96 HydrophobicContact CB-CD1 4.5Å
37L95.2Very high83Confident4 Ų453 Ų532%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-105.8108.1170.2-49.3-178.9000108I27 C39 W53 S94 L95 Y108 Y125 V127I27-L37 HydrophobicContact CB-CD2 4.23Å; I27-L37 HydrophobicContact CD1-CD2 3.47Å; I27-L37 VanDerWaalsContact CD1-CD2 3.47Å; I27-L37 HydrophobicContact CG1-CD2 4.42Å; I27-L37 HydrophobicContact CG2-CD2 3.95Å; L37-C39 PolarHBondContact O-N 2.83Å; L37-W53 HydrophobicContact CB-CH2 3.65Å; L37-W53 HydrophobicContact CB-CZ2 4.33Å; L37-W53 HydrophobicContact CB-CZ3 4.16Å; L37-W53 HydrophobicContact CD1-CZ3 4.22Å; L37-W53 WeakPolarHBondContact O-CZ2 3.08Å; L37-S94 WeakPolarHBondContact O-CA 3.42Å; L37-S94 WeakPolarHBondContact O-CB 3.14Å; L37-L95 HydrophobicContact CB-CB 4.32Å; L37-L95 HydrophobicContact CD1-CD2 4.12Å; L37-L95 PolarHBondContact N-O 3.46Å; L37-L95 PolarHBondContact O-N 3.02Å; L37-Y108 HydrophobicContact CD1-CD1 3.76Å; L37-Y108 HydrophobicContact CD1-CD2 4.27Å; L37-Y108 HydrophobicContact CD1-CE1 4.4Å; L37-Y108 HydrophobicContact CD1-CG 3.67Å; L37-Y125 HydrophobicContact CB-CD2 4.16Å; L37-Y125 HydrophobicContact CB-CE2 4.25Å; L37-V127 HydrophobicContact CD1-CG2 3.97Å; L37-V127 HydrophobicContact CD2-CG2 3.63Å; L37-V127 HydrophobicContact CG-CG2 4.49Å
38P93.1Very high81.7Confident58 Ų5854.5 Ų54.538%0.37736%0.362SS..  trans-69.4134.8-175.813.1-14.1000111.7P40 S94 Y125P38-P40 WeakPolarHBondContact O-CD 3.13Å; P38-S94 WeakPolarHBondContact CA-OG 3.29Å; P38-Y125 WeakPolarHBondContact CD-OH 3.18Å; P38-Y125 VanDerWaalsContact CG-OH 3.24Å; P38-Y125 WeakPolarHBondContact CG-OH 3.5Å; P38-Y125 WeakPolarHBondContact O-CE2 3.35Å; P38-Y125 VanDerWaalsContact O-CZ 3.23Å; P38-Y125 PolarHBondContact O-OH 3.13Å
39C88.6Confident81Confident7 Ų754.5 Ų54.55%0.04736%0.363CS..  trans-103.6105.6165.3-1690000108.7L37 S41 W53 Y93 C110L37-C39 PolarHBondContact O-N 2.83Å; C39-S41 PolarHBondContact O-N 2.74Å; C39-S41 VanDerWaalsContact O-N 3.16Å; C39-W53 HydrophobicContact CB-CZ2 3.74Å; C39-Y93 WeakPolarHBondContact CB-O 3.43Å; C39-C110 HydrophobicContact CB-CB 3.83Å; C39-C110 WeakPolarHBondContact CB-SG 3.28Å; C39-C110 WeakPolarHBondContact SG-CB 3.33Å; C39-C110 CovalentContact SG-SG 2.06Å; C39-C110 PolarHBondContact SG-SG 2.85Å
40P77.9Confident80.3Confident65 Ų6555.3 Ų55.342%0.42237%0.367SS..PPolyproline II helixtrans-65.6117.3175.927-31.7000108.8P38 R123P38-P40 WeakPolarHBondContact O-CD 3.13Å; P40-R123 HydrophobicContact CG-CB 4.05Å; P40-R123 HydrophobicContact CG-CG 4.26Å
41S67.2Low79.9Confident73 Ų7354.7 Ų54.751%0.5136%0.364SS..PPolyproline II helixtrans-71.6139.317350.20000110.3C39C39-S41 PolarHBondContact O-N 2.74Å; C39-S41 VanDerWaalsContact O-N 3.16Å
42P61.1Low79.5Confident40 Ų4052.7 Ų52.726%0.2635%0.35SS..PPolyproline II helixtrans-68.3156.2167.133.8-37.8000108S44 L45 W122P42-S44 PolarHBondContact O-N 2.83Å; P42-L45 HydrophobicContact CG-CD2 4.5Å; P42-L45 HydrophobicContact CG-CG 3.95Å; P42-W122 HydrophobicContact CB-CZ2 4.3Å; P42-W122 HydrophobicContact CG-CD2 4.5Å; P42-W122 HydrophobicContact CG-CH2 3.37Å; P42-W122 HydrophobicContact CG-CZ2 3.19Å; P42-W122 HydrophobicContact CG-CZ3 4.11Å
43P59.5Low79.5Confident146 Ų14649.9 Ų49.995%0.94832%0.321SS*.THydrogen-bonded Turntrans-58.4-16.9-178.7-23.833000114.9
44S59.5Low79.3Confident88 Ų8846.4 Ų46.462%0.61531%0.305SS*.THydrogen-bonded Turntrans-137.660.7-173.562.50000111.7P42 L46P42-S44 PolarHBondContact O-N 2.83Å; S44-L46 PolarHBondContact O-N 2.67Å
45L64.2Low79.3Confident36 Ų3643.6 Ų43.619%0.18828%0.282CS..PPolyproline II helixtrans-62.6118.4160.6-95.6171.2000108.4P42 Q49 V71 Y93 V112 W122P42-L45 HydrophobicContact CG-CD2 4.5Å; P42-L45 HydrophobicContact CG-CG 3.95Å; L45-Q49 VanDerWaalsContact CD2-OE1 3.23Å; L45-V71 HydrophobicContact CB-CG1 4.18Å; L45-V71 HydrophobicContact CD1-CG1 4.31Å; L45-V71 HydrophobicContact CD2-CG1 4.22Å; L45-V71 HydrophobicContact CD2-CG2 3.94Å; L45-V71 HydrophobicContact CG-CG1 4.47Å; L45-Y93 HydrophobicContact CD1-CD2 4.1Å; L45-Y93 HydrophobicContact CD1-CE2 3.65Å; L45-V112 HydrophobicContact CD2-CG1 4.17Å; L45-V112 HydrophobicContact CD2-CG2 4.38Å; L45-W122 HydrophobicContact CD1-CH2 3.9Å; L45-W122 HydrophobicContact CD1-CZ3 4.24Å; L45-W122 HydrophobicContact CD2-CH2 3.48Å; L45-W122 VanDerWaalsContact CD2-CH2 3.48Å; L45-W122 HydrophobicContact CD2-CZ2 4.12Å; L45-W122 HydrophobicContact CG-CH2 3.71Å
46L65.5Low79.2Confident94 Ų9444.8 Ų44.849%0.49229%0.29SS..PPolyproline II helixtrans-90.9136.6175.2-60170000108.6S44 Q49S44-L46 PolarHBondContact O-N 2.67Å; L46-Q49 WeakPolarHBondContact O-CB 3Å; L46-Q49 VanDerWaalsContact O-CG 3.24Å; L46-Q49 WeakPolarHBondContact O-CG 3.44Å; L46-Q49 PolarHBondContact O-N 2.73Å
47G62.9Low79.1Confident46 Ų4641.3 Ų41.347%0.47428%0.275SS..THydrogen-bonded Turntrans-56141.9179.800000113.4Q49 D72G47-Q49 VanDerWaalsContact C-N 3.35Å; G47-D72 WeakPolarHBondContact CA-OD2 3.44Å; G47-D72 PolarHBondContact N-OD2 2.97Å
48G66Low78.8Confident59 Ų5943.9 Ų43.961%0.60830%0.297SS*.THydrogen-bonded Turntrans85.9-1.8-176.300000115.2V71G48-V71 PolarHBondContact N-O 3.2Å
49Q78.3Confident78.3Confident24 Ų2444.8 Ų44.811%0.11232%0.317CS..  trans-66.7153.1166.9-73.3177.313.400111.1L45 L46 G47 V71 V112L45-Q49 VanDerWaalsContact CD2-OE1 3.23Å; L46-Q49 WeakPolarHBondContact O-CB 3Å; L46-Q49 VanDerWaalsContact O-CG 3.24Å; L46-Q49 WeakPolarHBondContact O-CG 3.44Å; L46-Q49 PolarHBondContact O-N 2.73Å; G47-Q49 VanDerWaalsContact C-N 3.35Å; Q49-V71 HydrophobicContact CB-CG2 4.25Å; Q49-V71 WeakPolarHBondContact O-CB 3.35Å; Q49-V71 WeakPolarHBondContact O-CG2 3.4Å; Q49-V71 PolarHBondContact O-N 3.49Å; Q49-V112 HydrophobicContact CB-CG1 3.81Å; Q49-V112 HydrophobicContact CG-CG1 4.33Å; Q49-V112 VanDerWaalsContact OE1-CG1 3.3Å
50L81.8Confident77.8Confident18 Ų1847.9 Ų47.99%0.09435%0.35CS..EExtended strand (participates in β ladder)trans-107.4119.8-179-174.682.7000109.8Q68 I69 Q70 L78 V112 M113L50-Q68 HydrophobicContact CD1-CG 3.56Å; L50-Q68 VanDerWaalsContact CD1-NE2 3.3Å; L50-Q68 HydrophobicContact CD2-CG 3.84Å; L50-Q68 HydrophobicContact CG-CG 3.79Å; L50-I69 WeakPolarHBondContact CD1-O 3.37Å; L50-Q70 HydrophobicContact CD1-CG 4.06Å; L50-L78 HydrophobicContact CD1-CD2 3.83Å; L50-V112 WeakPolarHBondContact O-CA 3.45Å; L50-M113 HydrophobicContact CB-CB 4.33Å; L50-M113 HydrophobicContact CB-CE 4.19Å; L50-M113 HydrophobicContact CD2-CE 3.86Å; L50-M113 PolarHBondContact O-N 2.95Å
51L86.7Confident78.1Confident1 Ų148.2 Ų48.21%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-98.2128.6173.6-176.3147.1000109.9Q68 I69 V71 Y93 T111 V112 W122L51-Q68 CarbonylContact O-C 3.45Å; L51-Q68 WeakPolarHBondContact O-CA 3.49Å; L51-I69 HydrophobicContact CB-CG1 4.07Å; L51-I69 HydrophobicContact CD2-CD1 4.29Å; L51-I69 HydrophobicContact CD2-CG1 4.08Å; L51-I69 PolarHBondContact N-O 2.06Å; L51-I69 PolarHBondContact O-N 2.87Å; L51-V71 HydrophobicContact CB-CG2 4.29Å; L51-Y93 HydrophobicContact CD1-CD2 4.39Å; L51-Y93 HydrophobicContact CD1-CG 3.94Å; L51-T111 WeakPolarHBondContact CA-O 3.28Å; L51-V112 HydrophobicContact CB-CG2 3.94Å; L51-V112 HydrophobicContact CD1-CG2 3.87Å; L51-V112 HydrophobicContact CG-CG2 3.98Å; L51-W122 HydrophobicContact CD1-CZ3 4.25Å
52S88.4Confident79Confident1 Ų149.6 Ų49.61%0.00736%0.364CS..EExtended strand (participates in β ladder)trans-127.6137.7-178.9-62.80000110.9A67 T111S52-A67 CarbonylContact C-O 3.49Å; S52-A67 WeakPolarHBondContact CA-O 3.32Å; S52-T111 PolarHBondContact N-O 2.8Å; S52-T111 PolarHBondContact O-N 2.85Å
53W92.4Very high80.5Confident0 Ų051.4 Ų51.40%037%0.374CS..EExtended strand (participates in β ladder)trans-104131.1169.9-86.199.2000109.7L37 C39 V66 A67 Y93 L95 W109 C110 Y125L37-W53 HydrophobicContact CB-CH2 3.65Å; L37-W53 HydrophobicContact CB-CZ2 4.33Å; L37-W53 HydrophobicContact CB-CZ3 4.16Å; L37-W53 HydrophobicContact CD1-CZ3 4.22Å; L37-W53 WeakPolarHBondContact O-CZ2 3.08Å; C39-W53 HydrophobicContact CB-CZ2 3.74Å; W53-V66 HydrophobicContact CB-CB 4.22Å; W53-V66 PolarHBondContact O-N 3.05Å; W53-A67 HydrophobicContact CB-CB 4.33Å; W53-A67 PolarHBondContact N-O 3.17Å; W53-A67 PolarHBondContact O-N 2.76Å; W53-Y93 PolarHBondContact NE1-O 2.96Å; W53-L95 HydrophobicContact CB-CD2 4.41Å; W53-L95 HydrophobicContact CD2-CB 3.78Å; W53-L95 HydrophobicContact CD2-CD2 4.08Å; W53-L95 HydrophobicContact CD2-CG 4.44Å; W53-L95 HydrophobicContact CE3-CB 4.27Å; W53-L95 HydrophobicContact CE3-CD2 4.09Å; W53-L95 HydrophobicContact CG-CB 4.15Å; W53-L95 HydrophobicContact CG-CD1 4.39Å; W53-L95 HydrophobicContact CG-CD2 4.25Å; W53-L95 HydrophobicContact CH2-CB 4.25Å; W53-L95 HydrophobicContact CZ2-CB 3.76Å; W53-L95 HydrophobicContact CZ3-CB 4.5Å; W53-W109 VanDerWaalsContact CE3-C 3.46Å; W53-C110 HydrophobicContact CD2-CB 3.78Å; W53-C110 HydrophobicContact CE3-CB 4.02Å; W53-C110 HydrophobicContact CG-CB 4.45Å; W53-C110 HydrophobicContact CH2-CB 3.94Å; W53-C110 HydrophobicContact CZ2-CB 3.69Å; W53-C110 HydrophobicContact CZ3-CB 4.09Å; W53-Y125 HydrophobicContact CH2-CD2 4.11Å; W53-Y125 AromaticContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CZ3-CD2 4.23Å; W53-Y125 HydrophobicContact CZ3-CE2 4.49Å
54F92.2Very high81.9Confident38 Ų3847.3 Ų47.317%0.16734%0.343CS..EExtended strand (participates in β ladder)trans-122.4155.1177.2-68.2-84000111T63 I64 L65 Y108 W109 T111F54-T63 HydrophobicContact CB-CG2 3.96Å; F54-T63 HydrophobicContact CD1-CG2 3.83Å; F54-T63 HydrophobicContact CG-CG2 4.26Å; F54-I64 CarbonylContact C-O 3.59Å; F54-I64 VanDerWaalsContact CA-O 3.28Å; F54-I64 WeakPolarHBondContact CA-O 3.37Å; F54-L65 HydrophobicContact CD1-CB 4.14Å; F54-L65 HydrophobicContact CD1-CD1 4.01Å; F54-L65 HydrophobicContact CE1-CB 3.9Å; F54-L65 HydrophobicContact CE1-CD1 3.56Å; F54-L65 HydrophobicContact CE1-CG 4.29Å; F54-L65 HydrophobicContact CE2-CD1 4.19Å; F54-L65 HydrophobicContact CZ-CD1 3.66Å; F54-Y108 VanDerWaalsContact O-CA 3.29Å; F54-Y108 WeakPolarHBondContact O-CA 3.32Å; F54-W109 HydrophobicContact CB-CD2 3.85Å; F54-W109 HydrophobicContact CB-CE3 4.43Å; F54-W109 HydrophobicContact CB-CG 4.33Å; F54-W109 HydrophobicContact CB-CH2 4.14Å; F54-W109 HydrophobicContact CB-CZ2 3.5Å; F54-W109 VanDerWaalsContact CB-CZ2 3.5Å; F54-W109 AromaticContact CD2-NE1 3.63Å; F54-W109 HydrophobicContact CG-CZ2 4.22Å; F54-W109 AromaticContact CG-NE1 3.79Å; F54-W109 PolarHBondContact N-O 3.27Å; F54-W109 PolarHBondContact O-N 3.24Å; F54-T111 HydrophobicContact CD2-CG2 3.69Å; F54-T111 HydrophobicContact CE2-CG2 3.39Å
55R93.7Very high83.4Confident15 Ų1545.3 Ų45.36%0.05733%0.325CS..EExtended strand (participates in β ladder)trans-135.5132.9177173.4-170.3167.7-165.9-13.2110.4T63 I64 V66 E103 D104 R107 Y108R55-T63 CarbonylContact O-C 3.56Å; R55-T63 WeakPolarHBondContact O-CA 3.25Å; R55-I64 PolarHBondContact N-O 3Å; R55-I64 PolarHBondContact O-N 3.46Å; R55-V66 HydrophobicContact CB-CG2 3.49Å; R55-V66 VanDerWaalsContact CB-CG2 3.49Å; R55-E103 PolarHBondContact NH2-O 3.14Å; R55-D104 IonicContact CZ-OD1 3.45Å; R55-D104 IonicContact NH1-OD1 2.73Å; R55-D104 PolarHBondContact NH1-OD1 2.78Å; R55-D104 VanDerWaalsContact NH2-CA 3.32Å; R55-D104 IonicContact NH2-OD1 2.72Å; R55-R107 CarbonylContact C-O 3.51Å; R55-R107 VanDerWaalsContact CA-O 3.28Å; R55-R107 WeakPolarHBondContact CA-O 3.37Å; R55-Y108 HydrophobicContact CB-CD1 3.91Å; R55-Y108 HydrophobicContact CB-CE1 3.74Å; R55-Y108 HydrophobicContact CB-CG 4.47Å; R55-Y108 VanDerWaalsContact CD-CZ 3.47Å; R55-Y108 VanDerWaalsContact CD-OH 3.23Å; R55-Y108 WeakPolarHBondContact CD-OH 3.23Å; R55-Y108 HydrophobicContact CG-CD1 4.21Å; R55-Y108 HydrophobicContact CG-CD2 4.43Å; R55-Y108 HydrophobicContact CG-CE1 3.72Å; R55-Y108 HydrophobicContact CG-CE2 3.96Å; R55-Y108 PolarHBondContact NE-OH 2.86Å
56S93.9Very high84.6Confident39 Ų3943.8 Ų43.827%0.27332%0.318SS..EExtended strand (participates in β ladder)trans-108.2112.6163.5177.50000108.4G106 R107S56-G106 CarbonylContact O-C 3.53Å; S56-G106 VanDerWaalsContact O-CA 3.28Å; S56-G106 WeakPolarHBondContact O-CA 3.29Å; S56-R107 PolarHBondContact N-O 2.99Å; S56-R107 PolarHBondContact O-N 2.83Å
57P93.2Very high85.7Confident16 Ų1639.9 Ų39.910%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-61.6145.6178.9-24.335.8000112.1G59 G60 I64P57-G59 PolarHBondContact O-N 2.82Å; P57-G59 VanDerWaalsContact O-N 3.14Å; P57-G60 PolarHBondContact O-N 3.28Å; P57-I64 HydrophobicContact CG-CD1 3.99Å
58A89.8Confident86.8Confident57 Ų5740.4 Ų40.447%0.47129%0.289SS..THydrogen-bonded Turntrans-61.1-24.4178.500000113.5G60 A105 P154A58-G60 PolarHBondContact O-N 3.02Å; A58-A105 PolarHBondContact N-O 3.39Å; A58-P154 HydrophobicContact CB-CB 4.05Å; A58-P154 HydrophobicContact CB-CG 3.94Å
59G82.3Confident87.6Confident77 Ų7738.4 Ų38.479%0.79426%0.264SS*.THydrogen-bonded Turntrans-74.48.2178.400000115.8P57P57-G59 PolarHBondContact O-N 2.82Å; P57-G59 VanDerWaalsContact O-N 3.14Å
60G77.5Confident87.7Confident72 Ų7240 Ų4074%0.74227%0.272SS*.SBendtrans79.916.5175.400000115.2P57 A58P57-G60 PolarHBondContact O-N 3.28Å; A58-G60 PolarHBondContact O-N 3.02Å
61S83.3Confident87.4Confident73 Ų7339.2 Ų39.251%0.5127%0.268SS..PPolyproline II helixtrans-75.2164.2174.7-49.60000112.4
62S87.6Confident86.6Confident102 Ų10244.6 Ų44.671%0.71330%0.297SS*.PPolyproline II helixtrans-55.9150.3174.8-58.80000112.6
63T91.1Very high85.5Confident77 Ų7751.8 Ų51.847%0.47232%0.324SS..PPolyproline II helixtrans-59.8134.4172.4-60.60000111.2F54 R55 W109F54-T63 HydrophobicContact CB-CG2 3.96Å; F54-T63 HydrophobicContact CD1-CG2 3.83Å; F54-T63 HydrophobicContact CG-CG2 4.26Å; R55-T63 CarbonylContact O-C 3.56Å; R55-T63 WeakPolarHBondContact O-CA 3.25Å; T63-W109 HydrophobicContact CG2-CH2 3.48Å; T63-W109 VanDerWaalsContact CG2-CH2 3.48Å; T63-W109 HydrophobicContact CG2-CZ2 3.45Å; T63-W109 VanDerWaalsContact CG2-CZ2 3.45Å
64I90Very high83.8Confident60 Ų6056.4 Ų56.431%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-110.8135.3-179.1-54.1173.2000108.4F54 R55 P57 V66F54-I64 CarbonylContact C-O 3.59Å; F54-I64 VanDerWaalsContact CA-O 3.28Å; F54-I64 WeakPolarHBondContact CA-O 3.37Å; R55-I64 PolarHBondContact N-O 3Å; R55-I64 PolarHBondContact O-N 3.46Å; P57-I64 HydrophobicContact CG-CD1 3.99Å; I64-V66 PolarHBondContact O-N 3.02Å
65L90.2Very high82.3Confident46 Ų4658.7 Ų58.724%0.24137%0.37CS..EExtended strand (participates in β ladder)trans-81.5109.8168.1176.367.9000108.5F54 Q68 P81F54-L65 HydrophobicContact CD1-CB 4.14Å; F54-L65 HydrophobicContact CD1-CD1 4.01Å; F54-L65 HydrophobicContact CE1-CB 3.9Å; F54-L65 HydrophobicContact CE1-CD1 3.56Å; F54-L65 HydrophobicContact CE1-CG 4.29Å; F54-L65 HydrophobicContact CE2-CD1 4.19Å; F54-L65 HydrophobicContact CZ-CD1 3.66Å; L65-Q68 HydrophobicContact CD1-CB 4.37Å; L65-Q68 HydrophobicContact CD2-CB 4.4Å; L65-P81 HydrophobicContact CB-CB 4.31Å; L65-P81 HydrophobicContact CD2-CB 3.41Å; L65-P81 VanDerWaalsContact CD2-CB 3.41Å; L65-P81 HydrophobicContact CD2-CG 3.96Å; L65-P81 HydrophobicContact CG-CB 3.62Å; L65-P81 HydrophobicContact CG-CG 3.82Å
66V90.4Very high80.3Confident4 Ų462.9 Ų62.92%0.02440%0.402CS..EExtended strand (participates in β ladder)trans-82.4-48.1-173.7178.30000111.3W53 R55 I64 E82 F87 L95 Y108W53-V66 HydrophobicContact CB-CB 4.22Å; W53-V66 PolarHBondContact O-N 3.05Å; R55-V66 HydrophobicContact CB-CG2 3.49Å; R55-V66 VanDerWaalsContact CB-CG2 3.49Å; I64-V66 PolarHBondContact O-N 3.02Å; V66-E82 WeakPolarHBondContact CA-OE2 3.47Å; V66-F87 HydrophobicContact CG1-CB 3.62Å; V66-F87 HydrophobicContact CG1-CD1 3.44Å; V66-F87 VanDerWaalsContact CG1-CD1 3.44Å; V66-F87 HydrophobicContact CG1-CD2 3.9Å; V66-F87 HydrophobicContact CG1-CE1 4.02Å; V66-F87 HydrophobicContact CG1-CE2 4.46Å; V66-F87 HydrophobicContact CG1-CG 3.37Å; V66-L95 HydrophobicContact CG1-CD1 4.12Å; V66-L95 HydrophobicContact CG1-CD2 3.99Å; V66-Y108 HydrophobicContact CG2-CE1 4.47Å
67A88Confident78Confident12 Ų1266.4 Ų66.410%0.09942%0.418CS..EExtended strand (participates in β ladder)trans-151.6152.3-179.100000110.4S52 W53 V89 L95S52-A67 CarbonylContact C-O 3.49Å; S52-A67 WeakPolarHBondContact CA-O 3.32Å; W53-A67 HydrophobicContact CB-CB 4.33Å; W53-A67 PolarHBondContact N-O 3.17Å; W53-A67 PolarHBondContact O-N 2.76Å; A67-V89 HydrophobicContact CB-CG2 3.32Å; A67-L95 HydrophobicContact CB-CD1 4.43Å
68Q86.3Confident76Confident57 Ų5768.7 Ų68.727%0.26643%0.429SS..EExtended strand (participates in β ladder)trans-148.2127.2179.7177.7177.9-21.400108.8L50 L51 L65 L78 P81L50-Q68 HydrophobicContact CD1-CG 3.56Å; L50-Q68 VanDerWaalsContact CD1-NE2 3.3Å; L50-Q68 HydrophobicContact CD2-CG 3.84Å; L50-Q68 HydrophobicContact CG-CG 3.79Å; L51-Q68 CarbonylContact O-C 3.45Å; L51-Q68 WeakPolarHBondContact O-CA 3.49Å; L65-Q68 HydrophobicContact CD1-CB 4.37Å; L65-Q68 HydrophobicContact CD2-CB 4.4Å; Q68-L78 HydrophobicContact CG-CD2 4.01Å; Q68-P81 HydrophobicContact CB-CG 4.16Å
69I81.8Confident74.1Confident17 Ų1769.3 Ų69.39%0.08744%0.441CS..EExtended strand (participates in β ladder)trans-137.1152.4-178.257.3161.6000110.6L50 L51 V89 Y93L50-I69 WeakPolarHBondContact CD1-O 3.37Å; L51-I69 HydrophobicContact CB-CG1 4.07Å; L51-I69 HydrophobicContact CD2-CD1 4.29Å; L51-I69 HydrophobicContact CD2-CG1 4.08Å; L51-I69 PolarHBondContact N-O 2.06Å; L51-I69 PolarHBondContact O-N 2.87Å; I69-V89 HydrophobicContact CD1-CG1 3.65Å; I69-V89 HydrophobicContact CG1-CG1 4.4Å; I69-V89 HydrophobicContact CG2-CB 4.47Å; I69-Y93 HydrophobicContact CD1-CD1 3.48Å; I69-Y93 VanDerWaalsContact CD1-CD1 3.48Å; I69-Y93 HydrophobicContact CD1-CE1 3.99Å
70Q80.4Confident72.9Confident57 Ų5770.8 Ų70.827%0.26643%0.425SS..EExtended strand (participates in β ladder)trans-87.5128.9167.5-74.9-178.3300109.5L50 R73 L78L50-Q70 HydrophobicContact CD1-CG 4.06Å; Q70-R73 HydrophobicContact CB-CB 4.25Å; Q70-R73 HydrophobicContact CB-CG 4.36Å; Q70-R73 PolarHBondContact O-N 2.87Å; Q70-L78 HydrophobicContact CB-CD1 4.46Å; Q70-L78 HydrophobicContact CG-CD1 3.7Å; Q70-L78 HydrophobicContact CG-CD2 4.3Å
71V75.8Confident72Confident2 Ų270 Ų701%0.01241%0.407CS..THydrogen-bonded Turntrans-62.4138.2173.3179.90000108.5L45 G48 Q49 L51 R73L45-V71 HydrophobicContact CB-CG1 4.18Å; L45-V71 HydrophobicContact CD1-CG1 4.31Å; L45-V71 HydrophobicContact CD2-CG1 4.22Å; L45-V71 HydrophobicContact CD2-CG2 3.94Å; L45-V71 HydrophobicContact CG-CG1 4.47Å; G48-V71 PolarHBondContact N-O 3.2Å; Q49-V71 HydrophobicContact CB-CG2 4.25Å; Q49-V71 WeakPolarHBondContact O-CB 3.35Å; Q49-V71 WeakPolarHBondContact O-CG2 3.4Å; Q49-V71 PolarHBondContact O-N 3.49Å; L51-V71 HydrophobicContact CB-CG2 4.29Å; V71-R73 VanDerWaalsContact C-N 3.26Å; V71-R73 PolarHBondContact O-N 2.91Å
72D70.5Confident71.1Confident115 Ų11568 Ų6862%0.61539%0.39SS*.THydrogen-bonded Turntrans67.79.5-176.9-52.8-31.5000116.8G47G47-D72 WeakPolarHBondContact CA-OD2 3.44Å; G47-D72 PolarHBondContact N-OD2 2.97Å
73R65Low70.1Confident152 Ų15270.1 Ų70.157%0.57439%0.393SS*.SBendtrans-105.9144.3164-72.5-164.6-178.5-173.9-2.1111.2Q70 V71 V75Q70-R73 HydrophobicContact CB-CB 4.25Å; Q70-R73 HydrophobicContact CB-CG 4.36Å; Q70-R73 PolarHBondContact O-N 2.87Å; V71-R73 VanDerWaalsContact C-N 3.26Å; V71-R73 PolarHBondContact O-N 2.91Å; R73-V75 PolarHBondContact O-N 2.91Å
74P57.9Low69.4Low96 Ų9668.5 Ų68.562%0.62338%0.382SS*.  trans-57.9140.817123.4-30.3000109.7S76 D77P74-S76 PolarHBondContact O-N 2.88Å; P74-D77 PolarHBondContact O-N 2.7Å
75V59.1Low69Low86 Ų8669.5 Ų69.552%0.52139%0.393SS..THydrogen-bonded Turntrans-56.5-3.3-174.1-1790000113.8R73R73-V75 PolarHBondContact O-N 2.91Å
76S52.9Low69Low103 Ų10368.6 Ų68.672%0.7239%0.387SS*.THydrogen-bonded Turntrans-79.6-14.8-175.4-54.50000115.4P74P74-S76 PolarHBondContact O-N 2.88Å
77D45.7Very low69.1Low114 Ų11469 Ų6961%0.6139%0.389SS*.SBendtrans-128.178.8-175.6-74.4-31.1000112P74P74-D77 PolarHBondContact O-N 2.7Å
78L51.4Low69.2Low64 Ų6472.9 Ų72.934%0.33540%0.403SS..SBendtrans-165.3133.8150.3-124.985.7000109.5L50 Q68 Q70 K80L50-L78 HydrophobicContact CD1-CD2 3.83Å; Q68-L78 HydrophobicContact CG-CD2 4.01Å; Q70-L78 HydrophobicContact CB-CD1 4.46Å; Q70-L78 HydrophobicContact CG-CD1 3.7Å; Q70-L78 HydrophobicContact CG-CD2 4.3Å; L78-K80 PolarHBondContact O-N 2.86Å
79G49.8Very low69.3Low70 Ų7071 Ų7172%0.72240%0.396SS*.  trans-50.5126.2-174.100000112.7P81G79-P81 WeakPolarHBondContact O-CD 3.24Å
80K56.7Low69.6Low107 Ų10772.7 Ų72.747%0.46540%0.404SS..  trans-63.1110.3-176.8-156.9-172.1176.9-166.90109.7L78 E82 N83 D84 S85L78-K80 PolarHBondContact O-N 2.86Å; K80-E82 WeakPolarHBondContact CD-O 3.36Å; K80-E82 WeakPolarHBondContact CE-O 3.19Å; K80-E82 VanDerWaalsContact CG-O 3.29Å; K80-E82 WeakPolarHBondContact CG-O 3.45Å; K80-N83 PolarHBondContact NZ-O 3.29Å; K80-D84 WeakPolarHBondContact CE-O 3.24Å; K80-D84 VanDerWaalsContact NZ-C 3.3Å; K80-D84 PolarHBondContact NZ-O 2.83Å; K80-S85 VanDerWaalsContact NZ-N 3.15Å
81P58.4Low69.7Low55 Ų5573.3 Ų73.336%0.35743%0.426SS..SBendtrans-76.8-26.1-17328.2-30.7000112.8L65 Q68 G79L65-P81 HydrophobicContact CB-CB 4.31Å; L65-P81 HydrophobicContact CD2-CB 3.41Å; L65-P81 VanDerWaalsContact CD2-CB 3.41Å; L65-P81 HydrophobicContact CD2-CG 3.96Å; L65-P81 HydrophobicContact CG-CB 3.62Å; L65-P81 HydrophobicContact CG-CG 3.82Å; Q68-P81 HydrophobicContact CB-CG 4.16Å; G79-P81 WeakPolarHBondContact O-CD 3.24Å
82E64.9Low70.1Confident32 Ų3277.1 Ų77.115%0.1545%0.447CS..SBendtrans-115.9123.5169-168.6169.5-178.400109.5V66 K80 D84V66-E82 WeakPolarHBondContact CA-OE2 3.47Å; K80-E82 WeakPolarHBondContact CD-O 3.36Å; K80-E82 WeakPolarHBondContact CE-O 3.19Å; K80-E82 VanDerWaalsContact CG-O 3.29Å; K80-E82 WeakPolarHBondContact CG-O 3.45Å; E82-D84 HydrophobicContact CG-CB 4.02Å; E82-D84 PolarHBondContact O-N 2.75Å
83N65.1Low70.9Confident147 Ų14773.8 Ų73.879%0.78643%0.426SS*.  trans-67.9-7.8-177.8-164.117.8000112.9K80 S85K80-N83 PolarHBondContact NZ-O 3.29Å; N83-S85 PolarHBondContact O-N 2.79Å; N83-S85 VanDerWaalsContact O-N 3.16Å
84D77.8Confident72.2Confident43 Ų4366.7 Ų66.723%0.2340%0.399CS..  trans-68113.2177.8-165.2-22000110.9K80 E82 R86 F87K80-D84 WeakPolarHBondContact CE-O 3.24Å; K80-D84 VanDerWaalsContact NZ-C 3.3Å; K80-D84 PolarHBondContact NZ-O 2.83Å; E82-D84 HydrophobicContact CG-CB 4.02Å; E82-D84 PolarHBondContact O-N 2.75Å; D84-R86 PolarHBondContact O-N 2.72Å; D84-R86 WeakPolarHBondContact OD1-CB 3.26Å; D84-R86 WeakPolarHBondContact OD1-CG 3.14Å; D84-R86 IonicContact OD1-CZ 3.85Å; D84-R86 PolarHBondContact OD1-N 2.83Å; D84-R86 IonicContact OD1-NE 2.68Å; D84-R86 PolarHBondContact OD1-NE 3.45Å; D84-R86 IonicContact OD2-CZ 3.93Å; D84-R86 IonicContact OD2-NE 3.05Å; D84-R86 PolarHBondContact OD2-NE 2.55Å; D84-R86 IonicContact OD2-NH2 3.18Å; D84-R86 PolarHBondContact OD2-NH2 3.45Å; D84-F87 HydrophobicContact CB-CD2 3.91Å; D84-F87 HydrophobicContact CB-CE2 4.14Å
85S81.5Confident73.9Confident80 Ų8062.1 Ų62.156%0.55937%0.37SS*.THydrogen-bonded Turntrans-71-8.4-179.851.30000114.3K80 N83 F87 K88K80-S85 VanDerWaalsContact NZ-N 3.15Å; N83-S85 PolarHBondContact O-N 2.79Å; N83-S85 VanDerWaalsContact O-N 3.16Å; S85-F87 VanDerWaalsContact C-N 3.34Å; S85-K88 WeakPolarHBondContact O-CE 3.27Å
86R90.6Very high75.6Confident28 Ų2859.7 Ų59.711%0.10635%0.353CS..THydrogen-bonded Turntrans-75.4-23.7179.1-62.4179.2-52.1117.6-0.2113.2D84 L97 E98 G99 D104D84-R86 PolarHBondContact O-N 2.72Å; D84-R86 WeakPolarHBondContact OD1-CB 3.26Å; D84-R86 WeakPolarHBondContact OD1-CG 3.14Å; D84-R86 IonicContact OD1-CZ 3.85Å; D84-R86 PolarHBondContact OD1-N 2.83Å; D84-R86 IonicContact OD1-NE 2.68Å; D84-R86 PolarHBondContact OD1-NE 3.45Å; D84-R86 IonicContact OD2-CZ 3.93Å; D84-R86 IonicContact OD2-NE 3.05Å; D84-R86 PolarHBondContact OD2-NE 2.55Å; D84-R86 IonicContact OD2-NH2 3.18Å; D84-R86 PolarHBondContact OD2-NH2 3.45Å; R86-L97 HydrophobicContact CB-CD1 4.42Å; R86-E98 HydrophobicContact CB-CB 4.26Å; R86-E98 WeakPolarHBondContact CB-O 3.45Å; R86-E98 WeakPolarHBondContact CD-O 3.3Å; R86-E98 PolarHBondContact O-N 2.81Å; R86-G99 PolarHBondContact NH1-O 3.29Å; R86-G99 VanDerWaalsContact NH1-O 3.13Å; R86-D104 IonicContact CZ-OD1 3.96Å; R86-D104 IonicContact CZ-OD2 3.65Å; R86-D104 IonicContact NH1-OD1 2.69Å; R86-D104 IonicContact NH1-OD2 2.83Å; R86-D104 PolarHBondContact NH1-OD2 3.08Å; R86-D104 IonicContact NH2-OD1 2.88Å; R86-D104 PolarHBondContact NH2-OD1 3.1Å; R86-D104 IonicContact NH2-OD2 3.72Å; R86-D104 PolarHBondContact NH2-OD2 3.32Å
87F90.9Very high77.6Confident13 Ų1354.9 Ų54.96%0.05732%0.32CS..EExtended strand (participates in β ladder)trans-87.1120.2174.3-63.6-74.7000110V66 D84 S85 L95 L97 Y108V66-F87 HydrophobicContact CG1-CB 3.62Å; V66-F87 HydrophobicContact CG1-CD1 3.44Å; V66-F87 VanDerWaalsContact CG1-CD1 3.44Å; V66-F87 HydrophobicContact CG1-CD2 3.9Å; V66-F87 HydrophobicContact CG1-CE1 4.02Å; V66-F87 HydrophobicContact CG1-CE2 4.46Å; V66-F87 HydrophobicContact CG1-CG 3.37Å; D84-F87 HydrophobicContact CB-CD2 3.91Å; D84-F87 HydrophobicContact CB-CE2 4.14Å; S85-F87 VanDerWaalsContact C-N 3.34Å; F87-L95 HydrophobicContact CB-CD1 4.24Å; F87-L95 HydrophobicContact CD1-CD1 4.41Å; F87-L95 HydrophobicContact CD1-CD2 4.09Å; F87-L95 HydrophobicContact CD1-CG 4.44Å; F87-L97 HydrophobicContact CD1-CB 4.49Å; F87-L97 HydrophobicContact CD1-CD1 3.79Å; F87-L97 HydrophobicContact CE1-CB 4.45Å; F87-L97 HydrophobicContact CE1-CD1 3.41Å; F87-L97 VanDerWaalsContact CE1-CD1 3.41Å; F87-L97 HydrophobicContact CE1-CD2 4.26Å; F87-L97 HydrophobicContact CE1-CG 4.22Å; F87-L97 HydrophobicContact CZ-CD1 3.8Å; F87-Y108 HydrophobicContact CE1-CE1 4Å
88K90Very high80Confident92 Ų9252.3 Ų52.340%0.430%0.304SS..EExtended strand (participates in β ladder)trans-131131.8179.3-63.8-179.9-175.7168.50110S85 L96 E98S85-K88 WeakPolarHBondContact O-CE 3.27Å; K88-L96 HydrophobicContact CB-CB 4.34Å; K88-L96 PolarHBondContact N-O 3.42Å; K88-L96 PolarHBondContact O-N 2.89Å; K88-E98 WeakPolarHBondContact CE-OE1 3.25Å; K88-E98 VanDerWaalsContact CE-OE2 3.24Å; K88-E98 WeakPolarHBondContact CE-OE2 3.26Å; K88-E98 IonicContact NZ-OE1 3.79Å; K88-E98 PolarHBondContact NZ-OE1 3Å; K88-E98 IonicContact NZ-OE2 2.7Å; K88-E98 PolarHBondContact NZ-OE2 2.79Å
89V88.6Confident82Confident19 Ų1950.2 Ų50.212%0.11530%0.298CS..EExtended strand (participates in β ladder)trans-90.2126.1172.4-175.60000108.8A67 I69 S94 L95A67-V89 HydrophobicContact CB-CG2 3.32Å; I69-V89 HydrophobicContact CD1-CG1 3.65Å; I69-V89 HydrophobicContact CG1-CG1 4.4Å; I69-V89 HydrophobicContact CG2-CB 4.47Å; V89-S94 WeakPolarHBondContact CA-O 3.2Å; V89-L95 HydrophobicContact CG2-CD1 4.18Å
90L88.8Confident84.2Confident51 Ų5147 Ų4727%0.26726%0.264SS..  trans-82.5167.3179.4-59.3-175.6000111E36 N92 Y93 S94 L96E36-L90 HydrophobicContact CG-CD1 4.12Å; L90-N92 WeakPolarHBondContact CB-OD1 3.45Å; L90-N92 PolarHBondContact O-N 3.18Å; L90-Y93 WeakPolarHBondContact O-CA 3.37Å; L90-Y93 PolarHBondContact O-N 2.83Å; L90-S94 PolarHBondContact N-O 2.82Å; L90-L96 HydrophobicContact CD1-CB 4.33Å; L90-L96 HydrophobicContact CD2-CB 4.03Å; L90-L96 HydrophobicContact CD2-CD2 4.21Å; L90-L96 HydrophobicContact CG-CB 4.11Å
91G82.1Confident86Confident70 Ų7047.9 Ų47.972%0.72227%0.265SS*.THydrogen-bonded Turntrans-63.3-20.8-179.500000114.6Y93G91-Y93 VanDerWaalsContact C-N 3.3Å
92N85.8Confident87.7Confident83 Ų8348 Ų4844%0.44426%0.262SS..THydrogen-bonded Turntrans-90.212171.865.5-11.8000113E36 L90 S94E36-N92 PolarHBondContact OE1-ND2 2.92Å; L90-N92 WeakPolarHBondContact CB-OD1 3.45Å; L90-N92 PolarHBondContact O-N 3.18Å; N92-S94 PolarHBondContact ND2-OG 3.46Å; N92-S94 VanDerWaalsContact ND2-OG 3.12Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 VanDerWaalsContact O-N 3.14Å; N92-S94 VanDerWaalsContact OD1-CB 3.28Å; N92-S94 WeakPolarHBondContact OD1-CB 3.39Å; N92-S94 PolarHBondContact OD1-N 2.93Å; N92-S94 PolarHBondContact OD1-OG 2.88Å
93Y86.8Confident89Confident45 Ų4551.2 Ų51.218%0.17628%0.277CS..SBendtrans67.22.8-178.1-41.4-55.8000116.2C39 L45 L51 W53 I69 L90 G91C39-Y93 WeakPolarHBondContact CB-O 3.43Å; L45-Y93 HydrophobicContact CD1-CD2 4.1Å; L45-Y93 HydrophobicContact CD1-CE2 3.65Å; L51-Y93 HydrophobicContact CD1-CD2 4.39Å; L51-Y93 HydrophobicContact CD1-CG 3.94Å; W53-Y93 PolarHBondContact NE1-O 2.96Å; I69-Y93 HydrophobicContact CD1-CD1 3.48Å; I69-Y93 VanDerWaalsContact CD1-CD1 3.48Å; I69-Y93 HydrophobicContact CD1-CE1 3.99Å; L90-Y93 WeakPolarHBondContact O-CA 3.37Å; L90-Y93 PolarHBondContact O-N 2.83Å; G91-Y93 VanDerWaalsContact C-N 3.3Å
94S91.6Very high90.3Very high3 Ų344.2 Ų44.22%0.02124%0.24CC..PPolyproline II helixtrans-61148.1168.3-63.40000111E36 L37 P38 V89 L90 N92E36-S94 WeakPolarHBondContact OE1-CB 3.48Å; E36-S94 PolarHBondContact OE1-OG 3.03Å; L37-S94 WeakPolarHBondContact O-CA 3.42Å; L37-S94 WeakPolarHBondContact O-CB 3.14Å; P38-S94 WeakPolarHBondContact CA-OG 3.29Å; V89-S94 WeakPolarHBondContact CA-O 3.2Å; L90-S94 PolarHBondContact N-O 2.82Å; N92-S94 PolarHBondContact ND2-OG 3.46Å; N92-S94 VanDerWaalsContact ND2-OG 3.12Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-S94 VanDerWaalsContact O-N 3.14Å; N92-S94 VanDerWaalsContact OD1-CB 3.28Å; N92-S94 WeakPolarHBondContact OD1-CB 3.39Å; N92-S94 PolarHBondContact OD1-N 2.93Å; N92-S94 PolarHBondContact OD1-OG 2.88Å
95L93.8Very high91.2Very high0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-93.9119.4171.6-175.169.9000109.7E36 L37 W53 V66 A67 F87 V89 Y108E36-L95 CarbonylContact C-O 3.53Å; E36-L95 WeakPolarHBondContact CA-O 3.41Å; L37-L95 HydrophobicContact CB-CB 4.32Å; L37-L95 HydrophobicContact CD1-CD2 4.12Å; L37-L95 PolarHBondContact N-O 3.46Å; L37-L95 PolarHBondContact O-N 3.02Å; W53-L95 HydrophobicContact CB-CD2 4.41Å; W53-L95 HydrophobicContact CD2-CB 3.78Å; W53-L95 HydrophobicContact CD2-CD2 4.08Å; W53-L95 HydrophobicContact CD2-CG 4.44Å; W53-L95 HydrophobicContact CE3-CB 4.27Å; W53-L95 HydrophobicContact CE3-CD2 4.09Å; W53-L95 HydrophobicContact CG-CB 4.15Å; W53-L95 HydrophobicContact CG-CD1 4.39Å; W53-L95 HydrophobicContact CG-CD2 4.25Å; W53-L95 HydrophobicContact CH2-CB 4.25Å; W53-L95 HydrophobicContact CZ2-CB 3.76Å; W53-L95 HydrophobicContact CZ3-CB 4.5Å; V66-L95 HydrophobicContact CG1-CD1 4.12Å; V66-L95 HydrophobicContact CG1-CD2 3.99Å; A67-L95 HydrophobicContact CB-CD1 4.43Å; F87-L95 HydrophobicContact CB-CD1 4.24Å; F87-L95 HydrophobicContact CD1-CD1 4.41Å; F87-L95 HydrophobicContact CD1-CD2 4.09Å; F87-L95 HydrophobicContact CD1-CG 4.44Å; V89-L95 HydrophobicContact CG2-CD1 4.18Å; L95-Y108 HydrophobicContact CD2-CD1 4.05Å; L95-Y108 HydrophobicContact CD2-CE1 4.28Å
96L94.8Very high91.8Very high34 Ų3438.5 Ų38.518%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-91.5122.8167.8-175.969.9000109.1E36 K88 L90 E98E36-L96 HydrophobicContact CB-CD1 4.5Å; K88-L96 HydrophobicContact CB-CB 4.34Å; K88-L96 PolarHBondContact N-O 3.42Å; K88-L96 PolarHBondContact O-N 2.89Å; L90-L96 HydrophobicContact CD1-CB 4.33Å; L90-L96 HydrophobicContact CD2-CB 4.03Å; L90-L96 HydrophobicContact CD2-CD2 4.21Å; L90-L96 HydrophobicContact CG-CB 4.11Å; L96-E98 HydrophobicContact CD2-CG 4.18Å; L96-E98 HydrophobicContact CG-CG 4.32Å
97L95.4Very high92Very high3 Ų342.1 Ų42.12%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-103.6109.8170.8173.553000109S34 A35 R86 F87 P100 D104S34-L97 CarbonylContact C-O 3.53Å; S34-L97 VanDerWaalsContact CA-O 3.26Å; S34-L97 WeakPolarHBondContact CA-O 3.47Å; A35-L97 PolarHBondContact N-O 3.3Å; A35-L97 PolarHBondContact O-N 3Å; R86-L97 HydrophobicContact CB-CD1 4.42Å; F87-L97 HydrophobicContact CD1-CB 4.49Å; F87-L97 HydrophobicContact CD1-CD1 3.79Å; F87-L97 HydrophobicContact CE1-CB 4.45Å; F87-L97 HydrophobicContact CE1-CD1 3.41Å; F87-L97 VanDerWaalsContact CE1-CD1 3.41Å; F87-L97 HydrophobicContact CE1-CD2 4.26Å; F87-L97 HydrophobicContact CE1-CG 4.22Å; F87-L97 HydrophobicContact CZ-CD1 3.8Å; L97-P100 HydrophobicContact CD2-CB 3.83Å; L97-P100 HydrophobicContact CD2-CG 4.01Å; L97-P100 HydrophobicContact CG-CB 4.15Å; L97-P100 HydrophobicContact CG-CG 3.93Å; L97-D104 HydrophobicContact CD2-CB 3.86Å
98E94.9Very high92.2Very high60 Ų6041.5 Ų41.528%0.2822%0.215SC..SBendtrans-84.1128.7177.5-63.7-175.3158.900111.6R86 K88 L96R86-E98 HydrophobicContact CB-CB 4.26Å; R86-E98 WeakPolarHBondContact CB-O 3.45Å; R86-E98 WeakPolarHBondContact CD-O 3.3Å; R86-E98 PolarHBondContact O-N 2.81Å; K88-E98 WeakPolarHBondContact CE-OE1 3.25Å; K88-E98 VanDerWaalsContact CE-OE2 3.24Å; K88-E98 WeakPolarHBondContact CE-OE2 3.26Å; K88-E98 IonicContact NZ-OE1 3.79Å; K88-E98 PolarHBondContact NZ-OE1 3Å; K88-E98 IonicContact NZ-OE2 2.7Å; K88-E98 PolarHBondContact NZ-OE2 2.79Å; L96-E98 HydrophobicContact CD2-CG 4.18Å; L96-E98 HydrophobicContact CG-CG 4.32Å
99G94.2Very high92.4Very high20 Ų2039.1 Ų39.121%0.20620%0.203CC..SBendtrans49.464.9-178.600000113.7R86R86-G99 PolarHBondContact NH1-O 3.29Å; R86-G99 VanDerWaalsContact NH1-O 3.13Å
100P95Very high92.5Very high1 Ų138.2 Ų38.21%0.00620%0.198CC..  trans-50.9141.1175.8-18.726.1000111.8A29 S31 G32 E33 A35 L97 V129A29-P100 HydrophobicContact CB-CB 4.03Å; A29-P100 HydrophobicContact CB-CG 3.83Å; S31-P100 VanDerWaalsContact CA-O 3.31Å; S31-P100 WeakPolarHBondContact CA-O 3.42Å; S31-P100 PolarHBondContact OG-O 3.16Å; G32-P100 PolarHBondContact N-O 3.48Å; G32-P100 VanDerWaalsContact N-O 3.14Å; E33-P100 WeakPolarHBondContact O-CD 3.25Å; E33-P100 WeakPolarHBondContact O-CG 3.42Å; A35-P100 HydrophobicContact CB-CG 4.22Å; L97-P100 HydrophobicContact CD2-CB 3.83Å; L97-P100 HydrophobicContact CD2-CG 4.01Å; L97-P100 HydrophobicContact CG-CB 4.15Å; L97-P100 HydrophobicContact CG-CG 3.93Å; P100-V129 HydrophobicContact CB-CG1 4.49Å; P100-V129 HydrophobicContact CB-CG2 4.12Å
101R94.4Very high92.5Very high127 Ų12735.9 Ų35.948%0.47919%0.186SC..  trans-124.5170.2178.1-56.9176.4-179.8-179.71.9110.7E103 D104 V129R101-E103 HydrophobicContact CB-CG 4.21Å; R101-E103 WeakPolarHBondContact CB-OE1 3.33Å; R101-E103 VanDerWaalsContact CB-OE2 3.26Å; R101-E103 WeakPolarHBondContact CB-OE2 3.37Å; R101-E103 WeakPolarHBondContact CD-OE1 3.44Å; R101-E103 IonicContact NH1-OE1 2.64Å; R101-E103 PolarHBondContact O-N 3.06Å; R101-D104 PolarHBondContact N-OD2 3.28Å; R101-D104 WeakPolarHBondContact O-CB 3.29Å; R101-D104 PolarHBondContact O-N 3.15Å; R101-V129 WeakPolarHBondContact O-CG2 3.31Å
102D94.4Very high92.5Very high58 Ų5832.8 Ų32.831%0.3115%0.153SC..G310 helixtrans-57.2-41.4-177.4-77.7-8000112.7D104 A105 K131 V153D102-D104 PolarHBondContact O-N 2.93Å; D102-A105 WeakPolarHBondContact O-CB 3.4Å; D102-A105 PolarHBondContact O-N 3.43Å; D102-A105 VanDerWaalsContact O-N 3.15Å; D102-K131 VanDerWaalsContact CG-CE 3.5Å; D102-K131 VanDerWaalsContact OD1-CD 3.26Å; D102-K131 WeakPolarHBondContact OD1-CD 3.28Å; D102-K131 WeakPolarHBondContact OD1-CE 3.43Å; D102-K131 IonicContact OD1-NZ 3.9Å; D102-K131 PolarHBondContact OD1-NZ 3.09Å; D102-K131 IonicContact OD2-NZ 3.41Å; D102-K131 PolarHBondContact OD2-NZ 3.14Å; D102-V153 HydrophobicContact CB-CG1 4.07Å; D102-V153 WeakPolarHBondContact OD1-CG2 3.42Å
103E92.3Very high92.2Very high98 Ų9831.2 Ų31.246%0.45814%0.143SC..G310 helixtrans-57.4-36.7178.557.6-91-151.800111.2R55 R101 A105R55-E103 PolarHBondContact NH2-O 3.14Å; R101-E103 HydrophobicContact CB-CG 4.21Å; R101-E103 WeakPolarHBondContact CB-OE1 3.33Å; R101-E103 VanDerWaalsContact CB-OE2 3.26Å; R101-E103 WeakPolarHBondContact CB-OE2 3.37Å; R101-E103 WeakPolarHBondContact CD-OE1 3.44Å; R101-E103 IonicContact NH1-OE1 2.64Å; R101-E103 PolarHBondContact O-N 3.06Å; E103-A105 PolarHBondContact O-N 3.29Å; E103-A105 VanDerWaalsContact O-N 3.14Å
104D93.6Very high91.5Very high0 Ų031 Ų310%015%0.145CC..G310 helixtrans-67.5-12-176.8-57.1-40000113.5R55 R86 L97 R101 D102 Y108R55-D104 IonicContact CZ-OD1 3.45Å; R55-D104 IonicContact NH1-OD1 2.73Å; R55-D104 PolarHBondContact NH1-OD1 2.78Å; R55-D104 VanDerWaalsContact NH2-CA 3.32Å; R55-D104 IonicContact NH2-OD1 2.72Å; R86-D104 IonicContact CZ-OD1 3.96Å; R86-D104 IonicContact CZ-OD2 3.65Å; R86-D104 IonicContact NH1-OD1 2.69Å; R86-D104 IonicContact NH1-OD2 2.83Å; R86-D104 PolarHBondContact NH1-OD2 3.08Å; R86-D104 IonicContact NH2-OD1 2.88Å; R86-D104 PolarHBondContact NH2-OD1 3.1Å; R86-D104 IonicContact NH2-OD2 3.72Å; R86-D104 PolarHBondContact NH2-OD2 3.32Å; L97-D104 HydrophobicContact CD2-CB 3.86Å; R101-D104 PolarHBondContact N-OD2 3.28Å; R101-D104 WeakPolarHBondContact O-CB 3.29Å; R101-D104 PolarHBondContact O-N 3.15Å; D102-D104 PolarHBondContact O-N 2.93Å; D104-Y108 WeakPolarHBondContact O-CE2 2.9Å; D104-Y108 PolarHBondContact O-OH 2.79Å
105A95.5Very high90.5Very high0 Ų038.1 Ų38.10%018%0.178CC..  trans-66.3138.8174.500000111.4A58 D102 E103 V129 V153A58-A105 PolarHBondContact N-O 3.39Å; D102-A105 WeakPolarHBondContact O-CB 3.4Å; D102-A105 PolarHBondContact O-N 3.43Å; D102-A105 VanDerWaalsContact O-N 3.15Å; E103-A105 PolarHBondContact O-N 3.29Å; E103-A105 VanDerWaalsContact O-N 3.14Å; A105-V129 HydrophobicContact CB-CG2 4.19Å; A105-V153 HydrophobicContact CB-CG1 4.13Å; A105-V153 VanDerWaalsContact CB-O 3.23Å; A105-V153 WeakPolarHBondContact CB-O 2.95Å
106G94.9Very high89.4Confident4 Ų444.3 Ų44.34%0.04121%0.211CC..EExtended strand (participates in β ladder)trans156-168.7-174.100000113S56 V127S56-G106 CarbonylContact O-C 3.53Å; S56-G106 VanDerWaalsContact O-CA 3.28Å; S56-G106 WeakPolarHBondContact O-CA 3.29Å; G106-V127 PolarHBondContact N-O 2.76Å; G106-V127 VanDerWaalsContact N-O 3.14Å; G106-V127 PolarHBondContact O-N 2.77Å
107R95.1Very high88.3Confident104 Ų10452.7 Ų52.739%0.39224%0.24SC..EExtended strand (participates in β ladder)trans-95.8129.2178.6-176.9164.6-69.5169.23.1110.2R55 S56 W109 V124 Y125 D126R55-R107 CarbonylContact C-O 3.51Å; R55-R107 VanDerWaalsContact CA-O 3.28Å; R55-R107 WeakPolarHBondContact CA-O 3.37Å; S56-R107 PolarHBondContact N-O 2.99Å; S56-R107 PolarHBondContact O-N 2.83Å; R107-W109 HydrophobicContact CB-CZ3 4.35Å; R107-W109 HydrophobicContact CG-CE3 3.95Å; R107-W109 HydrophobicContact CG-CZ3 4.09Å; R107-W109 WeakPolarHBondContact O-CZ3 3.19Å; R107-V124 HydrophobicContact CG-CG1 3.66Å; R107-Y125 CarbonylContact C-O 3.58Å; R107-Y125 VanDerWaalsContact CA-O 3.29Å; R107-Y125 WeakPolarHBondContact CA-O 3.35Å; R107-D126 IonicContact CZ-OD1 3.55Å; R107-D126 IonicContact CZ-OD2 3.81Å; R107-D126 IonicContact NE-OD1 3.32Å; R107-D126 PolarHBondContact NE-OD1 2.89Å; R107-D126 IonicContact NH2-OD1 2.74Å; R107-D126 PolarHBondContact NH2-OD1 3.23Å; R107-D126 VanDerWaalsContact NH2-OD1 3.13Å; R107-D126 IonicContact NH2-OD2 3.25Å; R107-D126 PolarHBondContact NH2-OD2 2.93Å
108Y95.3Very high87.2Confident0 Ų058.9 Ų58.90%027%0.267CS..EExtended strand (participates in β ladder)trans-118.6145.5177.3-70.2-105.3000109.8L37 F54 R55 V66 F87 L95 D104 V124 Y125 V127L37-Y108 HydrophobicContact CD1-CD1 3.76Å; L37-Y108 HydrophobicContact CD1-CD2 4.27Å; L37-Y108 HydrophobicContact CD1-CE1 4.4Å; L37-Y108 HydrophobicContact CD1-CG 3.67Å; F54-Y108 VanDerWaalsContact O-CA 3.29Å; F54-Y108 WeakPolarHBondContact O-CA 3.32Å; R55-Y108 HydrophobicContact CB-CD1 3.91Å; R55-Y108 HydrophobicContact CB-CE1 3.74Å; R55-Y108 HydrophobicContact CB-CG 4.47Å; R55-Y108 VanDerWaalsContact CD-CZ 3.47Å; R55-Y108 VanDerWaalsContact CD-OH 3.23Å; R55-Y108 WeakPolarHBondContact CD-OH 3.23Å; R55-Y108 HydrophobicContact CG-CD1 4.21Å; R55-Y108 HydrophobicContact CG-CD2 4.43Å; R55-Y108 HydrophobicContact CG-CE1 3.72Å; R55-Y108 HydrophobicContact CG-CE2 3.96Å; R55-Y108 PolarHBondContact NE-OH 2.86Å; V66-Y108 HydrophobicContact CG2-CE1 4.47Å; F87-Y108 HydrophobicContact CE1-CE1 4Å; L95-Y108 HydrophobicContact CD2-CD1 4.05Å; L95-Y108 HydrophobicContact CD2-CE1 4.28Å; D104-Y108 WeakPolarHBondContact O-CE2 2.9Å; D104-Y108 PolarHBondContact O-OH 2.79Å; Y108-V124 CarbonylContact O-C 3.54Å; Y108-V124 WeakPolarHBondContact O-CA 3.35Å; Y108-Y125 PolarHBondContact N-O 3.03Å; Y108-Y125 PolarHBondContact O-N 3Å; Y108-V127 HydrophobicContact CD2-CB 3.8Å; Y108-V127 HydrophobicContact CD2-CG2 3.38Å; Y108-V127 HydrophobicContact CE2-CB 3.79Å; Y108-V127 HydrophobicContact CE2-CG1 4.37Å; Y108-V127 HydrophobicContact CE2-CG2 3.79Å; Y108-V127 HydrophobicContact CG-CG2 4.14Å
109W93.3Very high86.2Confident42 Ų4262 Ų6216%0.15928%0.278CS..EExtended strand (participates in β ladder)trans-148.3144.7171.959.299.3000111.9W53 F54 T63 R107 R123 V124W53-W109 VanDerWaalsContact CE3-C 3.46Å; F54-W109 HydrophobicContact CB-CD2 3.85Å; F54-W109 HydrophobicContact CB-CE3 4.43Å; F54-W109 HydrophobicContact CB-CG 4.33Å; F54-W109 HydrophobicContact CB-CH2 4.14Å; F54-W109 HydrophobicContact CB-CZ2 3.5Å; F54-W109 VanDerWaalsContact CB-CZ2 3.5Å; F54-W109 AromaticContact CD2-NE1 3.63Å; F54-W109 HydrophobicContact CG-CZ2 4.22Å; F54-W109 AromaticContact CG-NE1 3.79Å; F54-W109 PolarHBondContact N-O 3.27Å; F54-W109 PolarHBondContact O-N 3.24Å; T63-W109 HydrophobicContact CG2-CH2 3.48Å; T63-W109 VanDerWaalsContact CG2-CH2 3.48Å; T63-W109 HydrophobicContact CG2-CZ2 3.45Å; T63-W109 VanDerWaalsContact CG2-CZ2 3.45Å; R107-W109 HydrophobicContact CB-CZ3 4.35Å; R107-W109 HydrophobicContact CG-CE3 3.95Å; R107-W109 HydrophobicContact CG-CZ3 4.09Å; R107-W109 WeakPolarHBondContact O-CZ3 3.19Å; W109-R123 WeakPolarHBondContact CA-O 3.32Å; W109-R123 VanDerWaalsContact CB-O 3.27Å; W109-R123 WeakPolarHBondContact CB-O 3.42Å; W109-V124 HydrophobicContact CB-CG2 4.06Å
110C90.8Very high85.3Confident0 Ų066 Ų660%029%0.29CS..EExtended strand (participates in β ladder)trans-98.6136.3167.873.50000109.9C39 W53 W122 R123C39-C110 HydrophobicContact CB-CB 3.83Å; C39-C110 WeakPolarHBondContact CB-SG 3.28Å; C39-C110 WeakPolarHBondContact SG-CB 3.33Å; C39-C110 CovalentContact SG-SG 2.06Å; C39-C110 PolarHBondContact SG-SG 2.85Å; W53-C110 HydrophobicContact CD2-CB 3.78Å; W53-C110 HydrophobicContact CE3-CB 4.02Å; W53-C110 HydrophobicContact CG-CB 4.45Å; W53-C110 HydrophobicContact CH2-CB 3.94Å; W53-C110 HydrophobicContact CZ2-CB 3.69Å; W53-C110 HydrophobicContact CZ3-CB 4.09Å; C110-W122 PolarHBondContact O-N 2.95Å; C110-W122 VanDerWaalsContact O-N 3.08Å; C110-R123 PolarHBondContact N-O 2.78Å
111T87.8Confident84.5Confident2 Ų270.2 Ų70.21%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-135.3149.2178.8-171.70000109.7L51 S52 F54 Y119 Q120 N121L51-T111 WeakPolarHBondContact CA-O 3.28Å; S52-T111 PolarHBondContact N-O 2.8Å; S52-T111 PolarHBondContact O-N 2.85Å; F54-T111 HydrophobicContact CD2-CG2 3.69Å; F54-T111 HydrophobicContact CE2-CG2 3.39Å; T111-Y119 HydrophobicContact CG2-CD1 3.69Å; T111-Y119 HydrophobicContact CG2-CE1 4.22Å; T111-Q120 WeakPolarHBondContact CA-O 3.21Å; T111-Q120 PolarHBondContact OG1-N 3.13Å; T111-Q120 PolarHBondContact OG1-O 3.48Å; T111-Q120 VanDerWaalsContact OG1-O 3.05Å; T111-N121 PolarHBondContact OG1-OD1 3.05Å
112V83.9Confident83.8Confident4 Ų466.6 Ų66.62%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-118.2131.1171.1175.20000109.4L45 Q49 L50 L51 Q120 W122L45-V112 HydrophobicContact CD2-CG1 4.17Å; L45-V112 HydrophobicContact CD2-CG2 4.38Å; Q49-V112 HydrophobicContact CB-CG1 3.81Å; Q49-V112 HydrophobicContact CG-CG1 4.33Å; Q49-V112 VanDerWaalsContact OE1-CG1 3.3Å; L50-V112 WeakPolarHBondContact O-CA 3.45Å; L51-V112 HydrophobicContact CB-CG2 3.94Å; L51-V112 HydrophobicContact CD1-CG2 3.87Å; L51-V112 HydrophobicContact CG-CG2 3.98Å; V112-Q120 PolarHBondContact N-O 2.68Å; V112-Q120 VanDerWaalsContact N-O 3.17Å; V112-Q120 PolarHBondContact O-N 2.69Å; V112-W122 HydrophobicContact CB-CH2 3.79Å; V112-W122 HydrophobicContact CB-CZ2 3.45Å; V112-W122 VanDerWaalsContact CB-CZ2 3.45Å; V112-W122 HydrophobicContact CG1-CH2 4.35Å; V112-W122 HydrophobicContact CG1-CZ2 4.1Å; V112-W122 HydrophobicContact CG2-CD2 4.34Å; V112-W122 HydrophobicContact CG2-CE3 4.17Å; V112-W122 HydrophobicContact CG2-CH2 3.07Å; V112-W122 HydrophobicContact CG2-CZ2 3.3Å; V112-W122 HydrophobicContact CG2-CZ3 3.57Å
113M79.6Confident83.4Confident51 Ų5165.2 Ų65.225%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-84.7116.8171.7-171.8170.864.300108.5L50 R117 Y119L50-M113 HydrophobicContact CB-CB 4.33Å; L50-M113 HydrophobicContact CB-CE 4.19Å; L50-M113 HydrophobicContact CD2-CE 3.86Å; L50-M113 PolarHBondContact O-N 2.95Å; M113-R117 HydrophobicContact SD-CB 4.44Å; M113-Y119 HydrophobicContact CB-CD1 4.21Å; M113-Y119 HydrophobicContact CB-CE1 3.99Å; M113-Y119 HydrophobicContact CG-CE1 4.41Å; M113-Y119 HydrophobicContact SD-CE1 4.41Å
114D70.8Confident83.4Confident41 Ų4161.5 Ų61.522%0.21927%0.274CS..  trans-73.5174.5175.37314.8000112.1N116 R117 K118D114-N116 PolarHBondContact O-N 3.34Å; D114-N116 VanDerWaalsContact OD1-CA 3.25Å; D114-N116 WeakPolarHBondContact OD1-CA 3.37Å; D114-N116 WeakPolarHBondContact OD1-CB 3.18Å; D114-N116 PolarHBondContact OD1-N 2.88Å; D114-R117 PolarHBondContact O-N 3.01Å; D114-R117 PolarHBondContact OD1-N 3.21Å; D114-K118 PolarHBondContact N-O 3.03Å; D114-K118 PolarHBondContact OD1-N 3.47Å
115Q70.1Confident83.4Confident151 Ų15161.7 Ų61.771%0.70628%0.275SS*.THydrogen-bonded Turntrans-61.9-22.9178.1-66176.1-9.300113R117Q115-R117 VanDerWaalsContact C-N 3.26Å; Q115-R117 PolarHBondContact O-N 2.63Å
116N70.9Confident83.4Confident130 Ų13063 Ų6370%0.69528%0.282SS*.THydrogen-bonded Turntrans-89.111.2177.4-64.8-29.3000112.5D114 K118D114-N116 PolarHBondContact O-N 3.34Å; D114-N116 VanDerWaalsContact OD1-CA 3.25Å; D114-N116 WeakPolarHBondContact OD1-CA 3.37Å; D114-N116 WeakPolarHBondContact OD1-CB 3.18Å; D114-N116 PolarHBondContact OD1-N 2.88Å; N116-K118 PolarHBondContact O-N 3.14Å
117R71.5Confident83.4Confident210 Ų21062.9 Ų62.979%0.79228%0.28SS*.SBendtrans59.526.1-178-56.1-179.3176.8163.7-1113.9M113 D114 Q115M113-R117 HydrophobicContact SD-CB 4.44Å; D114-R117 PolarHBondContact O-N 3.01Å; D114-R117 PolarHBondContact OD1-N 3.21Å; Q115-R117 VanDerWaalsContact C-N 3.26Å; Q115-R117 PolarHBondContact O-N 2.63Å
118K72.6Confident83.4Confident134 Ų13457.9 Ų57.958%0.58326%0.262SS*.  trans-94.8133.2171.8-65.3-174.4177.1-178.40109.6D114 N116D114-K118 PolarHBondContact N-O 3.03Å; D114-K118 PolarHBondContact OD1-N 3.47Å; N116-K118 PolarHBondContact O-N 3.14Å
119Y73.5Confident83.4Confident126 Ų12657.9 Ų57.949%0.49426%0.262SS..EExtended strand (participates in β ladder)trans-81.3128.3173-72.3-78000109.9T111 M113T111-Y119 HydrophobicContact CG2-CD1 3.69Å; T111-Y119 HydrophobicContact CG2-CE1 4.22Å; M113-Y119 HydrophobicContact CB-CD1 4.21Å; M113-Y119 HydrophobicContact CB-CE1 3.99Å; M113-Y119 HydrophobicContact CG-CE1 4.41Å; M113-Y119 HydrophobicContact SD-CE1 4.41Å
120Q76.8Confident83.5Confident102 Ų10255.9 Ų55.948%0.47725%0.254SS..EExtended strand (participates in β ladder)trans-111.9109170.7-63.9-64.1-22.500108.2T111 V112 W122T111-Q120 WeakPolarHBondContact CA-O 3.21Å; T111-Q120 PolarHBondContact OG1-N 3.13Å; T111-Q120 PolarHBondContact OG1-O 3.48Å; T111-Q120 VanDerWaalsContact OG1-O 3.05Å; V112-Q120 PolarHBondContact N-O 2.68Å; V112-Q120 VanDerWaalsContact N-O 3.17Å; V112-Q120 PolarHBondContact O-N 2.69Å; Q120-W122 PolarHBondContact O-N 3.09Å
121N77.8Confident83.7Confident91 Ų9158.7 Ų58.749%0.48727%0.266SS..EExtended strand (participates in β ladder)trans-71.1125.7171.9-67.6-17.3000108.3T111T111-N121 PolarHBondContact OG1-OD1 3.05Å
122W79.1Confident84.1Confident50 Ų5060.1 Ų60.119%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-102.3-32.6179.3-68.8-8.8000113.2P42 L45 L51 C110 V112 Q120P42-W122 HydrophobicContact CB-CZ2 4.3Å; P42-W122 HydrophobicContact CG-CD2 4.5Å; P42-W122 HydrophobicContact CG-CH2 3.37Å; P42-W122 HydrophobicContact CG-CZ2 3.19Å; P42-W122 HydrophobicContact CG-CZ3 4.11Å; L45-W122 HydrophobicContact CD1-CH2 3.9Å; L45-W122 HydrophobicContact CD1-CZ3 4.24Å; L45-W122 HydrophobicContact CD2-CH2 3.48Å; L45-W122 VanDerWaalsContact CD2-CH2 3.48Å; L45-W122 HydrophobicContact CD2-CZ2 4.12Å; L45-W122 HydrophobicContact CG-CH2 3.71Å; L51-W122 HydrophobicContact CD1-CZ3 4.25Å; C110-W122 PolarHBondContact O-N 2.95Å; C110-W122 VanDerWaalsContact O-N 3.08Å; V112-W122 HydrophobicContact CB-CH2 3.79Å; V112-W122 HydrophobicContact CB-CZ2 3.45Å; V112-W122 VanDerWaalsContact CB-CZ2 3.45Å; V112-W122 HydrophobicContact CG1-CH2 4.35Å; V112-W122 HydrophobicContact CG1-CZ2 4.1Å; V112-W122 HydrophobicContact CG2-CD2 4.34Å; V112-W122 HydrophobicContact CG2-CE3 4.17Å; V112-W122 HydrophobicContact CG2-CH2 3.07Å; V112-W122 HydrophobicContact CG2-CZ2 3.3Å; V112-W122 HydrophobicContact CG2-CZ3 3.57Å; Q120-W122 PolarHBondContact O-N 3.09Å
123R86.9Confident84.6Confident29 Ų2961.5 Ų61.511%0.10929%0.291CS..EExtended strand (participates in β ladder)trans-154.6134.1-175.6-15968.9-161.5142.614.8111.7D22 S23 Q25 P40 W109 C110 Y125D22-R123 IonicContact OD1-CZ 2.86Å; D22-R123 IonicContact OD1-NH1 3.8Å; D22-R123 PolarHBondContact OD1-NH1 3.17Å; S23-R123 PolarHBondContact O-NH1 2.74Å; S23-R123 PolarHBondContact O-NH2 2.81Å; Q25-R123 VanDerWaalsContact CB-NH2 3.34Å; P40-R123 HydrophobicContact CG-CB 4.05Å; P40-R123 HydrophobicContact CG-CG 4.26Å; W109-R123 WeakPolarHBondContact CA-O 3.32Å; W109-R123 VanDerWaalsContact CB-O 3.27Å; W109-R123 WeakPolarHBondContact CB-O 3.42Å; C110-R123 PolarHBondContact N-O 2.78Å; R123-Y125 HydrophobicContact CB-CE2 4.12Å; R123-Y125 HydrophobicContact CG-CD2 4.31Å; R123-Y125 HydrophobicContact CG-CE1 3.99Å; R123-Y125 HydrophobicContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-OH 3.26Å; R123-Y125 WeakPolarHBondContact CG-OH 3.41Å
124V91.8Very high85.3Confident21 Ų2163.1 Ų63.113%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-120.9130.7178.2-171.60000109.8I24 Q25 R107 Y108 W109I24-V124 HydrophobicContact CG1-CB 4.38Å; I24-V124 HydrophobicContact CG1-CG1 4.24Å; I24-V124 HydrophobicContact CG2-CG1 4.37Å; Q25-V124 PolarHBondContact N-O 2.81Å; R107-V124 HydrophobicContact CG-CG1 3.66Å; Y108-V124 CarbonylContact O-C 3.54Å; Y108-V124 WeakPolarHBondContact O-CA 3.35Å; W109-V124 HydrophobicContact CB-CG2 4.06Å
125Y94.3Very high86.2Confident4 Ų466.2 Ų66.22%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-121.7134.2179-62.1-70.8000111.2Q25 I27 L37 P38 W53 R107 Y108 R123Q25-Y125 HydrophobicContact CB-CD1 3.83Å; Q25-Y125 HydrophobicContact CB-CE1 4.01Å; Q25-Y125 CarbonylContact O-C 3.59Å; Q25-Y125 VanDerWaalsContact O-CA 3.25Å; Q25-Y125 WeakPolarHBondContact O-CA 3.18Å; I27-Y125 HydrophobicContact CD1-CD1 3.29Å; I27-Y125 HydrophobicContact CD1-CD2 4.48Å; I27-Y125 HydrophobicContact CD1-CE1 3.55Å; I27-Y125 HydrophobicContact CD1-CG 3.79Å; I27-Y125 HydrophobicContact CG1-CD1 3.86Å; I27-Y125 HydrophobicContact CG1-CE1 4.36Å; L37-Y125 HydrophobicContact CB-CD2 4.16Å; L37-Y125 HydrophobicContact CB-CE2 4.25Å; P38-Y125 WeakPolarHBondContact CD-OH 3.18Å; P38-Y125 VanDerWaalsContact CG-OH 3.24Å; P38-Y125 WeakPolarHBondContact CG-OH 3.5Å; P38-Y125 WeakPolarHBondContact O-CE2 3.35Å; P38-Y125 VanDerWaalsContact O-CZ 3.23Å; P38-Y125 PolarHBondContact O-OH 3.13Å; W53-Y125 HydrophobicContact CH2-CD2 4.11Å; W53-Y125 AromaticContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CH2-CE2 3.94Å; W53-Y125 HydrophobicContact CZ3-CD2 4.23Å; W53-Y125 HydrophobicContact CZ3-CE2 4.49Å; R107-Y125 CarbonylContact C-O 3.58Å; R107-Y125 VanDerWaalsContact CA-O 3.29Å; R107-Y125 WeakPolarHBondContact CA-O 3.35Å; Y108-Y125 PolarHBondContact N-O 3.03Å; Y108-Y125 PolarHBondContact O-N 3Å; R123-Y125 HydrophobicContact CB-CE2 4.12Å; R123-Y125 HydrophobicContact CG-CD2 4.31Å; R123-Y125 HydrophobicContact CG-CE1 3.99Å; R123-Y125 HydrophobicContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-CE2 3.49Å; R123-Y125 VanDerWaalsContact CG-OH 3.26Å; R123-Y125 WeakPolarHBondContact CG-OH 3.41Å
126D94.3Very high87.1Confident27 Ų2763.2 Ų63.214%0.14431%0.305CS..EExtended strand (participates in β ladder)trans-95.8100.7163.4-81.1-6.7000108.2I24 Q25 I26 I27 R107I24-D126 HydrophobicContact CG2-CB 4.04Å; Q25-D126 PolarHBondContact O-N 2.76Å; I26-D126 VanDerWaalsContact CA-O 3.3Å; I26-D126 WeakPolarHBondContact CA-O 3.18Å; I26-D126 HydrophobicContact CG1-CB 4.37Å; I27-D126 PolarHBondContact N-O 3.19Å; R107-D126 IonicContact CZ-OD1 3.55Å; R107-D126 IonicContact CZ-OD2 3.81Å; R107-D126 IonicContact NE-OD1 3.32Å; R107-D126 PolarHBondContact NE-OD1 2.89Å; R107-D126 IonicContact NH2-OD1 2.74Å; R107-D126 PolarHBondContact NH2-OD1 3.23Å; R107-D126 VanDerWaalsContact NH2-OD1 3.13Å; R107-D126 IonicContact NH2-OD2 3.25Å; R107-D126 PolarHBondContact NH2-OD2 2.93Å
127V95.8Very high88Confident1 Ų160 Ų601%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-83.9131.5-179.7179.40000109.4I27 A29 L37 G106 Y108 R156I27-V127 HydrophobicContact CB-CG2 4.46Å; I27-V127 WeakPolarHBondContact O-CA 3.42Å; A29-V127 HydrophobicContact CB-CG1 4.24Å; L37-V127 HydrophobicContact CD1-CG2 3.97Å; L37-V127 HydrophobicContact CD2-CG2 3.63Å; L37-V127 HydrophobicContact CG-CG2 4.49Å; G106-V127 PolarHBondContact N-O 2.76Å; G106-V127 VanDerWaalsContact N-O 3.14Å; G106-V127 PolarHBondContact O-N 2.77Å; Y108-V127 HydrophobicContact CD2-CB 3.8Å; Y108-V127 HydrophobicContact CD2-CG2 3.38Å; Y108-V127 HydrophobicContact CE2-CB 3.79Å; Y108-V127 HydrophobicContact CE2-CG1 4.37Å; Y108-V127 HydrophobicContact CE2-CG2 3.79Å; Y108-V127 HydrophobicContact CG-CG2 4.14Å; V127-R156 PolarHBondContact O-NH2 2.98Å
128S94.9Very high88.6Confident0 Ų058 Ų580%029%0.287CS..EExtended strand (participates in β ladder)trans-124.3136.4173.3-43.60000109.9I27 Y28 A29 V152 V153 R156I27-S128 PolarHBondContact O-N 2.87Å; Y28-S128 WeakPolarHBondContact CA-O 3.28Å; A29-S128 PolarHBondContact N-O 3.21Å; S128-V152 VanDerWaalsContact CB-CG2 3.48Å; S128-V153 CarbonylContact C-O 3.45Å; S128-V153 WeakPolarHBondContact CA-O 3.2Å; S128-R156 PolarHBondContact OG-NE 3.25Å; S128-R156 PolarHBondContact OG-NH2 3.26Å
129V95.8Very high88.8Confident0 Ų054.5 Ų54.50%028%0.28CS..EExtended strand (participates in β ladder)trans-97.9121.5-178.8178.70000109.5A29 P100 R101 A105 V152 V153A29-V129 CarbonylContact O-C 3.54Å; A29-V129 WeakPolarHBondContact O-CA 3.5Å; P100-V129 HydrophobicContact CB-CG1 4.49Å; P100-V129 HydrophobicContact CB-CG2 4.12Å; R101-V129 WeakPolarHBondContact O-CG2 3.31Å; A105-V129 HydrophobicContact CB-CG2 4.19Å; V129-V152 CarbonylContact O-C 3.53Å; V129-V152 WeakPolarHBondContact O-CA 3.47Å; V129-V153 PolarHBondContact N-O 2.98Å; V129-V153 PolarHBondContact O-N 3.45Å
130L95.4Very high89Confident0 Ų054.4 Ų54.40%029%0.294CS..EExtended strand (participates in β ladder)trans-91.3138.8178.4-65.8-173.2000110.3Y28 A29 S31 S151 V152 M208 K212 F214Y28-L130 HydrophobicContact CD1-CD1 4.27Å; Y28-L130 HydrophobicContact CD1-CD2 3.64Å; Y28-L130 HydrophobicContact CD1-CG 3.99Å; Y28-L130 HydrophobicContact CE1-CD2 4.31Å; Y28-L130 HydrophobicContact CG-CD1 4.22Å; Y28-L130 HydrophobicContact CG-CD2 4.4Å; Y28-L130 HydrophobicContact CG-CG 4.36Å; A29-L130 PolarHBondContact O-N 3.22Å; S31-L130 VanDerWaalsContact CB-O 3.28Å; S31-L130 WeakPolarHBondContact CB-O 3.42Å; S31-L130 PolarHBondContact N-O 2.8Å; L130-S151 CarbonylContact C-O 3.52Å; L130-S151 WeakPolarHBondContact CA-O 3.33Å; L130-V152 HydrophobicContact CD2-CB 3.74Å; L130-V152 HydrophobicContact CD2-CG2 3.77Å; L130-M208 HydrophobicContact CB-CE 3.65Å; L130-M208 HydrophobicContact CD1-CB 4.04Å; L130-M208 HydrophobicContact CD1-CE 3.91Å; L130-M208 HydrophobicContact CD1-SD 4.41Å; L130-M208 HydrophobicContact CD2-CE 3.82Å; L130-M208 HydrophobicContact CD2-SD 3.88Å; L130-M208 HydrophobicContact CG-CE 4Å; L130-K212 HydrophobicContact CD1-CB 3.5Å; L130-K212 HydrophobicContact CD1-CG 3.87Å; L130-F214 HydrophobicContact CB-CE2 3.87Å; L130-F214 HydrophobicContact CB-CZ 4.02Å; L130-F214 WeakPolarHBondContact O-CZ 3.23Å
131K94.9Very high89.1Confident59 Ų5957.6 Ų57.626%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-133.1144.7-179.4-74.6-175.8161-174.30111.7S31 D102 C150 S151S31-K131 WeakPolarHBondContact OG-CE 3.45Å; D102-K131 VanDerWaalsContact CG-CE 3.5Å; D102-K131 VanDerWaalsContact OD1-CD 3.26Å; D102-K131 WeakPolarHBondContact OD1-CD 3.28Å; D102-K131 WeakPolarHBondContact OD1-CE 3.43Å; D102-K131 IonicContact OD1-NZ 3.9Å; D102-K131 PolarHBondContact OD1-NZ 3.09Å; D102-K131 IonicContact OD2-NZ 3.41Å; D102-K131 PolarHBondContact OD2-NZ 3.14Å; K131-C150 CarbonylContact O-C 3.59Å; K131-C150 VanDerWaalsContact O-CA 3.3Å; K131-C150 WeakPolarHBondContact O-CA 3.34Å; K131-S151 PolarHBondContact N-O 2.78Å; K131-S151 PolarHBondContact O-N 2.77Å
132G94.9Very high88.8Confident31 Ų3154.7 Ų54.732%0.3231%0.307SS..EExtended strand (participates in β ladder)trans-122.3128.1168.600000109.4L149 F214G132-L149 CarbonylContact C-O 3.55Å; G132-L149 VanDerWaalsContact CA-O 3.29Å; G132-L149 WeakPolarHBondContact CA-O 3.28Å; G132-F214 VanDerWaalsContact N-CE1 3.3Å
133S94.3Very high88.7Confident34 Ų3454.7 Ų54.724%0.23831%0.313CS..EExtended strand (participates in β ladder)trans-135148.9176.745.80000111.2F135 L149S133-F135 WeakPolarHBondContact OG-CE2 3.31Å; S133-F135 WeakPolarHBondContact OG-CZ 3.34Å; S133-L149 PolarHBondContact N-O 3.14Å; S133-L149 PolarHBondContact O-N 3.15Å
134Q94.1Very high88.6Confident85 Ų8556.4 Ų56.440%0.39733%0.329SS..EExtended strand (participates in β ladder)trans-127.4131-179170174.3-15.600109A147 L148 F216Q134-A147 CarbonylContact C-O 3.6Å; Q134-A147 WeakPolarHBondContact CA-O 3.36Å; Q134-L148 HydrophobicContact CB-CD2 3.8Å; Q134-L148 HydrophobicContact CG-CD2 3.59Å; Q134-F216 HydrophobicContact CB-CD1 4.04Å
135F91.6Very high88.3Confident106 Ų10655.9 Ų55.947%0.46533%0.326SS..EExtended strand (participates in β ladder)trans-128.1151.7-179.8-48.2-82.8000110S133 A147 L149S133-F135 WeakPolarHBondContact OG-CE2 3.31Å; S133-F135 WeakPolarHBondContact OG-CZ 3.34Å; F135-A147 HydrophobicContact CB-CB 4.3Å; F135-A147 PolarHBondContact N-O 2.85Å; F135-A147 PolarHBondContact O-N 2.87Å; F135-L149 HydrophobicContact CE2-CB 4.07Å; F135-L149 HydrophobicContact CE2-CD2 4.11Å
136S89.2Confident88.1Confident88 Ų8857.1 Ų57.162%0.61534%0.336SS*.EExtended strand (participates in β ladder)trans-99.1126.1168.9-176.70000108.9
137V88.2Confident88Confident63 Ų6356.1 Ų56.138%0.38233%0.332SS..EExtended strand (participates in β ladder)trans-113.1119.4-178.6-177.30000108S144 C145 A147 L186V137-S144 CarbonylContact O-C 3.58Å; V137-S144 WeakPolarHBondContact O-CA 3.35Å; V137-C145 PolarHBondContact N-O 3.17Å; V137-C145 PolarHBondContact O-N 2.76Å; V137-A147 HydrophobicContact CG2-CB 3.57Å; V137-L186 HydrophobicContact CB-CD1 4.4Å; V137-L186 HydrophobicContact CG2-CD1 4.31Å
138K85.4Confident88Confident166 Ų16656.1 Ų56.172%0.72233%0.331SS*.EExtended strand (participates in β ladder)trans-95.4123.1175-63.8-173.6177.9-178.50109
139S76.9Confident87.9Confident62 Ų6258.1 Ų58.143%0.43434%0.342SS..  trans-76142.5166.9-1760000109D141 G142S139-D141 PolarHBondContact O-N 2.81Å; S139-G142 PolarHBondContact O-N 2.85Å
140P77.6Confident87.9Confident123 Ų12358.1 Ų58.180%0.79934%0.342SS*.SBendtrans-52.7-40.7-180-27.234.6000113.8
141D77.7Confident87.8Confident169 Ų16959.2 Ų59.290%0.90435%0.35SS*.SBendtrans-122.710.7-176.8-57.1-51000112.7S139S139-D141 PolarHBondContact O-N 2.81Å
142G72.1Confident87.8Confident31 Ų3156.7 Ų56.732%0.3234%0.339SS..SBendtrans-129.1176.4-169.400000114.3S139S139-G142 PolarHBondContact O-N 2.85Å
143P75.8Confident87.8Confident50 Ų5057 Ų5733%0.32534%0.335SS..PPolyproline II helixtrans-64.3155.3179.925.7-33000112.4C145 P189P143-C145 PolarHBondContact O-N 3.38Å; P143-P189 HydrophobicContact CB-CG 3.59Å; P143-P189 HydrophobicContact CG-CG 4.23Å
144S84.9Confident87.7Confident64 Ų6457.1 Ų57.145%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-70.1122.8170.8-62.40000110V137 P189V137-S144 CarbonylContact O-C 3.58Å; V137-S144 WeakPolarHBondContact O-CA 3.35Å; S144-P189 VanDerWaalsContact O-CD 3.23Å; S144-P189 WeakPolarHBondContact O-CD 3.12Å
145C86.6Confident87.4Confident10 Ų1056.5 Ų56.57%0.06834%0.344CS..EExtended strand (participates in β ladder)trans-102155177-53.70000110.8V137 P143 L186 V187 C188V137-C145 PolarHBondContact N-O 3.17Å; V137-C145 PolarHBondContact O-N 2.76Å; P143-C145 PolarHBondContact O-N 3.38Å; C145-L186 HydrophobicContact CB-CD1 3.76Å; C145-L186 HydrophobicContact CB-CG 4.15Å; C145-V187 CarbonylContact C-O 3.58Å; C145-V187 WeakPolarHBondContact CA-O 3.26Å; C145-C188 HydrophobicContact CB-CB 4.03Å; C145-C188 WeakPolarHBondContact CB-SG 3.49Å; C145-C188 WeakPolarHBondContact SG-CB 2.77Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 3.24Å
146S90.1Very high87.1Confident30 Ų3054.4 Ų54.421%0.2133%0.333CS..EExtended strand (participates in β ladder)trans-99125.2170.7-630000110V187S146-V187 PolarHBondContact N-O 3.19Å; S146-V187 PolarHBondContact O-N 3.14Å
147A92.3Very high86.7Confident7 Ų758.6 Ų58.66%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-101.8116.6173.800000109.5Q134 F135 V137 L184 L186Q134-A147 CarbonylContact C-O 3.6Å; Q134-A147 WeakPolarHBondContact CA-O 3.36Å; F135-A147 HydrophobicContact CB-CB 4.3Å; F135-A147 PolarHBondContact N-O 2.85Å; F135-A147 PolarHBondContact O-N 2.87Å; V137-A147 HydrophobicContact CG2-CB 3.57Å; A147-L184 HydrophobicContact CB-CD1 4.05Å; A147-L186 HydrophobicContact CB-CD1 4.04Å
148L94.9Very high86.3Confident0 Ų057.1 Ų57.10%033%0.325CS..EExtended strand (participates in β ladder)trans-107.3121.8179.8-53.8-178.2000108.9Q134 W163 L184 L185 I204 F216 L218Q134-L148 HydrophobicContact CB-CD2 3.8Å; Q134-L148 HydrophobicContact CG-CD2 3.59Å; L148-W163 HydrophobicContact CB-CH2 3.69Å; L148-W163 HydrophobicContact CB-CZ3 3.67Å; L148-W163 HydrophobicContact CD1-CZ3 4.2Å; L148-W163 VanDerWaalsContact O-CH2 3.29Å; L148-W163 WeakPolarHBondContact O-CH2 3.29Å; L148-L184 CarbonylContact O-C 3.57Å; L148-L184 WeakPolarHBondContact O-CA 3.39Å; L148-L185 HydrophobicContact CB-CB 4.34Å; L148-L185 HydrophobicContact CD1-CD2 4.18Å; L148-L185 PolarHBondContact N-O 3.24Å; L148-L185 PolarHBondContact O-N 2.73Å; L148-I204 HydrophobicContact CD1-CB 3.81Å; L148-I204 HydrophobicContact CD1-CD1 4.01Å; L148-I204 HydrophobicContact CD1-CG1 4.47Å; L148-I204 HydrophobicContact CD1-CG2 3.72Å; L148-F216 HydrophobicContact CB-CD2 4.21Å; L148-F216 HydrophobicContact CB-CE2 4.32Å; L148-F216 HydrophobicContact CB-CG 4.42Å; L148-F216 HydrophobicContact CD1-CB 3.84Å; L148-F216 HydrophobicContact CD1-CD2 3.92Å; L148-F216 HydrophobicContact CD1-CG 4.02Å; L148-F216 HydrophobicContact CD2-CB 3.69Å; L148-F216 HydrophobicContact CD2-CD1 3.96Å; L148-F216 HydrophobicContact CD2-CD2 4.32Å; L148-F216 HydrophobicContact CD2-CG 3.73Å; L148-F216 HydrophobicContact CG-CB 4.36Å; L148-F216 HydrophobicContact CG-CD2 4.38Å; L148-F216 HydrophobicContact CG-CG 4.27Å; L148-L218 HydrophobicContact CD1-CD2 4.46Å; L148-L218 HydrophobicContact CD2-CD2 4.1Å
149L94.3Very high85.8Confident42 Ų4256.5 Ų56.522%0.2233%0.33CS..EExtended strand (participates in β ladder)trans-117.2126.7-175.8178.266.3000109.7G132 S133 F135 A182 L184G132-L149 CarbonylContact C-O 3.55Å; G132-L149 VanDerWaalsContact CA-O 3.29Å; G132-L149 WeakPolarHBondContact CA-O 3.28Å; S133-L149 PolarHBondContact N-O 3.14Å; S133-L149 PolarHBondContact O-N 3.15Å; F135-L149 HydrophobicContact CE2-CB 4.07Å; F135-L149 HydrophobicContact CE2-CD2 4.11Å; L149-A182 HydrophobicContact CD1-CB 4.06Å; L149-L184 HydrophobicContact CB-CD1 4.28Å; L149-L184 HydrophobicContact CD1-CB 4.17Å; L149-L184 HydrophobicContact CD1-CD1 4.47Å
150C94.7Very high85.8Confident0 Ų056.9 Ų56.90%033%0.333CS..EExtended strand (participates in β ladder)trans-109128.4163.5-92.90000108.9K131 W163 A182 A183 C206 M208K131-C150 CarbonylContact O-C 3.59Å; K131-C150 VanDerWaalsContact O-CA 3.3Å; K131-C150 WeakPolarHBondContact O-CA 3.34Å; C150-W163 HydrophobicContact CB-CH2 4.46Å; C150-W163 HydrophobicContact CB-CZ2 4.39Å; C150-A182 CarbonylContact O-C 3.6Å; C150-A182 VanDerWaalsContact O-CA 3.31Å; C150-A182 WeakPolarHBondContact O-CA 3.42Å; C150-A183 HydrophobicContact CB-CB 4.49Å; C150-A183 PolarHBondContact N-O 3Å; C150-A183 PolarHBondContact O-N 2.83Å; C150-C206 HydrophobicContact CB-CB 4.16Å; C150-C206 WeakPolarHBondContact CB-SG 3.38Å; C150-C206 WeakPolarHBondContact SG-CB 3.37Å; C150-C206 CovalentContact SG-SG 2.02Å; C150-C206 PolarHBondContact SG-SG 3.09Å; C150-M208 HydrophobicContact CB-CE 4.05Å; C150-M208 HydrophobicContact CB-CG 4.48Å; C150-M208 HydrophobicContact CB-SD 3.91Å
151S94.3Very high86.3Confident24 Ų2451.9 Ų51.917%0.16830%0.3CS..EExtended strand (participates in β ladder)trans-138.2164.1179.161.60000112.7L130 K131 G181L130-S151 CarbonylContact C-O 3.52Å; L130-S151 WeakPolarHBondContact CA-O 3.33Å; K131-S151 PolarHBondContact N-O 2.78Å; K131-S151 PolarHBondContact O-N 2.77Å; S151-G181 CarbonylContact C-O 3.52Å; S151-G181 WeakPolarHBondContact CA-O 3.34Å; S151-G181 WeakPolarHBondContact CB-O 3.26Å
152V94.1Very high86.9Confident5 Ų547.1 Ų47.13%0.0328%0.277CS..EExtended strand (participates in β ladder)trans-128.1140.2175.461.60000110.6Y28 S128 V129 L130 P154 L158 G181Y28-V152 HydrophobicContact CD1-CG2 4.33Å; Y28-V152 HydrophobicContact CE1-CG2 4.15Å; S128-V152 VanDerWaalsContact CB-CG2 3.48Å; V129-V152 CarbonylContact O-C 3.53Å; V129-V152 WeakPolarHBondContact O-CA 3.47Å; L130-V152 HydrophobicContact CD2-CB 3.74Å; L130-V152 HydrophobicContact CD2-CG2 3.77Å; V152-P154 CarbonylContact C-O 3.56Å; V152-P154 CarbonylContact O-C 3.54Å; V152-L158 HydrophobicContact CB-CD1 4.41Å; V152-L158 HydrophobicContact CB-CD2 4.14Å; V152-L158 HydrophobicContact CG1-CD1 3.87Å; V152-L158 HydrophobicContact CG1-CD2 3.75Å; V152-L158 HydrophobicContact CG1-CG 3.77Å; V152-G181 VanDerWaalsContact CG1-CA 3.49Å; V152-G181 PolarHBondContact N-O 2.83Å
153V93.9Very high87.9Confident39 Ų3946 Ų4624%0.23626%0.263CS..EExtended strand (participates in β ladder)trans-121.1132.9176.1-179.30000109.8D102 A105 S128 V129D102-V153 HydrophobicContact CB-CG1 4.07Å; D102-V153 WeakPolarHBondContact OD1-CG2 3.42Å; A105-V153 HydrophobicContact CB-CG1 4.13Å; A105-V153 VanDerWaalsContact CB-O 3.23Å; A105-V153 WeakPolarHBondContact CB-O 2.95Å; S128-V153 CarbonylContact C-O 3.45Å; S128-V153 WeakPolarHBondContact CA-O 3.2Å; V129-V153 PolarHBondContact N-O 2.98Å; V129-V153 PolarHBondContact O-N 3.45Å
154P92.2Very high88.7Confident36 Ų3645.2 Ų45.223%0.23426%0.256CS..SBendcis-59.9160.8-12.931.1-38.1000111A58 V152 R156A58-P154 HydrophobicContact CB-CB 4.05Å; A58-P154 HydrophobicContact CB-CG 3.94Å; V152-P154 CarbonylContact C-O 3.56Å; V152-P154 CarbonylContact O-C 3.54Å; P154-R156 VanDerWaalsContact CG-CZ 3.47Å; P154-R156 WeakPolarHBondContact O-CG 3.25Å; P154-R156 PolarHBondContact O-N 3.22Å
155A89.6Confident89Confident72 Ų7244 Ų4460%0.59524%0.243SC*.  trans-60.3124.3177.500000110.1
156R84.6Confident88.9Confident62 Ų6245.2 Ų45.223%0.23426%0.257CS..  trans-143.4159.1176.2-17.9-174.9177-119.78.8108.9V127 S128 P154 L158 G181V127-R156 PolarHBondContact O-NH2 2.98Å; S128-R156 PolarHBondContact OG-NE 3.25Å; S128-R156 PolarHBondContact OG-NH2 3.26Å; P154-R156 VanDerWaalsContact CG-CZ 3.47Å; P154-R156 WeakPolarHBondContact O-CG 3.25Å; P154-R156 PolarHBondContact O-N 3.22Å; R156-L158 PolarHBondContact O-N 3.5Å; R156-G181 WeakPolarHBondContact O-CA 3.33Å; R156-G181 PolarHBondContact O-N 2.95Å
157R81.6Confident88.7Confident176 Ų17655.1 Ų55.166%0.66429%0.29SS*.  trans-57.5131.6171.1-67.6-169.8174.3-179.5-0.3110.9E180R157-E180 WeakPolarHBondContact CG-OE1 3.07Å; R157-E180 WeakPolarHBondContact CG-OE2 3.06Å; R157-E180 IonicContact CZ-OE1 3.22Å; R157-E180 IonicContact NE-OE1 3.87Å; R157-E180 PolarHBondContact NE-OE1 2.58Å; R157-E180 IonicContact NE-OE2 2.95Å; R157-E180 IonicContact NH2-OE1 3.34Å; R157-E180 PolarHBondContact NH2-OE1 2.84Å
158L79.6Confident88.4Confident31 Ų3158.2 Ų58.216%0.16231%0.306CS..  trans-105.7102.3173-69.3172.1000107.3Y28 V152 R156 S160 V161 M208 P209Y28-L158 HydrophobicContact CE1-CD2 4.42Å; V152-L158 HydrophobicContact CB-CD1 4.41Å; V152-L158 HydrophobicContact CB-CD2 4.14Å; V152-L158 HydrophobicContact CG1-CD1 3.87Å; V152-L158 HydrophobicContact CG1-CD2 3.75Å; V152-L158 HydrophobicContact CG1-CG 3.77Å; R156-L158 PolarHBondContact O-N 3.5Å; L158-S160 PolarHBondContact O-N 3.32Å; L158-V161 HydrophobicContact CB-CG2 3.76Å; L158-V161 HydrophobicContact CD1-CG2 3.87Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; L158-M208 HydrophobicContact CD1-SD 4.28Å; L158-P209 HydrophobicContact CD2-CG 4.05Å
159D73.3Confident88Confident154 Ų15462.6 Ų62.682%0.82433%0.334SS*.SBendtrans-70.4-17.4-172.6-59.3-36.9000113.5
160S77.8Confident87.7Confident70 Ų7061 Ų6149%0.4933%0.326SS..  trans-149.9100.2-179.5510000111.5L158L158-S160 PolarHBondContact O-N 3.32Å
161V88.6Confident87Confident17 Ų1768.5 Ų68.510%0.10335%0.354CS..  trans-121.9127.7166.8-1800000109.2L158 W178 A183 L207 M208L158-V161 HydrophobicContact CB-CG2 3.76Å; L158-V161 HydrophobicContact CD1-CG2 3.87Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; V161-W178 HydrophobicContact CB-CE3 4.39Å; V161-W178 HydrophobicContact CB-CZ3 3.72Å; V161-W178 HydrophobicContact CG1-CZ3 3.92Å; V161-W178 WeakPolarHBondContact O-CH2 2.83Å; V161-W178 WeakPolarHBondContact O-CZ3 3.47Å; V161-A183 HydrophobicContact CB-CB 4.09Å; V161-A183 HydrophobicContact CG1-CB 3.59Å; V161-A183 HydrophobicContact CG2-CB 4.4Å; V161-L207 VanDerWaalsContact CA-O 3.25Å; V161-L207 WeakPolarHBondContact CA-O 2.93Å; V161-M208 HydrophobicContact CG2-CG 4.31Å
162T90.3Very high86Confident70 Ų7070.6 Ų70.643%0.42938%0.379SS..EExtended strand (participates in β ladder)trans-127.6133.3-177.8-53.60000110.8L164 L207T162-L164 HydrophobicContact CG2-CD2 3.95Å; T162-L164 HydrophobicContact CG2-CG 4.16Å; T162-L207 PolarHBondContact N-O 2.99Å; T162-L207 PolarHBondContact O-N 3.34Å
163W92.6Very high84.9Confident6 Ų676.3 Ų76.32%0.02341%0.406CS..EExtended strand (participates in β ladder)trans-99.1126.9175.9-66.497.3000110.8L148 C150 V170 Y176 W178 A183 L185 I204 R205 C206 F216L148-W163 HydrophobicContact CB-CH2 3.69Å; L148-W163 HydrophobicContact CB-CZ3 3.67Å; L148-W163 HydrophobicContact CD1-CZ3 4.2Å; L148-W163 VanDerWaalsContact O-CH2 3.29Å; L148-W163 WeakPolarHBondContact O-CH2 3.29Å; C150-W163 HydrophobicContact CB-CH2 4.46Å; C150-W163 HydrophobicContact CB-CZ2 4.39Å; W163-V170 HydrophobicContact CB-CG2 3.85Å; W163-Y176 HydrophobicContact CB-CE1 3.99Å; W163-Y176 AromaticContact CD1-CD1 3.71Å; W163-Y176 AromaticContact CD1-CE1 3.97Å; W163-Y176 HydrophobicContact CG-CD1 4.35Å; W163-Y176 HydrophobicContact CG-CE1 4.2Å; W163-W178 AromaticContact CD1-CH2 3.78Å; W163-W178 AromaticContact NE1-CH2 4Å; W163-A183 HydrophobicContact CZ2-CB 4.34Å; W163-A183 WeakPolarHBondContact CZ2-O 3.2Å; W163-L185 HydrophobicContact CB-CD2 4.12Å; W163-L185 HydrophobicContact CD2-CB 3.64Å; W163-L185 HydrophobicContact CD2-CD2 3.65Å; W163-L185 HydrophobicContact CD2-CG 4.24Å; W163-L185 HydrophobicContact CE3-CB 3.89Å; W163-L185 HydrophobicContact CE3-CD2 3.42Å; W163-L185 VanDerWaalsContact CE3-CD2 3.42Å; W163-L185 HydrophobicContact CE3-CG 4.3Å; W163-L185 HydrophobicContact CG-CB 4.21Å; W163-L185 HydrophobicContact CG-CD2 3.96Å; W163-L185 HydrophobicContact CH2-CB 3.94Å; W163-L185 HydrophobicContact CZ2-CB 3.71Å; W163-L185 HydrophobicContact CZ3-CB 4Å; W163-L185 HydrophobicContact CZ3-CD2 4.02Å; W163-I204 HydrophobicContact CE3-CG2 3.88Å; W163-I204 HydrophobicContact CZ3-CG2 4.34Å; W163-R205 CarbonylContact C-O 3.53Å; W163-R205 WeakPolarHBondContact CA-O 3.43Å; W163-C206 HydrophobicContact CD2-CB 4.28Å; W163-C206 HydrophobicContact CE3-CB 3.79Å; W163-C206 HydrophobicContact CH2-CB 3.82Å; W163-C206 HydrophobicContact CZ2-CB 4.28Å; W163-C206 HydrophobicContact CZ3-CB 3.57Å; W163-F216 HydrophobicContact CH2-CE2 4.06Å; W163-F216 HydrophobicContact CZ3-CD2 4.02Å; W163-F216 AromaticContact CZ3-CE2 3.68Å; W163-F216 HydrophobicContact CZ3-CE2 3.68Å
164L92.2Very high84.1Confident34 Ų3475.5 Ų75.518%0.17840%0.403CS..EExtended strand (participates in β ladder)trans-129.6139.7-176.6-62.5178.3000111.8T162 N168 I204 R205 L207T162-L164 HydrophobicContact CG2-CD2 3.95Å; T162-L164 HydrophobicContact CG2-CG 4.16Å; L164-N168 CarbonylContact C-O 3.58Å; L164-N168 VanDerWaalsContact CA-O 3.32Å; L164-N168 WeakPolarHBondContact CA-O 3.3Å; L164-I204 CarbonylContact O-C 3.58Å; L164-I204 WeakPolarHBondContact O-CA 3.31Å; L164-R205 PolarHBondContact N-O 2.83Å; L164-R205 PolarHBondContact O-N 3.25Å; L164-L207 HydrophobicContact CD1-CD1 3.38Å; L164-L207 HydrophobicContact CD1-CG 3.96Å; L164-L207 HydrophobicContact CG-CD1 4.31Å
165E90.8Very high83.4Confident40 Ų4078.8 Ų78.819%0.18742%0.415CS..EExtended strand (participates in β ladder)trans-110.2104.2164.2-175.6172.9-158.700108.5R167 N168 V170 R171 R202E165-R167 PolarHBondContact O-N 3.31Å; E165-R167 VanDerWaalsContact O-N 3.15Å; E165-N168 PolarHBondContact N-O 2.87Å; E165-N168 PolarHBondContact O-N 2.74Å; E165-N168 VanDerWaalsContact O-N 3.17Å; E165-V170 HydrophobicContact CB-CG2 4.42Å; E165-R171 PolarHBondContact OE2-N 2.97Å; E165-R202 VanDerWaalsContact CD-NH2 3.35Å; E165-R202 IonicContact OE1-CZ 3.13Å; E165-R202 IonicContact OE1-NE 2.76Å; E165-R202 PolarHBondContact OE1-NE 3.23Å; E165-R202 IonicContact OE1-NH2 4Å; E165-R202 PolarHBondContact OE1-NH2 3.05Å; E165-R202 IonicContact OE2-CZ 3.53Å; E165-R202 IonicContact OE2-NE 2.81Å; E165-R202 IonicContact OE2-NH2 2.95Å; E165-R202 PolarHBondContact OE2-NH2 2.83Å
166G85.8Confident83Confident34 Ų3479.8 Ų79.835%0.35140%0.404SS..THydrogen-bonded Turntrans67.3-108-168.600000111.9
167R85.5Confident82.6Confident238 Ų23881.4 Ų81.490%0.89841%0.413SS*.THydrogen-bonded Turntrans-110-6.5175.2-67-176.7-175.6-104.92.4113.2E165E165-R167 PolarHBondContact O-N 3.31Å; E165-R167 VanDerWaalsContact O-N 3.15Å
168N86.4Confident82.4Confident73 Ų7380.1 Ų80.139%0.3941%0.408SS..EExtended strand (participates in β ladder)trans-105160-173.9-59.6-62.1000109.7L164 E165 R171L164-N168 CarbonylContact C-O 3.58Å; L164-N168 VanDerWaalsContact CA-O 3.32Å; L164-N168 WeakPolarHBondContact CA-O 3.3Å; E165-N168 PolarHBondContact N-O 2.87Å; E165-N168 PolarHBondContact O-N 2.74Å; E165-N168 VanDerWaalsContact O-N 3.17Å; N168-R171 PolarHBondContact ND2-NH2 2.75Å
169P86.7Confident82.2Confident91 Ų9181 Ų8159%0.59143%0.425SS*.EExtended strand (participates in β ladder)trans-53.6153.2164.2-23.234.1000111.4R171P169-R171 PolarHBondContact O-N 3.32Å
170V87.7Confident82.5Confident10 Ų1078.9 Ų78.96%0.06141%0.41CS..PPolyproline II helixtrans-60.9128179179.30000109.8W163 E165 A174 Y176 L185 V187 I204W163-V170 HydrophobicContact CB-CG2 3.85Å; E165-V170 HydrophobicContact CB-CG2 4.42Å; V170-A174 HydrophobicContact CG1-CB 4.11Å; V170-Y176 PolarHBondContact O-OH 3.46Å; V170-L185 HydrophobicContact CB-CD2 4.39Å; V170-L185 HydrophobicContact CG1-CD2 4.23Å; V170-L185 HydrophobicContact CG2-CD2 3.85Å; V170-V187 HydrophobicContact CG1-CG2 4.41Å; V170-I204 HydrophobicContact CG1-CD1 3.92Å; V170-I204 HydrophobicContact CG2-CD1 4.43Å; V170-I204 HydrophobicContact CG2-CG2 3.77Å
171R79.8Confident82.8Confident156 Ų15675.7 Ų75.759%0.58939%0.388SS*.PPolyproline II helixtrans-93.4155-177.3-56.5-178.3-172-1770.8111.6E165 N168 P169 R202E165-R171 PolarHBondContact OE2-N 2.97Å; N168-R171 PolarHBondContact ND2-NH2 2.75Å; P169-R171 PolarHBondContact O-N 3.32Å; R171-R202 PolarHBondContact O-NH2 2.8Å
172G72.8Confident83Confident68 Ų6876.5 Ų76.570%0.70140%0.396SS*.SBendtrans94.5-155.1173.300000113.9A174G172-A174 VanDerWaalsContact C-N 3.27Å; G172-A174 PolarHBondContact O-N 2.69Å
173H71.8Confident83.1Confident126 Ų12673.2 Ų73.258%0.58338%0.376SS*.SBendtrans-76.178.2177.3-62.796.8000110.4C188H173-C188 PolarHBondContact O-N 2.88Å
174A75.7Confident83.1Confident21 Ų2175.6 Ų75.617%0.17439%0.389CS..EExtended strand (participates in β ladder)trans-107.6128.217800000110.4V170 G172 Y176 L185 L186V170-A174 HydrophobicContact CG1-CB 4.11Å; G172-A174 VanDerWaalsContact C-N 3.27Å; G172-A174 PolarHBondContact O-N 2.69Å; A174-Y176 HydrophobicContact CB-CE2 4.15Å; A174-L185 HydrophobicContact CB-CD1 3.79Å; A174-L186 VanDerWaalsContact CA-O 3.3Å; A174-L186 WeakPolarHBondContact CA-O 3.35Å
175Q78.6Confident83.1Confident105 Ų10574 Ų7449%0.49138%0.381SS..EExtended strand (participates in β ladder)trans-113.5134.7172.2-58.4179.629.100110F177 L185 L186Q175-F177 HydrophobicContact CB-CE2 3.68Å; Q175-F177 HydrophobicContact CB-CZ 4.02Å; Q175-L185 WeakPolarHBondContact O-CA 3.23Å; Q175-L186 HydrophobicContact CB-CB 4.27Å; Q175-L186 PolarHBondContact N-O 2.72Å; Q175-L186 PolarHBondContact O-N 2.02Å
176Y81.9Confident83.1Confident94 Ų9473.5 Ų73.537%0.36938%0.379SS..EExtended strand (participates in β ladder)trans-111.8125.1-175.6-54.7-89.9000109.7W163 V170 A174 W178 L185W163-Y176 HydrophobicContact CB-CE1 3.99Å; W163-Y176 AromaticContact CD1-CD1 3.71Å; W163-Y176 AromaticContact CD1-CE1 3.97Å; W163-Y176 HydrophobicContact CG-CD1 4.35Å; W163-Y176 HydrophobicContact CG-CE1 4.2Å; V170-Y176 PolarHBondContact O-OH 3.46Å; A174-Y176 HydrophobicContact CB-CE2 4.15Å; Y176-W178 HydrophobicContact CD1-CZ2 4.22Å; Y176-W178 HydrophobicContact CG-CZ2 4.37Å; Y176-L185 HydrophobicContact CD1-CD1 3.94Å; Y176-L185 HydrophobicContact CE1-CD1 3.71Å
177F75.9Confident83.3Confident96 Ų9672.2 Ų72.242%0.42137%0.365SS..EExtended strand (participates in β ladder)trans-122.7140.2174.5-50.9-96.1000109.2Q175 A183 L184 L186Q175-F177 HydrophobicContact CB-CE2 3.68Å; Q175-F177 HydrophobicContact CB-CZ 4.02Å; F177-A183 CarbonylContact O-C 3.56Å; F177-A183 WeakPolarHBondContact O-CA 3.29Å; F177-L184 HydrophobicContact CB-CB 4.16Å; F177-L184 HydrophobicContact CB-CD2 4.44Å; F177-L184 HydrophobicContact CD2-CB 4.42Å; F177-L184 HydrophobicContact CD2-CD2 3.87Å; F177-L184 HydrophobicContact CD2-CG 4.12Å; F177-L184 HydrophobicContact CE2-CD2 4.5Å; F177-L184 HydrophobicContact CG-CD2 4.33Å; F177-L184 PolarHBondContact N-O 2.84Å; F177-L184 PolarHBondContact O-N 3.45Å; F177-L186 HydrophobicContact CE2-CB 4.36Å
178W77.4Confident83.2Confident149 Ų14962.2 Ų62.256%0.56433%0.331SS*.EExtended strand (participates in β ladder)trans-131.6135.7-178.8-39.692.1000108.4V161 W163 Y176 A183V161-W178 HydrophobicContact CB-CE3 4.39Å; V161-W178 HydrophobicContact CB-CZ3 3.72Å; V161-W178 HydrophobicContact CG1-CZ3 3.92Å; V161-W178 WeakPolarHBondContact O-CH2 2.83Å; V161-W178 WeakPolarHBondContact O-CZ3 3.47Å; W163-W178 AromaticContact CD1-CH2 3.78Å; W163-W178 AromaticContact NE1-CH2 4Å; Y176-W178 HydrophobicContact CD1-CZ2 4.22Å; Y176-W178 HydrophobicContact CG-CZ2 4.37Å; W178-A183 HydrophobicContact CE3-CB 3.56Å; W178-A183 HydrophobicContact CZ3-CB 3.64Å
179G74.2Confident82.7Confident49 Ų4961.8 Ų61.851%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-142177175.200000111.1G181 A182G179-G181 PolarHBondContact O-N 2.85Å; G179-A182 PolarHBondContact N-O 2.83Å; G179-A182 PolarHBondContact O-N 2.89Å
180E80.8Confident81.6Confident110 Ų11060.2 Ų60.251%0.51433%0.327SS..THydrogen-bonded Turntrans-59.1106.2172.7-71-69.8160.700109.1R157R157-E180 WeakPolarHBondContact CG-OE1 3.07Å; R157-E180 WeakPolarHBondContact CG-OE2 3.06Å; R157-E180 IonicContact CZ-OE1 3.22Å; R157-E180 IonicContact NE-OE1 3.87Å; R157-E180 PolarHBondContact NE-OE1 2.58Å; R157-E180 IonicContact NE-OE2 2.95Å; R157-E180 IonicContact NH2-OE1 3.34Å; R157-E180 PolarHBondContact NH2-OE1 2.84Å
181G84.1Confident80Confident3 Ų367.8 Ų67.83%0.03136%0.361CS..THydrogen-bonded Turntrans82.5917800000117S151 V152 R156 G179S151-G181 CarbonylContact C-O 3.52Å; S151-G181 WeakPolarHBondContact CA-O 3.34Å; S151-G181 WeakPolarHBondContact CB-O 3.26Å; V152-G181 VanDerWaalsContact CG1-CA 3.49Å; V152-G181 PolarHBondContact N-O 2.83Å; R156-G181 WeakPolarHBondContact O-CA 3.33Å; R156-G181 PolarHBondContact O-N 2.95Å; G179-G181 PolarHBondContact O-N 2.85Å
182A91.4Very high78.6Confident33 Ų3364.2 Ų64.227%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-149.3146.7-179.100000114.2L149 C150 G179L149-A182 HydrophobicContact CD1-CB 4.06Å; C150-A182 CarbonylContact O-C 3.6Å; C150-A182 VanDerWaalsContact O-CA 3.31Å; C150-A182 WeakPolarHBondContact O-CA 3.42Å; G179-A182 PolarHBondContact N-O 2.83Å; G179-A182 PolarHBondContact O-N 2.89Å
183A92.5Very high77.3Confident1 Ų167.4 Ų67.41%0.00837%0.374CS..EExtended strand (participates in β ladder)trans-127.5127.3169.900000108.8C150 V161 W163 F177 W178C150-A183 HydrophobicContact CB-CB 4.49Å; C150-A183 PolarHBondContact N-O 3Å; C150-A183 PolarHBondContact O-N 2.83Å; V161-A183 HydrophobicContact CB-CB 4.09Å; V161-A183 HydrophobicContact CG1-CB 3.59Å; V161-A183 HydrophobicContact CG2-CB 4.4Å; W163-A183 HydrophobicContact CZ2-CB 4.34Å; W163-A183 WeakPolarHBondContact CZ2-O 3.2Å; F177-A183 CarbonylContact O-C 3.56Å; F177-A183 WeakPolarHBondContact O-CA 3.29Å; W178-A183 HydrophobicContact CE3-CB 3.56Å; W178-A183 HydrophobicContact CZ3-CB 3.64Å
184L92.8Very high75.9Confident56 Ų5666 Ų6629%0.29338%0.376SS..EExtended strand (participates in β ladder)trans-119.6133.4-179.2171.474.7000109.4A147 L148 L149 F177A147-L184 HydrophobicContact CB-CD1 4.05Å; L148-L184 CarbonylContact O-C 3.57Å; L148-L184 WeakPolarHBondContact O-CA 3.39Å; L149-L184 HydrophobicContact CB-CD1 4.28Å; L149-L184 HydrophobicContact CD1-CB 4.17Å; L149-L184 HydrophobicContact CD1-CD1 4.47Å; F177-L184 HydrophobicContact CB-CB 4.16Å; F177-L184 HydrophobicContact CB-CD2 4.44Å; F177-L184 HydrophobicContact CD2-CB 4.42Å; F177-L184 HydrophobicContact CD2-CD2 3.87Å; F177-L184 HydrophobicContact CD2-CG 4.12Å; F177-L184 HydrophobicContact CE2-CD2 4.5Å; F177-L184 HydrophobicContact CG-CD2 4.33Å; F177-L184 PolarHBondContact N-O 2.84Å; F177-L184 PolarHBondContact O-N 3.45Å
185L92.9Very high74.6Confident0 Ų069.3 Ų69.30%039%0.388CS..EExtended strand (participates in β ladder)trans-119.2118.8173.7170.767.6000109.3L148 W163 V170 A174 Q175 Y176 V187 I204L148-L185 HydrophobicContact CB-CB 4.34Å; L148-L185 HydrophobicContact CD1-CD2 4.18Å; L148-L185 PolarHBondContact N-O 3.24Å; L148-L185 PolarHBondContact O-N 2.73Å; W163-L185 HydrophobicContact CB-CD2 4.12Å; W163-L185 HydrophobicContact CD2-CB 3.64Å; W163-L185 HydrophobicContact CD2-CD2 3.65Å; W163-L185 HydrophobicContact CD2-CG 4.24Å; W163-L185 HydrophobicContact CE3-CB 3.89Å; W163-L185 HydrophobicContact CE3-CD2 3.42Å; W163-L185 VanDerWaalsContact CE3-CD2 3.42Å; W163-L185 HydrophobicContact CE3-CG 4.3Å; W163-L185 HydrophobicContact CG-CB 4.21Å; W163-L185 HydrophobicContact CG-CD2 3.96Å; W163-L185 HydrophobicContact CH2-CB 3.94Å; W163-L185 HydrophobicContact CZ2-CB 3.71Å; W163-L185 HydrophobicContact CZ3-CB 4Å; W163-L185 HydrophobicContact CZ3-CD2 4.02Å; V170-L185 HydrophobicContact CB-CD2 4.39Å; V170-L185 HydrophobicContact CG1-CD2 4.23Å; V170-L185 HydrophobicContact CG2-CD2 3.85Å; A174-L185 HydrophobicContact CB-CD1 3.79Å; Q175-L185 WeakPolarHBondContact O-CA 3.23Å; Y176-L185 HydrophobicContact CD1-CD1 3.94Å; Y176-L185 HydrophobicContact CE1-CD1 3.71Å; L185-V187 HydrophobicContact CD1-CG2 4.19Å; L185-V187 HydrophobicContact CD2-CG2 3.93Å; L185-V187 HydrophobicContact CG-CG2 3.76Å; L185-I204 HydrophobicContact CD2-CD1 4.36Å; L185-I204 HydrophobicContact CD2-CG2 3.73Å
186L91.1Very high73Confident31 Ų3169.5 Ų69.516%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-97.6125.3171.6-17170.6000109.4V137 C145 A147 A174 Q175 F177V137-L186 HydrophobicContact CB-CD1 4.4Å; V137-L186 HydrophobicContact CG2-CD1 4.31Å; C145-L186 HydrophobicContact CB-CD1 3.76Å; C145-L186 HydrophobicContact CB-CG 4.15Å; A147-L186 HydrophobicContact CB-CD1 4.04Å; A174-L186 VanDerWaalsContact CA-O 3.3Å; A174-L186 WeakPolarHBondContact CA-O 3.35Å; Q175-L186 HydrophobicContact CB-CB 4.27Å; Q175-L186 PolarHBondContact N-O 2.72Å; Q175-L186 PolarHBondContact O-N 2.02Å; F177-L186 HydrophobicContact CE2-CB 4.36Å
187V88.1Confident71.3Confident7 Ų775.6 Ų75.64%0.04242%0.418CS..EExtended strand (participates in β ladder)trans-122115178.3-173.40000109.3C145 S146 V170 L185 I204 L218C145-V187 CarbonylContact C-O 3.58Å; C145-V187 WeakPolarHBondContact CA-O 3.26Å; S146-V187 PolarHBondContact N-O 3.19Å; S146-V187 PolarHBondContact O-N 3.14Å; V170-V187 HydrophobicContact CG1-CG2 4.41Å; L185-V187 HydrophobicContact CD1-CG2 4.19Å; L185-V187 HydrophobicContact CD2-CG2 3.93Å; L185-V187 HydrophobicContact CG-CG2 3.76Å; V187-I204 HydrophobicContact CG2-CD1 3.8Å; V187-L218 HydrophobicContact CB-CD1 4.22Å; V187-L218 HydrophobicContact CG1-CD1 4.04Å
188C83.9Confident70.1Confident27 Ų2775.4 Ų75.418%0.18244%0.444CS..  trans-104.9146.7176.3-58.10000110.6C145 H173C145-C188 HydrophobicContact CB-CB 4.03Å; C145-C188 WeakPolarHBondContact CB-SG 3.49Å; C145-C188 WeakPolarHBondContact SG-CB 2.77Å; C145-C188 CovalentContact SG-SG 2.04Å; C145-C188 PolarHBondContact SG-SG 3.24Å; H173-C188 PolarHBondContact O-N 2.88Å
189P76.4Confident69.4Low64 Ų6476 Ų7642%0.41645%0.446SS..PPolyproline II helixtrans-62.5145.116928.7-33.6000109.5P143 S144P143-P189 HydrophobicContact CB-CG 3.59Å; P143-P189 HydrophobicContact CG-CG 4.23Å; S144-P189 VanDerWaalsContact O-CD 3.23Å; S144-P189 WeakPolarHBondContact O-CD 3.12Å
190A63.7Low69Low58 Ų5884.5 Ų84.548%0.47946%0.463SS..PPolyproline II helixtrans-74.6131.1177.400000109.9
191E55.2Low68.6Low169 Ų16983 Ų8379%0.7946%0.462SS*.THydrogen-bonded Turntrans-62.3138173-78.1175.315700110.9L193E191-L193 PolarHBondContact O-N 2.64Å
192G49.5Very low68.6Low82 Ų8286 Ų8685%0.84547%0.473SS*.THydrogen-bonded Turntrans77.82.7164.400000117.8
193L44.6Very low68.6Low135 Ų13587 Ų8771%0.70747%0.474SS*.  trans-107.4113.9172.8-14980.1000110.5E191 E195E191-L193 PolarHBondContact O-N 2.64Å; L193-E195 PolarHBondContact O-N 2.81Å
194P42.3Very low68.6Low96 Ų9687 Ų8762%0.62347%0.473SS*.  trans-63.1116.5169.225.9-29.4000106.6T196P194-T196 HydrophobicContact CB-CG2 4.4Å; P194-T196 HydrophobicContact CG-CG2 4.49Å; P194-T196 PolarHBondContact O-N 2.93Å
195E49.8Very low68.7Low91 Ų9188.1 Ų88.143%0.42547%0.474SS..  trans-64.384.1167.8-77.2-157.8121.300107.8L193 R197 R199L193-E195 PolarHBondContact O-N 2.81Å; E195-R197 PolarHBondContact O-N 2.86Å; E195-R199 IonicContact OE1-CZ 3.03Å; E195-R199 IonicContact OE1-NH1 3.39Å; E195-R199 PolarHBondContact OE1-NH1 2.79Å
196T44.3Very low68.8Low108 Ų10888.1 Ų88.166%0.66347%0.474SS*.  trans-72.4126.7173.841.40000107.8P194P194-T196 HydrophobicContact CB-CG2 4.4Å; P194-T196 HydrophobicContact CG-CG2 4.49Å; P194-T196 PolarHBondContact O-N 2.93Å
197R46.6Very low68.9Low222 Ų22289.2 Ų89.284%0.83848%0.48SS*.SBendtrans91.9122177.8-59178.6-175-161.3-0.9114.3E195 R199E195-R197 PolarHBondContact O-N 2.86Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 WeakPolarHBondContact O-CA 3.3Å; R197-R199 PolarHBondContact O-N 2.85Å
198G51.1Low69Low93 Ų9389.2 Ų89.296%0.95948%0.479SS*.  trans-41.59217300000112.3
199R62Low69.3Low160 Ų16088.7 Ų88.760%0.60448%0.475SS*.PPolyproline II helixtrans-89.6132.1-169.8-110176.7178.8177.61.9108.9E195 R197E195-R199 IonicContact OE1-CZ 3.03Å; E195-R199 IonicContact OE1-NH1 3.39Å; E195-R199 PolarHBondContact OE1-NH1 2.79Å; R197-R199 VanDerWaalsContact C-N 3.34Å; R197-R199 WeakPolarHBondContact O-CA 3.3Å; R197-R199 PolarHBondContact O-N 2.85Å
200R66.1Low69.9Low229 Ų22990.8 Ų90.886%0.86448%0.48SS*.PPolyproline II helixtrans-48.6142.5165.2-87.5179.6174.1175.2-1.8109.3R202R200-R202 PolarHBondContact O-N 2.89Å
201P72.4Confident71.1Confident78 Ų7895.2 Ų95.251%0.50650%0.495SS..PPolyproline II helixtrans-52.5135.7174.821.4-31.9000110.1N203 L218P201-N203 PolarHBondContact O-N 2.81Å; P201-L218 WeakPolarHBondContact CA-O 3.41Å; P201-L218 VanDerWaalsContact CB-O 3.31Å; P201-L218 WeakPolarHBondContact CB-O 3.38Å
202R84.9Confident72.8Confident66 Ų6690.6 Ų90.625%0.24947%0.473CS..EExtended strand (participates in β ladder)trans-70.3117.6178.2-62.9178.267.5-168.21.2107.7E165 R171 R200 L218E165-R202 VanDerWaalsContact CD-NH2 3.35Å; E165-R202 IonicContact OE1-CZ 3.13Å; E165-R202 IonicContact OE1-NE 2.76Å; E165-R202 PolarHBondContact OE1-NE 3.23Å; E165-R202 IonicContact OE1-NH2 4Å; E165-R202 PolarHBondContact OE1-NH2 3.05Å; E165-R202 IonicContact OE2-CZ 3.53Å; E165-R202 IonicContact OE2-NE 2.81Å; E165-R202 IonicContact OE2-NH2 2.95Å; E165-R202 PolarHBondContact OE2-NH2 2.83Å; R171-R202 PolarHBondContact O-NH2 2.8Å; R200-R202 PolarHBondContact O-N 2.89Å; R202-L218 HydrophobicContact CB-CB 4.22Å; R202-L218 PolarHBondContact N-O 3.23Å; R202-L218 VanDerWaalsContact N-O 3.17Å; R202-L218 PolarHBondContact O-N 2.95Å
203N90.2Very high74.9Confident54 Ų5493.9 Ų93.929%0.28946%0.459SS..EExtended strand (participates in β ladder)trans-96.8107.1176.6-172.9-81.5000109P201 R205 F216P201-N203 PolarHBondContact O-N 2.81Å; N203-R205 PolarHBondContact OD1-NE 3.06Å; N203-F216 CarbonylContact C-O 3.55Å; N203-F216 WeakPolarHBondContact CA-O 3.47Å
204I93.3Very high77.3Confident0 Ų088.7 Ų88.70%043%0.431CS..EExtended strand (participates in β ladder)trans-102136.6178-62.3-177.9000108.7L148 W163 L164 V170 L185 V187 S215 F216 L218L148-I204 HydrophobicContact CD1-CB 3.81Å; L148-I204 HydrophobicContact CD1-CD1 4.01Å; L148-I204 HydrophobicContact CD1-CG1 4.47Å; L148-I204 HydrophobicContact CD1-CG2 3.72Å; W163-I204 HydrophobicContact CE3-CG2 3.88Å; W163-I204 HydrophobicContact CZ3-CG2 4.34Å; L164-I204 CarbonylContact O-C 3.58Å; L164-I204 WeakPolarHBondContact O-CA 3.31Å; V170-I204 HydrophobicContact CG1-CD1 3.92Å; V170-I204 HydrophobicContact CG2-CD1 4.43Å; V170-I204 HydrophobicContact CG2-CG2 3.77Å; L185-I204 HydrophobicContact CD2-CD1 4.36Å; L185-I204 HydrophobicContact CD2-CG2 3.73Å; V187-I204 HydrophobicContact CG2-CD1 3.8Å; I204-S215 WeakPolarHBondContact O-CA 3.47Å; I204-F216 PolarHBondContact N-O 2.81Å; I204-F216 PolarHBondContact O-N 2.83Å; I204-L218 HydrophobicContact CD1-CD1 3.55Å; I204-L218 HydrophobicContact CD1-CG 4.32Å; I204-L218 HydrophobicContact CG1-CD1 4.35Å
205R94.6Very high79.8Confident81 Ų8187.4 Ų87.431%0.30643%0.425SS..EExtended strand (participates in β ladder)trans-120.4140.4-178.7-55.7-179.9-161.5156.90.2110.6W163 L164 N203 F214W163-R205 CarbonylContact C-O 3.53Å; W163-R205 WeakPolarHBondContact CA-O 3.43Å; L164-R205 PolarHBondContact N-O 2.83Å; L164-R205 PolarHBondContact O-N 3.25Å; N203-R205 PolarHBondContact OD1-NE 3.06Å; R205-F214 CarbonylContact C-O 3.48Å; R205-F214 WeakPolarHBondContact CA-O 3.4Å
206C94.1Very high81.8Confident0 Ų083.7 Ų83.70%041%0.407CS..EExtended strand (participates in β ladder)trans-107.1118.8168.7159.60000107.6C150 W163 R213 F214 F216C150-C206 HydrophobicContact CB-CB 4.16Å; C150-C206 WeakPolarHBondContact CB-SG 3.38Å; C150-C206 WeakPolarHBondContact SG-CB 3.37Å; C150-C206 CovalentContact SG-SG 2.02Å; C150-C206 PolarHBondContact SG-SG 3.09Å; W163-C206 HydrophobicContact CD2-CB 4.28Å; W163-C206 HydrophobicContact CE3-CB 3.79Å; W163-C206 HydrophobicContact CH2-CB 3.82Å; W163-C206 HydrophobicContact CZ2-CB 4.28Å; W163-C206 HydrophobicContact CZ3-CB 3.57Å; C206-R213 CarbonylContact O-C 3.59Å; C206-R213 WeakPolarHBondContact O-CA 3.49Å; C206-F214 PolarHBondContact N-O 2.79Å; C206-F214 PolarHBondContact O-N 2.85Å; C206-F216 HydrophobicContact CB-CE2 4.05Å
207L93.1Very high84.1Confident54 Ų5481.9 Ų81.928%0.28340%0.399SS..EExtended strand (participates in β ladder)trans-92.9125.3172.3-61.8-174.7000108.6V161 T162 L164 R213V161-L207 VanDerWaalsContact CA-O 3.25Å; V161-L207 WeakPolarHBondContact CA-O 2.93Å; T162-L207 PolarHBondContact N-O 2.99Å; T162-L207 PolarHBondContact O-N 3.34Å; L164-L207 HydrophobicContact CD1-CD1 3.38Å; L164-L207 HydrophobicContact CD1-CG 3.96Å; L164-L207 HydrophobicContact CG-CD1 4.31Å; L207-R213 HydrophobicContact CD2-CB 3.76Å
208M91.3Very high85.9Confident6 Ų671.8 Ų71.83%0.0336%0.361CS..EExtended strand (participates in β ladder)trans-115171179-71.4-142.9-90.500110.2L130 C150 L158 V161 N211 K212 F214L130-M208 HydrophobicContact CB-CE 3.65Å; L130-M208 HydrophobicContact CD1-CB 4.04Å; L130-M208 HydrophobicContact CD1-CE 3.91Å; L130-M208 HydrophobicContact CD1-SD 4.41Å; L130-M208 HydrophobicContact CD2-CE 3.82Å; L130-M208 HydrophobicContact CD2-SD 3.88Å; L130-M208 HydrophobicContact CG-CE 4Å; C150-M208 HydrophobicContact CB-CE 4.05Å; C150-M208 HydrophobicContact CB-CG 4.48Å; C150-M208 HydrophobicContact CB-SD 3.91Å; L158-M208 HydrophobicContact CD1-SD 4.28Å; V161-M208 HydrophobicContact CG2-CG 4.31Å; M208-N211 PolarHBondContact O-N 3.33Å; M208-K212 HydrophobicContact CB-CB 4.44Å; M208-K212 PolarHBondContact N-O 2.8Å; M208-K212 PolarHBondContact O-N 3.28Å; M208-F214 HydrophobicContact CE-CD2 3.39Å; M208-F214 HydrophobicContact CE-CE2 3.11Å; M208-F214 HydrophobicContact CE-CZ 4.23Å
209P88.8Confident87.1Confident17 Ų1771.7 Ų71.711%0.1135%0.351CS..G310 helixtrans-51154.6179.6-30.537.8000113.7Y28 L158 N211 K212Y28-P209 HydrophobicContact CD2-CB 3.94Å; Y28-P209 HydrophobicContact CE2-CB 3.53Å; Y28-P209 HydrophobicContact CE2-CG 4.29Å; L158-P209 HydrophobicContact CD2-CG 4.05Å; P209-N211 PolarHBondContact O-N 2.95Å; P209-K212 WeakPolarHBondContact O-CG 3.05Å; P209-K212 PolarHBondContact O-N 2.04Å
210Q89.2Confident87.1Confident108 Ų10866.3 Ų66.351%0.50534%0.341SS..G310 helixtrans57.431-175.4-57.7177400113.7I26 Y28 K212I26-Q210 PolarHBondContact O-NE2 2.98Å; Y28-Q210 HydrophobicContact CD2-CB 4.44Å; Y28-Q210 HydrophobicContact CD2-CG 3.87Å; Y28-Q210 HydrophobicContact CE2-CG 4.41Å; Q210-K212 HydrophobicContact CB-CG 4.45Å; Q210-K212 PolarHBondContact O-N 2.81Å; Q210-K212 VanDerWaalsContact O-N 3.1Å
211N88.6Confident86.6Confident150 Ų15058.3 Ų58.380%0.80232%0.324SS*.G310 helixtrans56.922.4-179.4-65.7-29.7000114.3M208 P209M208-N211 PolarHBondContact O-N 3.33Å; P209-N211 PolarHBondContact O-N 2.95Å
212K92.3Very high85.2Confident73 Ų7360.1 Ų60.132%0.31734%0.336SS..EExtended strand (participates in β ladder)trans-71.5142.9172.6-60.6-58.2-176.5174.60109Y28 I30 L130 M208 P209 Q210Y28-K212 WeakPolarHBondContact O-CE 3.07Å; I30-K212 HydrophobicContact CD1-CB 4.1Å; I30-K212 HydrophobicContact CD1-CD 3.87Å; I30-K212 HydrophobicContact CD1-CG 4.44Å; I30-K212 HydrophobicContact CG1-CB 4.29Å; I30-K212 HydrophobicContact CG1-CD 4.18Å; I30-K212 HydrophobicContact CG1-CG 4.48Å; L130-K212 HydrophobicContact CD1-CB 3.5Å; L130-K212 HydrophobicContact CD1-CG 3.87Å; M208-K212 HydrophobicContact CB-CB 4.44Å; M208-K212 PolarHBondContact N-O 2.8Å; M208-K212 PolarHBondContact O-N 3.28Å; P209-K212 WeakPolarHBondContact O-CG 3.05Å; P209-K212 PolarHBondContact O-N 2.04Å; Q210-K212 HydrophobicContact CB-CG 4.45Å; Q210-K212 PolarHBondContact O-N 2.81Å; Q210-K212 VanDerWaalsContact O-N 3.1Å
213R93.3Very high83.1Confident151 Ų15163 Ų6357%0.5736%0.361SS*.EExtended strand (participates in β ladder)trans-145.3145.6-174.263.7-178.1161.2-167.6-7.2113.6C206 L207C206-R213 CarbonylContact O-C 3.59Å; C206-R213 WeakPolarHBondContact O-CA 3.49Å; L207-R213 HydrophobicContact CD2-CB 3.76Å
214F95Very high80.7Confident26 Ų2668.1 Ų68.111%0.11438%0.383CS..EExtended strand (participates in β ladder)trans-114142.1169.4-68.7-87.6000109.4I30 L130 G132 R205 C206 M208 F216I30-F214 HydrophobicContact CB-CZ 4.35Å; I30-F214 HydrophobicContact CG1-CE2 4.43Å; I30-F214 HydrophobicContact CG1-CZ 4.15Å; I30-F214 HydrophobicContact CG2-CE1 3.82Å; I30-F214 HydrophobicContact CG2-CZ 3.69Å; L130-F214 HydrophobicContact CB-CE2 3.87Å; L130-F214 HydrophobicContact CB-CZ 4.02Å; L130-F214 WeakPolarHBondContact O-CZ 3.23Å; G132-F214 VanDerWaalsContact N-CE1 3.3Å; R205-F214 CarbonylContact C-O 3.48Å; R205-F214 WeakPolarHBondContact CA-O 3.4Å; C206-F214 PolarHBondContact N-O 2.79Å; C206-F214 PolarHBondContact O-N 2.85Å; M208-F214 HydrophobicContact CE-CD2 3.39Å; M208-F214 HydrophobicContact CE-CE2 3.11Å; M208-F214 HydrophobicContact CE-CZ 4.23Å; F214-F216 HydrophobicContact CB-CE2 3.88Å; F214-F216 HydrophobicContact CB-CZ 3.77Å
215S94Very high77.9Confident69 Ų6972.7 Ų72.748%0.48341%0.413SS..EExtended strand (participates in β ladder)trans-120.5128.7177.5-57.80000109.8I204I204-S215 WeakPolarHBondContact O-CA 3.47Å
216F93.6Very high75.1Confident12 Ų1273.8 Ų73.85%0.05343%0.433CS..EExtended strand (participates in β ladder)trans-117132.4-178-53.5-78.7000108.7Q134 L148 W163 N203 I204 C206 F214Q134-F216 HydrophobicContact CB-CD1 4.04Å; L148-F216 HydrophobicContact CB-CD2 4.21Å; L148-F216 HydrophobicContact CB-CE2 4.32Å; L148-F216 HydrophobicContact CB-CG 4.42Å; L148-F216 HydrophobicContact CD1-CB 3.84Å; L148-F216 HydrophobicContact CD1-CD2 3.92Å; L148-F216 HydrophobicContact CD1-CG 4.02Å; L148-F216 HydrophobicContact CD2-CB 3.69Å; L148-F216 HydrophobicContact CD2-CD1 3.96Å; L148-F216 HydrophobicContact CD2-CD2 4.32Å; L148-F216 HydrophobicContact CD2-CG 3.73Å; L148-F216 HydrophobicContact CG-CB 4.36Å; L148-F216 HydrophobicContact CG-CD2 4.38Å; L148-F216 HydrophobicContact CG-CG 4.27Å; W163-F216 HydrophobicContact CH2-CE2 4.06Å; W163-F216 HydrophobicContact CZ3-CD2 4.02Å; W163-F216 AromaticContact CZ3-CE2 3.68Å; W163-F216 HydrophobicContact CZ3-CE2 3.68Å; N203-F216 CarbonylContact C-O 3.55Å; N203-F216 WeakPolarHBondContact CA-O 3.47Å; I204-F216 PolarHBondContact N-O 2.81Å; I204-F216 PolarHBondContact O-N 2.83Å; C206-F216 HydrophobicContact CB-CE2 4.05Å; F214-F216 HydrophobicContact CB-CE2 3.88Å; F214-F216 HydrophobicContact CB-CZ 3.77Å
217S90.6Very high72.7Confident70 Ų7079.5 Ų79.549%0.4947%0.47SS..EExtended strand (participates in β ladder)trans-106.4111.7178-61.60000108.9
218L86.3Confident70.1Confident10 Ų1082.6 Ų82.65%0.05249%0.491CS..EExtended strand (participates in β ladder)trans-86.1124.5173.5-53.9-176.1000108.5L148 V187 P201 R202 I204L148-L218 HydrophobicContact CD1-CD2 4.46Å; L148-L218 HydrophobicContact CD2-CD2 4.1Å; V187-L218 HydrophobicContact CB-CD1 4.22Å; V187-L218 HydrophobicContact CG1-CD1 4.04Å; P201-L218 WeakPolarHBondContact CA-O 3.41Å; P201-L218 VanDerWaalsContact CB-O 3.31Å; P201-L218 WeakPolarHBondContact CB-O 3.38Å; R202-L218 HydrophobicContact CB-CB 4.22Å; R202-L218 PolarHBondContact N-O 3.23Å; R202-L218 VanDerWaalsContact N-O 3.17Å; R202-L218 PolarHBondContact O-N 2.95Å; I204-L218 HydrophobicContact CD1-CD1 3.55Å; I204-L218 HydrophobicContact CD1-CG 4.32Å; I204-L218 HydrophobicContact CG1-CD1 4.35Å
219A75.6Confident67.8Low91 Ų9188.7 Ų88.775%0.75253%0.529SS*.PPolyproline II helixtrans-61.6141.5170.100000109.3
220A61.9Low65.5Low48 Ų4893.1 Ų93.140%0.39756%0.559SS.*PPolyproline II helixtrans-60.6143.9165.300000108.2
221A55.3Low63.4Low60 Ų6091.5 Ų91.550%0.49656%0.564SS.*PPolyproline II helixtrans-52.4134.1170.600000107.9T223A221-T223 PolarHBondContact O-N 3.38Å; A221-T223 VanDerWaalsContact O-N 3.09Å
222P42.8Very low61.1Low117 Ų11790.2 Ų90.276%0.7656%0.564SS**PPolyproline II helixtrans-52.5125.9175-20.730.6000107.7E224P222-E224 PolarHBondContact O-N 2.67Å
223T41.8Very low58.7Low127 Ų12793.3 Ų93.378%0.77959%0.589SS**  trans-63.797158.2-43.50000104A221 P225A221-T223 PolarHBondContact O-N 3.38Å; A221-T223 VanDerWaalsContact O-N 3.09Å; T223-P225 VanDerWaalsContact O-N 3.12Å
224E39.6Very low56.8Low161 Ų16193 Ų9375%0.75259%0.594SS**  trans-42.9122.8159.3-86.3-90.5144.700105.5P222 S226P222-E224 PolarHBondContact O-N 2.67Å; E224-S226 PolarHBondContact O-N 2.92Å
225P35Very low54.5Low96 Ų9696.2 Ų96.262%0.62362%0.619SS**  trans-52.5126.6172.322.2-30000106T223 P227T223-P225 VanDerWaalsContact O-N 3.12Å; P225-P227 VanDerWaalsContact O-N 3.15Å
226S36.2Very low53Low104 Ų104102.2 Ų102.273%0.72763%0.632SS**  trans-35.8128.1169.3-38.20000107.1E224 T228E224-S226 PolarHBondContact O-N 2.92Å; S226-T228 VanDerWaalsContact C-N 3.32Å; S226-T228 PolarHBondContact O-N 2.92Å
227P41.7Very low51.4Low119 Ų119104.9 Ų104.977%0.77365%0.646SS**  trans-54.8103.4-16820.9-32.1000107.7P225 T229P225-P227 VanDerWaalsContact O-N 3.15Å; P227-T229 VanDerWaalsContact C-N 3.32Å; P227-T229 PolarHBondContact O-N 2.71Å
228T38.8Very low50.2Low119 Ų119105.8 Ų105.873%0.7365%0.649SS**  trans-54.5113161.8-6.20000101.9S226 C230S226-T228 VanDerWaalsContact C-N 3.32Å; S226-T228 PolarHBondContact O-N 2.92Å; T228-C230 VanDerWaalsContact C-N 3.31Å; T228-C230 PolarHBondContact O-N 2.78Å
229T44.1Very low49.3Very low134 Ų134109.3 Ų109.382%0.82267%0.672SS**  trans-34.4100.3-178.3-55.20000108.3P227 A231P227-T229 VanDerWaalsContact C-N 3.32Å; P227-T229 PolarHBondContact O-N 2.71Å; T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 3.46Å
230C41Very low49.1Very low111 Ų111112.8 Ų112.875%0.7567%0.666SS**  trans-61.5111.3170.1-75.50000103T228T228-C230 VanDerWaalsContact C-N 3.31Å; T228-C230 PolarHBondContact O-N 2.78Å
231A44.8Very low49.7Very low74 Ų74113.7 Ų113.761%0.61267%0.666SS**  trans-46.7130.2160.300000105.8T229 V233T229-A231 VanDerWaalsContact C-N 3.34Å; T229-A231 PolarHBondContact O-N 3.46Å; A231-V233 PolarHBondContact O-N 3.24Å
232P38.7Very low50.7Low123 Ų123116.1 Ų116.180%0.79967%0.67SS**  trans-60.3106.9-17524.2-30.9000106.8Q234P232-Q234 PolarHBondContact O-N 2.92Å
233V43Very low52.4Low137 Ų137115.7 Ų115.783%0.8366%0.66SS**  trans-66.9101.5162.1177.90000103.1A231 S235A231-V233 PolarHBondContact O-N 3.24Å; V233-S235 VanDerWaalsContact C-N 3.26Å; V233-S235 PolarHBondContact O-N 2.77Å
234Q52.3Low54.2Low146 Ų146115.2 Ų115.268%0.68265%0.653SS**  trans-55.195.3176.2-167.2167.221.500106.8P232 W236P232-Q234 PolarHBondContact O-N 2.92Å; Q234-W236 VanDerWaalsContact C-N 3.32Å; Q234-W236 VanDerWaalsContact O-CD1 3.27Å; Q234-W236 PolarHBondContact O-N 2.91Å
235S48.4Very low56.3Low92 Ų92113.1 Ų113.164%0.64365%0.646SS**  trans-63.7102.6170.959.80000105V233 D237V233-S235 VanDerWaalsContact C-N 3.26Å; V233-S235 PolarHBondContact O-N 2.77Å; S235-D237 PolarHBondContact O-N 2.71Å
236W60.8Low58.5Low196 Ų196115.2 Ų115.274%0.74265%0.645SS**  trans-58.4113.2172-75.179.9000106.2Q234 V238Q234-W236 VanDerWaalsContact C-N 3.32Å; Q234-W236 VanDerWaalsContact O-CD1 3.27Å; Q234-W236 PolarHBondContact O-N 2.91Å; W236-V238 PolarHBondContact O-N 2.97Å
237D60.1Low60.6Low67 Ų67114.1 Ų114.136%0.35863%0.634SS.*  trans-67.971.2174.5-76.6-44.1000108.4S235 P239 R240 V241S235-D237 PolarHBondContact O-N 2.71Å; D237-P239 VanDerWaalsContact O-N 3.16Å; D237-R240 HydrophobicContact CB-CB 3.69Å; D237-R240 HydrophobicContact CB-CG 3.78Å; D237-R240 WeakPolarHBondContact O-CA 3.39Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R240 WeakPolarHBondContact OD2-CD 3.36Å; D237-R240 IonicContact OD2-CZ 3.5Å; D237-R240 IonicContact OD2-NE 3.7Å; D237-R240 IonicContact OD2-NH1 2.71Å; D237-R240 PolarHBondContact OD2-NH1 2.71Å; D237-V241 PolarHBondContact O-N 2.91Å
238V67Low62.5Low89 Ų89111.3 Ų111.354%0.53962%0.621SS.*Hα-helixtrans-47.5-38.4172-179.50000110.9W236 L242W236-V238 PolarHBondContact O-N 2.97Å; V238-L242 HydrophobicContact CG1-CD1 4Å; V238-L242 WeakPolarHBondContact O-CB 3.49Å; V238-L242 VanDerWaalsContact O-CG 3.29Å; V238-L242 WeakPolarHBondContact O-CG 3.29Å; V238-L242 PolarHBondContact O-N 2.94Å
239P67.5Low64.4Low84 Ų84107.4 Ų107.455%0.54561%0.605SS.*Hα-helixtrans-65-39.4173.9-19.432.4000113.4D237 L242 I243D237-P239 VanDerWaalsContact O-N 3.16Å; P239-L242 PolarHBondContact O-N 2.87Å; P239-I243 WeakPolarHBondContact O-CD1 3.46Å; P239-I243 WeakPolarHBondContact O-CG1 3.38Å; P239-I243 PolarHBondContact O-N 3.35Å
240R70.1Confident66.4Low164 Ų164105.5 Ų105.562%0.61959%0.586SS**Hα-helixtrans-71.7-37.6178.9-69.6-174.8174.9153.5-10.4112D237 L242 I243 L244D237-R240 HydrophobicContact CB-CB 3.69Å; D237-R240 HydrophobicContact CB-CG 3.78Å; D237-R240 WeakPolarHBondContact O-CA 3.39Å; D237-R240 PolarHBondContact O-N 2.99Å; D237-R240 WeakPolarHBondContact OD2-CD 3.36Å; D237-R240 IonicContact OD2-CZ 3.5Å; D237-R240 IonicContact OD2-NE 3.7Å; D237-R240 IonicContact OD2-NH1 2.71Å; D237-R240 PolarHBondContact OD2-NH1 2.71Å; R240-L242 VanDerWaalsContact C-N 3.34Å; R240-I243 PolarHBondContact O-N 2.97Å; R240-L244 WeakPolarHBondContact O-CB 3.2Å; R240-L244 WeakPolarHBondContact O-CG 3.36Å; R240-L244 PolarHBondContact O-N 3.42Å
241V75.6Confident68.3Low68 Ų68101.6 Ų101.641%0.41257%0.565SS.*Hα-helixtrans-64.2-41.9174.4177.50000110.4D237 L244 L245D237-V241 PolarHBondContact O-N 2.91Å; V241-L244 PolarHBondContact O-N 2.9Å; V241-L245 HydrophobicContact CG1-CD1 3.99Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CB 3.46Å; V241-L245 WeakPolarHBondContact O-CG 3.35Å; V241-L245 PolarHBondContact O-N 2.9Å
242L76.3Confident70.2Confident110 Ų110102.4 Ų102.458%0.57656%0.563SS**Hα-helixtrans-63.2-42.1174.6-77.2166.8000112.3V238 P239 R240 L245 F246V238-L242 HydrophobicContact CG1-CD1 4Å; V238-L242 WeakPolarHBondContact O-CB 3.49Å; V238-L242 VanDerWaalsContact O-CG 3.29Å; V238-L242 WeakPolarHBondContact O-CG 3.29Å; V238-L242 PolarHBondContact O-N 2.94Å; P239-L242 PolarHBondContact O-N 2.87Å; R240-L242 VanDerWaalsContact C-N 3.34Å; L242-L245 PolarHBondContact O-N 2.96Å; L242-F246 WeakPolarHBondContact O-CB 3.43Å; L242-F246 PolarHBondContact O-N 3.34Å
243I78.4Confident72.2Confident108 Ų10899.9 Ų99.955%0.55455%0.545SS*.Hα-helixtrans-63.4-42.8175.8-69.2163.5000110.9P239 R240 F246 T247P239-I243 WeakPolarHBondContact O-CD1 3.46Å; P239-I243 WeakPolarHBondContact O-CG1 3.38Å; P239-I243 PolarHBondContact O-N 3.35Å; R240-I243 PolarHBondContact O-N 2.97Å; I243-F246 PolarHBondContact O-N 3.45Å; I243-T247 HydrophobicContact CG2-CG2 4.4Å; I243-T247 WeakPolarHBondContact O-CB 3.48Å; I243-T247 VanDerWaalsContact O-CG2 3.3Å; I243-T247 WeakPolarHBondContact O-CG2 3.27Å; I243-T247 PolarHBondContact O-N 2.9Å; I243-T247 PolarHBondContact O-OG1 3.31Å
244L79.4Confident74.2Confident118 Ų11898.1 Ų98.162%0.61853%0.53SS*.Hα-helixtrans-65.3-42.2177.3-76.5168.2000112.3R240 V241 T247 A248R240-L244 WeakPolarHBondContact O-CB 3.2Å; R240-L244 WeakPolarHBondContact O-CG 3.36Å; R240-L244 PolarHBondContact O-N 3.42Å; V241-L244 PolarHBondContact O-N 2.9Å; L244-T247 WeakPolarHBondContact CA-OG1 3.38Å; L244-T247 PolarHBondContact O-N 3.5Å; L244-T247 PolarHBondContact O-OG1 2.88Å; L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 2.92Å
245L82.3Confident75.8Confident116 Ų11696 Ų9661%0.60752%0.522SS*.Hα-helixtrans-64.9-39.8175.1-74.8168.3000111.9V241 L242 G249V241-L245 HydrophobicContact CG1-CD1 3.99Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CB 3.46Å; V241-L245 WeakPolarHBondContact O-CG 3.35Å; V241-L245 PolarHBondContact O-N 2.9Å; L242-L245 PolarHBondContact O-N 2.96Å; L245-G249 PolarHBondContact O-N 2.93Å
246F82.5Confident77.5Confident140 Ų14095.5 Ų95.561%0.61452%0.515SS*.Hα-helixtrans-67.3-44.8178.3-160.1-95000111.4L242 I243 G249 Q250L242-F246 WeakPolarHBondContact O-CB 3.43Å; L242-F246 PolarHBondContact O-N 3.34Å; I243-F246 PolarHBondContact O-N 3.45Å; F246-G249 PolarHBondContact O-N 3.04Å; F246-Q250 HydrophobicContact CD1-CG 4Å; F246-Q250 HydrophobicContact CE1-CG 3.9Å; F246-Q250 VanDerWaalsContact O-CG 3.25Å; F246-Q250 WeakPolarHBondContact O-CG 3.3Å; F246-Q250 PolarHBondContact O-N 2.92Å
247T79.4Confident78.7Confident81 Ų8191.2 Ų91.250%0.49751%0.506SS..Hα-helixtrans-64.8-41.6176.951.60000112.3I243 L244 Q250 G251I243-T247 HydrophobicContact CG2-CG2 4.4Å; I243-T247 WeakPolarHBondContact O-CB 3.48Å; I243-T247 VanDerWaalsContact O-CG2 3.3Å; I243-T247 WeakPolarHBondContact O-CG2 3.27Å; I243-T247 PolarHBondContact O-N 2.9Å; I243-T247 PolarHBondContact O-OG1 3.31Å; L244-T247 WeakPolarHBondContact CA-OG1 3.38Å; L244-T247 PolarHBondContact O-N 3.5Å; L244-T247 PolarHBondContact O-OG1 2.88Å; T247-Q250 PolarHBondContact O-N 3.37Å; T247-G251 PolarHBondContact O-N 3.48Å
248A81.1Confident79.6Confident60 Ų6090.9 Ų90.950%0.49651%0.509SS..Hα-helixtrans-63.2-42.8173.700000111.8L244 G251 V252L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 2.92Å; A248-G251 PolarHBondContact O-N 3.43Å; A248-V252 WeakPolarHBondContact O-CG2 3.44Å; A248-V252 PolarHBondContact O-N 3.12Å
249G80.2Confident80.3Confident37 Ų3791.2 Ų91.238%0.38151%0.506SS..Hα-helixtrans-60.4-44.9176.100000112.8L245 F246 G251 V252 T253L245-G249 PolarHBondContact O-N 2.93Å; F246-G249 PolarHBondContact O-N 3.04Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 3.39Å; G249-V252 PolarHBondContact O-N 3.07Å; G249-T253 PolarHBondContact O-N 3.34Å; G249-T253 VanDerWaalsContact O-N 3.12Å; G249-T253 PolarHBondContact O-OG1 3.21Å
250Q85.5Confident81.1Confident94 Ų9490.5 Ų90.544%0.43950%0.5SS..Hα-helixtrans-64-36.8174.9-66.2-68.1-21.200112F246 T247 T253 I254F246-Q250 HydrophobicContact CD1-CG 4Å; F246-Q250 HydrophobicContact CE1-CG 3.9Å; F246-Q250 VanDerWaalsContact O-CG 3.25Å; F246-Q250 WeakPolarHBondContact O-CG 3.3Å; F246-Q250 PolarHBondContact O-N 2.92Å; T247-Q250 PolarHBondContact O-N 3.37Å; Q250-T253 WeakPolarHBondContact CA-OG1 3.46Å; Q250-T253 PolarHBondContact O-OG1 2.99Å; Q250-I254 WeakPolarHBondContact O-CD1 3.32Å; Q250-I254 WeakPolarHBondContact O-CG1 3.22Å; Q250-I254 PolarHBondContact O-N 3.29Å; Q250-I254 VanDerWaalsContact O-N 3.12Å
251G80.4Confident81.6Confident30 Ų3087.6 Ų87.631%0.30950%0.497SS..Hα-helixtrans-62.4-44.6174.900000112.6T247 A248 G249 I254 I255T247-G251 PolarHBondContact O-N 3.48Å; A248-G251 PolarHBondContact O-N 3.43Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 3.39Å; G251-I254 PolarHBondContact O-N 3.39Å; G251-I255 VanDerWaalsContact O-CG1 3.32Å; G251-I255 WeakPolarHBondContact O-CG1 3.31Å; G251-I255 PolarHBondContact O-N 3.39Å
252V84.4Confident81.6Confident91 Ų9188.4 Ų88.455%0.55251%0.505SS*.Hα-helixtrans-64.8-42.4179.1174.40000111.4A248 G249 I254 I255 V256A248-V252 WeakPolarHBondContact O-CG2 3.44Å; A248-V252 PolarHBondContact O-N 3.12Å; G249-V252 PolarHBondContact O-N 3.07Å; V252-I254 PolarHBondContact O-N 3.12Å; V252-I255 PolarHBondContact O-N 2.97Å; V252-V256 HydrophobicContact CG1-CG2 4.38Å; V252-V256 WeakPolarHBondContact O-CG2 3.33Å; V252-V256 PolarHBondContact O-N 2.74Å
253T82Confident81.6Confident69 Ų6992 Ų9242%0.42351%0.51SS..Hα-helixtrans-64-40.3178.153.90000112G249 Q250 I255 V256 L257G249-T253 PolarHBondContact O-N 3.34Å; G249-T253 VanDerWaalsContact O-N 3.12Å; G249-T253 PolarHBondContact O-OG1 3.21Å; Q250-T253 WeakPolarHBondContact CA-OG1 3.46Å; Q250-T253 PolarHBondContact O-OG1 2.99Å; T253-I255 PolarHBondContact O-N 2.92Å; T253-V256 PolarHBondContact O-N 2.87Å; T253-L257 WeakPolarHBondContact O-CB 3.43Å; T253-L257 VanDerWaalsContact O-CG 3.31Å; T253-L257 WeakPolarHBondContact O-CG 3.32Å; T253-L257 PolarHBondContact O-N 3.5Å
254I85.2Confident81.3Confident101 Ų10195.1 Ų95.152%0.51852%0.515SS..Hα-helixtrans-61.9-43.6175.6-68.4166.9000111.1Q250 G251 V252 L257 S258Q250-I254 WeakPolarHBondContact O-CD1 3.32Å; Q250-I254 WeakPolarHBondContact O-CG1 3.22Å; Q250-I254 PolarHBondContact O-N 3.29Å; Q250-I254 VanDerWaalsContact O-N 3.12Å; G251-I254 PolarHBondContact O-N 3.39Å; V252-I254 PolarHBondContact O-N 3.12Å; I254-L257 PolarHBondContact O-N 3.47Å; I254-S258 WeakPolarHBondContact O-CB 3.22Å; I254-S258 PolarHBondContact O-N 2.88Å; I254-S258 PolarHBondContact O-OG 3.34Å
255I85Confident80.8Confident102 Ų10299 Ų9952%0.52352%0.522SS..Hα-helixtrans-64.2-45.7178.8-68.6168.4000110.6G251 V252 T253 L257 S258 I259G251-I255 VanDerWaalsContact O-CG1 3.32Å; G251-I255 WeakPolarHBondContact O-CG1 3.31Å; G251-I255 PolarHBondContact O-N 3.39Å; V252-I255 PolarHBondContact O-N 2.97Å; T253-I255 PolarHBondContact O-N 2.92Å; I255-L257 PolarHBondContact O-N 3.27Å; I255-S258 WeakPolarHBondContact O-CB 3.32Å; I255-S258 PolarHBondContact O-N 3.21Å; I255-I259 HydrophobicContact CG2-CD1 3.86Å; I255-I259 HydrophobicContact CG2-CG1 4.48Å; I255-I259 WeakPolarHBondContact O-CG1 3.31Å; I255-I259 PolarHBondContact O-N 3.48Å
256V85.3Confident80Confident80 Ų8096.2 Ų96.249%0.48552%0.515SS..Hα-helixtrans-61.5-46.2178.11720000110.9V252 T253 S258 I259 V260V252-V256 HydrophobicContact CG1-CG2 4.38Å; V252-V256 WeakPolarHBondContact O-CG2 3.33Å; V252-V256 PolarHBondContact O-N 2.74Å; T253-V256 PolarHBondContact O-N 2.87Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 2.84Å; V256-I259 PolarHBondContact O-N 2.89Å; V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.31Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 3.44Å
257L85.3Confident78.8Confident107 Ų10796 Ų9656%0.5652%0.516SS*.Hα-helixtrans-61.1-40.6175.8-74.6169.5000111.8T253 I254 I255 V260 L261T253-L257 WeakPolarHBondContact O-CB 3.43Å; T253-L257 VanDerWaalsContact O-CG 3.31Å; T253-L257 WeakPolarHBondContact O-CG 3.32Å; T253-L257 PolarHBondContact O-N 3.5Å; I254-L257 PolarHBondContact O-N 3.47Å; I255-L257 PolarHBondContact O-N 3.27Å; L257-V260 PolarHBondContact O-N 2.89Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 WeakPolarHBondContact O-CG 3.34Å; L257-L261 PolarHBondContact O-N 3.43Å
258S79Confident77.7Confident60 Ų6095.5 Ų95.542%0.4252%0.52SS..Hα-helixtrans-63.6-42.2176.7-59.30000111.8I254 I255 V256 L261 C262I254-S258 WeakPolarHBondContact O-CB 3.22Å; I254-S258 PolarHBondContact O-N 2.88Å; I254-S258 PolarHBondContact O-OG 3.34Å; I255-S258 WeakPolarHBondContact O-CB 3.32Å; I255-S258 PolarHBondContact O-N 3.21Å; V256-S258 VanDerWaalsContact C-N 3.31Å; V256-S258 PolarHBondContact O-N 2.84Å; S258-L261 PolarHBondContact O-N 3.3Å; S258-C262 WeakPolarHBondContact O-CB 3.47Å; S258-C262 PolarHBondContact O-N 3.37Å
259I82.3Confident76.4Confident95 Ų9596.6 Ų96.649%0.48752%0.524SS..Hα-helixtrans-65.6-44.3175.6-67167.3000110.5I255 V256 L261 C262 R263I255-I259 HydrophobicContact CG2-CD1 3.86Å; I255-I259 HydrophobicContact CG2-CG1 4.48Å; I255-I259 WeakPolarHBondContact O-CG1 3.31Å; I255-I259 PolarHBondContact O-N 3.48Å; V256-I259 PolarHBondContact O-N 2.89Å; I259-L261 VanDerWaalsContact C-N 3.35Å; I259-L261 PolarHBondContact O-N 3.44Å; I259-C262 PolarHBondContact O-N 2.83Å; I259-R263 HydrophobicContact CG2-CG 4.39Å; I259-R263 WeakPolarHBondContact O-CB 3.45Å; I259-R263 WeakPolarHBondContact O-CG 3.37Å; I259-R263 PolarHBondContact O-N 3.31Å
260V83.3Confident74.9Confident69 Ų69105.6 Ų105.642%0.41855%0.546SS..Hα-helixtrans-62.3-43.2177.7170.90000110.9V256 L257 R263 R264V256-V260 HydrophobicContact CG1-CG2 4.44Å; V256-V260 VanDerWaalsContact O-CG2 3.31Å; V256-V260 WeakPolarHBondContact O-CG2 3.4Å; V256-V260 PolarHBondContact O-N 3.44Å; L257-V260 PolarHBondContact O-N 2.89Å; V260-R263 PolarHBondContact O-N 2.87Å; V260-R264 WeakPolarHBondContact O-CB 3.32Å; V260-R264 WeakPolarHBondContact O-CG 3.34Å; V260-R264 PolarHBondContact O-N 2.84Å
261L80.8Confident73.1Confident103 Ų103108.5 Ų108.554%0.53957%0.565SS.*Hα-helixtrans-65.7-40.5176-72.4171.7000111.9L257 S258 I259 R264 R265L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 WeakPolarHBondContact O-CG 3.34Å; L257-L261 PolarHBondContact O-N 3.43Å; S258-L261 PolarHBondContact O-N 3.3Å; I259-L261 VanDerWaalsContact C-N 3.35Å; I259-L261 PolarHBondContact O-N 3.44Å; L261-R264 PolarHBondContact O-N 3.48Å; L261-R265 WeakPolarHBondContact O-CB 3.5Å; L261-R265 WeakPolarHBondContact O-CG 3.44Å; L261-R265 PolarHBondContact O-N 3.36Å
262C75.6Confident71.6Confident86 Ų86117.4 Ų117.458%0.58159%0.589SS**Hα-helixtrans-63.4-42.3173.5-90.60000112S258 I259 R265 A266S258-C262 WeakPolarHBondContact O-CB 3.47Å; S258-C262 PolarHBondContact O-N 3.37Å; I259-C262 PolarHBondContact O-N 2.83Å; C262-R265 PolarHBondContact O-N 2.88Å; C262-A266 WeakPolarHBondContact O-CB 3.47Å; C262-A266 PolarHBondContact O-N 2.86Å
263R75.8Confident69.2Low185 Ų185121.3 Ų121.370%0.69860%0.601SS**Hα-helixtrans-67.1-39.2176.6-70.8-171.3111.6-174.14112I259 V260 A266 Q267I259-R263 HydrophobicContact CG2-CG 4.39Å; I259-R263 WeakPolarHBondContact O-CB 3.45Å; I259-R263 WeakPolarHBondContact O-CG 3.37Å; I259-R263 PolarHBondContact O-N 3.31Å; V260-R263 PolarHBondContact O-N 2.87Å; R263-A266 PolarHBondContact O-N 3.26Å; R263-Q267 WeakPolarHBondContact O-CB 3.46Å; R263-Q267 WeakPolarHBondContact O-CG 3.48Å; R263-Q267 PolarHBondContact O-N 2.88Å; R263-Q267 PolarHBondContact O-OE1 3.3Å
264R72.9Confident67.4Low173 Ų173122.3 Ų122.365%0.65361%0.609SS**Hα-helixtrans-62.8-41.6171.8-80.3-170.9177.7-1610.8112.1V260 L261 Q267 A268V260-R264 WeakPolarHBondContact O-CB 3.32Å; V260-R264 WeakPolarHBondContact O-CG 3.34Å; V260-R264 PolarHBondContact O-N 2.84Å; L261-R264 PolarHBondContact O-N 3.48Å; R264-Q267 PolarHBondContact O-N 3.47Å; R264-A268 WeakPolarHBondContact O-CB 3.44Å; R264-A268 PolarHBondContact O-N 3.42Å
265R68.6Low65Low201 Ų201123.3 Ų123.376%0.75863%0.625SS**Hα-helixtrans-65.4-40.4174.6-80.1-174.6-179.3175.51.3112.3L261 C262 Q267 A268 S269L261-R265 WeakPolarHBondContact O-CB 3.5Å; L261-R265 WeakPolarHBondContact O-CG 3.44Å; L261-R265 PolarHBondContact O-N 3.36Å; C262-R265 PolarHBondContact O-N 2.88Å; R265-Q267 VanDerWaalsContact C-N 3.3Å; R265-Q267 PolarHBondContact O-N 2.92Å; R265-A268 PolarHBondContact O-N 3.35Å; R265-S269 WeakPolarHBondContact O-CB 3.36Å; R265-S269 PolarHBondContact O-N 3.38Å; R265-S269 PolarHBondContact O-OG 2.87Å
266A64.7Low62.9Low56 Ų56125.8 Ų125.846%0.46364%0.638SS.*Hα-helixtrans-67.9-28.9176.200000113C262 R263 S269 R270C262-A266 WeakPolarHBondContact O-CB 3.47Å; C262-A266 PolarHBondContact O-N 2.86Å; R263-A266 PolarHBondContact O-N 3.26Å; A266-S269 WeakPolarHBondContact CA-OG 3.48Å; A266-S269 PolarHBondContact O-OG 3.17Å; A266-S269 VanDerWaalsContact O-OG 3.12Å; A266-R270 PolarHBondContact O-N 3.12Å
267Q58.4Low60.9Low137 Ų137127.8 Ų127.864%0.6465%0.652SS**Hα-helixtrans-75.8-41170.7-79.2166-38.200111.7R263 R264 R265 S269 R270R263-Q267 WeakPolarHBondContact O-CB 3.46Å; R263-Q267 WeakPolarHBondContact O-CG 3.48Å; R263-Q267 PolarHBondContact O-N 2.88Å; R263-Q267 PolarHBondContact O-OE1 3.3Å; R264-Q267 PolarHBondContact O-N 3.47Å; R265-Q267 VanDerWaalsContact C-N 3.3Å; R265-Q267 PolarHBondContact O-N 2.92Å; Q267-S269 VanDerWaalsContact C-N 3.29Å; Q267-S269 PolarHBondContact O-N 3.43Å; Q267-R270 PolarHBondContact O-N 3.42Å
268A55.9Low58.4Low70 Ų70130.8 Ų130.858%0.57966%0.663SS**Hα-helixtrans-66.3-28.7175.200000113.1R264 R265R264-A268 WeakPolarHBondContact O-CB 3.44Å; R264-A268 PolarHBondContact O-N 3.42Å; R265-A268 PolarHBondContact O-N 3.35Å
269S52.9Low56.3Low82 Ų82136.4 Ų136.457%0.57368%0.68SS**G310 helixtrans-82.8-10.7174.468.10000113.7R265 A266 Q267 D271R265-S269 WeakPolarHBondContact O-CB 3.36Å; R265-S269 PolarHBondContact O-N 3.38Å; R265-S269 PolarHBondContact O-OG 2.87Å; A266-S269 WeakPolarHBondContact CA-OG 3.48Å; A266-S269 PolarHBondContact O-OG 3.17Å; A266-S269 VanDerWaalsContact O-OG 3.12Å; Q267-S269 VanDerWaalsContact C-N 3.29Å; Q267-S269 PolarHBondContact O-N 3.43Å; S269-D271 VanDerWaalsContact C-N 3.32Å
270R49.3Very low53.9Low227 Ų227141 Ų14186%0.85770%0.697SS**G310 helixtrans-84.9-8.9177.6-134.1176.5-173.8174.91.3113.2A266 Q267A266-R270 PolarHBondContact O-N 3.12Å; Q267-R270 PolarHBondContact O-N 3.42Å
271D49Very low52.6Low154 Ų154142 Ų14282%0.82471%0.705SS**G310 helixtrans-108.813.9-178.7-123.81.3000113S269S269-D271 VanDerWaalsContact C-N 3.32Å
272R48.4Very low50.5Low218 Ų218145.7 Ų145.782%0.82372%0.719SS**  trans-149.696.1179.6-147.9161.7-175.2130.5-1.2113.6
273E33.8Very low48.9Very low172 Ų172147.6 Ų147.680%0.80473%0.728SS**  trans-114153.9160.4-156.457.1-118.700106.4
274P45Very low47.2Very low91 Ų91147 Ų14759%0.59173%0.733SS**  -123.4168.6-79.135.7-17.1000111.5
275S33.2Very low45.6Very low122 Ų122144.9 Ų144.985%0.85374%0.739SS**  trans-150.9119.1153.213.40000110.2
276I40.8Very low44.2Very low154 Ų154144 Ų14479%0.7974%0.737SS**  trans-78.9141176.5-62.1160.7000108.5
277P44Very low43.2Very low121 Ų121147.1 Ų147.179%0.78674%0.742SS**  -139.8130.4104.922.2-0.8000111.7
278H32.2Very low42.2Very low171 Ų171145.8 Ų145.879%0.79274%0.739SS**  106108.577.4-164.563.7000109
279F36.7Very low41.8Very low178 Ų178148.3 Ų148.378%0.78174%0.742SS**  trans-95.8136.9-175-161.5-93.5000108.5P281F279-P281 HydrophobicContact CD1-CB 4.48Å; F279-P281 HydrophobicContact CE1-CB 3.94Å; F279-P281 HydrophobicContact CE1-CG 4.48Å
280K30Very low41.3Very low192 Ų192151.9 Ų151.984%0.83575%0.749SS**  trans-150138.9151-156.2168.2-177.7-1750111
281P57.1Low41.4Very low89 Ų89148.2 Ų148.258%0.57875%0.745SS**  trans-111.2-160.4-156.540.7-26.9000112.8F279F279-P281 HydrophobicContact CD1-CB 4.48Å; F279-P281 HydrophobicContact CE1-CB 3.94Å; F279-P281 HydrophobicContact CE1-CG 4.48Å
282E36.8Very low41Very low180 Ų180144.5 Ų144.584%0.84174%0.736SS**  trans109.697.2162.2-147.8155-14500113
283V42.3Very low40.7Very low127 Ų127145.5 Ų145.577%0.7774%0.74SS**  77130.863.7-172.40000113.9
284Q39Very low41Very low171 Ų171145.9 Ų145.980%0.79975%0.746SS**  trans98.7111.4162.4-53.9-169.8-37.800115.8
285V40.4Very low40.7Very low129 Ų129144.7 Ų144.778%0.78275%0.751SS**  54.6109.765.6-171.70000108.1
286Y39.1Very low42Very low182 Ų182144.7 Ų144.771%0.71475%0.748SS**  -172.3163.154.8-153.3-135.6000110.1
287E42.3Very low42.4Very low123 Ų123143.2 Ų143.258%0.57575%0.748SS**  trans55.4133.9142.6-94.1-174.1175.800119.5
288N38.6Very low42.6Very low109 Ų109143.2 Ų143.258%0.58375%0.747SS**  155.2138.959.7-120-16.7000102.4
289I48.1Very low42.8Very low122 Ų122142.6 Ų142.663%0.62674%0.744SS**  162.3130.178.1-103.8150.9000105.9
290H42.5Very low43Very low157 Ų157141.9 Ų141.973%0.72774%0.74SS**  trans61.9141.6138.7-58.2-137000119.1
291L50.2Low43.4Very low150 Ų150139 Ų13979%0.78574%0.739SS**  cis-148.9130.715.5-91.1113.7000106.6
292A40.5Very low42.8Very low76 Ų76149.9 Ų149.963%0.62877%0.769SS**  59.110290.300000113.6
293R42.9Very low43.1Very low240 Ų240148.4 Ų148.491%0.90677%0.765SS**  88.1124.398.6-87.9-173.9176.5179.70.3112.6
294L39.8Very low43.2Very low179 Ų179149.5 Ų149.594%0.93777%0.765SS**  -165.4130.7122.5-97.5156.2000108.9
295G39Very low43.4Very low67 Ų67148.3 Ų148.369%0.69176%0.763SS**  trans-90.8-154.3177.300000112.9
296P60.8Low43.6Very low122 Ų122149.5 Ų149.579%0.79276%0.762SS**  trans-96.3-171.4-132.242.6-38.4000113.3
297P48.8Very low43.8Very low122 Ų122147.4 Ų147.479%0.79277%0.765SS**  -151.8172.387.137.9-17.2000117.3
298T46.9Very low44Very low122 Ų122149.1 Ų149.175%0.74878%0.777SS**  trans-70.2161177.349.50000116.7
299H37.7Very low44.3Very low157 Ų157151.9 Ų151.973%0.72779%0.791SS**  106.1133.2129.4-130.7-60.2000121.6
300K40.1Very low44.1Very low164 Ų164154.2 Ų154.271%0.71380%0.804SS**  trans92.8111142-108.4150.5-165.4-166.50121.2
301T38.5Very low44.2Very low132 Ų132154 Ų15481%0.8181%0.81SS**  45.4127.1128.8520000121.3
302R45.1Very low43.6Very low317 Ų317154.4 Ų154.4100%1.19681%0.813SS**  -1440118.2-166.6176.3-158.7173.75.9109.6

Retrieved 302 of 302 residues in 135.5 ms (Link to these results)