A0A077Z8S5_TRITR Loading...

Sybindin family protein

AlphaFold DB , UniProt , Accession A0A077Z8S5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 530 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
1M39.8Very low32.7Very low247 Ų247156.4 Ų156.4100%1.21779%0.785SS**  0105.70-80.3179.3173.900108.7
2V33.6Very low32.8Very low135 Ų135160.6 Ų160.682%0.81880%0.795SS**  trans-89.5119.1-175.5-179.30000108.2
3K34.3Very low32.8Very low212 Ų212160.5 Ų160.592%0.92280%0.798SS**  trans-121.8122.2166.3-91.5-175.8176.6177.90110
4R33.5Very low33.1Very low226 Ų226155.3 Ų155.385%0.85378%0.779SS**PPolyproline II helixtrans-72.5166.5-162.8-77.5-179.9178.2-174.9-1.1114.4
5P34.9Very low32.9Very low119 Ų119149.5 Ų149.577%0.77378%0.775SS**PPolyproline II helixtrans-84.3160.5-168.934.9-33000113.6
6Y29.6Very low32.7Very low189 Ų189153.4 Ų153.474%0.74178%0.776SS**PPolyproline II helixtrans-66.5133.8178.4-58.8-93.9000111.9
7L27.8Very low32.7Very low155 Ų155152.9 Ų152.981%0.81278%0.775SS**  trans-132.9122171.9-158.182.9000108.8
8C28.9Very low32.3Very low86 Ų86150.3 Ų150.358%0.58177%0.771SS**  trans-106.7129.6172.5-74.60000109.5
9I33Very low32.3Very low152 Ų152148.6 Ų148.678%0.77976%0.763SS**  trans-112.1126172.4-58.8175.3000107
10V34.3Very low32.2Very low112 Ų112149.1 Ų149.168%0.67976%0.762SS**  trans-83.1119.7178.5179.20000109
11D30.4Very low32.1Very low87 Ų87145.1 Ų145.147%0.46576%0.758SS.*  trans-84.1119.4169.1-175.31.6000110L13 T14D11-L13 PolarHBondContact O-N 3.5Å; D11-L13 PolarHBondContact OD1-N 3.46Å; D11-L13 VanDerWaalsContact OD1-N 3.17Å; D11-T14 PolarHBondContact OD2-OG1 3.13Å
12K33.8Very low31.6Very low207 Ų207142 Ų14290%0.975%0.746SS**THydrogen-bonded Turntrans-72.5-8.6-176.9-82.6-174175.3-178.90114
13L32.1Very low31.8Very low160 Ų160145.7 Ų145.784%0.83875%0.746SS**THydrogen-bonded Turntrans-104.7-9.5-172.7-77.3156.7000114.8D11D11-L13 PolarHBondContact O-N 3.5Å; D11-L13 PolarHBondContact OD1-N 3.46Å; D11-L13 VanDerWaalsContact OD1-N 3.17Å
14T37.8Very low31.8Very low87 Ų87141.2 Ų141.253%0.53473%0.731SS.*THydrogen-bonded Turntrans-133.2-6.6-172.557.20000116.3D11 R16D11-T14 PolarHBondContact OD2-OG1 3.13Å; T14-R16 PolarHBondContact O-N 2.87Å
15G30Very low32.1Very low69 Ų69134.5 Ų134.571%0.71172%0.718SS**  trans60.418.817200000115.8
16R29.9Very low33Very low211 Ų211134.6 Ų134.680%0.79671%0.712SS**  trans-105.1122.2179-71.3-175.4-177.3-174.32110.8T14T14-R16 PolarHBondContact O-N 2.87Å
17I32.8Very low34.3Very low146 Ų146127.3 Ų127.375%0.74969%0.687SS**  trans-99.7125167.9-59.7174000108.3
18C25.3Very low36.7Very low105 Ų105122.9 Ų122.971%0.70967%0.667SS**  trans-97.1134.4172.9-69.50000110.5
19L32.7Very low39.3Very low119 Ų119119.4 Ų119.462%0.62364%0.642SS**  trans-141.4117.2145.9-83.5176.4000110.1
20Q29.3Very low42Very low157 Ų157112.1 Ų112.173%0.73461%0.605SS**SBendtrans51.8108.4164.2-79.1-178.3-14.700120.7
21G30.5Very low44.5Very low67 Ų67106.8 Ų106.869%0.69157%0.573SS**SBendtrans92.471.1148.600000117R23G21-R23 PolarHBondContact O-N 3.35Å
22N30.2Very low47.2Very low181 Ų181104.7 Ų104.797%0.96856%0.563SS**SBendtrans32.217.8150.8-108.57.8000122.6
23R36.5Very low49.6Very low212 Ų21296.7 Ų96.780%0.853%0.53SS*.  trans-145.436.2-178.8-74.2-160.8-170.2178.27.7114.2G21 S25G21-R23 PolarHBondContact O-N 3.35Å; R23-S25 PolarHBondContact O-N 2.85Å
24I35Very low52Low119 Ų11990.3 Ų90.361%0.6150%0.496SS*.  trans-81.874.2166.2-50.7-178.8000108.2N26 V27I24-N26 PolarHBondContact O-N 3.41Å; I24-V27 HydrophobicContact CG2-CG2 3.95Å
25S38.8Very low54Low85 Ų8588.4 Ų88.459%0.59448%0.482SS*.  trans-73.3111.8160.847.70000107.8R23 V27R23-S25 PolarHBondContact O-N 2.85Å; S25-V27 PolarHBondContact O-N 2.01Å
26N54.1Low56.8Low120 Ų12087.9 Ų87.964%0.64246%0.46SS*.  trans20.169.8167.2-66.7-16.2000116.3I24 T28 Q195I24-N26 PolarHBondContact O-N 3.41Å; N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 3.22Å; N26-T28 PolarHBondContact O-OG1 3.5Å; N26-T28 VanDerWaalsContact O-OG1 3.11Å; N26-Q195 PolarHBondContact OD1-NE2 3.1Å; N26-Q195 VanDerWaalsContact OD1-NE2 3.09Å
27V58.1Low59.5Low36 Ų3681 Ų8122%0.21843%0.434CS..  trans-69.797.3177.1-1780000107.9I24 S25 Q67I24-V27 HydrophobicContact CG2-CG2 3.95Å; S25-V27 PolarHBondContact O-N 2.01Å; V27-Q67 HydrophobicContact CG1-CB 3.87Å
28T77.4Confident62Low63 Ų6376.6 Ų76.639%0.38742%0.416SS..  trans-89.5133.2178.8-42.80000107.2N26 W68N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 3.22Å; N26-T28 PolarHBondContact O-OG1 3.5Å; N26-T28 VanDerWaalsContact O-OG1 3.11Å; T28-W68 VanDerWaalsContact O-CD1 3.29Å; T28-W68 PolarHBondContact O-N 2.86Å; T28-W68 VanDerWaalsContact O-N 3.09Å
29L84.2Confident65Low12 Ų1273.6 Ų73.66%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-67.7154.6175.1-63.4173.9000110.2I52 L65 L166 V183 P193L29-I52 HydrophobicContact CD2-CD1 4.44Å; L29-L65 HydrophobicContact CB-CD1 4.06Å; L29-L65 HydrophobicContact CD1-CD1 4.32Å; L29-L65 HydrophobicContact CD1-CD2 4.48Å; L29-L65 HydrophobicContact CD2-CD1 4.34Å; L29-L65 HydrophobicContact CD2-CD2 4.26Å; L29-L65 HydrophobicContact CD2-CG 4.37Å; L29-L65 HydrophobicContact CG-CD1 4.47Å; L29-L166 HydrophobicContact CB-CD1 4Å; L29-V183 HydrophobicContact CD1-CG1 3.88Å; L29-P193 HydrophobicContact CD1-CG 4.29Å; L29-P193 HydrophobicContact CD2-CB 3.95Å
30C88.6Confident67.5Low0 Ų076.8 Ų76.80%040%0.395CS..EExtended strand (participates in β ladder)trans-146156.5179.956.30000110.9C49 G66 Q67 W68C30-C49 VanDerWaalsContact C-SG 3.6Å; C30-C49 HydrophobicContact CB-CB 3.81Å; C30-C49 WeakPolarHBondContact CB-SG 3.03Å; C30-C49 WeakPolarHBondContact SG-CA 2.82Å; C30-C49 WeakPolarHBondContact SG-CB 3.3Å; C30-C49 CovalentContact SG-SG 2.01Å; C30-C49 PolarHBondContact SG-SG 2.86Å; C30-G66 PolarHBondContact N-O 3.33Å; C30-G66 PolarHBondContact O-N 3.4Å; C30-Q67 PolarHBondContact SG-N 3.02Å; C30-Q67 VanDerWaalsContact SG-N 3.4Å; C30-W68 HydrophobicContact CB-CD2 3.84Å; C30-W68 HydrophobicContact CB-CG 4.01Å; C30-W68 HydrophobicContact CB-CZ2 3.75Å; C30-W68 VanDerWaalsContact CB-NE1 3.3Å; C30-W68 PolarHBondContact SG-N 2.99Å
31N87Confident70.2Confident0 Ų076.5 Ų76.50%040%0.398CS..EExtended strand (participates in β ladder)trans-82.3128.8168.1-176.6-30.1000108N33 E34 C49 D64 L124 Y134 L166N31-N33 PolarHBondContact O-N 2.98Å; N31-N33 WeakPolarHBondContact OD1-CB 3.4Å; N31-N33 PolarHBondContact OD1-N 3.05Å; N31-N33 PolarHBondContact OD1-ND2 3Å; N31-E34 HydrophobicContact CB-CG 4.05Å; N31-E34 PolarHBondContact N-OE1 3.46Å; N31-E34 VanDerWaalsContact O-CB 3.22Å; N31-E34 WeakPolarHBondContact O-CB 3.46Å; N31-E34 WeakPolarHBondContact O-CG 3.37Å; N31-E34 PolarHBondContact O-N 3.03Å; N31-C49 PolarHBondContact O-SG 2.9Å; N31-D64 CarbonylContact C-O 3.59Å; N31-D64 WeakPolarHBondContact CA-O 2.93Å; N31-L124 HydrophobicContact CB-CD1 4.01Å; N31-Y134 PolarHBondContact ND2-OH 3.16Å; N31-L166 HydrophobicContact CB-CD2 3.96Å; N31-L166 VanDerWaalsContact N-CD2 3.34Å
32T88Confident73Confident43 Ų4374.2 Ų74.226%0.26437%0.373SS..THydrogen-bonded Turntrans-62.8-15.8-178.751.70000113.4E34 C49 P51 D64T32-E34 VanDerWaalsContact C-N 3.26Å; T32-C49 VanDerWaalsContact CA-SG 3.59Å; T32-P51 HydrophobicContact CG2-CB 4.04Å; T32-D64 PolarHBondContact N-O 2.72Å; T32-D64 WeakPolarHBondContact OG1-CA 3.46Å; T32-D64 PolarHBondContact OG1-O 3.12Å
33N84.3Confident75.9Confident39 Ų3969.2 Ų69.221%0.20935%0.349CS..THydrogen-bonded Turntrans-75.1-15.1171.1-66-75.6000112.6N31 Y134 Q136 R152N31-N33 PolarHBondContact O-N 2.98Å; N31-N33 WeakPolarHBondContact OD1-CB 3.4Å; N31-N33 PolarHBondContact OD1-N 3.05Å; N31-N33 PolarHBondContact OD1-ND2 3Å; N33-Y134 PolarHBondContact ND2-OH 3.07Å; N33-Y134 VanDerWaalsContact ND2-OH 3.17Å; N33-Q136 PolarHBondContact O-NE2 3.38Å; N33-R152 PolarHBondContact OD1-NH2 2.86Å
34E81.7Confident78.5Confident25 Ų2560.7 Ų60.712%0.11732%0.319CS..SBendtrans-67.1147.1-177.1-72.5-177.5-121.100113.9N31 T32 R37 W68 L124N31-E34 HydrophobicContact CB-CG 4.05Å; N31-E34 PolarHBondContact N-OE1 3.46Å; N31-E34 VanDerWaalsContact O-CB 3.22Å; N31-E34 WeakPolarHBondContact O-CB 3.46Å; N31-E34 WeakPolarHBondContact O-CG 3.37Å; N31-E34 PolarHBondContact O-N 3.03Å; T32-E34 VanDerWaalsContact C-N 3.26Å; E34-R37 IonicContact OE2-CZ 3.48Å; E34-R37 IonicContact OE2-NE 2.77Å; E34-R37 IonicContact OE2-NH2 2.63Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å; E34-W68 HydrophobicContact CB-CH2 4.07Å; E34-W68 HydrophobicContact CB-CZ2 4.28Å; E34-W68 WeakPolarHBondContact OE2-CZ2 3.27Å; E34-L124 HydrophobicContact CG-CD1 3.81Å; E34-L124 HydrophobicContact CG-CG 4.21Å
35I79.7Confident81.4Confident47 Ų4757 Ų5724%0.24130%0.299CS..PPolyproline II helixtrans-70.6143.5177.4-65.7-179.3000109.1Q85 L119I35-Q85 HydrophobicContact CG2-CG 3.92Å; I35-L119 HydrophobicContact CD1-CD2 3.88Å
36K90Very high83.9Confident59 Ų5954.5 Ų54.526%0.25728%0.276SS..PPolyproline II helixtrans-59.8139.3175.3-57.6168.4-173.2170.30109.9Y46 L47 Q48 F80 Q85K36-Y46 HydrophobicContact CB-CD2 4.28Å; K36-Y46 HydrophobicContact CD-CD2 4.09Å; K36-Y46 HydrophobicContact CD-CE2 3.91Å; K36-Y46 HydrophobicContact CG-CD2 4.41Å; K36-L47 CarbonylContact C-O 3.45Å; K36-L47 WeakPolarHBondContact CA-O 3Å; K36-Q48 HydrophobicContact CG-CB 4.4Å; K36-Q48 HydrophobicContact CG-CG 4.29Å; K36-F80 HydrophobicContact CB-CE1 4.35Å; K36-F80 HydrophobicContact CB-CE2 4.08Å; K36-F80 HydrophobicContact CB-CZ 3.53Å; K36-F80 HydrophobicContact CD-CE2 3.99Å; K36-F80 HydrophobicContact CD-CZ 4.23Å; K36-Q85 PolarHBondContact NZ-O 3.3Å; K36-Q85 PolarHBondContact O-NE2 3.22Å
37R84.7Confident85.7Confident65 Ų6551 Ų5125%0.24526%0.258CS..EExtended strand (participates in β ladder)trans-110.3146.4-175.2-60.5-180179.5-161.4-2.1111.6E34 Y46 L47 W68E34-R37 IonicContact OE2-CZ 3.48Å; E34-R37 IonicContact OE2-NE 2.77Å; E34-R37 IonicContact OE2-NH2 2.63Å; E34-R37 PolarHBondContact OE2-NH2 3.4Å; R37-Y46 CarbonylContact O-C 3.6Å; R37-Y46 WeakPolarHBondContact O-CA 3.1Å; R37-Y46 WeakPolarHBondContact O-CB 3.18Å; R37-L47 HydrophobicContact CB-CB 4.33Å; R37-L47 PolarHBondContact N-O 3.13Å; R37-L47 PolarHBondContact O-N 3.02Å; R37-W68 HydrophobicContact CG-CH2 3.76Å; R37-W68 HydrophobicContact CG-CZ2 4.27Å; R37-W68 HydrophobicContact CG-CZ3 4.18Å; R37-W68 VanDerWaalsContact NE-CZ2 3.26Å
38P85.9Confident87.4Confident55 Ų5552.1 Ų52.136%0.35726%0.26SS..EExtended strand (participates in β ladder)trans-66.4144.6172.128.6-34.3000110.9F80 E82P38-F80 HydrophobicContact CB-CD1 4.26Å; P38-E82 VanDerWaalsContact CD-CD 3.45Å; P38-E82 VanDerWaalsContact CD-OE1 3.24Å; P38-E82 WeakPolarHBondContact CD-OE1 3.33Å; P38-E82 HydrophobicContact CG-CB 4.49Å
39H89Confident88Confident41 Ų4149.7 Ų49.719%0.1925%0.246CC..EExtended strand (participates in β ladder)trans-76.6130.9175.3-176.7-82.3000110.6N41 A42 K45 E70H39-N41 VanDerWaalsContact C-N 3.26Å; H39-N41 PolarHBondContact ND1-N 2.83Å; H39-N41 PolarHBondContact O-N 3.17Å; H39-N41 VanDerWaalsContact O-N 3.14Å; H39-A42 PolarHBondContact ND1-N 3.41Å; H39-A42 PolarHBondContact O-N 3.4Å; H39-K45 HydrophobicContact CB-CB 3.78Å; H39-K45 VanDerWaalsContact CB-O 3.29Å; H39-K45 WeakPolarHBondContact CB-O 3.29Å; H39-K45 PolarHBondContact N-O 3.18Å; H39-E70 IonicContact NE2-OE2 2.9Å
40R84.3Confident88.3Confident187 Ų18752 Ų5271%0.70626%0.257SS*.THydrogen-bonded Turntrans-54.6-38-173.1-69.5-173.7179.7-172.91.8114
41N86.8Confident88.2Confident150 Ų15055.4 Ų55.480%0.80228%0.279SS*.THydrogen-bonded Turntrans-108.9-2.9-171.7-59.3-14000114.3H39H39-N41 VanDerWaalsContact C-N 3.26Å; H39-N41 PolarHBondContact ND1-N 2.83Å; H39-N41 PolarHBondContact O-N 3.17Å; H39-N41 VanDerWaalsContact O-N 3.14Å
42A89.9Confident88.1Confident19 Ų1956 Ų5616%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-149.2118.1-170.800000111.6H39 N44 K45H39-A42 PolarHBondContact ND1-N 3.41Å; H39-A42 PolarHBondContact O-N 3.4Å; A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 2.93Å; A42-K45 HydrophobicContact CB-CB 4.1Å; A42-K45 HydrophobicContact CB-CD 3.99Å; A42-K45 HydrophobicContact CB-CG 3.79Å; A42-K45 PolarHBondContact O-N 2.76Å
43T89.6Confident87.9Confident77 Ų7756.9 Ų56.947%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-73.3-24-177.457.80000113.4K45 E79 F80T43-K45 PolarHBondContact O-N 3.46Å; T43-E79 CarbonylContact O-C 3.52Å; T43-E79 VanDerWaalsContact O-CA 3.24Å; T43-E79 WeakPolarHBondContact O-CA 3.43Å; T43-E79 WeakPolarHBondContact OG1-CG 3.47Å; T43-E79 PolarHBondContact OG1-OE1 2.84Å; T43-F80 PolarHBondContact O-N 2.87Å
44N92.5Very high87.6Confident33 Ų3360.3 Ų60.318%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-85.89.2176.268.3-29.1000113.5A42 C73 D76 E78A42-N44 VanDerWaalsContact C-N 3.33Å; A42-N44 PolarHBondContact O-N 2.93Å; N44-C73 PolarHBondContact O-N 2.74Å; N44-D76 PolarHBondContact ND2-OD1 2.82Å; N44-E78 WeakPolarHBondContact CB-O 3.2Å
45K94.1Very high87.4Confident40 Ų4062.4 Ų62.417%0.17433%0.325CS..EExtended strand (participates in β ladder)trans-130155179.3-50.4-165.1-167.81680111H39 A42 T43 E70 K71 R72H39-K45 HydrophobicContact CB-CB 3.78Å; H39-K45 VanDerWaalsContact CB-O 3.29Å; H39-K45 WeakPolarHBondContact CB-O 3.29Å; H39-K45 PolarHBondContact N-O 3.18Å; A42-K45 HydrophobicContact CB-CB 4.1Å; A42-K45 HydrophobicContact CB-CD 3.99Å; A42-K45 HydrophobicContact CB-CG 3.79Å; A42-K45 PolarHBondContact O-N 2.76Å; T43-K45 PolarHBondContact O-N 3.46Å; K45-E70 HydrophobicContact CD-CG 4.17Å; K45-E70 WeakPolarHBondContact CD-OE1 2.94Å; K45-E70 VanDerWaalsContact CE-OE1 3.3Å; K45-E70 WeakPolarHBondContact CE-OE1 3.39Å; K45-E70 IonicContact NZ-OE1 3.17Å; K45-E70 PolarHBondContact NZ-OE1 2.03Å; K45-K71 CarbonylContact C-O 3.56Å; K45-K71 VanDerWaalsContact CA-O 3.27Å; K45-K71 WeakPolarHBondContact CA-O 3.35Å; K45-K71 WeakPolarHBondContact CB-O 2.97Å; K45-R72 HydrophobicContact CD-CG 4.28Å; K45-R72 HydrophobicContact CG-CG 4.22Å
46Y93.1Very high87.1Confident33 Ų3363.1 Ų63.113%0.12933%0.329CS..EExtended strand (participates in β ladder)trans-145.1159.8177.963.1-83.2000110.5K36 R37 Q48 K71 F80K36-Y46 HydrophobicContact CB-CD2 4.28Å; K36-Y46 HydrophobicContact CD-CD2 4.09Å; K36-Y46 HydrophobicContact CD-CE2 3.91Å; K36-Y46 HydrophobicContact CG-CD2 4.41Å; R37-Y46 CarbonylContact O-C 3.6Å; R37-Y46 WeakPolarHBondContact O-CA 3.1Å; R37-Y46 WeakPolarHBondContact O-CB 3.18Å; Y46-Q48 HydrophobicContact CD2-CB 4.31Å; Y46-Q48 HydrophobicContact CE2-CB 4.07Å; Y46-K71 HydrophobicContact CD1-CB 4.1Å; Y46-K71 HydrophobicContact CD2-CB 4.02Å; Y46-K71 HydrophobicContact CE1-CB 3.61Å; Y46-K71 HydrophobicContact CE2-CB 3.54Å; Y46-K71 HydrophobicContact CE2-CG 3.92Å; Y46-K71 HydrophobicContact CG-CB 4.28Å; Y46-K71 PolarHBondContact N-O 3.09Å; Y46-K71 PolarHBondContact O-N 3.17Å; Y46-F80 HydrophobicContact CD1-CB 4.3Å; Y46-F80 AromaticContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CE2 4.4Å; Y46-F80 HydrophobicContact CD1-CG 4.17Å; Y46-F80 HydrophobicContact CD2-CD2 4.15Å; Y46-F80 HydrophobicContact CD2-CE2 4.05Å; Y46-F80 HydrophobicContact CE1-CD2 4.44Å; Y46-F80 HydrophobicContact CG-CB 4.43Å; Y46-F80 AromaticContact CG-CD2 3.54Å; Y46-F80 HydrophobicContact CG-CD2 3.54Å; Y46-F80 AromaticContact CG-CE2 3.91Å; Y46-F80 HydrophobicContact CG-CE2 3.91Å; Y46-F80 AromaticContact CG-CG 3.93Å; Y46-F80 HydrophobicContact CG-CG 3.93Å
47L91.6Very high86.3Confident48 Ų4864.2 Ų64.225%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-99.9127.4173.2-60.3173.4000108.1K36 R37 W68 T69 E70K36-L47 CarbonylContact C-O 3.45Å; K36-L47 WeakPolarHBondContact CA-O 3Å; R37-L47 HydrophobicContact CB-CB 4.33Å; R37-L47 PolarHBondContact N-O 3.13Å; R37-L47 PolarHBondContact O-N 3.02Å; L47-W68 HydrophobicContact CB-CD2 4.33Å; L47-W68 HydrophobicContact CB-CE3 3.65Å; L47-W68 HydrophobicContact CB-CZ3 4.17Å; L47-T69 WeakPolarHBondContact CA-O 3.28Å; L47-E70 HydrophobicContact CD2-CB 4.23Å
48Q92.5Very high85.7Confident58 Ų5867.8 Ų67.827%0.27136%0.355SS..EExtended strand (participates in β ladder)trans-117.1133.8173.9-179.4169.92.400108.9K36 Y46 E50 T69 K71K36-Q48 HydrophobicContact CG-CB 4.4Å; K36-Q48 HydrophobicContact CG-CG 4.29Å; Y46-Q48 HydrophobicContact CD2-CB 4.31Å; Y46-Q48 HydrophobicContact CE2-CB 4.07Å; Q48-E50 HydrophobicContact CG-CG 4.39Å; Q48-E50 PolarHBondContact O-N 2.8Å; Q48-T69 PolarHBondContact N-O 2.03Å; Q48-T69 PolarHBondContact O-N 3.11Å; Q48-T69 PolarHBondContact O-OG1 3.17Å; Q48-K71 HydrophobicContact CB-CG 4.06Å
49C91Very high85.1Confident13 Ų1370.5 Ų70.59%0.08836%0.362CS..EExtended strand (participates in β ladder)trans-76.9107.7171.8-170.70000108.2C30 N31 T32 W68C30-C49 VanDerWaalsContact C-SG 3.6Å; C30-C49 HydrophobicContact CB-CB 3.81Å; C30-C49 WeakPolarHBondContact CB-SG 3.03Å; C30-C49 WeakPolarHBondContact SG-CA 2.82Å; C30-C49 WeakPolarHBondContact SG-CB 3.3Å; C30-C49 CovalentContact SG-SG 2.01Å; C30-C49 PolarHBondContact SG-SG 2.86Å; N31-C49 PolarHBondContact O-SG 2.9Å; T32-C49 VanDerWaalsContact CA-SG 3.59Å; C49-W68 HydrophobicContact CB-CE3 4.19Å; C49-W68 HydrophobicContact CB-CH2 4.21Å; C49-W68 HydrophobicContact CB-CZ3 3.97Å
50E90.3Very high84.3Confident60 Ų6069.1 Ų69.128%0.2836%0.355SS..EExtended strand (participates in β ladder)trans-96.5135.4173.8-72.3-174.4138.700109.3Q48 I52 G66 Q67 T69 K71Q48-E50 HydrophobicContact CG-CG 4.39Å; Q48-E50 PolarHBondContact O-N 2.8Å; E50-I52 PolarHBondContact O-N 2.85Å; E50-G66 CarbonylContact O-C 3.59Å; E50-G66 WeakPolarHBondContact O-CA 2.9Å; E50-Q67 PolarHBondContact N-O 3.36Å; E50-Q67 PolarHBondContact O-N 3.25Å; E50-T69 HydrophobicContact CB-CG2 4.18Å; E50-T69 HydrophobicContact CG-CG2 4.35Å; E50-T69 WeakPolarHBondContact CG-OG1 3.49Å; E50-T69 WeakPolarHBondContact OE2-CB 2.92Å; E50-T69 WeakPolarHBondContact OE2-CG2 3.33Å; E50-T69 PolarHBondContact OE2-OG1 2.82Å; E50-K71 VanDerWaalsContact CD-CE 3.43Å; E50-K71 WeakPolarHBondContact OE1-CE 3.36Å; E50-K71 IonicContact OE1-NZ 3.77Å; E50-K71 PolarHBondContact OE1-NZ 2.99Å; E50-K71 IonicContact OE2-NZ 3.6Å; E50-K71 PolarHBondContact OE2-NZ 3.26Å; E50-K71 VanDerWaalsContact OE2-NZ 3.17Å
51P87.3Confident83.8Confident72 Ų7268 Ų6847%0.46836%0.355SS..EExtended strand (participates in β ladder)trans-56.5140.6173.925.3-32.8000109.1T32T32-P51 HydrophobicContact CG2-CB 4.04Å
52I83.5Confident83.4Confident12 Ų1261 Ų616%0.06232%0.318CS..PPolyproline II helixtrans-60.9147.2171.9-50.9178.8000107.5L29 E50 N56 R57 L65 P193L29-I52 HydrophobicContact CD2-CD1 4.44Å; E50-I52 PolarHBondContact O-N 2.85Å; I52-N56 HydrophobicContact CB-CB 4.44Å; I52-N56 HydrophobicContact CG2-CB 3.38Å; I52-R57 HydrophobicContact CB-CG 4.46Å; I52-R57 WeakPolarHBondContact O-CD 3.41Å; I52-R57 VanDerWaalsContact O-CG 3.27Å; I52-R57 WeakPolarHBondContact O-CG 3.47Å; I52-L65 HydrophobicContact CD1-CB 4.42Å; I52-L65 HydrophobicContact CD1-CD2 3.66Å; I52-L65 HydrophobicContact CD1-CG 3.83Å; I52-L65 PolarHBondContact N-O 2.88Å; I52-P193 HydrophobicContact CD1-CB 3.95Å
53S83.7Confident82.9Confident61 Ų6162.7 Ų62.743%0.42733%0.327SS..PPolyproline II helixtrans-47.4144.2179.361.20000112.3S55 N56 R57S53-S55 PolarHBondContact O-N 3.27Å; S53-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact OG-OG 3.45Å; S53-N56 WeakPolarHBondContact O-CA 3.33Å; S53-N56 WeakPolarHBondContact O-CB 3.3Å; S53-N56 PolarHBondContact O-N 3.37Å; S53-N56 PolarHBondContact OG-ND2 3.02Å; S53-N56 VanDerWaalsContact OG-ND2 3.15Å; S53-R57 PolarHBondContact O-N 3.47Å
54D78.6Confident82.6Confident112 Ų11260.9 Ų60.960%0.59931%0.314SS*.Hα-helixtrans-56.3-34.1-174.8-66.9-40.1000113N56 R57 L58D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.49Å; D54-R57 PolarHBondContact O-N 3.49Å; D54-R57 IonicContact OD1-NH1 3.69Å; D54-L58 PolarHBondContact O-N 2.94Å; D54-L58 VanDerWaalsContact O-N 3.11Å
55S76.8Confident82.2Confident68 Ų6859.6 Ų59.648%0.47631%0.308SS..Hα-helixtrans-51.9-48.5170.952.70000111.9S53 F59S53-S55 PolarHBondContact O-N 3.27Å; S53-S55 VanDerWaalsContact O-N 3.1Å; S53-S55 PolarHBondContact OG-OG 3.45Å; S55-F59 WeakPolarHBondContact O-CD2 3.43Å; S55-F59 VanDerWaalsContact O-CE2 3.28Å; S55-F59 WeakPolarHBondContact O-CE2 3.28Å
56N74.1Confident81.9Confident62 Ų6257.7 Ų57.733%0.33230%0.299SS..Hα-helixtrans-75.6-35.9179.2-73.4-27.2000112.6I52 S53 D54 L58 F59 W60I52-N56 HydrophobicContact CB-CB 4.44Å; I52-N56 HydrophobicContact CG2-CB 3.38Å; S53-N56 WeakPolarHBondContact O-CA 3.33Å; S53-N56 WeakPolarHBondContact O-CB 3.3Å; S53-N56 PolarHBondContact O-N 3.37Å; S53-N56 PolarHBondContact OG-ND2 3.02Å; S53-N56 VanDerWaalsContact OG-ND2 3.15Å; D54-N56 VanDerWaalsContact C-N 3.3Å; D54-N56 PolarHBondContact O-N 3.49Å; N56-L58 VanDerWaalsContact C-N 3.27Å; N56-L58 PolarHBondContact O-N 2.78Å; N56-F59 PolarHBondContact O-N 3.04Å; N56-W60 PolarHBondContact O-N 3.27Å
57R73.3Confident81.6Confident82 Ų8259.5 Ų59.531%0.30931%0.309SS..Hα-helixtrans-59.1-40.4177.3-73.9175.187-162.510.3111.8I52 S53 D54 F59 W60 K61 P63I52-R57 HydrophobicContact CB-CG 4.46Å; I52-R57 WeakPolarHBondContact O-CD 3.41Å; I52-R57 VanDerWaalsContact O-CG 3.27Å; I52-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 3.47Å; D54-R57 PolarHBondContact O-N 3.49Å; D54-R57 IonicContact OD1-NH1 3.69Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 PolarHBondContact O-N 3.18Å; R57-W60 PolarHBondContact O-N 2.95Å; R57-K61 PolarHBondContact O-N 2.72Å; R57-P63 PolarHBondContact NE-O 3.39Å; R57-P63 PolarHBondContact NH2-O 3.32Å
58L72.6Confident81.5Confident141 Ų14158.7 Ų58.774%0.73830%0.302SS*.Hα-helixtrans-62-38.5174.2-77.8158.4000112.3D54 N56D54-L58 PolarHBondContact O-N 2.94Å; D54-L58 VanDerWaalsContact O-N 3.11Å; N56-L58 VanDerWaalsContact C-N 3.27Å; N56-L58 PolarHBondContact O-N 2.78Å
59F73Confident81.4Confident111 Ų11157 Ų5749%0.48730%0.296SS..Hα-helixtrans-69.9-44.3178.4-70.8-60.3000112.8S55 N56 R57S55-F59 WeakPolarHBondContact O-CD2 3.43Å; S55-F59 VanDerWaalsContact O-CE2 3.28Å; S55-F59 WeakPolarHBondContact O-CE2 3.28Å; N56-F59 PolarHBondContact O-N 3.04Å; R57-F59 VanDerWaalsContact C-N 3.31Å; R57-F59 PolarHBondContact O-N 3.18Å
60W72Confident81.4Confident13 Ų1360.3 Ų60.35%0.04931%0.31CS..Hα-helixtrans-85.7-14.7-173.7-54.4116.8000114.4N56 R57 L62 T184 Q185 A191 C192 P193N56-W60 PolarHBondContact O-N 3.27Å; R57-W60 PolarHBondContact O-N 2.95Å; W60-L62 PolarHBondContact O-N 3.49Å; W60-T184 HydrophobicContact CD2-CG2 4.07Å; W60-T184 HydrophobicContact CE3-CG2 3.35Å; W60-T184 HydrophobicContact CZ3-CG2 4Å; W60-T184 PolarHBondContact O-OG1 2.79Å; W60-T184 VanDerWaalsContact O-OG1 3.11Å; W60-Q185 VanDerWaalsContact CE3-O 3.24Å; W60-Q185 WeakPolarHBondContact CZ3-O 3.45Å; W60-A191 HydrophobicContact CH2-CB 4.03Å; W60-A191 WeakPolarHBondContact CH2-O 3.34Å; W60-A191 HydrophobicContact CZ2-CB 4.18Å; W60-A191 WeakPolarHBondContact CZ3-O 3.21Å; W60-C192 VanDerWaalsContact CH2-CA 3.43Å; W60-P193 HydrophobicContact CD2-CG 4.24Å; W60-P193 HydrophobicContact CG-CG 4.48Å
61K74.6Confident81.6Confident163 Ų16360.4 Ų60.471%0.70931%0.31SS*.  trans53.224.7-175.9-59.6-179.6179.5175.40114.3R57 P63R57-K61 PolarHBondContact O-N 2.72Å; K61-P63 WeakPolarHBondContact O-CD 3.41Å
62L78.2Confident82Confident4 Ų464.8 Ų64.82%0.02132%0.317CS..  trans-108.597176.3-66.1177.3000108.6W60 D64 L65 F155 T184W60-L62 PolarHBondContact O-N 3.49Å; L62-D64 VanDerWaalsContact C-N 3.31Å; L62-D64 PolarHBondContact O-N 2.88Å; L62-L65 HydrophobicContact CB-CB 3.7Å; L62-L65 HydrophobicContact CB-CD2 4.35Å; L62-L65 HydrophobicContact CD1-CB 4.36Å; L62-L65 HydrophobicContact CD1-CD2 3.71Å; L62-L65 HydrophobicContact CD1-CG 4.47Å; L62-L65 PolarHBondContact O-N 3.44Å; L62-F155 HydrophobicContact CD2-CD1 4.47Å; L62-F155 HydrophobicContact CD2-CE1 3.45Å; L62-F155 VanDerWaalsContact CD2-CE1 3.45Å; L62-F155 HydrophobicContact CD2-CE2 4.04Å; L62-F155 HydrophobicContact CD2-CZ 3.19Å; L62-T184 HydrophobicContact CD1-CG2 4.48Å
63P78.4Confident82.6Confident53 Ų5364.8 Ų64.834%0.34432%0.318SS..THydrogen-bonded Turntrans-66.3-34.1-17425.6-33.6000112.3R57 K61 F155R57-P63 PolarHBondContact NE-O 3.39Å; R57-P63 PolarHBondContact NH2-O 3.32Å; K61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-F155 HydrophobicContact CG-CB 3.59Å; P63-F155 HydrophobicContact CG-CD1 4.2Å; P63-F155 HydrophobicContact CG-CG 4.09Å
64D83.1Confident83.2Confident40 Ų4071.1 Ų71.121%0.21434%0.341CS..THydrogen-bonded Turntrans-94.710-175.2-57.7-49.1000113.7N31 T32 L62N31-D64 CarbonylContact C-O 3.59Å; N31-D64 WeakPolarHBondContact CA-O 2.93Å; T32-D64 PolarHBondContact N-O 2.72Å; T32-D64 WeakPolarHBondContact OG1-CA 3.46Å; T32-D64 PolarHBondContact OG1-O 3.12Å; L62-D64 VanDerWaalsContact C-N 3.31Å; L62-D64 PolarHBondContact O-N 2.88Å
65L84.9Confident83.7Confident6 Ų668.2 Ų68.23%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-86.9125.6-179.6-168.670.6000110.9L29 I52 L62 L166 P193L29-L65 HydrophobicContact CB-CD1 4.06Å; L29-L65 HydrophobicContact CD1-CD1 4.32Å; L29-L65 HydrophobicContact CD1-CD2 4.48Å; L29-L65 HydrophobicContact CD2-CD1 4.34Å; L29-L65 HydrophobicContact CD2-CD2 4.26Å; L29-L65 HydrophobicContact CD2-CG 4.37Å; L29-L65 HydrophobicContact CG-CD1 4.47Å; I52-L65 HydrophobicContact CD1-CB 4.42Å; I52-L65 HydrophobicContact CD1-CD2 3.66Å; I52-L65 HydrophobicContact CD1-CG 3.83Å; I52-L65 PolarHBondContact N-O 2.88Å; L62-L65 HydrophobicContact CB-CB 3.7Å; L62-L65 HydrophobicContact CB-CD2 4.35Å; L62-L65 HydrophobicContact CD1-CB 4.36Å; L62-L65 HydrophobicContact CD1-CD2 3.71Å; L62-L65 HydrophobicContact CD1-CG 4.47Å; L62-L65 PolarHBondContact O-N 3.44Å; L65-L166 HydrophobicContact CD1-CD1 3.93Å; L65-L166 HydrophobicContact CD1-CD2 3.91Å; L65-P193 HydrophobicContact CD2-CB 4.11Å; L65-P193 HydrophobicContact CD2-CG 3.91Å
66G87.6Confident84.4Confident0 Ų070.7 Ų70.70%034%0.337CS..EExtended strand (participates in β ladder)trans-124-179.9172.800000112.4C30 E50C30-G66 PolarHBondContact N-O 3.33Å; C30-G66 PolarHBondContact O-N 3.4Å; E50-G66 CarbonylContact O-C 3.59Å; E50-G66 WeakPolarHBondContact O-CA 2.9Å
67Q87.5Confident85.2Confident71 Ų7177.3 Ų77.333%0.33236%0.358SS..EExtended strand (participates in β ladder)trans-121.9137.8170.6601809.400109.9V27 C30 E50 T69V27-Q67 HydrophobicContact CG1-CB 3.87Å; C30-Q67 PolarHBondContact SG-N 3.02Å; C30-Q67 VanDerWaalsContact SG-N 3.4Å; E50-Q67 PolarHBondContact N-O 3.36Å; E50-Q67 PolarHBondContact O-N 3.25Å; Q67-T69 HydrophobicContact CG-CG2 3.98Å; Q67-T69 PolarHBondContact O-N 3.29Å
68W87.8Confident86.2Confident30 Ų3075 Ų7511%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-67118.3172.7-76.2113.5000109.5T28 C30 E34 R37 L47 C49T28-W68 VanDerWaalsContact O-CD1 3.29Å; T28-W68 PolarHBondContact O-N 2.86Å; T28-W68 VanDerWaalsContact O-N 3.09Å; C30-W68 HydrophobicContact CB-CD2 3.84Å; C30-W68 HydrophobicContact CB-CG 4.01Å; C30-W68 HydrophobicContact CB-CZ2 3.75Å; C30-W68 VanDerWaalsContact CB-NE1 3.3Å; C30-W68 PolarHBondContact SG-N 2.99Å; E34-W68 HydrophobicContact CB-CH2 4.07Å; E34-W68 HydrophobicContact CB-CZ2 4.28Å; E34-W68 WeakPolarHBondContact OE2-CZ2 3.27Å; R37-W68 HydrophobicContact CG-CH2 3.76Å; R37-W68 HydrophobicContact CG-CZ2 4.27Å; R37-W68 HydrophobicContact CG-CZ3 4.18Å; R37-W68 VanDerWaalsContact NE-CZ2 3.26Å; L47-W68 HydrophobicContact CB-CD2 4.33Å; L47-W68 HydrophobicContact CB-CE3 3.65Å; L47-W68 HydrophobicContact CB-CZ3 4.17Å; C49-W68 HydrophobicContact CB-CE3 4.19Å; C49-W68 HydrophobicContact CB-CH2 4.21Å; C49-W68 HydrophobicContact CB-CZ3 3.97Å
69T90.6Very high87.1Confident23 Ų2370.2 Ų70.214%0.14132%0.324CS..EExtended strand (participates in β ladder)trans-112.6135.7173.466.20000110.9L47 Q48 E50 Q67 K71L47-T69 WeakPolarHBondContact CA-O 3.28Å; Q48-T69 PolarHBondContact N-O 2.03Å; Q48-T69 PolarHBondContact O-N 3.11Å; Q48-T69 PolarHBondContact O-OG1 3.17Å; E50-T69 HydrophobicContact CB-CG2 4.18Å; E50-T69 HydrophobicContact CG-CG2 4.35Å; E50-T69 WeakPolarHBondContact CG-OG1 3.49Å; E50-T69 WeakPolarHBondContact OE2-CB 2.92Å; E50-T69 WeakPolarHBondContact OE2-CG2 3.33Å; E50-T69 PolarHBondContact OE2-OG1 2.82Å; Q67-T69 HydrophobicContact CG-CG2 3.98Å; Q67-T69 PolarHBondContact O-N 3.29Å; T69-K71 PolarHBondContact O-N 2.02Å; T69-K71 WeakPolarHBondContact OG1-CE 3.23Å
70E92.6Very high88Confident83 Ų8365.7 Ų65.739%0.38830%0.304SS..EExtended strand (participates in β ladder)trans-77.6118.4175.9-174-173.4145.700109.4H39 K45 L47H39-E70 IonicContact NE2-OE2 2.9Å; K45-E70 HydrophobicContact CD-CG 4.17Å; K45-E70 WeakPolarHBondContact CD-OE1 2.94Å; K45-E70 VanDerWaalsContact CE-OE1 3.3Å; K45-E70 WeakPolarHBondContact CE-OE1 3.39Å; K45-E70 IonicContact NZ-OE1 3.17Å; K45-E70 PolarHBondContact NZ-OE1 2.03Å; L47-E70 HydrophobicContact CD2-CB 4.23Å
71K94.4Very high88.7Confident61 Ų6165.5 Ų65.527%0.26530%0.304SS..EExtended strand (participates in β ladder)trans-109.6149.6174.4-61.3-62.4-174.8-177.40109.9K45 Y46 Q48 E50 T69K45-K71 CarbonylContact C-O 3.56Å; K45-K71 VanDerWaalsContact CA-O 3.27Å; K45-K71 WeakPolarHBondContact CA-O 3.35Å; K45-K71 WeakPolarHBondContact CB-O 2.97Å; Y46-K71 HydrophobicContact CD1-CB 4.1Å; Y46-K71 HydrophobicContact CD2-CB 4.02Å; Y46-K71 HydrophobicContact CE1-CB 3.61Å; Y46-K71 HydrophobicContact CE2-CB 3.54Å; Y46-K71 HydrophobicContact CE2-CG 3.92Å; Y46-K71 HydrophobicContact CG-CB 4.28Å; Y46-K71 PolarHBondContact N-O 3.09Å; Y46-K71 PolarHBondContact O-N 3.17Å; Q48-K71 HydrophobicContact CB-CG 4.06Å; E50-K71 VanDerWaalsContact CD-CE 3.43Å; E50-K71 WeakPolarHBondContact OE1-CE 3.36Å; E50-K71 IonicContact OE1-NZ 3.77Å; E50-K71 PolarHBondContact OE1-NZ 2.99Å; E50-K71 IonicContact OE2-NZ 3.6Å; E50-K71 PolarHBondContact OE2-NZ 3.26Å; E50-K71 VanDerWaalsContact OE2-NZ 3.17Å; T69-K71 PolarHBondContact O-N 2.02Å; T69-K71 WeakPolarHBondContact OG1-CE 3.23Å
72R95.2Very high89.2Confident164 Ų16460.7 Ų60.762%0.61928%0.284SS*.EExtended strand (participates in β ladder)trans-103.8146.6173-60.9-173.1-179.5-1670.3109.3K45K45-R72 HydrophobicContact CD-CG 4.28Å; K45-R72 HydrophobicContact CG-CG 4.22Å
73C95.9Very high89.1Confident12 Ų1263.4 Ų63.48%0.08130%0.295CS..  trans-63.5155.3165-65.10000110.4N44 S75 E78 C87N44-C73 PolarHBondContact O-N 2.74Å; C73-S75 PolarHBondContact O-N 3.11Å; C73-E78 HydrophobicContact CB-CB 3.78Å; C73-C87 WeakPolarHBondContact CA-SG 3.22Å; C73-C87 HydrophobicContact CB-CB 3.61Å; C73-C87 WeakPolarHBondContact CB-SG 3.47Å; C73-C87 WeakPolarHBondContact SG-CB 3.47Å; C73-C87 CovalentContact SG-SG 2.04Å; C73-C87 PolarHBondContact SG-SG 3.38Å
74Q95.3Very high89.3Confident194 Ų19463.4 Ų63.491%0.90729%0.29SS*.SBendtrans-65.2-30.2-174.9-70.2-177.8100112.1E78Q74-E78 PolarHBondContact N-OE2 3.28Å
75S90.8Very high89.5Confident51 Ų5163.8 Ų63.836%0.35729%0.29SS..SBendtrans-125.9145.1177.9-177.50000111.5C73 R77 E78C73-S75 PolarHBondContact O-N 3.11Å; S75-R77 PolarHBondContact O-N 2.83Å; S75-R77 VanDerWaalsContact O-N 3.12Å; S75-R77 PolarHBondContact OG-N 2.76Å; S75-E78 PolarHBondContact N-OE2 3.46Å; S75-E78 WeakPolarHBondContact O-CB 3.37Å; S75-E78 PolarHBondContact O-N 3.31Å
76D90.4Very high89.8Confident121 Ų12169 Ų6965%0.64731%0.313SS*.THydrogen-bonded Turntrans-64.5-12.4172-66.8-42.1000113.7N44 E78N44-D76 PolarHBondContact ND2-OD1 2.82Å; D76-E78 VanDerWaalsContact C-N 3.31Å
77R90.8Very high90.1Very high201 Ų20170.4 Ų70.476%0.75832%0.323SS*.THydrogen-bonded Turntrans-88.20172.7-62.3-175.1-179.8-178.61113S75 R90S75-R77 PolarHBondContact O-N 2.83Å; S75-R77 VanDerWaalsContact O-N 3.12Å; S75-R77 PolarHBondContact OG-N 2.76Å; R77-R90 WeakPolarHBondContact O-CG 2.97Å; R77-R90 PolarHBondContact O-N 3.4Å
78E93.7Very high90.3Very high34 Ų3467.7 Ų67.716%0.15931%0.311CS..EExtended strand (participates in β ladder)trans-102.9147.8174.8-65.6177.815900110.7N44 C73 Q74 S75 D76 C87 V88 K89N44-E78 WeakPolarHBondContact CB-O 3.2Å; C73-E78 HydrophobicContact CB-CB 3.78Å; Q74-E78 PolarHBondContact N-OE2 3.28Å; S75-E78 PolarHBondContact N-OE2 3.46Å; S75-E78 WeakPolarHBondContact O-CB 3.37Å; S75-E78 PolarHBondContact O-N 3.31Å; D76-E78 VanDerWaalsContact C-N 3.31Å; E78-C87 HydrophobicContact CB-CB 4.2Å; E78-V88 CarbonylContact C-O 3.53Å; E78-V88 VanDerWaalsContact CA-O 3.28Å; E78-V88 WeakPolarHBondContact CA-O 3.5Å; E78-K89 HydrophobicContact CG-CG 4.23Å
79E92.5Very high90.4Very high40 Ų4072.8 Ų72.819%0.18733%0.334CS..EExtended strand (participates in β ladder)trans-128.3144.4174.1-73.1-179.516800108.3T43 N81 V88 R90 L93T43-E79 CarbonylContact O-C 3.52Å; T43-E79 VanDerWaalsContact O-CA 3.24Å; T43-E79 WeakPolarHBondContact O-CA 3.43Å; T43-E79 WeakPolarHBondContact OG1-CG 3.47Å; T43-E79 PolarHBondContact OG1-OE1 2.84Å; E79-N81 PolarHBondContact O-N 3.27Å; E79-V88 PolarHBondContact N-O 3.2Å; E79-V88 PolarHBondContact O-N 2.88Å; E79-R90 HydrophobicContact CB-CG 4.47Å; E79-R90 VanDerWaalsContact CD-CG 3.46Å; E79-R90 HydrophobicContact CG-CG 3.59Å; E79-R90 IonicContact OE1-CZ 3.53Å; E79-R90 IonicContact OE1-NE 3.81Å; E79-R90 PolarHBondContact OE1-NE 2.02Å; E79-R90 IonicContact OE1-NH2 3.82Å; E79-L93 HydrophobicContact CB-CD1 3.47Å; E79-L93 VanDerWaalsContact CB-CD1 3.47Å; E79-L93 HydrophobicContact CG-CD1 4.41Å
80F91.7Very high90.1Very high16 Ų1677.2 Ų77.27%0.0735%0.348CS..EExtended strand (participates in β ladder)trans-71.4121.9178.6-178.4-104.8000110K36 P38 T43 Y46 E82K36-F80 HydrophobicContact CB-CE1 4.35Å; K36-F80 HydrophobicContact CB-CE2 4.08Å; K36-F80 HydrophobicContact CB-CZ 3.53Å; K36-F80 HydrophobicContact CD-CE2 3.99Å; K36-F80 HydrophobicContact CD-CZ 4.23Å; P38-F80 HydrophobicContact CB-CD1 4.26Å; T43-F80 PolarHBondContact O-N 2.87Å; Y46-F80 HydrophobicContact CD1-CB 4.3Å; Y46-F80 AromaticContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CD2 3.71Å; Y46-F80 HydrophobicContact CD1-CE2 4.4Å; Y46-F80 HydrophobicContact CD1-CG 4.17Å; Y46-F80 HydrophobicContact CD2-CD2 4.15Å; Y46-F80 HydrophobicContact CD2-CE2 4.05Å; Y46-F80 HydrophobicContact CE1-CD2 4.44Å; Y46-F80 HydrophobicContact CG-CB 4.43Å; Y46-F80 AromaticContact CG-CD2 3.54Å; Y46-F80 HydrophobicContact CG-CD2 3.54Å; Y46-F80 AromaticContact CG-CE2 3.91Å; Y46-F80 HydrophobicContact CG-CE2 3.91Å; Y46-F80 AromaticContact CG-CG 3.93Å; Y46-F80 HydrophobicContact CG-CG 3.93Å; F80-E82 HydrophobicContact CE1-CB 4.23Å
81N87.7Confident89.5Confident9 Ų981.8 Ų81.85%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-96.8104.4173.6-175.7-15.4000108.8E79 Y83 E84 Q85 K86 V88E79-N81 PolarHBondContact O-N 3.27Å; N81-Y83 PolarHBondContact O-N 3.16Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.44Å; N81-Y83 WeakPolarHBondContact OD1-CD2 2.98Å; N81-Y83 PolarHBondContact OD1-N 2.73Å; N81-Y83 VanDerWaalsContact OD1-N 3.07Å; N81-E84 HydrophobicContact CB-CB 4.25Å; N81-E84 PolarHBondContact O-N 2.57Å; N81-E84 VanDerWaalsContact O-N 3.15Å; N81-E84 PolarHBondContact OD1-N 3.06Å; N81-Q85 PolarHBondContact O-N 2.96Å; N81-K86 PolarHBondContact N-O 2.96Å; N81-V88 HydrophobicContact CB-CG1 4.08Å; N81-V88 HydrophobicContact CB-CG2 3.75Å
82E83.6Confident88.5Confident62 Ų6285.1 Ų85.129%0.2938%0.384SS..THydrogen-bonded Turntrans-54.3-34.7178.9-178.3170.3-147.300112.7P38 F80 Q85P38-E82 VanDerWaalsContact CD-CD 3.45Å; P38-E82 VanDerWaalsContact CD-OE1 3.24Å; P38-E82 WeakPolarHBondContact CD-OE1 3.33Å; P38-E82 HydrophobicContact CG-CB 4.49Å; F80-E82 HydrophobicContact CE1-CB 4.23Å; E82-Q85 PolarHBondContact O-NE2 2.82Å
83Y76.4Confident87.1Confident61 Ų6179.2 Ų79.224%0.23936%0.364CS..THydrogen-bonded Turntrans-75.7-34.8-179.1-53.4-81000112.9N81 Y145N81-Y83 PolarHBondContact O-N 3.16Å; N81-Y83 WeakPolarHBondContact OD1-CB 3.44Å; N81-Y83 WeakPolarHBondContact OD1-CD2 2.98Å; N81-Y83 PolarHBondContact OD1-N 2.73Å; N81-Y83 VanDerWaalsContact OD1-N 3.07Å; Y83-Y145 AromaticContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CD1 3.43Å; Y83-Y145 VanDerWaalsContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CE1 4.08Å; Y83-Y145 HydrophobicContact CD1-CG 4.47Å; Y83-Y145 HydrophobicContact CD2-CD1 4.21Å; Y83-Y145 HydrophobicContact CD2-CE1 4.03Å; Y83-Y145 AromaticContact CE1-CD1 3.84Å; Y83-Y145 HydrophobicContact CE1-CD1 3.84Å; Y83-Y145 AromaticContact CG-CD1 3.59Å; Y83-Y145 HydrophobicContact CG-CD1 3.59Å; Y83-Y145 AromaticContact CG-CE1 3.75Å; Y83-Y145 HydrophobicContact CG-CE1 3.75Å
84E83Confident85.6Confident52 Ų5288 Ų8824%0.24340%0.401CS..THydrogen-bonded Turntrans-92.1-3.3179.1-65.6-168.5168.800113N81 K86 V88N81-E84 HydrophobicContact CB-CB 4.25Å; N81-E84 PolarHBondContact O-N 2.57Å; N81-E84 VanDerWaalsContact O-N 3.15Å; N81-E84 PolarHBondContact OD1-N 3.06Å; E84-K86 HydrophobicContact CB-CD 4.26Å; E84-K86 HydrophobicContact CB-CG 3.83Å; E84-K86 WeakPolarHBondContact O-CG 3.15Å; E84-K86 PolarHBondContact O-N 3.02Å; E84-K86 VanDerWaalsContact O-N 3.11Å; E84-K86 WeakPolarHBondContact OE2-CE 3.22Å; E84-K86 IonicContact OE2-NZ 2.64Å; E84-V88 VanDerWaalsContact OE2-CG1 3.28Å; E84-V88 WeakPolarHBondContact OE2-CG1 3.39Å
85Q86.6Confident84Confident48 Ų4887 Ų8722%0.22439%0.394CS..THydrogen-bonded Turntrans55.628.2-179.6-70.4-65.6-64.300114.4I35 K36 N81 E82I35-Q85 HydrophobicContact CG2-CG 3.92Å; K36-Q85 PolarHBondContact NZ-O 3.3Å; K36-Q85 PolarHBondContact O-NE2 3.22Å; N81-Q85 PolarHBondContact O-N 2.96Å; E82-Q85 PolarHBondContact O-NE2 2.82Å
86K91.8Very high82.5Confident115 Ų11588.6 Ų88.650%0.539%0.393SS..EExtended strand (participates in β ladder)trans-150.1160.3-176.170.3-170.2179-172.70112.7N81 E84 V88N81-K86 PolarHBondContact N-O 2.96Å; E84-K86 HydrophobicContact CB-CD 4.26Å; E84-K86 HydrophobicContact CB-CG 3.83Å; E84-K86 WeakPolarHBondContact O-CG 3.15Å; E84-K86 PolarHBondContact O-N 3.02Å; E84-K86 VanDerWaalsContact O-N 3.11Å; E84-K86 WeakPolarHBondContact OE2-CE 3.22Å; E84-K86 IonicContact OE2-NZ 2.64Å; K86-V88 HydrophobicContact CG-CG1 3.94Å
87C93.5Very high81Confident31 Ų3185 Ų8521%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-74.6131.4170.4-68.30000110.3C73 E78C73-C87 WeakPolarHBondContact CA-SG 3.22Å; C73-C87 HydrophobicContact CB-CB 3.61Å; C73-C87 WeakPolarHBondContact CB-SG 3.47Å; C73-C87 WeakPolarHBondContact SG-CB 3.47Å; C73-C87 CovalentContact SG-SG 2.04Å; C73-C87 PolarHBondContact SG-SG 3.38Å; E78-C87 HydrophobicContact CB-CB 4.2Å
88V92.6Very high79.7Confident13 Ų1384.7 Ų84.78%0.07939%0.388CS..EExtended strand (participates in β ladder)trans-129.8147.4179.3-56.50000110.3E78 E79 N81 E84 K86 R90 L93E78-V88 CarbonylContact C-O 3.53Å; E78-V88 VanDerWaalsContact CA-O 3.28Å; E78-V88 WeakPolarHBondContact CA-O 3.5Å; E79-V88 PolarHBondContact N-O 3.2Å; E79-V88 PolarHBondContact O-N 2.88Å; N81-V88 HydrophobicContact CB-CG1 4.08Å; N81-V88 HydrophobicContact CB-CG2 3.75Å; E84-V88 VanDerWaalsContact OE2-CG1 3.28Å; E84-V88 WeakPolarHBondContact OE2-CG1 3.39Å; K86-V88 HydrophobicContact CG-CG1 3.94Å; V88-R90 PolarHBondContact O-N 3.34Å; V88-L93 HydrophobicContact CG2-CD1 3.37Å; V88-L93 HydrophobicContact CG2-CD2 4.5Å; V88-L93 HydrophobicContact CG2-CG 3.68Å
89K90.7Very high78.5Confident138 Ų13890.3 Ų90.360%0.641%0.408SS*.EExtended strand (participates in β ladder)trans-59.1133.1177.2-64.8-178.1179-179.30110.9E78 Q91 K92E78-K89 HydrophobicContact CG-CG 4.23Å; K89-Q91 PolarHBondContact O-N 2.04Å; K89-K92 WeakPolarHBondContact O-CB 3.26Å; K89-K92 PolarHBondContact O-N 3.12Å
90R83.9Confident77.6Confident115 Ų11595.2 Ų95.243%0.43443%0.425SS..Hα-helixtrans-45.2-39.6-178.8-82.1-178.3171.1168.28.6115R77 E79 V88 K92 L93R77-R90 WeakPolarHBondContact O-CG 2.97Å; R77-R90 PolarHBondContact O-N 3.4Å; E79-R90 HydrophobicContact CB-CG 4.47Å; E79-R90 VanDerWaalsContact CD-CG 3.46Å; E79-R90 HydrophobicContact CG-CG 3.59Å; E79-R90 IonicContact OE1-CZ 3.53Å; E79-R90 IonicContact OE1-NE 3.81Å; E79-R90 PolarHBondContact OE1-NE 2.02Å; E79-R90 IonicContact OE1-NH2 3.82Å; V88-R90 PolarHBondContact O-N 3.34Å; R90-K92 PolarHBondContact O-N 3.31Å; R90-L93 PolarHBondContact O-N 2.97Å
91Q80Confident77.3Confident179 Ų17994.7 Ų94.784%0.83642%0.423SS*.Hα-helixtrans-61.4-29.5179.6-71.6179.7-7.100113.2K89K89-Q91 PolarHBondContact O-N 2.04Å
92K73.3Confident77.1Confident131 Ų131101.8 Ų101.857%0.5745%0.45SS*.Hα-helixtrans-74.8-36.1177.7-70.8-170.3175.3-176.50111.9K89 R90 K94 K95 Y96K89-K92 WeakPolarHBondContact O-CB 3.26Å; K89-K92 PolarHBondContact O-N 3.12Å; R90-K92 PolarHBondContact O-N 3.31Å; K92-K94 PolarHBondContact O-N 2.98Å; K92-K95 PolarHBondContact O-N 3.15Å; K92-K95 VanDerWaalsContact O-N 3.17Å; K92-Y96 HydrophobicContact CB-CE2 4.24Å; K92-Y96 WeakPolarHBondContact O-CD2 3.35Å; K92-Y96 WeakPolarHBondContact O-CE2 3.4Å
93L65.7Low77.1Confident40 Ų40100.9 Ų100.921%0.20945%0.45CS..Hα-helixtrans-61.6-39-178.4-87.2132.3000113.3E79 V88 R90 K95 Y96E79-L93 HydrophobicContact CB-CD1 3.47Å; E79-L93 VanDerWaalsContact CB-CD1 3.47Å; E79-L93 HydrophobicContact CG-CD1 4.41Å; V88-L93 HydrophobicContact CG2-CD1 3.37Å; V88-L93 HydrophobicContact CG2-CD2 4.5Å; V88-L93 HydrophobicContact CG2-CG 3.68Å; R90-L93 PolarHBondContact O-N 2.97Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-K95 VanDerWaalsContact O-N 3.12Å; L93-Y96 CarbonylContact O-C 3.55Å; L93-Y96 VanDerWaalsContact O-C 3.23Å; L93-Y96 WeakPolarHBondContact O-CA 2.99Å; L93-Y96 PolarHBondContact O-N 3.17Å; L93-Y96 VanDerWaalsContact O-O 3.07Å
94K64.1Low77.6Confident196 Ų196102.5 Ų102.585%0.85246%0.456SS*.THydrogen-bonded Turntrans-59.4-26.9178.1-74.2-171.9176.5-1750113.5K92K92-K94 PolarHBondContact O-N 2.98Å
95K62.1Low77.8Confident175 Ų175106.9 Ų106.976%0.76149%0.488SS*.THydrogen-bonded Turntrans-80.4-24.4177.4-160.6171.4-175.11760112.5K92 L93K92-K95 PolarHBondContact O-N 3.15Å; K92-K95 VanDerWaalsContact O-N 3.17Å; L93-K95 PolarHBondContact O-N 3.46Å; L93-K95 VanDerWaalsContact O-N 3.12Å
96Y58.6Low77.8Confident84 Ų84112.3 Ų112.333%0.32951%0.508SS..SBendtrans-100.172.2173.5-54-72.6000108.5K92 L93K92-Y96 HydrophobicContact CB-CE2 4.24Å; K92-Y96 WeakPolarHBondContact O-CD2 3.35Å; K92-Y96 WeakPolarHBondContact O-CE2 3.4Å; L93-Y96 CarbonylContact O-C 3.55Å; L93-Y96 VanDerWaalsContact O-C 3.23Å; L93-Y96 WeakPolarHBondContact O-CA 2.99Å; L93-Y96 PolarHBondContact O-N 3.17Å; L93-Y96 VanDerWaalsContact O-O 3.07Å
97G58.9Low77.5Confident46 Ų46109.5 Ų109.547%0.47450%0.497SS..  trans-48.5158.5164.700000110.3R99G97-R99 WeakPolarHBondContact O-CG 3.32Å; G97-R99 PolarHBondContact O-N 2.93Å
98K62.6Low77Confident194 Ų194112 Ų11284%0.84351%0.514SS*.  trans-53.178.5-179-67.5-180179.6179.90111.6R100K98-R100 PolarHBondContact O-N 3.05Å; K98-R100 VanDerWaalsContact O-N 3.1Å
99R68.9Low76.8Confident152 Ų152116.4 Ų116.457%0.57453%0.533SS*.  trans-79.4101.1178.8-75.9-173.7-175.8-146.90.4104.6G97 Y145G97-R99 WeakPolarHBondContact O-CG 3.32Å; G97-R99 PolarHBondContact O-N 2.93Å; R99-Y145 HydrophobicContact CB-CD1 4.29Å; R99-Y145 HydrophobicContact CB-CD2 3.89Å; R99-Y145 HydrophobicContact CB-CE1 4.06Å; R99-Y145 HydrophobicContact CB-CE2 3.61Å; R99-Y145 HydrophobicContact CB-CG 4.23Å; R99-Y145 HydrophobicContact CG-CE2 4.3Å; R99-Y145 VanDerWaalsContact O-CD1 3.25Å; R99-Y145 WeakPolarHBondContact O-CD1 3.4Å
100R74.8Confident76.6Confident142 Ų142110.9 Ų110.954%0.53651%0.513SS..  trans-59.7155.5169-68.9-173.1177.1-169.9-1.7109.3K98 Y102 P218K98-R100 PolarHBondContact O-N 3.05Å; K98-R100 VanDerWaalsContact O-N 3.1Å; R100-Y102 HydrophobicContact CB-CE2 4.14Å; R100-Y102 WeakPolarHBondContact O-CD2 3.07Å; R100-Y102 WeakPolarHBondContact O-CE2 3.37Å; R100-Y102 PolarHBondContact O-N 3.44Å; R100-P218 VanDerWaalsContact NH1-CB 3.28Å
101C84.4Confident76.7Confident5 Ų5111.2 Ų111.23%0.03452%0.523CS..  trans-64.3125.8165.7-1780000109.4F109 F116 D118 Y145 C146C101-F109 HydrophobicContact CB-CE1 4.22Å; C101-F109 HydrophobicContact CB-CZ 4.08Å; C101-F109 WeakPolarHBondContact O-CZ 3.03Å; C101-F116 WeakPolarHBondContact SG-CE1 3.21Å; C101-F116 WeakPolarHBondContact SG-CZ 3.25Å; C101-D118 HydrophobicContact CB-CB 3.57Å; C101-D118 VanDerWaalsContact CB-OD2 3.29Å; C101-D118 WeakPolarHBondContact CB-OD2 3.44Å; C101-D118 PolarHBondContact N-OD2 2.82Å; C101-Y145 WeakPolarHBondContact CB-O 3.22Å; C101-C146 WeakPolarHBondContact CA-SG 3.05Å; C101-C146 HydrophobicContact CB-CB 4.18Å; C101-C146 WeakPolarHBondContact CB-SG 3.45Å; C101-C146 WeakPolarHBondContact SG-CA 3.38Å; C101-C146 WeakPolarHBondContact SG-CB 3.19Å; C101-C146 CovalentContact SG-SG 2.03Å; C101-C146 PolarHBondContact SG-SG 3.28Å
102Y84.5Confident77Confident158 Ų158106.2 Ų106.262%0.6250%0.504SS*.  trans-114.8113.9175.4-68.2-78.8000109.2R100 R143R100-Y102 HydrophobicContact CB-CE2 4.14Å; R100-Y102 WeakPolarHBondContact O-CD2 3.07Å; R100-Y102 WeakPolarHBondContact O-CE2 3.37Å; R100-Y102 PolarHBondContact O-N 3.44Å; Y102-R143 PolarHBondContact O-NH1 2.8Å
103P83.7Confident77.6Confident44 Ų44102.4 Ų102.429%0.28649%0.493SS..  trans-63.7149.8173.227.8-31.9000109.4E107 F109 F116P103-E107 HydrophobicContact CB-CB 3.82Å; P103-E107 WeakPolarHBondContact CB-O 3.48Å; P103-F109 HydrophobicContact CG-CD2 4.16Å; P103-F109 HydrophobicContact CG-CE2 3.85Å; P103-F109 HydrophobicContact CG-CZ 4.42Å; P103-F116 VanDerWaalsContact CA-CE1 3.4Å; P103-F116 HydrophobicContact CB-CD1 3.84Å; P103-F116 HydrophobicContact CB-CE1 3.72Å
104R85.3Confident78.6Confident95 Ų95106.1 Ų106.136%0.35851%0.513SS..  trans-62.8161.5167.7-67.2-178.4174.3-170.8-2.1109.6Y106 E107 R143R104-Y106 HydrophobicContact CB-CD1 3.91Å; R104-Y106 HydrophobicContact CB-CD2 4.5Å; R104-Y106 HydrophobicContact CB-CE1 3.64Å; R104-Y106 HydrophobicContact CB-CE2 4.24Å; R104-Y106 HydrophobicContact CB-CG 4.36Å; R104-Y106 WeakPolarHBondContact CD-OH 3.21Å; R104-Y106 HydrophobicContact CG-CE1 4.19Å; R104-Y106 PolarHBondContact NH1-OH 3.48Å; R104-Y106 PolarHBondContact O-N 2.83Å; R104-E107 HydrophobicContact CB-CB 4.3Å; R104-E107 HydrophobicContact CB-CG 4.03Å; R104-E107 WeakPolarHBondContact CG-OE2 3.48Å; R104-E107 PolarHBondContact N-OE2 2.81Å; R104-E107 PolarHBondContact O-N 3.35Å; R104-R143 VanDerWaalsContact CG-CZ 3.47Å
105P86.9Confident79.8Confident143 Ų14397.1 Ų97.193%0.92948%0.476SS*.THydrogen-bonded Turntrans-53.2-23.7177.8-28.435.8000115.2
106Y86.4Confident81.2Confident162 Ų16289.6 Ų89.664%0.63544%0.444SS*.THydrogen-bonded Turntrans-102.6-0.4177.861-98.9000113.8R104R104-Y106 HydrophobicContact CB-CD1 3.91Å; R104-Y106 HydrophobicContact CB-CD2 4.5Å; R104-Y106 HydrophobicContact CB-CE1 3.64Å; R104-Y106 HydrophobicContact CB-CE2 4.24Å; R104-Y106 HydrophobicContact CB-CG 4.36Å; R104-Y106 WeakPolarHBondContact CD-OH 3.21Å; R104-Y106 HydrophobicContact CG-CE1 4.19Å; R104-Y106 PolarHBondContact NH1-OH 3.48Å; R104-Y106 PolarHBondContact O-N 2.83Å
107E85.9Confident82.7Confident57 Ų5785.7 Ų85.727%0.26643%0.428SS..  trans-102.9143.8175.2-68.1164.8-177.700107.8P103 R104 R143P103-E107 HydrophobicContact CB-CB 3.82Å; P103-E107 WeakPolarHBondContact CB-O 3.48Å; R104-E107 HydrophobicContact CB-CB 4.3Å; R104-E107 HydrophobicContact CB-CG 4.03Å; R104-E107 WeakPolarHBondContact CG-OE2 3.48Å; R104-E107 PolarHBondContact N-OE2 2.81Å; R104-E107 PolarHBondContact O-N 3.35Å; E107-R143 IonicContact OE2-CZ 3.39Å; E107-R143 IonicContact OE2-NH1 3.55Å; E107-R143 PolarHBondContact OE2-NH1 3.34Å
108S84.2Confident84.2Confident82 Ų8284.1 Ų84.157%0.57341%0.409SS*.  trans-126.5148.9168.759.10000108.8A110S108-A110 PolarHBondContact O-N 3.13Å; S108-A110 VanDerWaalsContact O-N 3.11Å
109F87.8Confident85.3Confident106 Ų10676 Ų7647%0.46537%0.374SS..BIsolated β-bridgetrans-59.2119163.7-68-71.9000107.6C101 P103 F116 D118C101-F109 HydrophobicContact CB-CE1 4.22Å; C101-F109 HydrophobicContact CB-CZ 4.08Å; C101-F109 WeakPolarHBondContact O-CZ 3.03Å; P103-F109 HydrophobicContact CG-CD2 4.16Å; P103-F109 HydrophobicContact CG-CE2 3.85Å; P103-F109 HydrophobicContact CG-CZ 4.42Å; F109-F116 WeakPolarHBondContact CA-O 3.4Å; F109-F116 AromaticContact CD1-CD1 3.89Å; F109-F116 HydrophobicContact CD1-CD1 3.89Å; F109-F116 AromaticContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CE1 4.02Å; F109-F116 HydrophobicContact CZ-CD1 4.29Å; F109-F116 HydrophobicContact CZ-CE1 4.29Å; F109-D118 HydrophobicContact CE1-CB 3.96Å; F109-D118 HydrophobicContact CZ-CB 4.42Å
110A85.7Confident85.8Confident23 Ų2370.1 Ų70.119%0.1936%0.357CS..  trans-131.7129.2-175.600000108.3S108 T112 F116 W149S108-A110 PolarHBondContact O-N 3.13Å; S108-A110 VanDerWaalsContact O-N 3.11Å; A110-T112 WeakPolarHBondContact CB-OG1 3.04Å; A110-T112 PolarHBondContact O-N 2.85Å; A110-F116 PolarHBondContact N-O 3.35Å; A110-W149 PolarHBondContact O-NE1 3.37Å
111L86.5Confident86.1Confident121 Ų12166.9 Ų66.963%0.63435%0.353SS*.SBendtrans-82.744.5175.6-55.1174.8000110.2M125L111-M125 HydrophobicContact CB-CE 4.21Å; L111-M125 HydrophobicContact CD2-CE 3.43Å; L111-M125 VanDerWaalsContact CD2-CE 3.43Å; L111-M125 HydrophobicContact CD2-SD 3.53Å; L111-M125 VanDerWaalsContact CD2-SD 3.53Å; L111-M125 HydrophobicContact CG-CE 4.39Å
112T87.1Confident86.1Confident74 Ų7468 Ų6845%0.45436%0.361SS..SBendtrans-123.3160.8-176.959.40000109.3A110 N114 G115 W149A110-T112 WeakPolarHBondContact CB-OG1 3.04Å; A110-T112 PolarHBondContact O-N 2.85Å; T112-N114 PolarHBondContact O-N 2.98Å; T112-G115 WeakPolarHBondContact O-CA 3.21Å; T112-G115 PolarHBondContact O-N 3.39Å; T112-W149 WeakPolarHBondContact O-CB 3.3Å
113P86Confident86.2Confident51 Ų5162.4 Ų62.433%0.33135%0.345SS..THydrogen-bonded Turntrans-60.4136.3175.8-14.631.7000108.6G115 Y127P113-G115 PolarHBondContact O-N 3Å; P113-G115 VanDerWaalsContact O-N 3.13Å; P113-Y127 HydrophobicContact CB-CE2 4.08Å; P113-Y127 HydrophobicContact CG-CD2 4.37Å; P113-Y127 HydrophobicContact CG-CE2 3.37Å
114N86.8Confident86.5Confident119 Ų11960.7 Ų60.764%0.63633%0.333SS*.THydrogen-bonded Turntrans643.8-171.8-49.9-47.9000115.6T112 W149T112-N114 PolarHBondContact O-N 2.98Å; N114-W149 VanDerWaalsContact CA-O 3.28Å; N114-W149 WeakPolarHBondContact CA-O 3.42Å; N114-W149 PolarHBondContact N-O 2.92Å
115G88.9Confident86.7Confident7 Ų757.3 Ų57.37%0.07232%0.322CS..  trans-62.5150.4173.900000111.5T112 P113 Q148 W149T112-G115 WeakPolarHBondContact O-CA 3.21Å; T112-G115 PolarHBondContact O-N 3.39Å; P113-G115 PolarHBondContact O-N 3Å; P113-G115 VanDerWaalsContact O-N 3.13Å; G115-Q148 CarbonylContact O-C 3.55Å; G115-Q148 WeakPolarHBondContact O-CA 3.5Å; G115-W149 PolarHBondContact O-N 3.22Å
116F90.9Very high86.9Confident17 Ų1753.3 Ų53.38%0.07530%0.296CS..EExtended strand (participates in β ladder)trans-73.7140.6179.2-166.5-110.9000111C101 P103 F109 A110 C146C101-F116 WeakPolarHBondContact SG-CE1 3.21Å; C101-F116 WeakPolarHBondContact SG-CZ 3.25Å; P103-F116 VanDerWaalsContact CA-CE1 3.4Å; P103-F116 HydrophobicContact CB-CD1 3.84Å; P103-F116 HydrophobicContact CB-CE1 3.72Å; F109-F116 WeakPolarHBondContact CA-O 3.4Å; F109-F116 AromaticContact CD1-CD1 3.89Å; F109-F116 HydrophobicContact CD1-CD1 3.89Å; F109-F116 AromaticContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CD1 3.69Å; F109-F116 HydrophobicContact CE1-CE1 4.02Å; F109-F116 HydrophobicContact CZ-CD1 4.29Å; F109-F116 HydrophobicContact CZ-CE1 4.29Å; A110-F116 PolarHBondContact N-O 3.35Å; F116-C146 HydrophobicContact CD2-CB 4.34Å; F116-C146 HydrophobicContact CE1-CB 3.95Å; F116-C146 HydrophobicContact CE2-CB 3.39Å; F116-C146 HydrophobicContact CZ-CB 3.19Å; F116-C146 WeakPolarHBondContact CZ-SG 3.08Å
117C91.5Very high87.2Confident1 Ų148.3 Ų48.31%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-141.1151.4-175.462.30000111.8S122 C137 C146 G147 Q148 W149C117-S122 WeakPolarHBondContact CB-OG 2.88Å; C117-C137 HydrophobicContact CB-CB 3.82Å; C117-C137 WeakPolarHBondContact CB-SG 3.32Å; C117-C137 WeakPolarHBondContact SG-CA 3.37Å; C117-C137 WeakPolarHBondContact SG-CB 3.41Å; C117-C137 CovalentContact SG-SG 2.02Å; C117-C137 PolarHBondContact SG-SG 2.94Å; C117-C146 WeakPolarHBondContact O-CA 3.37Å; C117-G147 PolarHBondContact N-O 3.22Å; C117-G147 PolarHBondContact O-N 2.04Å; C117-G147 VanDerWaalsContact SG-CA 3.55Å; C117-G147 PolarHBondContact SG-O 2.87Å; C117-Q148 PolarHBondContact SG-N 3.23Å; C117-Q148 VanDerWaalsContact SG-N 3.38Å; C117-W149 HydrophobicContact CB-CD2 3.98Å; C117-W149 VanDerWaalsContact CB-CE2 3.43Å; C117-W149 HydrophobicContact CB-CG 4.14Å; C117-W149 HydrophobicContact CB-CZ2 3.85Å; C117-W149 VanDerWaalsContact CB-NE1 3.33Å
118D89.1Confident87.4Confident13 Ų1350.7 Ų50.77%0.0730%0.299CS..EExtended strand (participates in β ladder)trans-93.6111.4174.2-175.8-32.1000109C101 F109 S120 T121 S122C101-D118 HydrophobicContact CB-CB 3.57Å; C101-D118 VanDerWaalsContact CB-OD2 3.29Å; C101-D118 WeakPolarHBondContact CB-OD2 3.44Å; C101-D118 PolarHBondContact N-OD2 2.82Å; F109-D118 HydrophobicContact CE1-CB 3.96Å; F109-D118 HydrophobicContact CZ-CB 4.42Å; D118-S120 PolarHBondContact O-N 3.26Å; D118-S120 WeakPolarHBondContact OD1-CB 3.37Å; D118-S120 PolarHBondContact OD1-N 2.79Å; D118-S120 PolarHBondContact OD1-OG 3.15Å; D118-T121 WeakPolarHBondContact CB-OG1 3.38Å; D118-T121 PolarHBondContact O-N 3.26Å; D118-T121 PolarHBondContact O-OG1 3.41Å; D118-S122 VanDerWaalsContact C-OG 3.32Å; D118-S122 PolarHBondContact N-OG 2.84Å; D118-S122 WeakPolarHBondContact O-CB 3.36Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.73Å
119L86.1Confident87.7Confident23 Ų2350.7 Ų50.712%0.1230%0.299CS..THydrogen-bonded Turntrans-53.4-30.4-176.1-80.1140.7000113.8I35 P139 C146I35-L119 HydrophobicContact CD1-CD2 3.88Å; L119-P139 HydrophobicContact CD1-CB 4.12Å; L119-P139 HydrophobicContact CD2-CB 4.08Å; L119-C146 WeakPolarHBondContact CD1-O 2.94Å
120S78.9Confident87.9Confident29 Ų2947.2 Ų47.220%0.20329%0.288CS..THydrogen-bonded Turntrans-80.7-20-176.964.20000114.4D118D118-S120 PolarHBondContact O-N 3.26Å; D118-S120 WeakPolarHBondContact OD1-CB 3.37Å; D118-S120 PolarHBondContact OD1-N 2.79Å; D118-S120 PolarHBondContact OD1-OG 3.15Å
121T81.5Confident88.2Confident74 Ų7449.2 Ų49.245%0.45430%0.299SS..THydrogen-bonded Turntrans-116.7-13.7-177.661.30000113D118 S123D118-T121 WeakPolarHBondContact CB-OG1 3.38Å; D118-T121 PolarHBondContact O-N 3.26Å; D118-T121 PolarHBondContact O-OG1 3.41Å; T121-S123 PolarHBondContact O-N 2.84Å
122S85.5Confident88.5Confident28 Ų2845.3 Ų45.320%0.19628%0.284CS..  trans-79.9104.6-174.1-640000111.3C117 D118 W149C117-S122 WeakPolarHBondContact CB-OG 2.88Å; D118-S122 VanDerWaalsContact C-OG 3.32Å; D118-S122 PolarHBondContact N-OG 2.84Å; D118-S122 WeakPolarHBondContact O-CB 3.36Å; D118-S122 PolarHBondContact O-N 3.47Å; D118-S122 PolarHBondContact O-OG 2.73Å; S122-W149 VanDerWaalsContact CB-CH2 3.48Å
123S84.8Confident88.8Confident42 Ų4243 Ų4329%0.29427%0.27SS..  trans-80.3169.1168.1590000112.1T121 M125 W149 Q165T121-S123 PolarHBondContact O-N 2.84Å; S123-M125 WeakPolarHBondContact O-CG 3.45Å; S123-M125 PolarHBondContact O-N 2.79Å; S123-W149 WeakPolarHBondContact O-CH2 3.37Å; S123-W149 WeakPolarHBondContact O-CZ3 3.12Å; S123-Q165 VanDerWaalsContact CB-NE2 3.28Å
124L89.9Confident89.1Confident7 Ų740.6 Ų40.64%0.03726%0.255CS..  trans-61.8138.9169.6-60.5-178.2000110.1N31 E34 Y134 Q136 F160 Q165N31-L124 HydrophobicContact CB-CD1 4.01Å; E34-L124 HydrophobicContact CG-CD1 3.81Å; E34-L124 HydrophobicContact CG-CG 4.21Å; L124-Y134 HydrophobicContact CB-CD2 4.38Å; L124-Y134 HydrophobicContact CD1-CD2 4.29Å; L124-Y134 HydrophobicContact CD1-CE2 4.07Å; L124-Y134 HydrophobicContact CD2-CD2 3.87Å; L124-Y134 HydrophobicContact CD2-CE2 3.71Å; L124-Y134 HydrophobicContact CG-CD2 4.41Å; L124-Y134 HydrophobicContact CG-CE2 4.43Å; L124-Q136 HydrophobicContact CD2-CB 3.7Å; L124-Q136 HydrophobicContact CD2-CG 3.67Å; L124-F160 HydrophobicContact CB-CE2 3.91Å; L124-F160 HydrophobicContact CB-CZ 3.51Å; L124-F160 HydrophobicContact CD1-CE2 4.1Å; L124-Q165 HydrophobicContact CB-CB 4.2Å; L124-Q165 HydrophobicContact CB-CG 4.39Å; L124-Q165 HydrophobicContact CD1-CB 4.32Å; L124-Q165 WeakPolarHBondContact CD1-O 3.19Å
125M90Very high89.5Confident25 Ų2535.3 Ų35.312%0.12323%0.226CC..EExtended strand (participates in β ladder)trans-128.3150.4-176.2-60-167.6-48.300111.5L111 S123 Y134 M135 W149L111-M125 HydrophobicContact CB-CE 4.21Å; L111-M125 HydrophobicContact CD2-CE 3.43Å; L111-M125 VanDerWaalsContact CD2-CE 3.43Å; L111-M125 HydrophobicContact CD2-SD 3.53Å; L111-M125 VanDerWaalsContact CD2-SD 3.53Å; L111-M125 HydrophobicContact CG-CE 4.39Å; S123-M125 WeakPolarHBondContact O-CG 3.45Å; S123-M125 PolarHBondContact O-N 2.79Å; M125-Y134 CarbonylContact O-C 3.58Å; M125-Y134 WeakPolarHBondContact O-CA 3.38Å; M125-Y134 WeakPolarHBondContact O-CB 3.3Å; M125-M135 HydrophobicContact CB-CB 4.48Å; M125-M135 HydrophobicContact CB-CE 4.5Å; M125-M135 HydrophobicContact CE-CE 3.96Å; M125-M135 PolarHBondContact N-O 2.99Å; M125-M135 PolarHBondContact O-N 2.9Å; M125-W149 HydrophobicContact CE-CD2 3.62Å; M125-W149 HydrophobicContact CE-CE3 3.8Å; M125-W149 HydrophobicContact CE-CG 4.44Å; M125-W149 HydrophobicContact CE-CH2 3.32Å; M125-W149 HydrophobicContact CE-CZ2 3.13Å; M125-W149 HydrophobicContact CE-CZ3 3.66Å; M125-W149 HydrophobicContact CG-CH2 3.77Å; M125-W149 HydrophobicContact CG-CZ2 4.42Å; M125-W149 HydrophobicContact CG-CZ3 4.08Å; M125-W149 HydrophobicContact SD-CH2 3.61Å; M125-W149 HydrophobicContact SD-CZ2 3.66Å; M125-W149 HydrophobicContact SD-CZ3 4.32Å
126P91.4Very high89.6Confident59 Ų5935.4 Ų35.438%0.38323%0.225SC..EExtended strand (participates in β ladder)trans-67143.5174.829.5-34.8000110.5F160 F162P126-F160 HydrophobicContact CB-CD1 4.25Å; P126-F162 HydrophobicContact CG-CB 4.42Å
127Y92.7Very high89.7Confident56 Ų5634.7 Ų34.722%0.2222%0.222CC..  trans-85.6125.7170.3-167.5-112.6000109.3P113 S129 S130 T133 M135P113-Y127 HydrophobicContact CB-CE2 4.08Å; P113-Y127 HydrophobicContact CG-CD2 4.37Å; P113-Y127 HydrophobicContact CG-CE2 3.37Å; Y127-S129 VanDerWaalsContact CD1-OG 3.32Å; Y127-S129 WeakPolarHBondContact CD1-OG 3.5Å; Y127-S129 WeakPolarHBondContact CE1-OG 3.41Å; Y127-S129 PolarHBondContact O-N 3.15Å; Y127-S130 PolarHBondContact O-N 2.97Å; Y127-T133 WeakPolarHBondContact CB-O 3.45Å; Y127-T133 WeakPolarHBondContact CB-OG1 3.43Å; Y127-T133 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T133 PolarHBondContact N-O 2.97Å; Y127-M135 HydrophobicContact CD2-CG 3.62Å; Y127-M135 HydrophobicContact CD2-SD 3.92Å; Y127-M135 HydrophobicContact CE2-CG 4.4Å; Y127-M135 HydrophobicContact CE2-SD 4.39Å
128S89.4Confident89.6Confident107 Ų10736.7 Ų36.775%0.74823%0.232SC*.THydrogen-bonded Turntrans-60.7-32.1-171.852.90000113.7
129S90.4Very high89.5Confident82 Ų8240.4 Ų40.457%0.57326%0.257SS*.THydrogen-bonded Turntrans-94.2-7.5-174.783.60000114.8Y127Y127-S129 VanDerWaalsContact CD1-OG 3.32Å; Y127-S129 WeakPolarHBondContact CD1-OG 3.5Å; Y127-S129 WeakPolarHBondContact CE1-OG 3.41Å; Y127-S129 PolarHBondContact O-N 3.15Å
130S92.9Very high89.4Confident34 Ų3440.7 Ų40.724%0.23826%0.261CS..  trans-155.8124.5176.5168.40000111.9Y127 A132 T133Y127-S130 PolarHBondContact O-N 2.97Å; S130-A132 PolarHBondContact O-N 3.34Å; S130-A132 PolarHBondContact OG-N 3.07Å; S130-T133 VanDerWaalsContact CB-OG1 3.25Å; S130-T133 WeakPolarHBondContact CB-OG1 2.95Å; S130-T133 PolarHBondContact O-N 2.78Å; S130-T133 VanDerWaalsContact O-N 3.15Å; S130-T133 VanDerWaalsContact O-O 3.08Å; S130-T133 PolarHBondContact O-OG1 3.12Å
131P91.6Very high89.4Confident64 Ų6445.2 Ų45.242%0.41629%0.293SS..THydrogen-bonded Turntrans-68.7-17.1176.130.8-35.7000112.5T133 I159 F160P131-T133 PolarHBondContact O-N 2.72Å; P131-I159 HydrophobicContact CB-CG2 4.02Å; P131-I159 CarbonylContact O-C 3.46Å; P131-I159 WeakPolarHBondContact O-CA 3.31Å; P131-F160 PolarHBondContact O-N 3.46Å
132A92.6Very high89Confident39 Ų3951.3 Ų51.332%0.32231%0.308SS..THydrogen-bonded Turntrans-85.56.1175.800000112.9S130 C154 G158S130-A132 PolarHBondContact O-N 3.34Å; S130-A132 PolarHBondContact OG-N 3.07Å; A132-C154 WeakPolarHBondContact O-CB 3.04Å; A132-C154 PolarHBondContact O-N 2.93Å; A132-G158 WeakPolarHBondContact CA-O 3.27Å; A132-G158 WeakPolarHBondContact CB-O 3.37Å
133T93.3Very high88.6Confident26 Ų2653 Ų5316%0.1631%0.309CS..EExtended strand (participates in β ladder)trans-131.7147.1178.152.20000109.7Y127 S130 P131 R152 P153Y127-T133 WeakPolarHBondContact CB-O 3.45Å; Y127-T133 WeakPolarHBondContact CB-OG1 3.43Å; Y127-T133 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T133 PolarHBondContact N-O 2.97Å; S130-T133 VanDerWaalsContact CB-OG1 3.25Å; S130-T133 WeakPolarHBondContact CB-OG1 2.95Å; S130-T133 PolarHBondContact O-N 2.78Å; S130-T133 VanDerWaalsContact O-N 3.15Å; S130-T133 VanDerWaalsContact O-O 3.08Å; S130-T133 PolarHBondContact O-OG1 3.12Å; P131-T133 PolarHBondContact O-N 2.72Å; T133-R152 WeakPolarHBondContact CA-O 3.28Å; T133-P153 HydrophobicContact CG2-CB 4.45Å
134Y93.8Very high88.2Confident1 Ų158.8 Ų58.80%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-130.2162.6175.666.3-85.1000110N31 N33 L124 M125 Q136 S151 R152 F160N31-Y134 PolarHBondContact ND2-OH 3.16Å; N33-Y134 PolarHBondContact ND2-OH 3.07Å; N33-Y134 VanDerWaalsContact ND2-OH 3.17Å; L124-Y134 HydrophobicContact CB-CD2 4.38Å; L124-Y134 HydrophobicContact CD1-CD2 4.29Å; L124-Y134 HydrophobicContact CD1-CE2 4.07Å; L124-Y134 HydrophobicContact CD2-CD2 3.87Å; L124-Y134 HydrophobicContact CD2-CE2 3.71Å; L124-Y134 HydrophobicContact CG-CD2 4.41Å; L124-Y134 HydrophobicContact CG-CE2 4.43Å; M125-Y134 CarbonylContact O-C 3.58Å; M125-Y134 WeakPolarHBondContact O-CA 3.38Å; M125-Y134 WeakPolarHBondContact O-CB 3.3Å; Y134-Q136 HydrophobicContact CE2-CB 4.27Å; Y134-S151 CarbonylContact O-C 3.45Å; Y134-S151 WeakPolarHBondContact O-CA 3.34Å; Y134-R152 HydrophobicContact CD1-CB 4.16Å; Y134-R152 VanDerWaalsContact CD1-O 3.3Å; Y134-R152 WeakPolarHBondContact CD1-O 3.03Å; Y134-R152 HydrophobicContact CD2-CB 4.18Å; Y134-R152 HydrophobicContact CE1-CB 3.66Å; Y134-R152 HydrophobicContact CE2-CB 3.69Å; Y134-R152 HydrophobicContact CE2-CG 4.07Å; Y134-R152 HydrophobicContact CG-CB 4.4Å; Y134-R152 VanDerWaalsContact CZ-CB 3.4Å; Y134-R152 PolarHBondContact N-O 3.3Å; Y134-R152 PolarHBondContact O-N 3.29Å; Y134-F160 VanDerWaalsContact CB-CD2 3.49Å; Y134-F160 VanDerWaalsContact CB-CG 3.45Å; Y134-F160 AromaticContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CE2 4.48Å; Y134-F160 HydrophobicContact CD1-CG 4.46Å; Y134-F160 HydrophobicContact CD2-CD2 4.45Å; Y134-F160 HydrophobicContact CD2-CE2 4.24Å; Y134-F160 AromaticContact CG-CD2 3.72Å; Y134-F160 HydrophobicContact CG-CD2 3.72Å; Y134-F160 AromaticContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CG 4.18Å
135M93.6Very high87.8Confident8 Ų860.1 Ų60.14%0.03933%0.33CS..EExtended strand (participates in β ladder)trans-104.2136.5174.2-64.4-171.7-72.100110.1M125 Y127 W149 M150M125-M135 HydrophobicContact CB-CB 4.48Å; M125-M135 HydrophobicContact CB-CE 4.5Å; M125-M135 HydrophobicContact CE-CE 3.96Å; M125-M135 PolarHBondContact N-O 2.99Å; M125-M135 PolarHBondContact O-N 2.9Å; Y127-M135 HydrophobicContact CD2-CG 3.62Å; Y127-M135 HydrophobicContact CD2-SD 3.92Å; Y127-M135 HydrophobicContact CE2-CG 4.4Å; Y127-M135 HydrophobicContact CE2-SD 4.39Å; M135-W149 HydrophobicContact CB-CD2 4.42Å; M135-W149 HydrophobicContact CB-CE3 3.75Å; M135-W149 HydrophobicContact CB-CZ3 4.38Å; M135-W149 HydrophobicContact SD-CB 4.41Å; M135-M150 WeakPolarHBondContact CA-O 3.41Å
136Q92.6Very high87.7Confident8 Ų859.1 Ų59.14%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-125134.7174.3-178.1176.510.100109.8N33 L124 Y134 L138 W149 M150 R152N33-Q136 PolarHBondContact O-NE2 3.38Å; L124-Q136 HydrophobicContact CD2-CB 3.7Å; L124-Q136 HydrophobicContact CD2-CG 3.67Å; Y134-Q136 HydrophobicContact CE2-CB 4.27Å; Q136-L138 HydrophobicContact CG-CD2 3.85Å; Q136-L138 HydrophobicContact CG-CG 4.41Å; Q136-L138 PolarHBondContact O-N 2.02Å; Q136-W149 VanDerWaalsContact C-CE3 3.41Å; Q136-M150 PolarHBondContact N-O 3.49Å; Q136-M150 PolarHBondContact O-N 3.25Å; Q136-R152 HydrophobicContact CB-CG 4.17Å
137C92Very high87.6Confident3 Ų356.3 Ų56.32%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-77.9112173.5-176.10000109.3C117 W149C117-C137 HydrophobicContact CB-CB 3.82Å; C117-C137 WeakPolarHBondContact CB-SG 3.32Å; C117-C137 WeakPolarHBondContact SG-CA 3.37Å; C117-C137 WeakPolarHBondContact SG-CB 3.41Å; C117-C137 CovalentContact SG-SG 2.02Å; C117-C137 PolarHBondContact SG-SG 2.94Å; C137-W149 HydrophobicContact CB-CD2 4.41Å; C137-W149 HydrophobicContact CB-CE3 4.02Å; C137-W149 HydrophobicContact CB-CH2 4.09Å; C137-W149 HydrophobicContact CB-CZ2 4.45Å; C137-W149 HydrophobicContact CB-CZ3 3.87Å; C137-W149 VanDerWaalsContact N-CE3 3.32Å; C137-W149 VanDerWaalsContact N-CZ3 3.34Å
138L89.5Confident87.6Confident42 Ų4257.8 Ų57.822%0.2232%0.316CS..EExtended strand (participates in β ladder)trans-107.3146.9178.5-67.5-168.3000111.6Q136 S140 G147 Q148 M150Q136-L138 HydrophobicContact CG-CD2 3.85Å; Q136-L138 HydrophobicContact CG-CG 4.41Å; Q136-L138 PolarHBondContact O-N 2.02Å; L138-S140 PolarHBondContact O-N 2.89Å; L138-G147 CarbonylContact O-C 3.23Å; L138-G147 WeakPolarHBondContact O-CA 3.39Å; L138-Q148 PolarHBondContact N-O 3.02Å; L138-Q148 PolarHBondContact O-N 3.14Å; L138-M150 HydrophobicContact CB-SD 4.09Å; L138-M150 HydrophobicContact CD1-CB 4.37Å; L138-M150 HydrophobicContact CD1-CE 3.29Å; L138-M150 HydrophobicContact CD1-CG 4.49Å; L138-M150 HydrophobicContact CD1-SD 3.6Å; L138-M150 VanDerWaalsContact CD1-SD 3.6Å; L138-M150 HydrophobicContact CG-CE 4.39Å; L138-M150 HydrophobicContact CG-SD 4.23Å
139P87.1Confident87.7Confident92 Ų9253 Ų5360%0.59728%0.282SS*.EExtended strand (participates in β ladder)trans-63.5128.8-175.223.7-32.2000111.7L119L119-P139 HydrophobicContact CD1-CB 4.12Å; L119-P139 HydrophobicContact CD2-CB 4.08Å
140S84.5Confident87.8Confident28 Ų2852.7 Ų52.720%0.19627%0.272CS..  trans-86.1131.9174.7-174.30000109.6L138 R142 R143 C146L138-S140 PolarHBondContact O-N 2.89Å; S140-R142 PolarHBondContact O-N 2.81Å; S140-R143 PolarHBondContact O-N 3.38Å; S140-R143 VanDerWaalsContact O-N 3.09Å; S140-C146 PolarHBondContact N-O 2Å
141S77.4Confident87.8Confident125 Ų12554.1 Ų54.187%0.87428%0.282SS*.THydrogen-bonded Turntrans-53.8-23.1-178.458.50000114.2
142R74.1Confident87.9Confident202 Ų20255.2 Ų55.276%0.76228%0.277SS*.THydrogen-bonded Turntrans-88.5-18-175.2-62.1-174.9177.7-170.4-1.7113.9S140S140-R142 PolarHBondContact O-N 2.81Å
143R77.4Confident87.9Confident62 Ų6257.7 Ų57.723%0.23429%0.29CS..  trans-146.1111.6-167.8-68.4179.2167.3-143.6-30.5111.4Y102 R104 E107 S140 Y145 C146Y102-R143 PolarHBondContact O-NH1 2.8Å; R104-R143 VanDerWaalsContact CG-CZ 3.47Å; E107-R143 IonicContact OE2-CZ 3.39Å; E107-R143 IonicContact OE2-NH1 3.55Å; E107-R143 PolarHBondContact OE2-NH1 3.34Å; S140-R143 PolarHBondContact O-N 3.38Å; S140-R143 VanDerWaalsContact O-N 3.09Å; R143-Y145 PolarHBondContact O-N 2.9Å; R143-Y145 VanDerWaalsContact O-N 3.09Å; R143-C146 HydrophobicContact CB-CB 3.78Å; R143-C146 PolarHBondContact O-N 2.89Å
144R76.7Confident87.8Confident165 Ų16557.1 Ų57.162%0.62329%0.287SS*.THydrogen-bonded Turntrans-60.4-24.1-175.9-58.5-173.3-156.7-148.70.5115.3
145Y80.1Confident87.5Confident34 Ų3458.7 Ų58.713%0.13329%0.294CS..THydrogen-bonded Turntrans-108-6-174.3-55.7-75.4000112.9Y83 R99 C101 R143Y83-Y145 AromaticContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CD1 3.43Å; Y83-Y145 VanDerWaalsContact CD1-CD1 3.43Å; Y83-Y145 HydrophobicContact CD1-CE1 4.08Å; Y83-Y145 HydrophobicContact CD1-CG 4.47Å; Y83-Y145 HydrophobicContact CD2-CD1 4.21Å; Y83-Y145 HydrophobicContact CD2-CE1 4.03Å; Y83-Y145 AromaticContact CE1-CD1 3.84Å; Y83-Y145 HydrophobicContact CE1-CD1 3.84Å; Y83-Y145 AromaticContact CG-CD1 3.59Å; Y83-Y145 HydrophobicContact CG-CD1 3.59Å; Y83-Y145 AromaticContact CG-CE1 3.75Å; Y83-Y145 HydrophobicContact CG-CE1 3.75Å; R99-Y145 HydrophobicContact CB-CD1 4.29Å; R99-Y145 HydrophobicContact CB-CD2 3.89Å; R99-Y145 HydrophobicContact CB-CE1 4.06Å; R99-Y145 HydrophobicContact CB-CE2 3.61Å; R99-Y145 HydrophobicContact CB-CG 4.23Å; R99-Y145 HydrophobicContact CG-CE2 4.3Å; R99-Y145 VanDerWaalsContact O-CD1 3.25Å; R99-Y145 WeakPolarHBondContact O-CD1 3.4Å; C101-Y145 WeakPolarHBondContact CB-O 3.22Å; R143-Y145 PolarHBondContact O-N 2.9Å; R143-Y145 VanDerWaalsContact O-N 3.09Å
146C88Confident87.2Confident4 Ų464.4 Ų64.43%0.02734%0.335CS..EExtended strand (participates in β ladder)trans-124.7140.8-172.3-58.70000111.1C101 F116 C117 L119 S140 R143C101-C146 WeakPolarHBondContact CA-SG 3.05Å; C101-C146 HydrophobicContact CB-CB 4.18Å; C101-C146 WeakPolarHBondContact CB-SG 3.45Å; C101-C146 WeakPolarHBondContact SG-CA 3.38Å; C101-C146 WeakPolarHBondContact SG-CB 3.19Å; C101-C146 CovalentContact SG-SG 2.03Å; C101-C146 PolarHBondContact SG-SG 3.28Å; F116-C146 HydrophobicContact CD2-CB 4.34Å; F116-C146 HydrophobicContact CE1-CB 3.95Å; F116-C146 HydrophobicContact CE2-CB 3.39Å; F116-C146 HydrophobicContact CZ-CB 3.19Å; F116-C146 WeakPolarHBondContact CZ-SG 3.08Å; C117-C146 WeakPolarHBondContact O-CA 3.37Å; L119-C146 WeakPolarHBondContact CD1-O 2.94Å; S140-C146 PolarHBondContact N-O 2Å; R143-C146 HydrophobicContact CB-CB 3.78Å; R143-C146 PolarHBondContact O-N 2.89Å
147G90.3Very high86.8Confident0 Ų066.3 Ų66.30%036%0.357CS..EExtended strand (participates in β ladder)trans-116.4-176.2175.100000112.4C117 L138C117-G147 PolarHBondContact N-O 3.22Å; C117-G147 PolarHBondContact O-N 2.04Å; C117-G147 VanDerWaalsContact SG-CA 3.55Å; C117-G147 PolarHBondContact SG-O 2.87Å; L138-G147 CarbonylContact O-C 3.23Å; L138-G147 WeakPolarHBondContact O-CA 3.39Å
148Q91.7Very high86.6Confident88 Ų8866.2 Ų66.241%0.41136%0.357SS..EExtended strand (participates in β ladder)trans-123.2141.9164.4-71.1174.6-3900108.9G115 C117 L138 M150G115-Q148 CarbonylContact O-C 3.55Å; G115-Q148 WeakPolarHBondContact O-CA 3.5Å; C117-Q148 PolarHBondContact SG-N 3.23Å; C117-Q148 VanDerWaalsContact SG-N 3.38Å; L138-Q148 PolarHBondContact N-O 3.02Å; L138-Q148 PolarHBondContact O-N 3.14Å; Q148-M150 PolarHBondContact O-N 3.12Å
149W92.7Very high86.6Confident7 Ų767.6 Ų67.63%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-67124171.9-71.9113.7000109.6A110 T112 N114 G115 C117 S122 S123 M125 M135 Q136 C137A110-W149 PolarHBondContact O-NE1 3.37Å; T112-W149 WeakPolarHBondContact O-CB 3.3Å; N114-W149 VanDerWaalsContact CA-O 3.28Å; N114-W149 WeakPolarHBondContact CA-O 3.42Å; N114-W149 PolarHBondContact N-O 2.92Å; G115-W149 PolarHBondContact O-N 3.22Å; C117-W149 HydrophobicContact CB-CD2 3.98Å; C117-W149 VanDerWaalsContact CB-CE2 3.43Å; C117-W149 HydrophobicContact CB-CG 4.14Å; C117-W149 HydrophobicContact CB-CZ2 3.85Å; C117-W149 VanDerWaalsContact CB-NE1 3.33Å; S122-W149 VanDerWaalsContact CB-CH2 3.48Å; S123-W149 WeakPolarHBondContact O-CH2 3.37Å; S123-W149 WeakPolarHBondContact O-CZ3 3.12Å; M125-W149 HydrophobicContact CE-CD2 3.62Å; M125-W149 HydrophobicContact CE-CE3 3.8Å; M125-W149 HydrophobicContact CE-CG 4.44Å; M125-W149 HydrophobicContact CE-CH2 3.32Å; M125-W149 HydrophobicContact CE-CZ2 3.13Å; M125-W149 HydrophobicContact CE-CZ3 3.66Å; M125-W149 HydrophobicContact CG-CH2 3.77Å; M125-W149 HydrophobicContact CG-CZ2 4.42Å; M125-W149 HydrophobicContact CG-CZ3 4.08Å; M125-W149 HydrophobicContact SD-CH2 3.61Å; M125-W149 HydrophobicContact SD-CZ2 3.66Å; M125-W149 HydrophobicContact SD-CZ3 4.32Å; M135-W149 HydrophobicContact CB-CD2 4.42Å; M135-W149 HydrophobicContact CB-CE3 3.75Å; M135-W149 HydrophobicContact CB-CZ3 4.38Å; M135-W149 HydrophobicContact SD-CB 4.41Å; Q136-W149 VanDerWaalsContact C-CE3 3.41Å; C137-W149 HydrophobicContact CB-CD2 4.41Å; C137-W149 HydrophobicContact CB-CE3 4.02Å; C137-W149 HydrophobicContact CB-CH2 4.09Å; C137-W149 HydrophobicContact CB-CZ2 4.45Å; C137-W149 HydrophobicContact CB-CZ3 3.87Å; C137-W149 VanDerWaalsContact N-CE3 3.32Å; C137-W149 VanDerWaalsContact N-CZ3 3.34Å
150M92.2Very high86.8Confident75 Ų7563.3 Ų63.337%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-118.7136.7173.1-73.5-179.529.600109.7M135 Q136 L138 Q148M135-M150 WeakPolarHBondContact CA-O 3.41Å; Q136-M150 PolarHBondContact N-O 3.49Å; Q136-M150 PolarHBondContact O-N 3.25Å; L138-M150 HydrophobicContact CB-SD 4.09Å; L138-M150 HydrophobicContact CD1-CB 4.37Å; L138-M150 HydrophobicContact CD1-CE 3.29Å; L138-M150 HydrophobicContact CD1-CG 4.49Å; L138-M150 HydrophobicContact CD1-SD 3.6Å; L138-M150 VanDerWaalsContact CD1-SD 3.6Å; L138-M150 HydrophobicContact CG-CE 4.39Å; L138-M150 HydrophobicContact CG-SD 4.23Å; Q148-M150 PolarHBondContact O-N 3.12Å
151S93.3Very high87Confident63 Ų6363.6 Ų63.644%0.44133%0.334SS..EExtended strand (participates in β ladder)trans-72.2135.3172.755.70000110.4Y134Y134-S151 CarbonylContact O-C 3.45Å; Y134-S151 WeakPolarHBondContact O-CA 3.34Å
152R92.6Very high87.4Confident87 Ų8760.1 Ų60.133%0.32830%0.304SS..EExtended strand (participates in β ladder)trans-126.9126.5176-59.7-69.4-88.8176.6-4.1108N33 T133 Y134 Q136N33-R152 PolarHBondContact OD1-NH2 2.86Å; T133-R152 WeakPolarHBondContact CA-O 3.28Å; Y134-R152 HydrophobicContact CD1-CB 4.16Å; Y134-R152 VanDerWaalsContact CD1-O 3.3Å; Y134-R152 WeakPolarHBondContact CD1-O 3.03Å; Y134-R152 HydrophobicContact CD2-CB 4.18Å; Y134-R152 HydrophobicContact CE1-CB 3.66Å; Y134-R152 HydrophobicContact CE2-CB 3.69Å; Y134-R152 HydrophobicContact CE2-CG 4.07Å; Y134-R152 HydrophobicContact CG-CB 4.4Å; Y134-R152 VanDerWaalsContact CZ-CB 3.4Å; Y134-R152 PolarHBondContact N-O 3.3Å; Y134-R152 PolarHBondContact O-N 3.29Å; Q136-R152 HydrophobicContact CB-CG 4.17Å
153P93.3Very high87.7Confident92 Ų9254.8 Ų54.860%0.59729%0.288SS*.EExtended strand (participates in β ladder)trans-71.2144.217330.5-33000110T133T133-P153 HydrophobicContact CG2-CB 4.45Å
154C91.5Very high87.9Confident14 Ų1452.8 Ų52.810%0.09528%0.282CS..PPolyproline II helixtrans-69.7164.6159.3-72.10000109.9A132 C167A132-C154 WeakPolarHBondContact O-CB 3.04Å; A132-C154 PolarHBondContact O-N 2.93Å; C154-C167 WeakPolarHBondContact CA-SG 3.03Å; C154-C167 HydrophobicContact CB-CB 3.62Å; C154-C167 WeakPolarHBondContact CB-SG 3.39Å; C154-C167 WeakPolarHBondContact SG-CB 3.39Å; C154-C167 CovalentContact SG-SG 2.04Å; C154-C167 PolarHBondContact SG-SG 3.13Å
155F87.5Confident88.4Confident33 Ų3345.8 Ų45.815%0.14526%0.257CS..SBendtrans-57.2160.316959.9-93.5000111.7L62 P63 G157 G158 C167L62-F155 HydrophobicContact CD2-CD1 4.47Å; L62-F155 HydrophobicContact CD2-CE1 3.45Å; L62-F155 VanDerWaalsContact CD2-CE1 3.45Å; L62-F155 HydrophobicContact CD2-CE2 4.04Å; L62-F155 HydrophobicContact CD2-CZ 3.19Å; P63-F155 HydrophobicContact CG-CB 3.59Å; P63-F155 HydrophobicContact CG-CD1 4.2Å; P63-F155 HydrophobicContact CG-CG 4.09Å; F155-G157 PolarHBondContact O-N 3.39Å; F155-G157 VanDerWaalsContact O-N 3.15Å; F155-G158 WeakPolarHBondContact O-CA 3.4Å; F155-G158 PolarHBondContact O-N 2.02Å; F155-C167 HydrophobicContact CD1-CB 3.91Å; F155-C167 HydrophobicContact CE1-CB 3.56Å; F155-C167 WeakPolarHBondContact CE1-O 3.33Å; F155-C167 HydrophobicContact CZ-CB 4.5Å
156S86.1Confident88.9Confident129 Ų12944.4 Ų44.490%0.90225%0.252SS*.THydrogen-bonded Turntrans-55119.1-177.7-54.30000112.3G158S156-G158 VanDerWaalsContact C-N 3.3Å
157G85Confident88.9Confident48 Ų4844.6 Ų44.650%0.49525%0.253SS..THydrogen-bonded Turntrans83.20.8-175.600000114.9F155 S170F155-G157 PolarHBondContact O-N 3.39Å; F155-G157 VanDerWaalsContact O-N 3.15Å; G157-S170 WeakPolarHBondContact O-CB 3.37Å; G157-S170 PolarHBondContact O-N 2.92Å; G157-S170 PolarHBondContact O-OG 3.01Å; G157-S170 VanDerWaalsContact O-OG 3.12Å
158G87.7Confident88.8Confident1 Ų145.2 Ų45.21%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-78.8140.7175.400000112.6A132 F155 S156 L168A132-G158 WeakPolarHBondContact CA-O 3.27Å; A132-G158 WeakPolarHBondContact CB-O 3.37Å; F155-G158 WeakPolarHBondContact O-CA 3.4Å; F155-G158 PolarHBondContact O-N 2.02Å; S156-G158 VanDerWaalsContact C-N 3.3Å; G158-L168 CarbonylContact C-O 3.57Å; G158-L168 WeakPolarHBondContact CA-O 3.04Å
159I90.3Very high88.4Confident70 Ų7042.4 Ų42.436%0.35925%0.246SC..EExtended strand (participates in β ladder)trans-116.8132171.1-66.4171.7000107.7P131 N161 L168 S170P131-I159 HydrophobicContact CB-CG2 4.02Å; P131-I159 CarbonylContact O-C 3.46Å; P131-I159 WeakPolarHBondContact O-CA 3.31Å; I159-N161 PolarHBondContact O-N 3.46Å; I159-L168 PolarHBondContact N-O 3.48Å; I159-L168 PolarHBondContact O-N 2.03Å; I159-S170 VanDerWaalsContact CD1-CB 3.46Å
160F90.9Very high87.6Confident3 Ų345.3 Ų45.31%0.01327%0.267CS..EExtended strand (participates in β ladder)trans-74.4121.4175.8-177.5-104.9000110.6L124 P126 P131 Y134 F162 Q165L124-F160 HydrophobicContact CB-CE2 3.91Å; L124-F160 HydrophobicContact CB-CZ 3.51Å; L124-F160 HydrophobicContact CD1-CE2 4.1Å; P126-F160 HydrophobicContact CB-CD1 4.25Å; P131-F160 PolarHBondContact O-N 3.46Å; Y134-F160 VanDerWaalsContact CB-CD2 3.49Å; Y134-F160 VanDerWaalsContact CB-CG 3.45Å; Y134-F160 AromaticContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CD2 3.93Å; Y134-F160 HydrophobicContact CD1-CE2 4.48Å; Y134-F160 HydrophobicContact CD1-CG 4.46Å; Y134-F160 HydrophobicContact CD2-CD2 4.45Å; Y134-F160 HydrophobicContact CD2-CE2 4.24Å; Y134-F160 AromaticContact CG-CD2 3.72Å; Y134-F160 HydrophobicContact CG-CD2 3.72Å; Y134-F160 AromaticContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CE2 3.94Å; Y134-F160 HydrophobicContact CG-CG 4.18Å; F160-F162 HydrophobicContact CE1-CB 4.22Å; F160-Q165 HydrophobicContact CZ-CB 4.38Å
161N87.7Confident86.5Confident33 Ų3345.5 Ų45.518%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-97.3110173-173.9-52.2000109.1I159 M163 L164 Q165 L166 L168I159-N161 PolarHBondContact O-N 3.46Å; N161-M163 VanDerWaalsContact C-N 3.27Å; N161-M163 PolarHBondContact O-N 3.36Å; N161-M163 WeakPolarHBondContact OD1-CA 3.42Å; N161-M163 VanDerWaalsContact OD1-CB 3.3Å; N161-M163 WeakPolarHBondContact OD1-CB 3.5Å; N161-M163 PolarHBondContact OD1-N 3.11Å; N161-L164 HydrophobicContact CB-CB 4.39Å; N161-L164 PolarHBondContact O-N 3.13Å; N161-L164 PolarHBondContact OD1-N 3.14Å; N161-Q165 WeakPolarHBondContact O-CA 3.41Å; N161-Q165 PolarHBondContact O-N 2.78Å; N161-L166 PolarHBondContact N-O 2.7Å; N161-L166 PolarHBondContact O-N 3.14Å; N161-L168 HydrophobicContact CB-CD1 3.42Å; N161-L168 VanDerWaalsContact CB-CD1 3.42Å; N161-L168 HydrophobicContact CB-CG 3.99Å
162F85.7Confident85.2Confident52 Ų5243.2 Ų43.223%0.22826%0.259CS..THydrogen-bonded Turntrans-61.6-34-179.4170-103.8000113.1P126 F160 Q165 M212 M299P126-F162 HydrophobicContact CG-CB 4.42Å; F160-F162 HydrophobicContact CE1-CB 4.22Å; F162-Q165 WeakPolarHBondContact O-CG 3.46Å; F162-Q165 PolarHBondContact O-N 3.38Å; F162-M212 HydrophobicContact CE1-CE 4.35Å; F162-M299 HydrophobicContact CB-SD 4.31Å
163M80.7Confident83.6Confident90 Ų9043.1 Ų43.144%0.44328%0.277SS..THydrogen-bonded Turntrans-63.8-45.2178.5-66.7-62.7-72.300110.6N161 I181 V210 M212N161-M163 VanDerWaalsContact C-N 3.27Å; N161-M163 PolarHBondContact O-N 3.36Å; N161-M163 WeakPolarHBondContact OD1-CA 3.42Å; N161-M163 VanDerWaalsContact OD1-CB 3.3Å; N161-M163 WeakPolarHBondContact OD1-CB 3.5Å; N161-M163 PolarHBondContact OD1-N 3.11Å; M163-I181 HydrophobicContact CB-CD1 4.4Å; M163-V210 VanDerWaalsContact O-CG1 3.3Å; M163-V210 WeakPolarHBondContact O-CG1 3.48Å; M163-M212 HydrophobicContact CB-CE 4.42Å; M163-M212 HydrophobicContact CE-CE 4.13Å; M163-M212 WeakPolarHBondContact O-CE 3.19Å; M163-M212 HydrophobicContact SD-CE 3.69Å
164L81.8Confident82.2Confident20 Ų2047.4 Ų47.411%0.10529%0.291CS..THydrogen-bonded Turntrans-84-17.5179.2-59.8-168.5000113.7N161 L166 L168 I181 V183 M205 V210N161-L164 HydrophobicContact CB-CB 4.39Å; N161-L164 PolarHBondContact O-N 3.13Å; N161-L164 PolarHBondContact OD1-N 3.14Å; L164-L166 HydrophobicContact CB-CB 4.08Å; L164-L166 HydrophobicContact CB-CD1 4.15Å; L164-L166 HydrophobicContact CB-CG 4.14Å; L164-L166 WeakPolarHBondContact O-CG 3.41Å; L164-L166 PolarHBondContact O-N 2.89Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.22Å; L164-I181 HydrophobicContact CD1-CB 4.33Å; L164-I181 HydrophobicContact CD1-CG2 3.74Å; L164-I181 HydrophobicContact CD2-CD1 4.04Å; L164-I181 HydrophobicContact CG-CD1 4.34Å; L164-I181 HydrophobicContact CG-CG2 4.25Å; L164-V183 HydrophobicContact CD1-CG2 4.22Å; L164-M205 HydrophobicContact CD1-CE 3.69Å; L164-M205 HydrophobicContact CD2-CE 3.51Å; L164-M205 HydrophobicContact CG-CE 4.21Å; L164-V210 HydrophobicContact CD2-CG2 3.52Å
165Q88.4Confident81.4Confident18 Ų1847 Ų478%0.08429%0.289CS..THydrogen-bonded Turntrans55.531.6-166.9-61.11795.100112.7S123 L124 F160 N161 F162S123-Q165 VanDerWaalsContact CB-NE2 3.28Å; L124-Q165 HydrophobicContact CB-CB 4.2Å; L124-Q165 HydrophobicContact CB-CG 4.39Å; L124-Q165 HydrophobicContact CD1-CB 4.32Å; L124-Q165 WeakPolarHBondContact CD1-O 3.19Å; F160-Q165 HydrophobicContact CZ-CB 4.38Å; N161-Q165 WeakPolarHBondContact O-CA 3.41Å; N161-Q165 PolarHBondContact O-N 2.78Å; F162-Q165 WeakPolarHBondContact O-CG 3.46Å; F162-Q165 PolarHBondContact O-N 3.38Å
166L88.7Confident81.2Confident5 Ų546.8 Ų46.83%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-123.9148.8-177.1-66.7175.3000110.8L29 N31 L65 N161 L164 L168L29-L166 HydrophobicContact CB-CD1 4Å; N31-L166 HydrophobicContact CB-CD2 3.96Å; N31-L166 VanDerWaalsContact N-CD2 3.34Å; L65-L166 HydrophobicContact CD1-CD1 3.93Å; L65-L166 HydrophobicContact CD1-CD2 3.91Å; N161-L166 PolarHBondContact N-O 2.7Å; N161-L166 PolarHBondContact O-N 3.14Å; L164-L166 HydrophobicContact CB-CB 4.08Å; L164-L166 HydrophobicContact CB-CD1 4.15Å; L164-L166 HydrophobicContact CB-CG 4.14Å; L164-L166 WeakPolarHBondContact O-CG 3.41Å; L164-L166 PolarHBondContact O-N 2.89Å; L166-L168 HydrophobicContact CB-CD2 3.93Å
167C89.4Confident81.2Confident8 Ų843.6 Ų43.65%0.05427%0.267CS..EExtended strand (participates in β ladder)trans-79.9125.7162-670000109C154 F155C154-C167 WeakPolarHBondContact CA-SG 3.03Å; C154-C167 HydrophobicContact CB-CB 3.62Å; C154-C167 WeakPolarHBondContact CB-SG 3.39Å; C154-C167 WeakPolarHBondContact SG-CB 3.39Å; C154-C167 CovalentContact SG-SG 2.04Å; C154-C167 PolarHBondContact SG-SG 3.13Å; F155-C167 HydrophobicContact CD1-CB 3.91Å; F155-C167 HydrophobicContact CE1-CB 3.56Å; F155-C167 WeakPolarHBondContact CE1-O 3.33Å; F155-C167 HydrophobicContact CZ-CB 4.5Å
168L86.9Confident80.9Confident14 Ų1450.8 Ų50.87%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-119.9148.8-178-52177.3000109.5G158 I159 N161 L164 L166 S170 I181 P182 V183G158-L168 CarbonylContact C-O 3.57Å; G158-L168 WeakPolarHBondContact CA-O 3.04Å; I159-L168 PolarHBondContact N-O 3.48Å; I159-L168 PolarHBondContact O-N 2.03Å; N161-L168 HydrophobicContact CB-CD1 3.42Å; N161-L168 VanDerWaalsContact CB-CD1 3.42Å; N161-L168 HydrophobicContact CB-CG 3.99Å; L164-L168 HydrophobicContact CD1-CD1 3.99Å; L164-L168 HydrophobicContact CD1-CD2 4.22Å; L166-L168 HydrophobicContact CB-CD2 3.93Å; L168-S170 PolarHBondContact O-N 3.26Å; L168-I181 HydrophobicContact CD1-CG2 4.32Å; L168-P182 WeakPolarHBondContact CD1-O 3.41Å; L168-V183 HydrophobicContact CD2-CG1 4.24Å
169S83.2Confident80.7Confident28 Ų2854 Ų5420%0.19631%0.31CS..EExtended strand (participates in β ladder)trans-71133.3176.9-168.70000110.6S171 M172S169-S171 PolarHBondContact O-N 3.4Å; S169-S171 PolarHBondContact OG-OG 2.76Å; S169-M172 VanDerWaalsContact CB-SD 3.56Å; S169-M172 PolarHBondContact O-N 3.15Å
170S75.9Confident80.5Confident68 Ų6853.7 Ų53.748%0.47631%0.305SS..G310 helixtrans-60.9-24.9178.762.10000113.9G157 I159 L168 M172G157-S170 WeakPolarHBondContact O-CB 3.37Å; G157-S170 PolarHBondContact O-N 2.92Å; G157-S170 PolarHBondContact O-OG 3.01Å; G157-S170 VanDerWaalsContact O-OG 3.12Å; I159-S170 VanDerWaalsContact CD1-CB 3.46Å; L168-S170 PolarHBondContact O-N 3.26Å; S170-M172 PolarHBondContact O-N 3.02Å; S170-M172 VanDerWaalsContact O-N 3.15Å
171S70.5Confident80.1Confident80 Ų8054.9 Ų54.956%0.55931%0.311SS*.G310 helixtrans-72.1-1.1-17655.10000115.5S169S169-S171 PolarHBondContact O-N 3.4Å; S169-S171 PolarHBondContact OG-OG 2.76Å
172M64.5Low80Confident15 Ų1554.8 Ų54.87%0.07431%0.312CS..G310 helixtrans-103.89.9-165.4-62.7166-177.200114.7S169 S170 M174 P182 T184 Q185S169-M172 VanDerWaalsContact CB-SD 3.56Å; S169-M172 PolarHBondContact O-N 3.15Å; S170-M172 PolarHBondContact O-N 3.02Å; S170-M172 VanDerWaalsContact O-N 3.15Å; M172-M174 PolarHBondContact O-N 2.75Å; M172-P182 HydrophobicContact CB-CB 4.14Å; M172-P182 VanDerWaalsContact O-CB 3.32Å; M172-P182 WeakPolarHBondContact O-CB 3.32Å; M172-T184 VanDerWaalsContact SD-C 3.56Å; M172-T184 WeakPolarHBondContact SD-CA 3.3Å; M172-Q185 HydrophobicContact CE-CG 4.06Å; M172-Q185 HydrophobicContact CG-CG 4.19Å
173A59.2Low79.9Confident85 Ų8552.3 Ų52.370%0.70230%0.302SS*.THydrogen-bonded Turntrans-69.6-3.6-168.700000116.4
174M63.8Low80.1Confident181 Ų18148.1 Ų48.189%0.89228%0.281SS*.THydrogen-bonded Turntrans-112.92.6-165.4-62.3-150.3-66.800117.2M172M172-M174 PolarHBondContact O-N 2.75Å
175G75.2Confident80.2Confident5 Ų552 Ų525%0.05230%0.299CS..SBendtrans-110.2-16.3-173.100000117.5Q200G175-Q200 PolarHBondContact O-OE1 2.9Å
176C84.6Confident80.2Confident29 Ų2952.1 Ų52.120%0.19630%0.301CS..SBendtrans-101.1137-172.5-59.60000112P182 C204C176-P182 WeakPolarHBondContact SG-CA 3.05Å; C176-P182 VanDerWaalsContact SG-CB 3.59Å; C176-C204 WeakPolarHBondContact CA-SG 3.41Å; C176-C204 HydrophobicContact CB-CB 3.88Å; C176-C204 WeakPolarHBondContact CB-SG 3.03Å; C176-C204 VanDerWaalsContact SG-CA 3.51Å; C176-C204 WeakPolarHBondContact SG-CB 3.47Å; C176-C204 CovalentContact SG-SG 2.02Å; C176-C204 PolarHBondContact SG-SG 2.67Å
177P84.6Confident79.9Confident62 Ų6252.3 Ų52.340%0.40330%0.303SS..  trans-65.5157.6171.623.8-25.3000110.6S179 Y180 M199P177-S179 PolarHBondContact O-N 3.04Å; P177-Y180 HydrophobicContact CG-CD2 3.67Å; P177-Y180 HydrophobicContact CG-CE2 4.17Å; P177-Y180 HydrophobicContact CG-CG 4.42Å; P177-Y180 PolarHBondContact O-N 3.5Å; P177-M199 VanDerWaalsContact CD-CE 3.46Å; P177-M199 HydrophobicContact CG-CE 3.81Å; P177-M199 HydrophobicContact CG-SD 4.28Å
178Q80.4Confident79.6Confident200 Ų20057.5 Ų57.594%0.93534%0.337SS*.THydrogen-bonded Turntrans-56.8-20.7-169.4-67.9-145.7-19.300116Y180Q178-Y180 PolarHBondContact O-N 3.22Å
179S82.6Confident79.4Confident67 Ų6764.8 Ų64.847%0.46937%0.373SS..THydrogen-bonded Turntrans-821.9174.957.80000114.1P177 T207P177-S179 PolarHBondContact O-N 3.04Å; S179-T207 PolarHBondContact O-N 2.89Å; S179-T207 VanDerWaalsContact O-N 3.07Å; S179-T207 PolarHBondContact O-OG1 3.15Å
180Y85.3Confident79.4Confident64 Ų6469.3 Ų69.325%0.25139%0.392SS..EExtended strand (participates in β ladder)trans-130.7145.8-177-65.8-107000111.3P177 Q178 M197 M199 C204 M205 P206P177-Y180 HydrophobicContact CG-CD2 3.67Å; P177-Y180 HydrophobicContact CG-CE2 4.17Å; P177-Y180 HydrophobicContact CG-CG 4.42Å; P177-Y180 PolarHBondContact O-N 3.5Å; Q178-Y180 PolarHBondContact O-N 3.22Å; Y180-M197 HydrophobicContact CE1-CG 4.22Å; Y180-M197 HydrophobicContact CE1-SD 3.76Å; Y180-M199 HydrophobicContact CD1-CE 3.62Å; Y180-M199 HydrophobicContact CD2-CE 3.87Å; Y180-M199 HydrophobicContact CE1-CE 3.88Å; Y180-M199 HydrophobicContact CE2-CE 4.11Å; Y180-M199 HydrophobicContact CG-CE 3.63Å; Y180-C204 HydrophobicContact CD1-CB 3.98Å; Y180-C204 HydrophobicContact CG-CB 4.19Å; Y180-M205 CarbonylContact C-O 3.55Å; Y180-M205 VanDerWaalsContact CA-O 3.27Å; Y180-M205 WeakPolarHBondContact CA-O 2.9Å; Y180-M205 VanDerWaalsContact CD1-C 3.48Å; Y180-P206 HydrophobicContact CD1-CB 4.06Å; Y180-P206 VanDerWaalsContact CD1-N 3.34Å; Y180-P206 HydrophobicContact CE1-CB 3.78Å; Y180-P206 HydrophobicContact CE1-CG 4.26Å
181I83Confident79.8Confident28 Ų2868.3 Ų68.314%0.14439%0.388CS..EExtended strand (participates in β ladder)trans-102.5128.5175.6-59.4167.8000107.9M163 L164 L168 M205 T207M163-I181 HydrophobicContact CB-CD1 4.4Å; L164-I181 HydrophobicContact CD1-CB 4.33Å; L164-I181 HydrophobicContact CD1-CG2 3.74Å; L164-I181 HydrophobicContact CD2-CD1 4.04Å; L164-I181 HydrophobicContact CG-CD1 4.34Å; L164-I181 HydrophobicContact CG-CG2 4.25Å; L168-I181 HydrophobicContact CD1-CG2 4.32Å; I181-M205 PolarHBondContact N-O 3.36Å; I181-M205 PolarHBondContact O-N 2.96Å; I181-T207 HydrophobicContact CD1-CG2 3.9Å; I181-T207 HydrophobicContact CG1-CG2 3.82Å
182P85.7Confident80.5Confident31 Ų3165.6 Ų65.620%0.20137%0.369CS..EExtended strand (participates in β ladder)trans-66.8132.2173.126.9-32.3000110.1L168 M172 C176L168-P182 WeakPolarHBondContact CD1-O 3.41Å; M172-P182 HydrophobicContact CB-CB 4.14Å; M172-P182 VanDerWaalsContact O-CB 3.32Å; M172-P182 WeakPolarHBondContact O-CB 3.32Å; C176-P182 WeakPolarHBondContact SG-CA 3.05Å; C176-P182 VanDerWaalsContact SG-CB 3.59Å
183V83.8Confident81.4Confident0 Ų065.3 Ų65.30%037%0.368CS..EExtended strand (participates in β ladder)trans-106.5-57.2-179.1-177.30000111L29 L164 L168 C203 M205L29-V183 HydrophobicContact CD1-CG1 3.88Å; L164-V183 HydrophobicContact CD1-CG2 4.22Å; L168-V183 HydrophobicContact CD2-CG1 4.24Å; V183-C203 PolarHBondContact N-O 2.04Å; V183-M205 HydrophobicContact CG2-CB 3.79Å; V183-M205 HydrophobicContact CG2-CE 3.84Å
184T84.6Confident82.3Confident2 Ų263.1 Ų63.11%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-146172.7-178.3-170.50000110.6W60 L62 M172 P193 S202 C203W60-T184 HydrophobicContact CD2-CG2 4.07Å; W60-T184 HydrophobicContact CE3-CG2 3.35Å; W60-T184 HydrophobicContact CZ3-CG2 4Å; W60-T184 PolarHBondContact O-OG1 2.79Å; W60-T184 VanDerWaalsContact O-OG1 3.11Å; L62-T184 HydrophobicContact CD1-CG2 4.48Å; M172-T184 VanDerWaalsContact SD-C 3.56Å; M172-T184 WeakPolarHBondContact SD-CA 3.3Å; T184-P193 HydrophobicContact CG2-CG 3.79Å; T184-S202 CarbonylContact O-C 3.57Å; T184-C203 HydrophobicContact CG2-CB 3.66Å; T184-C203 WeakPolarHBondContact O-CB 3.34Å; T184-C203 PolarHBondContact O-N 3.41Å
185Q85.1Confident83Confident101 Ų10157.8 Ų57.847%0.47233%0.326SS..EExtended strand (participates in β ladder)trans-76.3147.3167.5-73.4-179.1-1000108.9W60 M172 G201W60-Q185 VanDerWaalsContact CE3-O 3.24Å; W60-Q185 WeakPolarHBondContact CZ3-O 3.45Å; M172-Q185 HydrophobicContact CE-CG 4.06Å; M172-Q185 HydrophobicContact CG-CG 4.19Å; Q185-G201 WeakPolarHBondContact CA-O 3.38Å
186C86.4Confident83.4Confident21 Ų2158.1 Ų58.114%0.14233%0.328CS..PPolyproline II helixtrans-62.1147175.8-57.70000111.5C198 G201 S202C186-C198 HydrophobicContact CB-CB 3.94Å; C186-C198 WeakPolarHBondContact CB-SG 3.37Å; C186-C198 WeakPolarHBondContact SG-CA 3.49Å; C186-C198 WeakPolarHBondContact SG-CB 3.3Å; C186-C198 CovalentContact SG-SG 2Å; C186-C198 PolarHBondContact SG-SG 3.34Å; C186-G201 PolarHBondContact N-O 3.32Å; C186-S202 PolarHBondContact SG-N 2.81Å
187S84.2Confident83.6Confident9 Ų960.5 Ų60.56%0.06334%0.337CS..PPolyproline II helixtrans-62.4156.8169.31620000109.2M189 M190 A191S187-M189 PolarHBondContact O-N 3.26Å; S187-M189 PolarHBondContact OG-N 2.79Å; S187-M189 VanDerWaalsContact OG-N 3.17Å; S187-M190 WeakPolarHBondContact O-CA 2.93Å; S187-M190 PolarHBondContact O-N 3.38Å; S187-A191 PolarHBondContact N-O 2.94Å
188P81.9Confident83.9Confident118 Ų11859 Ų5977%0.76633%0.328SS*.THydrogen-bonded Turntrans-50.1-24.8167.6-2734.5000113.7M190P188-M190 VanDerWaalsContact C-N 3.35Å
189M84Confident84.2Confident167 Ų16751.7 Ų51.782%0.82329%0.294SS*.THydrogen-bonded Turntrans-90.413.1176.1-57-174.177.900114.1S187 A191S187-M189 PolarHBondContact O-N 3.26Å; S187-M189 PolarHBondContact OG-N 2.79Å; S187-M189 VanDerWaalsContact OG-N 3.17Å; M189-A191 PolarHBondContact O-N 3.11Å
190M82.1Confident84.3Confident123 Ų12356.4 Ų56.461%0.60631%0.309SS*.SBendtrans57.419.7-176.1-58.6-68.5-76.200114.3S187 P188 C198S187-M190 WeakPolarHBondContact O-CA 2.93Å; S187-M190 PolarHBondContact O-N 3.38Å; P188-M190 VanDerWaalsContact C-N 3.35Å; M190-C198 HydrophobicContact CE-CB 4.4Å; M190-C198 WeakPolarHBondContact CE-SG 2.92Å; M190-C198 WeakPolarHBondContact O-CB 2.94Å; M190-C198 VanDerWaalsContact SD-SG 3.66Å
191A85.3Confident84.3Confident46 Ų4655 Ų5538%0.3831%0.314SS..  trans-76169.7172.300000110.2W60 S187 M189W60-A191 HydrophobicContact CH2-CB 4.03Å; W60-A191 WeakPolarHBondContact CH2-O 3.34Å; W60-A191 HydrophobicContact CZ2-CB 4.18Å; W60-A191 WeakPolarHBondContact CZ3-O 3.21Å; S187-A191 PolarHBondContact N-O 2.94Å; M189-A191 PolarHBondContact O-N 3.11Å
192C85.1Confident84.6Confident24 Ų2454.3 Ų54.316%0.16231%0.311CS..  trans-150.7152.8172.1-76.40000110.2W60 S196 C198 C203W60-C192 VanDerWaalsContact CH2-CA 3.43Å; C192-S196 WeakPolarHBondContact CB-O 2.96Å; C192-S196 WeakPolarHBondContact CB-OG 3.38Å; C192-C198 WeakPolarHBondContact SG-CA 3.46Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å; C192-C198 PolarHBondContact SG-N 3.46Å; C192-C203 WeakPolarHBondContact CA-SG 3.46Å; C192-C203 HydrophobicContact CB-CB 3.65Å; C192-C203 WeakPolarHBondContact CB-SG 3.38Å; C192-C203 WeakPolarHBondContact SG-CA 3.49Å; C192-C203 WeakPolarHBondContact SG-CB 3.33Å; C192-C203 CovalentContact SG-SG 2.02Å; C192-C203 PolarHBondContact SG-SG 3.06Å
193P83Confident84.7Confident8 Ų852.8 Ų52.85%0.05230%0.302CS..SBendtrans-77.2143.9-179.132-34.8000111.9L29 I52 W60 L65 T184 S196L29-P193 HydrophobicContact CD1-CG 4.29Å; L29-P193 HydrophobicContact CD2-CB 3.95Å; I52-P193 HydrophobicContact CD1-CB 3.95Å; W60-P193 HydrophobicContact CD2-CG 4.24Å; W60-P193 HydrophobicContact CG-CG 4.48Å; L65-P193 HydrophobicContact CD2-CB 4.11Å; L65-P193 HydrophobicContact CD2-CG 3.91Å; T184-P193 HydrophobicContact CG2-CG 3.79Å; P193-S196 PolarHBondContact O-N 3.41Å; P193-S196 PolarHBondContact O-OG 2.66Å
194G77.3Confident85Confident39 Ų3952.8 Ų52.840%0.40230%0.302SS..THydrogen-bonded Turntrans64.8-133.2177.300000113.3
195Q78.9Confident85Confident70 Ų7053.4 Ų53.433%0.32731%0.305SS..THydrogen-bonded Turntrans-92.26.9177.4-65.1-171-24.900114.1N26N26-Q195 PolarHBondContact OD1-NE2 3.1Å; N26-Q195 VanDerWaalsContact OD1-NE2 3.09Å
196S84.3Confident84.8Confident11 Ų1149.8 Ų49.88%0.07729%0.29CS..  trans-73.6148.217961.60000111.1C192 P193 C204C192-S196 WeakPolarHBondContact CB-O 2.96Å; C192-S196 WeakPolarHBondContact CB-OG 3.38Å; P193-S196 PolarHBondContact O-N 3.41Å; P193-S196 PolarHBondContact O-OG 2.66Å; S196-C204 WeakPolarHBondContact CA-O 3.28Å
197M88.5Confident84.1Confident79 Ų7952 Ų5239%0.38930%0.303SS..EExtended strand (participates in β ladder)trans-115.9139-179.654.2179.852.100110.5Y180 M199 C204Y180-M197 HydrophobicContact CE1-CG 4.22Å; Y180-M197 HydrophobicContact CE1-SD 3.76Å; M197-M199 HydrophobicContact CG-CE 4.12Å; M197-M199 HydrophobicContact CG-CG 4.25Å; M197-M199 HydrophobicContact CG-SD 4.4Å; M197-M199 PolarHBondContact O-N 3.36Å; M197-M199 HydrophobicContact SD-CE 4.17Å; M197-M199 HydrophobicContact SD-SD 4.11Å; M197-C204 PolarHBondContact N-O 2.97Å; M197-C204 PolarHBondContact O-N 3.33Å
198C89.7Confident83.1Confident31 Ų3157.4 Ų57.421%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-74.5113.4178.9-179.10000110.4C186 M190 C192 S202C186-C198 HydrophobicContact CB-CB 3.94Å; C186-C198 WeakPolarHBondContact CB-SG 3.37Å; C186-C198 WeakPolarHBondContact SG-CA 3.49Å; C186-C198 WeakPolarHBondContact SG-CB 3.3Å; C186-C198 CovalentContact SG-SG 2Å; C186-C198 PolarHBondContact SG-SG 3.34Å; M190-C198 HydrophobicContact CE-CB 4.4Å; M190-C198 WeakPolarHBondContact CE-SG 2.92Å; M190-C198 WeakPolarHBondContact O-CB 2.94Å; M190-C198 VanDerWaalsContact SD-SG 3.66Å; C192-C198 WeakPolarHBondContact SG-CA 3.46Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å; C192-C198 PolarHBondContact SG-N 3.46Å; C198-S202 CarbonylContact C-O 3.58Å; C198-S202 WeakPolarHBondContact CA-O 3.16Å
199M87.6Confident81.6Confident46 Ų4654.2 Ų54.223%0.22731%0.314CS..EExtended strand (participates in β ladder)trans-127.5126173.3-60.3-167.8-76.800109.3P177 Y180 M197 G201 S202 C204P177-M199 VanDerWaalsContact CD-CE 3.46Å; P177-M199 HydrophobicContact CG-CE 3.81Å; P177-M199 HydrophobicContact CG-SD 4.28Å; Y180-M199 HydrophobicContact CD1-CE 3.62Å; Y180-M199 HydrophobicContact CD2-CE 3.87Å; Y180-M199 HydrophobicContact CE1-CE 3.88Å; Y180-M199 HydrophobicContact CE2-CE 4.11Å; Y180-M199 HydrophobicContact CG-CE 3.63Å; M197-M199 HydrophobicContact CG-CE 4.12Å; M197-M199 HydrophobicContact CG-CG 4.25Å; M197-M199 HydrophobicContact CG-SD 4.4Å; M197-M199 PolarHBondContact O-N 3.36Å; M197-M199 HydrophobicContact SD-CE 4.17Å; M197-M199 HydrophobicContact SD-SD 4.11Å; M199-G201 PolarHBondContact O-N 3.31Å; M199-G201 VanDerWaalsContact O-N 3.14Å; M199-S202 PolarHBondContact N-O 3.06Å; M199-S202 PolarHBondContact O-N 2.97Å; M199-C204 HydrophobicContact CE-CB 3.26Å
200Q85.2Confident80Confident167 Ų16748.1 Ų48.178%0.7829%0.286SS*.THydrogen-bonded Turntrans50.839.5178.2-56.3-178.6-000113.8G175 S202G175-Q200 PolarHBondContact O-OE1 2.9Å; Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.02Å
201G85.8Confident77.8Confident35 Ų3545.6 Ų45.636%0.36128%0.284SS..THydrogen-bonded Turntrans77.63.5-179.500000115.1Q185 C186 M199Q185-G201 WeakPolarHBondContact CA-O 3.38Å; C186-G201 PolarHBondContact N-O 3.32Å; M199-G201 PolarHBondContact O-N 3.31Å; M199-G201 VanDerWaalsContact O-N 3.14Å
202S87.4Confident75.6Confident12 Ų1246.9 Ų46.98%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-117.7138.6174.5-590000111.7T184 C186 C198 M199 Q200 C204T184-S202 CarbonylContact O-C 3.57Å; C186-S202 PolarHBondContact SG-N 2.81Å; C198-S202 CarbonylContact C-O 3.58Å; C198-S202 WeakPolarHBondContact CA-O 3.16Å; M199-S202 PolarHBondContact N-O 3.06Å; M199-S202 PolarHBondContact O-N 2.97Å; Q200-S202 VanDerWaalsContact C-N 3.26Å; Q200-S202 PolarHBondContact O-N 2.02Å; S202-C204 PolarHBondContact O-N 3.17Å; S202-C204 PolarHBondContact O-SG 2.84Å; S202-C204 VanDerWaalsContact O-SG 3.38Å
203C89.3Confident73.4Confident0 Ų049.4 Ų49.40%030%0.299CS..EExtended strand (participates in β ladder)trans-78.9110171.5-67.90000109.9V183 T184 C192V183-C203 PolarHBondContact N-O 2.04Å; T184-C203 HydrophobicContact CG2-CB 3.66Å; T184-C203 WeakPolarHBondContact O-CB 3.34Å; T184-C203 PolarHBondContact O-N 3.41Å; C192-C203 WeakPolarHBondContact CA-SG 3.46Å; C192-C203 HydrophobicContact CB-CB 3.65Å; C192-C203 WeakPolarHBondContact CB-SG 3.38Å; C192-C203 WeakPolarHBondContact SG-CA 3.49Å; C192-C203 WeakPolarHBondContact SG-CB 3.33Å; C192-C203 CovalentContact SG-SG 2.02Å; C192-C203 PolarHBondContact SG-SG 3.06Å
204C88.7Confident71.2Confident0 Ų055.1 Ų55.10%033%0.334CS..EExtended strand (participates in β ladder)trans-107.2129.1-173.2-59.10000109.9C176 Y180 S196 M197 M199 S202C176-C204 WeakPolarHBondContact CA-SG 3.41Å; C176-C204 HydrophobicContact CB-CB 3.88Å; C176-C204 WeakPolarHBondContact CB-SG 3.03Å; C176-C204 VanDerWaalsContact SG-CA 3.51Å; C176-C204 WeakPolarHBondContact SG-CB 3.47Å; C176-C204 CovalentContact SG-SG 2.02Å; C176-C204 PolarHBondContact SG-SG 2.67Å; Y180-C204 HydrophobicContact CD1-CB 3.98Å; Y180-C204 HydrophobicContact CG-CB 4.19Å; S196-C204 WeakPolarHBondContact CA-O 3.28Å; M197-C204 PolarHBondContact N-O 2.97Å; M197-C204 PolarHBondContact O-N 3.33Å; M199-C204 HydrophobicContact CE-CB 3.26Å; S202-C204 PolarHBondContact O-N 3.17Å; S202-C204 PolarHBondContact O-SG 2.84Å; S202-C204 VanDerWaalsContact O-SG 3.38Å
205M85.4Confident69.2Low15 Ų1555.8 Ų55.87%0.07434%0.336CS..EExtended strand (participates in β ladder)trans-109.8132.6176.5-173.1165.344.100109.8L164 Y180 I181 V183L164-M205 HydrophobicContact CD1-CE 3.69Å; L164-M205 HydrophobicContact CD2-CE 3.51Å; L164-M205 HydrophobicContact CG-CE 4.21Å; Y180-M205 CarbonylContact C-O 3.55Å; Y180-M205 VanDerWaalsContact CA-O 3.27Å; Y180-M205 WeakPolarHBondContact CA-O 2.9Å; Y180-M205 VanDerWaalsContact CD1-C 3.48Å; I181-M205 PolarHBondContact N-O 3.36Å; I181-M205 PolarHBondContact O-N 2.96Å; V183-M205 HydrophobicContact CG2-CB 3.79Å; V183-M205 HydrophobicContact CG2-CE 3.84Å
206P81.9Confident67Low25 Ų2559.8 Ų59.816%0.16236%0.357CS..EExtended strand (participates in β ladder)trans-64140.4179.725.3-32.3000110Y180 T208 T209Y180-P206 HydrophobicContact CD1-CB 4.06Å; Y180-P206 VanDerWaalsContact CD1-N 3.34Å; Y180-P206 HydrophobicContact CE1-CB 3.78Å; Y180-P206 HydrophobicContact CE1-CG 4.26Å; P206-T208 PolarHBondContact O-N 2.8Å; P206-T208 VanDerWaalsContact O-N 3.12Å; P206-T209 HydrophobicContact CG-CG2 3.94Å; P206-T209 PolarHBondContact O-N 3.46Å; P206-T209 PolarHBondContact O-OG1 3.28Å; P206-T209 VanDerWaalsContact O-OG1 3.1Å
207T70.2Confident64.7Low68 Ų6869.2 Ų69.242%0.41739%0.392SS..G310 helixtrans-61.5-21.4179.546.50000113.1S179 I181S179-T207 PolarHBondContact O-N 2.89Å; S179-T207 VanDerWaalsContact O-N 3.07Å; S179-T207 PolarHBondContact O-OG1 3.15Å; I181-T207 HydrophobicContact CD1-CG2 3.9Å; I181-T207 HydrophobicContact CG1-CG2 3.82Å
208T62.8Low62.2Low122 Ų12269.6 Ų69.675%0.74840%0.401SS*.G310 helixtrans-79.2-21.1-175.555.10000114.8P206 V210P206-T208 PolarHBondContact O-N 2.8Å; P206-T208 VanDerWaalsContact O-N 3.12Å; T208-V210 VanDerWaalsContact C-N 3.29Å; T208-V210 PolarHBondContact O-N 3.47Å
209T51.9Low59.6Low50 Ų5076.2 Ų76.231%0.30743%0.428SS..G310 helixtrans-83.1-5.6-178.247.90000113.6P206 A211P206-T209 HydrophobicContact CG-CG2 3.94Å; P206-T209 PolarHBondContact O-N 3.46Å; P206-T209 PolarHBondContact O-OG1 3.28Å; P206-T209 VanDerWaalsContact O-OG1 3.1Å; T209-A211 PolarHBondContact O-N 2.88Å
210V48.8Very low57.1Low40 Ų4081.1 Ų81.124%0.24246%0.456CS..  trans-8274.5174.9-165.70000109M163 L164 T208 M212M163-V210 VanDerWaalsContact O-CG1 3.3Å; M163-V210 WeakPolarHBondContact O-CG1 3.48Å; L164-V210 HydrophobicContact CD2-CG2 3.52Å; T208-V210 VanDerWaalsContact C-N 3.29Å; T208-V210 PolarHBondContact O-N 3.47Å; V210-M212 HydrophobicContact CG1-CG 4.26Å; V210-M212 PolarHBondContact O-N 3.05Å
211A36.4Very low54.9Low69 Ų6979.2 Ų79.257%0.5746%0.457SS*.  trans-6980.2168.100000108.9T209 P213T209-A211 PolarHBondContact O-N 2.88Å; A211-P213 WeakPolarHBondContact O-CD 3.34Å
212M39.5Very low52.6Low73 Ų7385.6 Ų85.636%0.3648%0.48SS..  trans-52.5126.9163.8-69.4-160.4-177.200107.7F162 M163 V210 T214F162-M212 HydrophobicContact CE1-CE 4.35Å; M163-M212 HydrophobicContact CB-CE 4.42Å; M163-M212 HydrophobicContact CE-CE 4.13Å; M163-M212 WeakPolarHBondContact O-CE 3.19Å; M163-M212 HydrophobicContact SD-CE 3.69Å; V210-M212 HydrophobicContact CG1-CG 4.26Å; V210-M212 PolarHBondContact O-N 3.05Å; M212-T214 PolarHBondContact O-N 2.84Å; M212-T214 VanDerWaalsContact O-N 3.16Å
213P39Very low50.2Low77 Ų7793.2 Ų93.250%0.552%0.518SS..  trans-68.1113158.711.31.6000106A211 A215A211-P213 WeakPolarHBondContact O-CD 3.34Å; P213-A215 PolarHBondContact O-N 2.98Å
214T36.8Very low47.8Very low128 Ų12899.6 Ų99.679%0.78556%0.557SS**  trans-48.5101.6164.228.40000108.9M212 M216M212-T214 PolarHBondContact O-N 2.84Å; M212-T214 VanDerWaalsContact O-N 3.16Å; T214-M216 PolarHBondContact O-N 3.37Å
215A36.1Very low45.4Very low53 Ų53103.8 Ų103.844%0.43859%0.592SS.*  trans-63.9106.3161.800000106.2P213 Y217P213-A215 PolarHBondContact O-N 2.98Å; A215-Y217 PolarHBondContact O-N 3.38Å
216M31.7Very low43.1Very low154 Ų154108.2 Ų108.276%0.75962%0.622SS**  trans-61.3106.7172.6-71.3-177.3160.300108.2T214 P218T214-M216 PolarHBondContact O-N 3.37Å; M216-P218 WeakPolarHBondContact O-CD 3.28Å
217Y35.3Very low41.3Very low210 Ų210115.3 Ų115.382%0.82466%0.656SS**  trans-54.6123163-77.1-89.5000108.5A215 Q219A215-Y217 PolarHBondContact O-N 3.38Å; Y217-Q219 PolarHBondContact O-N 3.44Å
218P37.4Very low39.8Very low87 Ų87115.4 Ų115.457%0.56567%0.671SS**  trans-72.9113.1172.329-30000108.4R100 M216R100-P218 VanDerWaalsContact NH1-CB 3.28Å; M216-P218 WeakPolarHBondContact O-CD 3.28Å
219Q35.3Very low38.9Very low170 Ų170114.6 Ų114.679%0.79468%0.677SS**  trans-64.1135.7161.4-72.1-162.3-33.900109.1Y217Y217-Q219 PolarHBondContact O-N 3.44Å
220N34.1Very low38.3Very low149 Ų149118 Ų11880%0.79770%0.7SS**  trans-54.3127.8163-106.81.6000108.6M222N220-M222 PolarHBondContact O-N 2.02Å; N220-M222 VanDerWaalsContact O-N 3.15Å
221P38.3Very low37.7Very low126 Ų126120.4 Ų120.482%0.81872%0.724SS**  trans-76.9102.8169.929.7-27.5000107.9
222M37.5Very low37.9Very low169 Ų169126.2 Ų126.283%0.83374%0.739SS**  trans-79.8138.4159.2-78.4-154.2169.800109.5N220N220-M222 PolarHBondContact O-N 2.02Å; N220-M222 VanDerWaalsContact O-N 3.15Å
223I38.3Very low37.7Very low172 Ų172129 Ų12988%0.88276%0.76SS**  trans-62.1123.2-176.5-65.9156.1000109.5
224T38.4Very low37.7Very low135 Ų135135.3 Ų135.383%0.82878%0.776SS**  trans-114.5117.6172.2-260000109.5
225A38.8Very low37.4Very low87 Ų87138.3 Ų138.372%0.71978%0.778SS**  trans-71.2159.8168.600000111.1
226P37.2Very low37.6Very low109 Ų109141 Ų14171%0.70879%0.791SS**  trans-101.9169.6-163.639.3-32.4000114.2
227I44.7Very low37.7Very low173 Ų173140.9 Ų140.989%0.88779%0.792SS**  trans101.1118.8154.9-51.4159.5000116.2
228G38.3Very low37.8Very low71 Ų71139.7 Ų139.773%0.73280%0.796SS**  trans143.384.6143.200000119.1
229A43.9Very low37.8Very low105 Ų105141.4 Ų141.487%0.86881%0.807SS**  trans82.3150.1142.900000122.2
230P39.6Very low37.8Very low121 Ų121136.7 Ų136.779%0.78680%0.804SS**  trans-118165.7-157.939.5-23.8000116.3
231A36.1Very low38Very low90 Ų90138.4 Ų138.474%0.74481%0.807SS**  trans65.5127.8146.400000120.1
232Q39.7Very low37.8Very low192 Ų192140.6 Ų140.690%0.89781%0.807SS**  -176.4125.6108.4-80.3-107.50.400109.8
233T34.8Very low37.8Very low131 Ų131141.6 Ų141.680%0.80481%0.807SS**  trans-89.4136.817634.40000111
234Y40.4Very low37.7Very low210 Ų210136.7 Ų136.782%0.82480%0.799SS**  trans-146122.1159.8-151.2-95.3000109.9P236Y234-P236 HydrophobicContact CE1-CG 4.23Å
235F30.2Very low37.3Very low191 Ų191138.5 Ų138.584%0.83880%0.804SS**  trans-122.8149.6160.5-77.7-76.7000107
236P39.5Very low37.2Very low108 Ų108140.4 Ų140.470%0.70181%0.806SS**  -137.7143.3126.128.5-11.7000113.8Y234Y234-P236 HydrophobicContact CE1-CG 4.23Å
237I33.4Very low36.8Very low153 Ų153142.8 Ų142.879%0.78581%0.813SS**  trans-89.5143.7168.3-66.8166.9000108.2
238M38.4Very low36.4Very low184 Ų184142 Ų14291%0.90681%0.809SS**  trans-128.2144.6157.6-78.7-117.5178.400110.3
239P37.8Very low35.9Very low124 Ų124141.7 Ų141.781%0.80581%0.807SS**  trans-112.7168.9-171.340.5-30000114.7
240G34.5Very low35.5Very low71 Ų71144.3 Ų144.373%0.73280%0.804SS**  trans114.2122.8146.100000116.8
241Q38.9Very low35.1Very low184 Ų184145.2 Ų145.286%0.8681%0.808SS**  177.2147.2111.7-84-126.7-29.200112
242Q33.9Very low35.1Very low172 Ų172144.6 Ų144.680%0.80480%0.803SS**  trans-89.4-167.5-178-72.1-156.4-54.700112.7
243F36.5Very low34.6Very low190 Ų190141.1 Ų141.183%0.83380%0.8SS**  trans95.8130.5171.6-51.8-69.7000113.8
244G35.8Very low34.8Very low70 Ų70141.6 Ų141.672%0.72280%0.795SS**  cis-177.2158.50.200000108.4
245N30.6Very low35.2Very low173 Ų173140.7 Ų140.793%0.92580%0.798SS**  trans-63.1137.3177-94.6-28.8000112.2
246V36.4Very low36.2Very low127 Ų127134.9 Ų134.977%0.7779%0.792SS**  trans-136.6121151.2-172.10000108.8L248V246-L248 HydrophobicContact CG1-CD1 4.05Å
247N28.4Very low37.3Very low159 Ų159131.6 Ų131.685%0.8578%0.778SS**  trans-101.9121.8172.3-164.71.2000106.4
248L37.2Very low39.2Very low155 Ų155130.5 Ų130.581%0.81277%0.773SS**  trans-153.2112.2168.9-100.3150.5000107.9V246V246-L248 HydrophobicContact CG1-CD1 4.05Å
249G28.3Very low41.2Very low66 Ų66121.9 Ų121.968%0.6873%0.731SS**  trans-74.5147.517700000111.8
250I34.9Very low43Very low159 Ų159120.9 Ų120.982%0.81572%0.724SS**  trans-143.6115.9153.9-49.6178.5000107.3A252I250-A252 PolarHBondContact O-N 2.91Å
251T30.8Very low45Very low141 Ų141121.2 Ų121.287%0.86571%0.712SS**  trans-61.8119.7163.243.20000109.7
252A35.6Very low47Very low77 Ų77115 Ų11564%0.63670%0.697SS**  trans-147.8119.3160.400000109.5I250 M254I250-A252 PolarHBondContact O-N 2.91Å; A252-M254 PolarHBondContact O-N 2.86Å
253S30Very low49.3Very low119 Ų119109.5 Ų109.583%0.83268%0.675SS**  trans-40.4120.2169.348.70000112.9
254M39.8Very low51.4Low141 Ų141105.3 Ų105.370%0.69567%0.667SS**  trans-116.894163.5-63.2-154.8-144.500108.8A252 G256 P268A252-M254 PolarHBondContact O-N 2.86Å; M254-G256 PolarHBondContact O-N 3.37Å; M254-P268 HydrophobicContact CE-CB 4.18Å; M254-P268 HydrophobicContact CE-CG 3.79Å; M254-P268 HydrophobicContact SD-CB 3.95Å; M254-P268 HydrophobicContact SD-CG 3.88Å
255Q48.7Very low53.7Low190 Ų190103.7 Ų103.789%0.88865%0.645SS**  trans-56119.5153.9-75.7168.2-2300106.6G257Q255-G257 PolarHBondContact O-N 2.95Å
256G51.4Low56.2Low69 Ų69100.7 Ų100.771%0.71163%0.628SS**  trans-60.297.7179.100000110.2M254 L258M254-G256 PolarHBondContact O-N 3.37Å; G256-L258 PolarHBondContact O-N 3.22Å
257G61.9Low58.5Low39 Ų3995.8 Ų95.840%0.40260%0.603SS.*PPolyproline II helixtrans-64.4124.8175.200000109.6Q255 S265Q255-G257 PolarHBondContact O-N 2.95Å; G257-S265 WeakPolarHBondContact O-CB 3.3Å; G257-S265 PolarHBondContact O-OG 3.17Å
258L74.3Confident61.3Low130 Ų13090.9 Ų90.968%0.68158%0.58SS**BIsolated β-bridgetrans-71.3136.6170.4-73.7162.8000108.9G256G256-L258 PolarHBondContact O-N 3.22Å
259C79.7Confident63.6Low4 Ų484.7 Ų84.73%0.02755%0.55CS..PPolyproline II helixtrans-62.6153.5166.1-66.60000109.5T261 G262 V263 C285C259-T261 PolarHBondContact O-N 3.3Å; C259-G262 PolarHBondContact O-N 2.61Å; C259-V263 HydrophobicContact CB-CG2 3.98Å; C259-V263 WeakPolarHBondContact CB-O 3.39Å; C259-V263 PolarHBondContact N-O 3.5Å; C259-V263 VanDerWaalsContact N-O 3.09Å; C259-C285 VanDerWaalsContact CA-SG 3.58Å; C259-C285 HydrophobicContact CB-CB 3.79Å; C259-C285 WeakPolarHBondContact CB-SG 3.44Å; C259-C285 WeakPolarHBondContact SG-CA 3.14Å; C259-C285 WeakPolarHBondContact SG-CB 3.4Å; C259-C285 CovalentContact SG-SG 2.03Å; C259-C285 PolarHBondContact SG-SG 3.44Å
260P76.3Confident66.3Low102 Ų10289.3 Ų89.366%0.66256%0.559SS**THydrogen-bonded Turntrans-53.4-22.2175.5-23.331.9000113.7M280P260-M280 VanDerWaalsContact CD-CE 3.45Å; P260-M280 HydrophobicContact CG-CE 3.65Å
261T75.6Confident68.6Low78 Ų7889.7 Ų89.748%0.47956%0.561SS.*THydrogen-bonded Turntrans-84.6-0.3177.1460000114.4C259 V263C259-T261 PolarHBondContact O-N 3.3Å; T261-V263 VanDerWaalsContact C-N 3.28Å; T261-V263 PolarHBondContact O-N 3.47Å; T261-V263 WeakPolarHBondContact OG1-CG2 3Å
262G80.2Confident71.1Confident54 Ų5485.4 Ų85.456%0.55755%0.545SS*.SBendtrans80.3-0.9-18000000115.2C259C259-G262 PolarHBondContact O-N 2.61Å
263V82.3Confident73.6Confident56 Ų5683.7 Ų83.734%0.33953%0.528SS..PPolyproline II helixtrans-81.1144.7173.7-83.10000111.4C259 T261 P286C259-V263 HydrophobicContact CB-CG2 3.98Å; C259-V263 WeakPolarHBondContact CB-O 3.39Å; C259-V263 PolarHBondContact N-O 3.5Å; C259-V263 VanDerWaalsContact N-O 3.09Å; T261-V263 VanDerWaalsContact C-N 3.28Å; T261-V263 PolarHBondContact O-N 3.47Å; T261-V263 WeakPolarHBondContact OG1-CG2 3Å; V263-P286 HydrophobicContact CB-CG 4.44Å; V263-P286 HydrophobicContact CG2-CG 3.84Å
264P81.8Confident76.2Confident103 Ų10381.4 Ų81.467%0.66951%0.51SS*.BIsolated β-bridgetrans-63.4138.8175.224.9-31.6000110.5
265S83.1Confident78.2Confident36 Ų3682.3 Ų82.325%0.25252%0.524SS..PPolyproline II helixtrans-66.6144.7176.647.60000112G257 G267G257-S265 WeakPolarHBondContact O-CB 3.3Å; G257-S265 PolarHBondContact O-OG 3.17Å; S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.24Å
266L83.3Confident79.8Confident109 Ų10976 Ų7657%0.57151%0.51SS*.  trans-79.4-9.8178.3-72.1163.4000113.1P274 C284L266-P274 HydrophobicContact CB-CG 4.35Å; L266-P274 HydrophobicContact CD1-CG 3.96Å; L266-C284 HydrophobicContact CB-CB 4.07Å; L266-C284 PolarHBondContact N-O 3.05Å
267G84.8Confident81.4Confident24 Ų2473.6 Ų73.625%0.24748%0.482CS..SBendtrans146.4173.2-178.800000112.3S265 A283 C284S265-G267 VanDerWaalsContact C-N 3.26Å; S265-G267 PolarHBondContact O-N 3.24Å; G267-A283 WeakPolarHBondContact O-CA 3.46Å; G267-C284 PolarHBondContact O-N 2.97Å
268P86.6Confident82.6Confident57 Ų5774.3 Ų74.337%0.3748%0.478SS..BIsolated β-bridgetrans-68.7141.9172.930.6-36.3000110.7M254 N270 G282M254-P268 HydrophobicContact CE-CB 4.18Å; M254-P268 HydrophobicContact CE-CG 3.79Å; M254-P268 HydrophobicContact SD-CB 3.95Å; M254-P268 HydrophobicContact SD-CG 3.88Å; P268-N270 PolarHBondContact O-N 2.86Å; P268-N270 VanDerWaalsContact O-N 3.12Å; P268-G282 WeakPolarHBondContact CA-O 3.48Å
269C86.5Confident83.4Confident24 Ų2471 Ų7116%0.16247%0.466CS..G310 helixtrans-72.9-1.8-179-50.10000115.1I271 G272 C279 G282 A283C269-I271 PolarHBondContact O-N 2.98Å; C269-G272 PolarHBondContact O-N 2.94Å; C269-C279 HydrophobicContact CB-CB 3.69Å; C269-C279 WeakPolarHBondContact CB-SG 3.37Å; C269-C279 WeakPolarHBondContact SG-CA 3.04Å; C269-C279 WeakPolarHBondContact SG-CB 3.48Å; C269-C279 CovalentContact SG-SG 2.01Å; C269-C279 PolarHBondContact SG-SG 3.46Å; C269-G282 PolarHBondContact N-O 3.49Å; C269-G282 PolarHBondContact SG-O 3.41Å; C269-A283 PolarHBondContact SG-N 3.04Å; C269-A283 PolarHBondContact SG-O 3.04Å; C269-A283 VanDerWaalsContact SG-O 3.41Å
270N85.4Confident83.6Confident163 Ų16374.2 Ų74.287%0.87248%0.481SS*.G310 helixtrans-62.6-18.2-171.1-11910.8000114P268P268-N270 PolarHBondContact O-N 2.86Å; P268-N270 VanDerWaalsContact O-N 3.12Å
271I81.9Confident84Confident167 Ų16775.5 Ų75.586%0.85649%0.492SS*.G310 helixtrans-113.36.8-179.5-51.9175000110.7C269C269-I271 PolarHBondContact O-N 2.98Å
272G84.2Confident84.4Confident52 Ų5274.1 Ų74.154%0.53649%0.494SS..  trans87.7155.6-170.900000112.8C269C269-G272 PolarHBondContact O-N 2.94Å
273C88.6Confident84.8Confident41 Ų4172.2 Ų72.228%0.27747%0.473SS..PPolyproline II helixtrans-98.3143.7-178.2-66.60000111.7S277 C284C273-S277 WeakPolarHBondContact CB-OG 3.32Å; C273-C284 WeakPolarHBondContact CA-SG 3.45Å; C273-C284 HydrophobicContact CB-CB 3.71Å; C273-C284 WeakPolarHBondContact CB-SG 3.47Å; C273-C284 WeakPolarHBondContact SG-CA 3.37Å; C273-C284 WeakPolarHBondContact SG-CB 3.17Å; C273-C284 CovalentContact SG-SG 2.03Å; C273-C284 PolarHBondContact SG-SG 3.35Å
274P83.8Confident85.3Confident70 Ų7069.7 Ų69.746%0.45546%0.457SS..PPolyproline II helixtrans-63.2150.3176.526.4-34.1000111.6L266 G276 S277L266-P274 HydrophobicContact CB-CG 4.35Å; L266-P274 HydrophobicContact CD1-CG 3.96Å; P274-G276 PolarHBondContact O-N 3.06Å; P274-S277 VanDerWaalsContact CD-OG 3.3Å; P274-S277 WeakPolarHBondContact CD-OG 3.43Å; P274-S277 WeakPolarHBondContact CG-OG 2.96Å; P274-S277 PolarHBondContact O-N 2.81Å; P274-S277 PolarHBondContact O-OG 2.63Å
275T82.8Confident85.7Confident161 Ų16164.9 Ų64.999%0.98843%0.426SS*.THydrogen-bonded Turntrans-50.9125.4-179.6-43.60000111.3
276G81.3Confident85.8Confident58 Ų5865.7 Ų65.760%0.59843%0.431SS*.THydrogen-bonded Turntrans97.31.3-175.600000115.1P274 M287P274-G276 PolarHBondContact O-N 3.06Å; G276-M287 PolarHBondContact O-N 2.83Å; G276-M287 VanDerWaalsContact O-N 3.17Å
277S85.8Confident85.4Confident17 Ų1767.2 Ų67.212%0.11944%0.436CS..EExtended strand (participates in β ladder)trans-120.7149.2171.562.50000112.1C273 P274 C285C273-S277 WeakPolarHBondContact CB-OG 3.32Å; P274-S277 VanDerWaalsContact CD-OG 3.3Å; P274-S277 WeakPolarHBondContact CD-OG 3.43Å; P274-S277 WeakPolarHBondContact CG-OG 2.96Å; P274-S277 PolarHBondContact O-N 2.81Å; P274-S277 PolarHBondContact O-OG 2.63Å; S277-C285 CarbonylContact C-O 3.57Å; S277-C285 WeakPolarHBondContact CA-O 3.36Å; S277-C285 VanDerWaalsContact CB-O 3.29Å; S277-C285 WeakPolarHBondContact CB-O 3.33Å
278V87Confident84.5Confident54 Ų5470.2 Ų70.233%0.32745%0.454SS..EExtended strand (participates in β ladder)trans-111.4140.4175.562.90000108.9M280 C285 M287V278-M280 HydrophobicContact CG1-CG 4.19Å; V278-M280 PolarHBondContact O-N 2.87Å; V278-C285 PolarHBondContact N-O 3.09Å; V278-C285 PolarHBondContact O-N 3.11Å; V278-M287 HydrophobicContact CB-CE 4.33Å; V278-M287 HydrophobicContact CB-CG 3.98Å; V278-M287 HydrophobicContact CG1-CG 3.72Å
279C90.8Very high82.9Confident62 Ų6272.1 Ų72.142%0.41947%0.469SS..EExtended strand (participates in β ladder)trans-72.3119.1172.1-177.30000110.3C269C269-C279 HydrophobicContact CB-CB 3.69Å; C269-C279 WeakPolarHBondContact CB-SG 3.37Å; C269-C279 WeakPolarHBondContact SG-CA 3.04Å; C269-C279 WeakPolarHBondContact SG-CB 3.48Å; C269-C279 CovalentContact SG-SG 2.01Å; C269-C279 PolarHBondContact SG-SG 3.46Å
280M83.8Confident81Confident71 Ų7176.8 Ų76.835%0.3550%0.499SS..EExtended strand (participates in β ladder)trans-131.8131.3169.7-72.6-167.3-4600110.2P260 V278 G282 A283 C285P260-M280 VanDerWaalsContact CD-CE 3.45Å; P260-M280 HydrophobicContact CG-CE 3.65Å; V278-M280 HydrophobicContact CG1-CG 4.19Å; V278-M280 PolarHBondContact O-N 2.87Å; M280-G282 PolarHBondContact O-N 3.05Å; M280-A283 PolarHBondContact N-O 3.07Å; M280-A283 PolarHBondContact O-N 3.47Å; M280-C285 HydrophobicContact CE-CB 3.99Å
281S83.9Confident79.1Confident128 Ų12878 Ų7890%0.89550%0.496SS*.THydrogen-bonded Turntrans53.637.6178.7-53.90000114.2A283S281-A283 VanDerWaalsContact C-N 3.27Å; S281-A283 PolarHBondContact O-N 3.16Å
282G85.1Confident76.9Confident49 Ų4973.5 Ų73.551%0.50549%0.492SS..THydrogen-bonded Turntrans79.71.4-179.400000115.1P268 C269 M280P268-G282 WeakPolarHBondContact CA-O 3.48Å; C269-G282 PolarHBondContact N-O 3.49Å; C269-G282 PolarHBondContact SG-O 3.41Å; M280-G282 PolarHBondContact O-N 3.05Å
283A87.8Confident74.9Confident14 Ų1479 Ų7912%0.11651%0.505CS..EExtended strand (participates in β ladder)trans-122.5143.7-179.100000112.6G267 C269 M280 S281 C285G267-A283 WeakPolarHBondContact O-CA 3.46Å; C269-A283 PolarHBondContact SG-N 3.04Å; C269-A283 PolarHBondContact SG-O 3.04Å; C269-A283 VanDerWaalsContact SG-O 3.41Å; M280-A283 PolarHBondContact N-O 3.07Å; M280-A283 PolarHBondContact O-N 3.47Å; S281-A283 VanDerWaalsContact C-N 3.27Å; S281-A283 PolarHBondContact O-N 3.16Å; A283-C285 PolarHBondContact O-N 3.17Å
284C93.2Very high72.5Confident3 Ų385.2 Ų85.22%0.0253%0.528CS..EExtended strand (participates in β ladder)trans-80.8115.4177.1-63.20000111.1L266 G267 C273L266-C284 HydrophobicContact CB-CB 4.07Å; L266-C284 PolarHBondContact N-O 3.05Å; G267-C284 PolarHBondContact O-N 2.97Å; C273-C284 WeakPolarHBondContact CA-SG 3.45Å; C273-C284 HydrophobicContact CB-CB 3.71Å; C273-C284 WeakPolarHBondContact CB-SG 3.47Å; C273-C284 WeakPolarHBondContact SG-CA 3.37Å; C273-C284 WeakPolarHBondContact SG-CB 3.17Å; C273-C284 CovalentContact SG-SG 2.03Å; C273-C284 PolarHBondContact SG-SG 3.35Å
285C90.9Very high70.1Confident2 Ų288 Ų881%0.01455%0.549CS..EExtended strand (participates in β ladder)trans-114.3131.2-175.5-66.80000111.6C259 S277 V278 M280 A283 M287C259-C285 VanDerWaalsContact CA-SG 3.58Å; C259-C285 HydrophobicContact CB-CB 3.79Å; C259-C285 WeakPolarHBondContact CB-SG 3.44Å; C259-C285 WeakPolarHBondContact SG-CA 3.14Å; C259-C285 WeakPolarHBondContact SG-CB 3.4Å; C259-C285 CovalentContact SG-SG 2.03Å; C259-C285 PolarHBondContact SG-SG 3.44Å; S277-C285 CarbonylContact C-O 3.57Å; S277-C285 WeakPolarHBondContact CA-O 3.36Å; S277-C285 VanDerWaalsContact CB-O 3.29Å; S277-C285 WeakPolarHBondContact CB-O 3.33Å; V278-C285 PolarHBondContact N-O 3.09Å; V278-C285 PolarHBondContact O-N 3.11Å; M280-C285 HydrophobicContact CE-CB 3.99Å; A283-C285 PolarHBondContact O-N 3.17Å; C285-M287 PolarHBondContact O-N 3.45Å
286P83.4Confident68.1Low53 Ų5387 Ų8734%0.34453%0.528SS..EExtended strand (participates in β ladder)trans-64.6131.2178.127.3-33.2000110.5V263 S288V263-P286 HydrophobicContact CB-CG 4.44Å; V263-P286 HydrophobicContact CG2-CG 3.84Å; P286-S288 PolarHBondContact O-N 2.78Å
287M75.5Confident66.3Low141 Ų14189.9 Ų89.970%0.69554%0.536SS*.  trans-71.5109.7176-87.7-154.7-107.800109.7G276 V278 C285 S289G276-M287 PolarHBondContact O-N 2.83Å; G276-M287 VanDerWaalsContact O-N 3.17Å; V278-M287 HydrophobicContact CB-CE 4.33Å; V278-M287 HydrophobicContact CB-CG 3.98Å; V278-M287 HydrophobicContact CG1-CG 3.72Å; C285-M287 PolarHBondContact O-N 3.45Å; M287-S289 PolarHBondContact O-N 3.24Å
288S65.4Low64.2Low88 Ų8898.3 Ų98.362%0.61557%0.574SS**  trans-76.4109.8160.743.50000108.5P286P286-S288 PolarHBondContact O-N 2.78Å
289S53.8Low62Low97 Ų97100.4 Ų100.468%0.67858%0.581SS**  trans-56.7133.4173.247.50000111.1M287 F291M287-S289 PolarHBondContact O-N 3.24Å; S289-F291 PolarHBondContact O-N 2.96Å
290P46.2Very low59.6Low122 Ų122101.4 Ų101.479%0.79260%0.602SS**SBendtrans-76.820-172.729.1-34000116
291F46.6Very low57.6Low187 Ų187105.6 Ų105.682%0.8262%0.618SS**SBendtrans-109102.3170.7-68.9-78.6000109.6S289 M293S289-F291 PolarHBondContact O-N 2.96Å; F291-M293 PolarHBondContact O-N 3.05Å
292G36.1Very low55.9Low74 Ų74104.1 Ų104.176%0.76361%0.606SS**  trans-61.9129.5176.200000111.3
293M40.9Very low54.3Low166 Ų166106.2 Ų106.282%0.81861%0.611SS**SBendtrans162.8115.7143.8-80.1-102.3175.800108.2F291F291-M293 PolarHBondContact O-N 3.05Å
294F39Very low52.4Low173 Ų173110.2 Ų110.276%0.75964%0.635SS**  trans68.988.1169.9-60-80.2000119.2Y296F294-Y296 HydrophobicContact CB-CE2 4.44Å; F294-Y296 PolarHBondContact O-N 2.82Å
295S33.9Very low50.9Low129 Ų129114 Ų11490%0.90265%0.653SS**  trans-72.9102.1162.2-380000110.5
296Y40.1Very low50.1Low140 Ų140118.3 Ų118.355%0.54968%0.675SS.*  trans-86.6134.5157.8-80.3-94.8000109F294 Q298F294-Y296 HydrophobicContact CB-CE2 4.44Å; F294-Y296 PolarHBondContact O-N 2.82Å; Y296-Q298 PolarHBondContact O-N 3.4Å
297P42.2Very low49.9Very low117 Ų117116 Ų11676%0.7666%0.661SS**  trans-67.1124171.625-29.2000110.4M299P297-M299 PolarHBondContact O-N 3.27Å
298Q43Very low50.2Low194 Ų194115.4 Ų115.491%0.90766%0.659SS**  trans-15.7107.6164.6-93.2-175.713.800115.2Y296Y296-Q298 PolarHBondContact O-N 3.4Å
299M39.9Very low50.8Low99 Ų99115.4 Ų115.449%0.48866%0.659SS.*  trans-96.9131.7141.9-62.3-159.7-149.200106.6F162 P297 F301F162-M299 HydrophobicContact CB-SD 4.31Å; P297-M299 PolarHBondContact O-N 3.27Å; M299-F301 PolarHBondContact O-N 3.42Å
300G41.1Very low52Low83 Ų83113.1 Ų113.186%0.85665%0.651SS**SBendtrans-66.463.6-169.900000115.9
301F41.3Very low53.7Low158 Ų158109.7 Ų109.769%0.69363%0.633SS**PPolyproline II helixtrans-98.7130160.2-82.8-87.7000108.8M299M299-F301 PolarHBondContact O-N 3.42Å
302P48.3Very low55.3Low97 Ų97106.7 Ų106.763%0.6363%0.625SS**PPolyproline II helixtrans-56.4140.2165.725.1-31.1000108.2
303P51.2Low57.5Low94 Ų94104.8 Ų104.861%0.6160%0.599SS**PPolyproline II helixtrans-53.5145.2171.124.4-32.6000108.4Q305P303-Q305 PolarHBondContact O-N 2.01Å
304P49.8Very low59.6Low97 Ų97101.4 Ų101.463%0.6359%0.588SS**  trans-52.4109.617821.4-31.1000108.2L306 L312P304-L306 PolarHBondContact O-N 2.9Å; P304-L306 VanDerWaalsContact O-N 3.17Å; P304-L312 HydrophobicContact CB-CD2 4.36Å
305Q61.2Low61.6Low84 Ų8494.8 Ų94.839%0.39357%0.568SS.*  trans-67.7115.9-179.9-62.8-96.6-84.800105.6P303 P313 Q329P303-Q305 PolarHBondContact O-N 2.01Å; Q305-P313 VanDerWaalsContact O-CD 3.23Å; Q305-P313 WeakPolarHBondContact O-CD 3.32Å; Q305-P313 WeakPolarHBondContact O-CG 3.4Å; Q305-Q329 HydrophobicContact CB-CB 3.87Å; Q305-Q329 HydrophobicContact CG-CB 4.16Å; Q305-Q329 VanDerWaalsContact OE1-OE1 3.05Å
306L72.5Confident64Low91 Ų9191.7 Ų91.748%0.47655%0.55SS.*  trans-63.3142.5172.5-64.6169.8000107.9P304 L312P304-L306 PolarHBondContact O-N 2.9Å; P304-L306 VanDerWaalsContact O-N 3.17Å; L306-L312 HydrophobicContact CD2-CD2 3.92Å; L306-L312 HydrophobicContact CD2-CG 4.27Å
307C80.8Confident66.2Low6 Ų685.6 Ų85.64%0.04153%0.528CS..  trans-55.1158166.7-61.20000110S309 G310 A311 C333C307-S309 WeakPolarHBondContact CB-OG 3.45Å; C307-S309 PolarHBondContact O-N 3.01Å; C307-G310 PolarHBondContact O-N 2.86Å; C307-A311 HydrophobicContact CB-CB 4.45Å; C307-A311 WeakPolarHBondContact CB-O 3.39Å; C307-A311 PolarHBondContact N-O 2.04Å; C307-A311 PolarHBondContact SG-O 2.82Å; C307-C333 WeakPolarHBondContact CA-SG 3.26Å; C307-C333 HydrophobicContact CB-CB 3.5Å; C307-C333 WeakPolarHBondContact CB-SG 2.91Å; C307-C333 WeakPolarHBondContact SG-CA 3.35Å; C307-C333 WeakPolarHBondContact SG-CB 3.37Å; C307-C333 CovalentContact SG-SG 2.02Å; C307-C333 PolarHBondContact SG-SG 3.32Å
308L80.3Confident68.1Low128 Ų12888.4 Ų88.467%0.6753%0.528SS*.THydrogen-bonded Turntrans-56.5-21.5175.1-108.973.4000112.6G310 E328L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 2.9Å; L308-E328 WeakPolarHBondContact CB-OE2 3.49Å; L308-E328 VanDerWaalsContact CD1-CD 3.49Å; L308-E328 HydrophobicContact CD1-CG 4.14Å; L308-E328 VanDerWaalsContact CD1-OE1 3.28Å; L308-E328 WeakPolarHBondContact CD1-OE1 2.95Å; L308-E328 PolarHBondContact N-OE2 2.81Å
309S78.7Confident69.6Low87 Ų8787.9 Ų87.961%0.60852%0.523SS*.THydrogen-bonded Turntrans-76.3-5.5172.758.60000115.4C307 A311C307-S309 WeakPolarHBondContact CB-OG 3.45Å; C307-S309 PolarHBondContact O-N 3.01Å; S309-A311 VanDerWaalsContact C-N 3.28Å; S309-A311 PolarHBondContact O-N 2.03Å
310G79.9Confident71.6Confident50 Ų5085.6 Ų85.652%0.51553%0.525SS..SBendtrans79.71.2-172.600000114.7C307 L308C307-G310 PolarHBondContact O-N 2.86Å; L308-G310 VanDerWaalsContact C-N 3.31Å; L308-G310 PolarHBondContact O-N 2.9Å
311A80.2Confident74Confident49 Ų4983.3 Ų83.341%0.40550%0.496SS..PPolyproline II helixtrans-78.8152.317600000112.1C307 S309C307-A311 HydrophobicContact CB-CB 4.45Å; C307-A311 WeakPolarHBondContact CB-O 3.39Å; C307-A311 PolarHBondContact N-O 2.04Å; C307-A311 PolarHBondContact SG-O 2.82Å; S309-A311 VanDerWaalsContact C-N 3.28Å; S309-A311 PolarHBondContact O-N 2.03Å
312L81.7Confident76Confident125 Ų12579.2 Ų79.265%0.65449%0.485SS*.PPolyproline II helixtrans-71134170-73.2164.6000109.8P304 L306P304-L312 HydrophobicContact CB-CD2 4.36Å; L306-L312 HydrophobicContact CD2-CD2 3.92Å; L306-L312 HydrophobicContact CD2-CG 4.27Å
313P82Confident77.9Confident34 Ų3478.5 Ų78.522%0.22150%0.495CS..PPolyproline II helixtrans-65.2139.917926.4-34000110.9Q305 G315 C332Q305-P313 VanDerWaalsContact O-CD 3.23Å; Q305-P313 WeakPolarHBondContact O-CD 3.32Å; Q305-P313 WeakPolarHBondContact O-CG 3.4Å; P313-G315 PolarHBondContact O-N 3.33Å; P313-C332 WeakPolarHBondContact CA-O 3.03Å
314V83.9Confident79.6Confident95 Ų9576.7 Ų76.758%0.57649%0.493SS*.SBendtrans-69.9-18.9-178.1179.70000112.2Y325 C332V314-Y325 HydrophobicContact CB-CE1 4.17Å; V314-Y325 HydrophobicContact CG2-CD1 4.03Å; V314-Y325 HydrophobicContact CG2-CE1 3.3Å; V314-C332 PolarHBondContact N-O 2.03Å
315G81.6Confident81.6Confident33 Ų3375.7 Ų75.734%0.3448%0.478SS..SBendtrans179.9173.9175.200000110.9P313 G331 C332P313-G315 PolarHBondContact O-N 3.33Å; G315-G331 CarbonylContact O-C 3.56Å; G315-G331 WeakPolarHBondContact O-CA 3.49Å; G315-C332 PolarHBondContact O-N 3.06Å
316A83.6Confident82.8Confident64 Ų6475.8 Ų75.853%0.52948%0.48SS..BIsolated β-bridgetrans-77.8136.9174.600000110.8F318 A330A316-F318 VanDerWaalsContact C-N 3.31Å; A316-F318 HydrophobicContact CB-CD2 3.59Å; A316-F318 HydrophobicContact CB-CE2 3.81Å; A316-F318 PolarHBondContact O-N 3.21Å; A316-A330 CarbonylContact C-O 3.44Å; A316-A330 WeakPolarHBondContact CA-O 3.46Å
317C88.1Confident83.6Confident12 Ų1275.4 Ų75.48%0.08148%0.484CS..G310 helixtrans-8611.7-173.358.10000115.6K319 G320 C321 C327 A330 C332C317-K319 PolarHBondContact O-N 2.81Å; C317-G320 PolarHBondContact O-N 2.96Å; C317-C321 WeakPolarHBondContact CB-SG 3.48Å; C317-C327 HydrophobicContact CB-CB 3.37Å; C317-C327 WeakPolarHBondContact CB-SG 2.96Å; C317-C327 WeakPolarHBondContact SG-CB 3.4Å; C317-C327 CovalentContact SG-SG 2.02Å; C317-C327 PolarHBondContact SG-SG 3.04Å; C317-A330 PolarHBondContact N-O 2.69Å; C317-A330 WeakPolarHBondContact SG-CA 3.44Å; C317-C332 VanDerWaalsContact CB-SG 3.59Å
318F80.5Confident83.8Confident176 Ų17677.5 Ų77.577%0.77249%0.493SS*.G310 helixtrans-58.8-15.2-178.9-61.5-73.3000115.1A316 A330A316-F318 VanDerWaalsContact C-N 3.31Å; A316-F318 HydrophobicContact CB-CD2 3.59Å; A316-F318 HydrophobicContact CB-CE2 3.81Å; A316-F318 PolarHBondContact O-N 3.21Å; F318-A330 HydrophobicContact CZ-CB 4.13Å
319K74.3Confident83.8Confident183 Ų18376.1 Ų76.180%0.79648%0.483SS*.G310 helixtrans-122.714.9174.7-76.7-172.8175.1-178.40113.9C317C317-K319 PolarHBondContact O-N 2.81Å
320G83.6Confident83.9Confident51 Ų5174.4 Ų74.453%0.52647%0.474SS..  trans92.3162.2-17200000113C317C317-G320 PolarHBondContact O-N 2.96Å
321C90.4Very high84.1Confident36 Ų3672.2 Ų72.224%0.24345%0.452CS..  trans-104.4150.6-178.9-660000112C317 C332C317-C321 WeakPolarHBondContact CB-SG 3.48Å; C321-C332 WeakPolarHBondContact CA-SG 3.43Å; C321-C332 HydrophobicContact CB-CB 3.69Å; C321-C332 WeakPolarHBondContact CB-SG 3.29Å; C321-C332 WeakPolarHBondContact SG-CA 3.02Å; C321-C332 WeakPolarHBondContact SG-CB 3.35Å; C321-C332 CovalentContact SG-SG 2.04Å; C321-C332 PolarHBondContact SG-SG 3.3Å
322P84.2Confident84.6Confident71 Ų7170 Ų7046%0.46143%0.434SS..  trans-58.9152.417123.9-30.1000110.5G324 Y325P322-G324 PolarHBondContact O-N 3.35Å; P322-Y325 HydrophobicContact CB-CD2 4.37Å; P322-Y325 HydrophobicContact CG-CD2 3.76Å; P322-Y325 HydrophobicContact CG-CE2 4.24Å; P322-Y325 HydrophobicContact CG-CG 4.26Å; P322-Y325 WeakPolarHBondContact O-CB 2.89Å; P322-Y325 WeakPolarHBondContact O-CD2 3.26Å; P322-Y325 PolarHBondContact O-N 3.22Å; P322-Y325 VanDerWaalsContact O-N 3.11Å
323G87.1Confident85.1Confident82 Ų8264.2 Ų64.285%0.84540%0.403SS*.THydrogen-bonded Turntrans-52.7134.7-179.700000112.3
324G87.4Confident85.3Confident56 Ų5669 Ų6958%0.57742%0.423SS*.THydrogen-bonded Turntrans93.5-5.2-173.600000115.2P322 A335P322-G324 PolarHBondContact O-N 3.35Å; G324-A335 PolarHBondContact O-N 3.29Å; G324-A335 VanDerWaalsContact O-N 3.11Å
325Y90.6Very high84.9Confident77 Ų7766.8 Ų66.830%0.30241%0.414SS..EExtended strand (participates in β ladder)trans-115.9141.7177.8-63.5-101.2000111.1V314 P322 C333 Q334V314-Y325 HydrophobicContact CB-CE1 4.17Å; V314-Y325 HydrophobicContact CG2-CD1 4.03Å; V314-Y325 HydrophobicContact CG2-CE1 3.3Å; P322-Y325 HydrophobicContact CB-CD2 4.37Å; P322-Y325 HydrophobicContact CG-CD2 3.76Å; P322-Y325 HydrophobicContact CG-CE2 4.24Å; P322-Y325 HydrophobicContact CG-CG 4.26Å; P322-Y325 WeakPolarHBondContact O-CB 2.89Å; P322-Y325 WeakPolarHBondContact O-CD2 3.26Å; P322-Y325 PolarHBondContact O-N 3.22Å; P322-Y325 VanDerWaalsContact O-N 3.11Å; Y325-C333 CarbonylContact C-O 3.55Å; Y325-C333 WeakPolarHBondContact CA-O 2.84Å; Y325-C333 VanDerWaalsContact CD1-C 3.46Å; Y325-Q334 HydrophobicContact CD1-CB 4.07Å; Y325-Q334 VanDerWaalsContact CD1-N 3.3Å; Y325-Q334 HydrophobicContact CE1-CB 3.87Å
326I87.7Confident83.9Confident86 Ų8668.3 Ų68.344%0.44143%0.43SS..EExtended strand (participates in β ladder)trans-103.6148170.555.5169.4000109.8E328 C333 A335I326-E328 PolarHBondContact O-N 2.63Å; I326-C333 WeakPolarHBondContact CG1-O 3.03Å; I326-C333 PolarHBondContact N-O 2.96Å; I326-C333 PolarHBondContact O-N 2.72Å; I326-A335 HydrophobicContact CG2-CB 4.12Å
327C89.5Confident82.4Confident83 Ų8373.9 Ų73.956%0.56145%0.447SS*.EExtended strand (participates in β ladder)trans-80.5114.2175.1173.10000108.8C317 G331C317-C327 HydrophobicContact CB-CB 3.37Å; C317-C327 WeakPolarHBondContact CB-SG 2.96Å; C317-C327 WeakPolarHBondContact SG-CB 3.4Å; C317-C327 CovalentContact SG-SG 2.02Å; C317-C327 PolarHBondContact SG-SG 3.04Å; C327-G331 CarbonylContact C-O 3.6Å; C327-G331 WeakPolarHBondContact CA-O 3.15Å
328E85Confident80.3Confident49 Ų4980.5 Ų80.523%0.22948%0.482CS..EExtended strand (participates in β ladder)trans-132.4125.9-179.6-157.4172.6-137.700108.7L308 I326 A330 G331 C333L308-E328 WeakPolarHBondContact CB-OE2 3.49Å; L308-E328 VanDerWaalsContact CD1-CD 3.49Å; L308-E328 HydrophobicContact CD1-CG 4.14Å; L308-E328 VanDerWaalsContact CD1-OE1 3.28Å; L308-E328 WeakPolarHBondContact CD1-OE1 2.95Å; L308-E328 PolarHBondContact N-OE2 2.81Å; I326-E328 PolarHBondContact O-N 2.63Å; E328-A330 VanDerWaalsContact C-N 3.28Å; E328-A330 PolarHBondContact O-N 2.9Å; E328-A330 VanDerWaalsContact O-N 3.16Å; E328-G331 PolarHBondContact N-O 3.05Å; E328-G331 PolarHBondContact O-N 3.05Å; E328-G331 VanDerWaalsContact O-O 3.09Å; E328-C333 HydrophobicContact CB-CB 4.13Å
329Q80.6Confident78.4Confident100 Ų10077.9 Ų77.947%0.46748%0.482SS..THydrogen-bonded Turntrans48.944179.3-62.6-178.47.700114.6Q305 G331Q305-Q329 HydrophobicContact CB-CB 3.87Å; Q305-Q329 HydrophobicContact CG-CB 4.16Å; Q305-Q329 VanDerWaalsContact OE1-OE1 3.05Å; Q329-G331 PolarHBondContact O-N 2.83Å
330A79.3Confident77Confident51 Ų5176.3 Ų76.342%0.42148%0.482SS..THydrogen-bonded Turntrans67.95.1-176.200000116.2A316 C317 F318 E328A316-A330 CarbonylContact C-O 3.44Å; A316-A330 WeakPolarHBondContact CA-O 3.46Å; C317-A330 PolarHBondContact N-O 2.69Å; C317-A330 WeakPolarHBondContact SG-CA 3.44Å; F318-A330 HydrophobicContact CZ-CB 4.13Å; E328-A330 VanDerWaalsContact C-N 3.28Å; E328-A330 PolarHBondContact O-N 2.9Å; E328-A330 VanDerWaalsContact O-N 3.16Å
331G84.7Confident75Confident4 Ų479.9 Ų79.94%0.04150%0.499CS..EExtended strand (participates in β ladder)trans-111.8155.6173.600000113.7G315 C327 E328 Q329G315-G331 CarbonylContact O-C 3.56Å; G315-G331 WeakPolarHBondContact O-CA 3.49Å; C327-G331 CarbonylContact C-O 3.6Å; C327-G331 WeakPolarHBondContact CA-O 3.15Å; E328-G331 PolarHBondContact N-O 3.05Å; E328-G331 PolarHBondContact O-N 3.05Å; E328-G331 VanDerWaalsContact O-O 3.09Å; Q329-G331 PolarHBondContact O-N 2.83Å
332C91.9Very high72.8Confident3 Ų389.6 Ų89.62%0.0253%0.532CS..EExtended strand (participates in β ladder)trans-89.7110.5171.6-69.40000110.6P313 V314 G315 C317 C321P313-C332 WeakPolarHBondContact CA-O 3.03Å; V314-C332 PolarHBondContact N-O 2.03Å; G315-C332 PolarHBondContact O-N 3.06Å; C317-C332 VanDerWaalsContact CB-SG 3.59Å; C321-C332 WeakPolarHBondContact CA-SG 3.43Å; C321-C332 HydrophobicContact CB-CB 3.69Å; C321-C332 WeakPolarHBondContact CB-SG 3.29Å; C321-C332 WeakPolarHBondContact SG-CA 3.02Å; C321-C332 WeakPolarHBondContact SG-CB 3.35Å; C321-C332 CovalentContact SG-SG 2.04Å; C321-C332 PolarHBondContact SG-SG 3.3Å
333C91.5Very high70.7Confident2 Ų289.6 Ų89.61%0.01455%0.545CS..EExtended strand (participates in β ladder)trans-115.3135.4-171.9-68.60000110.5C307 Y325 I326 E328 A335C307-C333 WeakPolarHBondContact CA-SG 3.26Å; C307-C333 HydrophobicContact CB-CB 3.5Å; C307-C333 WeakPolarHBondContact CB-SG 2.91Å; C307-C333 WeakPolarHBondContact SG-CA 3.35Å; C307-C333 WeakPolarHBondContact SG-CB 3.37Å; C307-C333 CovalentContact SG-SG 2.02Å; C307-C333 PolarHBondContact SG-SG 3.32Å; Y325-C333 CarbonylContact C-O 3.55Å; Y325-C333 WeakPolarHBondContact CA-O 2.84Å; Y325-C333 VanDerWaalsContact CD1-C 3.46Å; I326-C333 WeakPolarHBondContact CG1-O 3.03Å; I326-C333 PolarHBondContact N-O 2.96Å; I326-C333 PolarHBondContact O-N 2.72Å; E328-C333 HydrophobicContact CB-CB 4.13Å; C333-A335 PolarHBondContact O-N 2.01Å
334Q86.2Confident68.8Low135 Ų13591.4 Ų91.463%0.63154%0.542SS*.EExtended strand (participates in β ladder)trans-62.3130.3-178.4-171.5171.4-15.900108.5Y325 G336Y325-Q334 HydrophobicContact CD1-CB 4.07Å; Y325-Q334 VanDerWaalsContact CD1-N 3.3Å; Y325-Q334 HydrophobicContact CE1-CB 3.87Å; Q334-G336 PolarHBondContact O-N 3.47Å
335A74.9Confident66.7Low49 Ų4997.8 Ų97.841%0.40556%0.559SS.*  trans-59.5106.5178.200000108.2G324 I326 C333 M337G324-A335 PolarHBondContact O-N 3.29Å; G324-A335 VanDerWaalsContact O-N 3.11Å; I326-A335 HydrophobicContact CG2-CB 4.12Å; C333-A335 PolarHBondContact O-N 2.01Å; A335-M337 PolarHBondContact O-N 3.4Å
336G60.9Low64.6Low65 Ų65102.2 Ų102.267%0.6759%0.587SS**  trans-58.8112-176.400000109.4Q334 N338Q334-G336 PolarHBondContact O-N 3.47Å; G336-N338 PolarHBondContact O-N 3.49Å
337M51.3Low62.8Low181 Ų181103 Ų10389%0.89260%0.597SS**  trans-57.7118.4155.7-70.3-174.5148.800106.4A335 P339A335-M337 PolarHBondContact O-N 3.4Å; M337-P339 VanDerWaalsContact O-CD 3.27Å; M337-P339 WeakPolarHBondContact O-CD 3.47Å; M337-P339 VanDerWaalsContact O-N 3.08Å
338N45.7Very low60.9Low150 Ų150108.8 Ų108.880%0.80261%0.609SS**  trans-41.9115.8174.5-109.1-19.2000109.9G336 L340G336-N338 PolarHBondContact O-N 3.49Å; N338-L340 PolarHBondContact O-N 3.09Å; N338-L340 VanDerWaalsContact O-N 3.13Å
339P39.2Very low59Low121 Ų121112.5 Ų112.579%0.78663%0.628SS**SBendtrans-89.354.4175.234.7-29.4000109.2M337M337-P339 VanDerWaalsContact O-CD 3.27Å; M337-P339 WeakPolarHBondContact O-CD 3.47Å; M337-P339 VanDerWaalsContact O-N 3.08Å
340L44.9Very low57.3Low151 Ų151113.4 Ų113.479%0.79165%0.645SS**  trans-159.581.5176.2-93.9176.2000110.9N338N338-L340 PolarHBondContact O-N 3.09Å; N338-L340 VanDerWaalsContact O-N 3.13Å
341S42.7Very low55.7Low126 Ų126114.4 Ų114.488%0.88166%0.66SS**  trans-161.698.7149.7-91.20000110
342Y44.6Very low54Low240 Ų240122.8 Ų122.894%0.94170%0.701SS**  trans-64.1134.4160.9-102.2-103.9000109.6
343G38.6Very low52.1Low70 Ų70132.4 Ų132.472%0.72274%0.743SS**  trans170100.9167.900000111.9
344P48.5Very low50.3Low120 Ų120138.3 Ų138.378%0.77978%0.781SS**  trans-90.8146.9178.435.2-29.1000110.4
345M43.4Very low48.6Very low190 Ų190135.3 Ų135.394%0.93679%0.786SS**  trans-177.7100.5141.5-82.2-128.7156.800109.9
346L46.3Very low47.6Very low171 Ų171139.2 Ų139.290%0.89581%0.807SS**  21.8160.4127.6-82.8168.5000121.9
347P49.7Very low46.8Very low102 Ų102144.1 Ų144.166%0.66282%0.817SS**  -120.2174.5-122.442.3-29000113.2
348Y48.4Very low47.5Very low204 Ų204141.1 Ų141.180%0.881%0.811SS**  trans-170.1135.2152.8-128.2-127.3000113.9
349M45.6Very low48Very low128 Ų128139 Ų13963%0.63181%0.806SS**  trans68.8113.2150.2-61.3-75.5155.300118.9
350S45.6Very low48.6Very low118 Ų118144.4 Ų144.483%0.82581%0.812SS**  83.2123.160.9-65.90000114.6
351G44.4Very low48.4Very low72 Ų72141 Ų14174%0.74281%0.813SS**  trans144.682.2166.600000112.4
352M50Low48.6Very low181 Ų181139.5 Ų139.589%0.89281%0.808SS**  53.311190.4-69.8-170.6173.300115.4
353F52.2Low48.8Very low205 Ų205136 Ų13690%0.89981%0.806SS**  174.4135.3121.6-104.7-77.9000111.7
354P52.5Low49.3Very low125 Ų125140.4 Ų140.481%0.81281%0.812SS**  trans-113161.2174.538.4-28.3000114.8
355G51.7Low49.1Very low72 Ų72137.8 Ų137.874%0.74281%0.806SS**  trans109.5168.2157.900000116.2
356P52.6Low49.5Very low132 Ų132134.9 Ų134.986%0.85780%0.802SS**  cis-132178.8-30.534.2-14.7000113.2
357L43.8Very low49.5Very low167 Ų167135.3 Ų135.387%0.87480%0.804SS**  trans-56.3158.3176.4-64.7159000115.1
358P67.3Low49.3Very low118 Ų118134 Ų13477%0.76681%0.809SS**  trans-114.4143.1144.334-25.3000112.4
359P55.8Low49.1Very low107 Ų107131.8 Ų131.870%0.69581%0.811SS**  trans-101.8-179.9167.727.5-10.4000112.4
360Y51.3Low49.1Very low234 Ų234130.6 Ų130.692%0.91882%0.822SS**  trans88.7129.1166.3-71.4-88.8000119.4
361G41.8Very low48.9Very low78 Ų78128.4 Ų128.480%0.80482%0.817SS**  trans162.755.9164.100000114.8
362A46.4Very low48.9Very low95 Ų95133 Ų13379%0.78582%0.824SS**  trans-71138.316600000110.3
363N48.5Very low48.6Very low167 Ų167130.9 Ų130.989%0.89382%0.821SS**  trans-128.8106.9165.3-119.4-41.1000108.9
364I48.3Very low48.2Very low163 Ų163125.9 Ų125.984%0.83682%0.818SS**  trans-109.9128.6165.9-57.1169.7000104.8
365G44.4Very low47.6Very low65 Ų65125 Ų12567%0.6781%0.814SS**  trans-150.5149.9174.700000110.5
366P53.7Low47.4Very low129 Ų129128.6 Ų128.684%0.83882%0.822SS**  -120.2172.6-11834.7-22.6000115.4
367L44.5Very low46.9Very low179 Ų179125.5 Ų125.594%0.93781%0.813SS**  trans-43.9137.2163.4-78.5136.9000113.7
368G46.2Very low46.9Very low74 Ų74124.5 Ų124.576%0.76381%0.814SS**  trans-135.1100.1168.800000111.4
369N45.3Very low46.2Very low158 Ų158124.2 Ų124.285%0.84581%0.812SS**  trans16.8122153.4-75.7-15.4000123.1
370A43.9Very low45.9Very low104 Ų104124.5 Ų124.586%0.8681%0.814SS**  22.5131.7118.900000121.2
371G42.6Very low45.5Very low71 Ų71121.5 Ų121.573%0.73281%0.812SS**  trans178.79316000000115.3
372L43.8Very low45.7Very low168 Ų168124.7 Ų124.788%0.8881%0.81SS**  trans66101.4140.1-73150.6000122.4
373V44.3Very low45.7Very low138 Ų138125.6 Ų125.684%0.83681%0.808SS**  10.9120.1128.2-159.80000119.1
374A43.1Very low45.4Very low100 Ų100124.5 Ų124.583%0.82681%0.807SS**  trans-156.2122.8135.800000110.6
375S41Very low45.1Very low105 Ų105127.9 Ų127.973%0.73481%0.809SS**  trans-66151.8170.445.20000112.7
376V45.6Very low45.1Very low149 Ų149129 Ų12990%0.90381%0.812SS**  trans155.8127.61351650000110.2
377G42.6Very low44.4Very low66 Ų66134.1 Ų134.168%0.6882%0.815SS**  trans116.182.3151.600000117P379G377-P379 WeakPolarHBondContact O-CD 3.42Å
378T44Very low44.4Very low146 Ų146131.6 Ų131.690%0.89681%0.809SS**PPolyproline II helixtrans-67.2121.5158.734.50000111.1
379P53.8Low44.7Very low112 Ų112137.8 Ų137.873%0.72782%0.815SS**PPolyproline II helixtrans-90.5158.1164.834.5-28.6000111.2G377G377-P379 WeakPolarHBondContact O-CD 3.42Å
380P48.2Very low45.3Very low113 Ų113138 Ų13873%0.73481%0.811SS**PPolyproline II helixtrans-73.9149.5-163.930.1-34.9000113.4L382P380-L382 PolarHBondContact O-N 2.84Å; P380-L382 VanDerWaalsContact O-N 3.11Å
381I43.6Very low45.9Very low172 Ų172138.1 Ų138.188%0.88280%0.803SS**  trans-63105.5172.1-60.8169.1000108.5
382L45Very low46.9Very low145 Ų145139.6 Ų139.676%0.75979%0.791SS**  trans-79.8142.6168.1-72.4172.5000109.9P380 V384P380-L382 PolarHBondContact O-N 2.84Å; P380-L382 VanDerWaalsContact O-N 3.11Å; L382-V384 PolarHBondContact O-N 3.42Å
383P47Very low48.3Very low113 Ų113136.4 Ų136.473%0.73477%0.774SS**  trans-63.3135.3-176.526.4-33000110.4R385P383-R385 PolarHBondContact O-N 2.97Å
384V43.3Very low49.8Very low144 Ų144130 Ų13087%0.87374%0.736SS**  trans-57.299.7174177.20000108.4L382 A386L382-V384 PolarHBondContact O-N 3.42Å; V384-A386 PolarHBondContact O-N 2.83Å; V384-A386 VanDerWaalsContact O-N 3.09Å
385R41.7Very low51.3Low235 Ų235135.2 Ų135.289%0.88773%0.734SS**  trans-62.8111.9174.8-153.4173.8-171.21642.9107.3P383 R387P383-R385 PolarHBondContact O-N 2.97Å; R385-R387 PolarHBondContact O-N 3.1Å
386A43.1Very low52.7Low89 Ų89134 Ų13474%0.73672%0.719SS**PPolyproline II helixtrans-46.6124.4177.600000109.8V384V384-A386 PolarHBondContact O-N 2.83Å; V384-A386 VanDerWaalsContact O-N 3.09Å
387R40.7Very low54.2Low236 Ų236129.5 Ų129.589%0.89170%0.703SS**PPolyproline II helixtrans-55.6135.8175.6-73.5-175.1-175.8-178.63.5108.2R385 K389R385-R387 PolarHBondContact O-N 3.1Å; R387-K389 PolarHBondContact O-N 3.11Å; R387-K389 VanDerWaalsContact O-N 3.1Å
388P44Very low55.8Low126 Ų126130.4 Ų130.482%0.81869%0.69SS**PPolyproline II helixtrans-55.7122.2168.8-14.927000107.7E390P388-E390 PolarHBondContact O-N 3.26Å; P388-E390 VanDerWaalsContact O-N 3.16Å
389K51.5Low57.6Low204 Ų204130.2 Ų130.289%0.88768%0.683SS**PPolyproline II helixtrans-54.3121.3174-126.5176.4179.9-178.50107.1R387R387-K389 PolarHBondContact O-N 3.11Å; R387-K389 VanDerWaalsContact O-N 3.1Å
390E57.9Low59Low163 Ų163127.1 Ų127.176%0.76266%0.663SS**PPolyproline II helixtrans-55.8132.6177.9-167.4165.6170.500108.7P388 Q392P388-E390 PolarHBondContact O-N 3.26Å; P388-E390 VanDerWaalsContact O-N 3.16Å; E390-Q392 PolarHBondContact O-N 3.37Å
391P57.3Low60.7Low106 Ų106127.1 Ų127.169%0.68865%0.654SS**  trans-57.5114.8179.722-31000108.5L393P391-L393 PolarHBondContact O-N 2.87Å; P391-L393 VanDerWaalsContact O-N 3.09Å
392Q62.9Low62.7Low102 Ų102120.4 Ų120.448%0.47763%0.628SS.*  trans-70.9105.4179.8-67.4-79.6-47.800107.1E390 N434E390-Q392 PolarHBondContact O-N 3.37Å; Q392-N434 HydrophobicContact CB-CB 4.4Å
393L73.2Confident64.7Low100 Ų100119 Ų11952%0.52463%0.625SS.*  trans-64.7147173.8-77.7146.5000109.7P391P391-L393 PolarHBondContact O-N 2.87Å; P391-L393 VanDerWaalsContact O-N 3.09Å
394C77Confident66.6Low5 Ų5114 Ų1143%0.03459%0.594CS.*  trans-60.1150.2167.2-65.10000109.8N396 G397 E398 C438C394-N396 WeakPolarHBondContact CB-OD1 2.89Å; C394-N396 PolarHBondContact O-N 3.47Å; C394-G397 PolarHBondContact O-N 2.93Å; C394-E398 PolarHBondContact N-O 2.98Å; C394-C438 WeakPolarHBondContact CA-SG 3.05Å; C394-C438 HydrophobicContact CB-CB 3.65Å; C394-C438 WeakPolarHBondContact CB-SG 3.11Å; C394-C438 WeakPolarHBondContact SG-CA 3.3Å; C394-C438 WeakPolarHBondContact SG-CB 3.29Å; C394-C438 CovalentContact SG-SG 2.03Å; C394-C438 PolarHBondContact SG-SG 3.21Å
395W74.8Confident68.4Low209 Ų209112.3 Ų112.379%0.79258%0.58SS**THydrogen-bonded Turntrans-59.4-17.1-177.6-75.383.9000113.7Q433W395-Q433 VanDerWaalsContact CD1-OE1 3.24Å
396N70Confident69.6Low79 Ų79104 Ų10442%0.42257%0.567SS.*THydrogen-bonded Turntrans-89.8-0.617562.6-8.9000114.2C394 E398C394-N396 WeakPolarHBondContact CB-OD1 2.89Å; C394-N396 PolarHBondContact O-N 3.47Å; N396-E398 VanDerWaalsContact C-N 3.29Å; N396-E398 PolarHBondContact ND2-OE2 3.37Å; N396-E398 PolarHBondContact O-N 3.09Å; N396-E398 PolarHBondContact OD1-N 3.31Å
397G76Confident70.7Confident55 Ų55108.4 Ų108.457%0.56757%0.569SS**SBendtrans79.25.3-179.500000114.9C394C394-G397 PolarHBondContact O-N 2.93Å
398E78Confident71.3Confident85 Ų85106.1 Ų106.140%0.39757%0.571SS.*PPolyproline II helixtrans-79151173.3-64.2-176.6139.600111.1C394 N396C394-E398 PolarHBondContact N-O 2.98Å; N396-E398 VanDerWaalsContact C-N 3.29Å; N396-E398 PolarHBondContact ND2-OE2 3.37Å; N396-E398 PolarHBondContact O-N 3.09Å; N396-E398 PolarHBondContact OD1-N 3.31Å
399D81Confident71.4Confident142 Ų142105.1 Ų105.176%0.75957%0.567SS**PPolyproline II helixtrans-68.7132.6173.8-71.2-47000109.8
400P82.2Confident71.2Confident47 Ų47101.5 Ų101.531%0.30556%0.562SS.*PPolyproline II helixtrans-67.3140-178.627.4-34.5000111.7G402P400-G402 VanDerWaalsContact C-N 3.29Å; P400-G402 PolarHBondContact O-N 2.92Å
401M84.7Confident70.4Confident112 Ų112102.3 Ų102.355%0.55257%0.566SS**SBendtrans-82.7-8-177.1-140-169.57300113.5P427 Y430 C437M401-P427 HydrophobicContact CE-CG 3.46Å; M401-P427 VanDerWaalsContact CE-CG 3.46Å; M401-Y430 HydrophobicContact CB-CD1 4.22Å; M401-Y430 HydrophobicContact CB-CE1 3.8Å; M401-Y430 HydrophobicContact CE-CE2 4.29Å; M401-Y430 HydrophobicContact CG-CE1 4.3Å; M401-Y430 HydrophobicContact SD-CE1 3.92Å; M401-Y430 HydrophobicContact SD-CE2 3.81Å; M401-Y430 PolarHBondContact SD-OH 2.94Å; M401-C437 PolarHBondContact N-O 2.86Å; M401-C437 VanDerWaalsContact N-O 3.1Å
402G85.4Confident69.8Low32 Ų32103 Ų10333%0.3357%0.57SS.*SBendtrans171.5178.7-179.400000111.1P400 S436 C437P400-G402 VanDerWaalsContact C-N 3.29Å; P400-G402 PolarHBondContact O-N 2.92Å; G402-S436 CarbonylContact O-C 3.5Å; G402-S436 VanDerWaalsContact O-CA 3.3Å; G402-S436 WeakPolarHBondContact O-CA 3.28Å; G402-C437 PolarHBondContact O-N 3.22Å
403T86.8Confident68.9Low114 Ų114103.3 Ų103.370%0.69959%0.591SS**BIsolated β-bridgetrans-104.1142.9174.250.70000111S435T403-S435 CarbonylContact C-O 3.49Å; T403-S435 WeakPolarHBondContact CA-O 3.42Å; T403-S435 WeakPolarHBondContact CB-O 3.42Å
404C87Confident67.5Low10 Ų10102.6 Ų102.67%0.06861%0.607CS.*  trans-127.8151.7175.953.80000109.3C432 S435 S436C404-C432 HydrophobicContact CB-CB 3.77Å; C404-C432 WeakPolarHBondContact CB-SG 3.07Å; C404-C432 WeakPolarHBondContact SG-CA 2.97Å; C404-C432 WeakPolarHBondContact SG-CB 3.38Å; C404-C432 CovalentContact SG-SG 2.01Å; C404-C432 PolarHBondContact SG-SG 2.79Å; C404-S435 PolarHBondContact N-O 3Å; C404-S435 CarbonylContact O-C 3.36Å; C404-S435 WeakPolarHBondContact O-CA 3.15Å; C404-S435 VanDerWaalsContact O-CB 3.24Å; C404-S435 WeakPolarHBondContact O-CB 3.27Å; C404-S436 PolarHBondContact SG-N 3.24Å; C404-S436 PolarHBondContact SG-O 3.3Å
405D82.5Confident65.9Low108 Ų108105.5 Ų105.558%0.57864%0.638SS**  trans-95.8108.9176.9-103.6-43.2000109.8K407 H423D405-K407 PolarHBondContact O-N 3.06Å; D405-H423 IonicContact OD2-CE1 3.72Å; D405-H423 IonicContact OD2-NE2 2.67Å
406G66.4Low64.6Low60 Ų60102.5 Ų102.562%0.61964%0.643SS**  trans-71.225.1-176.800000115.1M408G406-M408 PolarHBondContact O-N 2.94Å
407K64.9Low63.2Low181 Ų181109.5 Ų109.579%0.78767%0.665SS**  trans-78.2101.6173.8-70.2-170.3-179.3-179.90108.2D405 S409D405-K407 PolarHBondContact O-N 3.06Å; K407-S409 PolarHBondContact O-N 2.92Å
408M53.9Low61.6Low189 Ų189113.9 Ų113.993%0.93168%0.675SS**  trans-49.2103.4161.4-92.4172.6150.100108.2G406 T410G406-M408 PolarHBondContact O-N 2.94Å; M408-T410 PolarHBondContact O-N 3.23Å
409S45.1Very low59.9Low104 Ų104117.6 Ų117.673%0.72769%0.693SS**  trans-74.293.7176-175.70000108.4K407 Q411K407-S409 PolarHBondContact O-N 2.92Å; S409-Q411 PolarHBondContact O-N 3.19Å
410T49.1Very low57.8Low128 Ų128118.6 Ų118.679%0.78570%0.697SS**  trans-69.6104.9152.140.70000106.9M408 P412M408-T410 PolarHBondContact O-N 3.23Å; T410-P412 WeakPolarHBondContact O-CD 3.46Å
411Q40.4Very low55.7Low181 Ų181125.7 Ų125.785%0.84672%0.723SS**  trans-57.2136.8175.8-72.1-177.2-50.800111.2S409S409-Q411 PolarHBondContact O-N 3.19Å
412P44.5Very low53.6Low120 Ų120127.3 Ų127.378%0.77974%0.74SS**  trans-108.2142.4143.820.9-3.1000110.1T410T410-P412 WeakPolarHBondContact O-CD 3.46Å
413A44.7Very low52Low109 Ų109132.1 Ų132.190%0.90175%0.753SS**  trans-67.3137.3177.600000112.3
414G43Very low50.8Low84 Ų84130.8 Ų130.887%0.86675%0.747SS**  trans109.3123.9155.400000117.1
415G44.2Very low50.4Low66 Ų66137.6 Ų137.668%0.6878%0.782SS**  trans123.286164.400000113.6
416T47.1Very low50.4Low147 Ų147133.6 Ų133.690%0.90276%0.763SS**  68.7122.399.354.10000116.4
417Y40.7Very low51.2Low225 Ų225133.7 Ų133.788%0.88275%0.752SS**  trans-59.6132.2-171.5-75.7-107.3000114.4
418D41.1Very low51.7Low147 Ų147134.7 Ų134.779%0.78676%0.759SS**  -171.9125.1121.7-100.9-40.9000113.2
419Q43.2Very low52.7Low164 Ų164127.9 Ų127.977%0.76674%0.738SS**  trans59.1112154-56.4-168.614.200122.5
420L36.9Very low54.6Low162 Ų162126.6 Ų126.685%0.84872%0.718SS**  trans92.8116.3132.7-109.171.8000120.7
421K37.4Very low56.3Low197 Ų197123.5 Ų123.586%0.85770%0.698SS**  trans79.382173.3-78.2-178.4175.2178.50116.8H423K421-H423 PolarHBondContact O-N 3.09Å; K421-H423 VanDerWaalsContact O-N 3.11Å
422T40.9Very low58.5Low146 Ų146117.3 Ų117.390%0.89668%0.675SS**  trans-49.3111.9149.633.80000109.7
423H52.2Low60.5Low132 Ų132114.7 Ų114.761%0.61165%0.652SS**  trans-62.8133.2175-124-69.9000108.9D405 K421 D425D405-H423 IonicContact OD2-CE1 3.72Å; D405-H423 IonicContact OD2-NE2 2.67Å; K421-H423 PolarHBondContact O-N 3.09Å; K421-H423 VanDerWaalsContact O-N 3.11Å; H423-D425 PolarHBondContact O-N 3.1Å; H423-D425 VanDerWaalsContact O-N 3.15Å
424P61.1Low62.5Low87 Ų87113.5 Ų113.557%0.56563%0.631SS**  trans-75.9113.4-171.729.8-31.1000109.4C426P424-C426 PolarHBondContact O-N 2.59Å
425D79.7Confident64.6Low153 Ų153112.4 Ų112.482%0.81861%0.61SS**PPolyproline II helixtrans-50.7135.5149-74.5-45.7000107.5H423H423-D425 PolarHBondContact O-N 3.1Å; H423-D425 VanDerWaalsContact O-N 3.15Å
426C82.8Confident66.7Low24 Ų24109.8 Ų109.816%0.16258%0.581CS.*PPolyproline II helixtrans-52.5140.2-179-63.70000110.1P424 C437P424-C426 PolarHBondContact O-N 2.59Å; C426-C437 WeakPolarHBondContact CA-SG 3.49Å; C426-C437 HydrophobicContact CB-CB 3.78Å; C426-C437 WeakPolarHBondContact CB-SG 3.5Å; C426-C437 WeakPolarHBondContact SG-CA 3.45Å; C426-C437 WeakPolarHBondContact SG-CB 3.22Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 3.07Å
427P82.3Confident68.7Low61 Ų61103.1 Ų103.140%0.39654%0.54SS..PPolyproline II helixtrans-57.3154.1-178.719.3-27.9000111.3M401 G429 Y430M401-P427 HydrophobicContact CE-CG 3.46Å; M401-P427 VanDerWaalsContact CE-CG 3.46Å; P427-G429 PolarHBondContact O-N 3.21Å; P427-Y430 HydrophobicContact CG-CD2 3.87Å; P427-Y430 HydrophobicContact CG-CE2 4.41Å; P427-Y430 HydrophobicContact CG-CG 4.41Å; P427-Y430 WeakPolarHBondContact O-CB 3.03Å; P427-Y430 PolarHBondContact O-N 2.72Å
428E76.4Confident71Confident202 Ų20292.5 Ų92.594%0.94450%0.499SS*.THydrogen-bonded Turntrans-47.4128179.9-77.9-173.2154.600111.3
429G74.4Confident73Confident47 Ų4791.9 Ų91.949%0.48549%0.485SS..THydrogen-bonded Turntrans94.7-0.4-174.600000115.6P427 A440P427-G429 PolarHBondContact O-N 3.21Å; G429-A440 PolarHBondContact O-N 3.22Å
430Y83.9Confident74.4Confident77 Ų7785 Ų8530%0.30246%0.457SS..EExtended strand (participates in β ladder)trans-117.9140.9174.8-67.3-99.5000111.4M401 P427 C438 R439M401-Y430 HydrophobicContact CB-CD1 4.22Å; M401-Y430 HydrophobicContact CB-CE1 3.8Å; M401-Y430 HydrophobicContact CE-CE2 4.29Å; M401-Y430 HydrophobicContact CG-CE1 4.3Å; M401-Y430 HydrophobicContact SD-CE1 3.92Å; M401-Y430 HydrophobicContact SD-CE2 3.81Å; M401-Y430 PolarHBondContact SD-OH 2.94Å; P427-Y430 HydrophobicContact CG-CD2 3.87Å; P427-Y430 HydrophobicContact CG-CE2 4.41Å; P427-Y430 HydrophobicContact CG-CG 4.41Å; P427-Y430 WeakPolarHBondContact O-CB 3.03Å; P427-Y430 PolarHBondContact O-N 2.72Å; Y430-C438 CarbonylContact C-O 3.34Å; Y430-C438 VanDerWaalsContact CA-O 3.25Å; Y430-C438 WeakPolarHBondContact CA-O 3.37Å; Y430-C438 VanDerWaalsContact CD1-C 3.49Å; Y430-R439 HydrophobicContact CD1-CB 4.37Å; Y430-R439 HydrophobicContact CE1-CB 4.15Å
431V85.1Confident76.3Confident62 Ų6286.3 Ų86.338%0.37646%0.456SS..EExtended strand (participates in β ladder)trans-113.9141.6174.684.40000109.5Q433 C438 A440V431-Q433 HydrophobicContact CG1-CG 3.99Å; V431-Q433 PolarHBondContact O-N 2.92Å; V431-C438 PolarHBondContact N-O 2.99Å; V431-C438 PolarHBondContact O-N 3.15Å; V431-A440 HydrophobicContact CB-CB 4.26Å
432C86.2Confident78.5Confident52 Ų5278.3 Ų78.335%0.35142%0.422SS..EExtended strand (participates in β ladder)trans-74.2111.7176.8-175.20000110.5C404C404-C432 HydrophobicContact CB-CB 3.77Å; C404-C432 WeakPolarHBondContact CB-SG 3.07Å; C404-C432 WeakPolarHBondContact SG-CA 2.97Å; C404-C432 WeakPolarHBondContact SG-CB 3.38Å; C404-C432 CovalentContact SG-SG 2.01Å; C404-C432 PolarHBondContact SG-SG 2.79Å
433Q87.7Confident80.5Confident64 Ų6473.1 Ų73.130%0.29939%0.391SS..EExtended strand (participates in β ladder)trans-126.8128.4174.1-82175.512.300110W395 V431 S435 S436 C438W395-Q433 VanDerWaalsContact CD1-OE1 3.24Å; V431-Q433 HydrophobicContact CG1-CG 3.99Å; V431-Q433 PolarHBondContact O-N 2.92Å; Q433-S435 VanDerWaalsContact C-N 3.28Å; Q433-S435 PolarHBondContact O-N 2.93Å; Q433-S436 PolarHBondContact N-O 3.43Å; Q433-S436 WeakPolarHBondContact O-CA 2.84Å; Q433-S436 WeakPolarHBondContact O-CB 3.42Å; Q433-S436 PolarHBondContact O-N 3.38Å; Q433-C438 HydrophobicContact CB-CB 4.34Å
434N86.8Confident82.2Confident84 Ų8470.3 Ų70.345%0.44939%0.39SS..THydrogen-bonded Turntrans49.746179.8-65.2-17.3000113.5Q392 S436Q392-N434 HydrophobicContact CB-CB 4.4Å; N434-S436 PolarHBondContact O-N 3.14Å; N434-S436 PolarHBondContact O-OG 2.67Å
435S87.2Confident83.7Confident61 Ų6166.4 Ų66.443%0.42737%0.365SS..THydrogen-bonded Turntrans60.322.1-176.3-55.20000115.1T403 C404 Q433T403-S435 CarbonylContact C-O 3.49Å; T403-S435 WeakPolarHBondContact CA-O 3.42Å; T403-S435 WeakPolarHBondContact CB-O 3.42Å; C404-S435 PolarHBondContact N-O 3Å; C404-S435 CarbonylContact O-C 3.36Å; C404-S435 WeakPolarHBondContact O-CA 3.15Å; C404-S435 VanDerWaalsContact O-CB 3.24Å; C404-S435 WeakPolarHBondContact O-CB 3.27Å; Q433-S435 VanDerWaalsContact C-N 3.28Å; Q433-S435 PolarHBondContact O-N 2.93Å
436S87.1Confident83.9Confident11 Ų1161.9 Ų61.98%0.07734%0.344CS..EExtended strand (participates in β ladder)trans-128.9138.6-179.4-48.50000110.6G402 C404 Q433 N434 C438G402-S436 CarbonylContact O-C 3.5Å; G402-S436 VanDerWaalsContact O-CA 3.3Å; G402-S436 WeakPolarHBondContact O-CA 3.28Å; C404-S436 PolarHBondContact SG-N 3.24Å; C404-S436 PolarHBondContact SG-O 3.3Å; Q433-S436 PolarHBondContact N-O 3.43Å; Q433-S436 WeakPolarHBondContact O-CA 2.84Å; Q433-S436 WeakPolarHBondContact O-CB 3.42Å; Q433-S436 PolarHBondContact O-N 3.38Å; N434-S436 PolarHBondContact O-N 3.14Å; N434-S436 PolarHBondContact O-OG 2.67Å; S436-C438 PolarHBondContact O-N 3.38Å
437C90.4Very high84Confident7 Ų766.5 Ų66.55%0.04736%0.364CS..EExtended strand (participates in β ladder)trans-77.9105.4173.3-69.30000109.3M401 G402 C426M401-C437 PolarHBondContact N-O 2.86Å; M401-C437 VanDerWaalsContact N-O 3.1Å; G402-C437 PolarHBondContact O-N 3.22Å; C426-C437 WeakPolarHBondContact CA-SG 3.49Å; C426-C437 HydrophobicContact CB-CB 3.78Å; C426-C437 WeakPolarHBondContact CB-SG 3.5Å; C426-C437 WeakPolarHBondContact SG-CA 3.45Å; C426-C437 WeakPolarHBondContact SG-CB 3.22Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 3.07Å
438C88.6Confident84.2Confident2 Ų266.8 Ų66.81%0.01438%0.378CS..EExtended strand (participates in β ladder)trans-107.9143.4-178.6-66.60000109.9C394 Y430 V431 Q433 S436 A440C394-C438 WeakPolarHBondContact CA-SG 3.05Å; C394-C438 HydrophobicContact CB-CB 3.65Å; C394-C438 WeakPolarHBondContact CB-SG 3.11Å; C394-C438 WeakPolarHBondContact SG-CA 3.3Å; C394-C438 WeakPolarHBondContact SG-CB 3.29Å; C394-C438 CovalentContact SG-SG 2.03Å; C394-C438 PolarHBondContact SG-SG 3.21Å; Y430-C438 CarbonylContact C-O 3.34Å; Y430-C438 VanDerWaalsContact CA-O 3.25Å; Y430-C438 WeakPolarHBondContact CA-O 3.37Å; Y430-C438 VanDerWaalsContact CD1-C 3.49Å; V431-C438 PolarHBondContact N-O 2.99Å; V431-C438 PolarHBondContact O-N 3.15Å; Q433-C438 HydrophobicContact CB-CB 4.34Å; S436-C438 PolarHBondContact O-N 3.38Å; C438-A440 PolarHBondContact O-N 2.96Å; C438-A440 VanDerWaalsContact O-N 3.17Å
439R82Confident84.6Confident134 Ų13458.7 Ų58.751%0.50635%0.348SS..EExtended strand (participates in β ladder)trans-57.9125.9177.9-166.7173.3178.9175.40.5109Y430 K441Y430-R439 HydrophobicContact CD1-CB 4.37Å; Y430-R439 HydrophobicContact CE1-CB 4.15Å; R439-K441 PolarHBondContact O-N 2.64Å; R439-K441 VanDerWaalsContact O-N 3.15Å
440A73.8Confident85.2Confident20 Ų2062.9 Ų62.917%0.16536%0.358CS..  trans-56.4124.8-177.900000108.5G429 V431 C438 L442G429-A440 PolarHBondContact O-N 3.22Å; V431-A440 HydrophobicContact CB-CB 4.26Å; C438-A440 PolarHBondContact O-N 2.96Å; C438-A440 VanDerWaalsContact O-N 3.17Å; A440-L442 VanDerWaalsContact C-N 3.33Å; A440-L442 PolarHBondContact O-N 2.85Å
441K77.3Confident85.5Confident189 Ų18959.4 Ų59.482%0.82235%0.345SS*.  trans-6895.7-178.2-174.3178.8-179.9-179.10108.1R439R439-K441 PolarHBondContact O-N 2.64Å; R439-K441 VanDerWaalsContact O-N 3.15Å
442L81.6Confident85.7Confident29 Ų2960.9 Ų60.915%0.15235%0.35CS..PPolyproline II helixtrans-56.1138.5171.6-77.5155.4000108.9A440 I450 A451 E454A440-L442 VanDerWaalsContact C-N 3.33Å; A440-L442 PolarHBondContact O-N 2.85Å; L442-I450 HydrophobicContact CB-CG2 3.89Å; L442-A451 HydrophobicContact CB-CB 4.19Å; L442-A451 VanDerWaalsContact CD1-O 3.29Å; L442-A451 WeakPolarHBondContact CD1-O 3.37Å; L442-A451 HydrophobicContact CD2-CB 4.35Å; L442-E454 HydrophobicContact CD2-CG 3.96Å
443P84.9Confident85.9Confident38 Ų3862.1 Ų62.125%0.24735%0.351CS..PPolyproline II helixtrans-59.2144.1-179.725.8-34.5000110C445 A451 K467P443-C445 PolarHBondContact O-N 3.31Å; P443-A451 HydrophobicContact CG-CB 4.35Å; P443-A451 WeakPolarHBondContact O-CB 3.25Å; P443-A451 PolarHBondContact O-N 2.96Å; P443-K467 HydrophobicContact CB-CB 4.38Å; P443-K467 WeakPolarHBondContact CG-O 3.19Å
444A87Confident86.1Confident72 Ų7264.3 Ų64.360%0.59536%0.361SS*.BIsolated β-bridgetrans-69.5129.7171.900000109
445C91.4Very high86.4Confident5 Ų561.5 Ų61.53%0.03435%0.348CS..PPolyproline II helixtrans-67.5152.3170.2-58.40000109.5P443 E447 G448 G449 C471P443-C445 PolarHBondContact O-N 3.31Å; C445-E447 PolarHBondContact O-N 2.84Å; C445-E447 VanDerWaalsContact O-N 3.15Å; C445-G448 PolarHBondContact O-N 3.15Å; C445-G449 WeakPolarHBondContact CB-O 3.24Å; C445-G449 PolarHBondContact N-O 2.73Å; C445-C471 WeakPolarHBondContact CA-SG 3.39Å; C445-C471 HydrophobicContact CB-CB 3.7Å; C445-C471 WeakPolarHBondContact CB-SG 3.42Å; C445-C471 WeakPolarHBondContact SG-CA 3.3Å; C445-C471 WeakPolarHBondContact SG-CB 2.87Å; C445-C471 CovalentContact SG-SG 2.03Å; C445-C471 PolarHBondContact SG-SG 2.97Å
446P85.6Confident86.6Confident59 Ų5970.2 Ų70.238%0.38337%0.371SS..THydrogen-bonded Turntrans-63-22.7-17824.7-33000113.1G448 Y466 W485P446-G448 PolarHBondContact O-N 3.49Å; P446-Y466 HydrophobicContact CG-CE1 4.29Å; P446-W485 HydrophobicContact CB-CZ3 4.35Å; P446-W485 HydrophobicContact CG-CE3 3.86Å; P446-W485 HydrophobicContact CG-CH2 3.29Å; P446-W485 HydrophobicContact CG-CZ2 3.99Å; P446-W485 HydrophobicContact CG-CZ3 3.21Å
447E85.2Confident86.7Confident121 Ų12174.4 Ų74.457%0.56541%0.407SS*.THydrogen-bonded Turntrans-793.9172-64.5-17015600114.1C445 G449 P474C445-E447 PolarHBondContact O-N 2.84Å; C445-E447 VanDerWaalsContact O-N 3.15Å; E447-G449 VanDerWaalsContact C-N 3.3Å; E447-G449 PolarHBondContact O-N 3.11Å; E447-P474 WeakPolarHBondContact OE1-CB 2.97Å
448G85.5Confident86.7Confident67 Ų6776 Ų7669%0.69142%0.424SS*.SBendtrans83.10.5-17800000114.9C445 P446C445-G448 PolarHBondContact O-N 3.15Å; P446-G448 PolarHBondContact O-N 3.49Å
449G85.8Confident87Confident31 Ų3177.8 Ų77.832%0.3244%0.436SS..PPolyproline II helixtrans-71.3159.7169.200000112.7C445 E447C445-G449 WeakPolarHBondContact CB-O 3.24Å; C445-G449 PolarHBondContact N-O 2.73Å; E447-G449 VanDerWaalsContact C-N 3.3Å; E447-G449 PolarHBondContact O-N 3.11Å
450I85.9Confident87.5Confident136 Ų13673.9 Ų73.970%0.69743%0.428SS*.BIsolated β-bridgetrans-90135.8168-56.9172.7000107.1L442L442-I450 HydrophobicContact CB-CG2 3.89Å
451A90.3Very high88.2Confident4 Ų478.6 Ų78.63%0.03346%0.46CS..PPolyproline II helixtrans-58.3148176.600000111.6L442 P443 C470L442-A451 HydrophobicContact CB-CB 4.19Å; L442-A451 VanDerWaalsContact CD1-O 3.29Å; L442-A451 WeakPolarHBondContact CD1-O 3.37Å; L442-A451 HydrophobicContact CD2-CB 4.35Å; P443-A451 HydrophobicContact CG-CB 4.35Å; P443-A451 WeakPolarHBondContact O-CB 3.25Å; P443-A451 PolarHBondContact O-N 2.96Å; A451-C470 WeakPolarHBondContact CA-O 3.49Å
452L89.7Confident88.8Confident93 Ų9371 Ų7149%0.48744%0.435SS..SBendtrans-72.8-44-174-171.575.4000112.4P460 Y463 C470L452-P460 HydrophobicContact CD2-CG 3.75Å; L452-Y463 HydrophobicContact CB-CD1 4.42Å; L452-Y463 HydrophobicContact CB-CE1 4.34Å; L452-Y463 HydrophobicContact CD2-CE1 4.48Å; L452-C470 HydrophobicContact CB-CB 4.43Å; L452-C470 PolarHBondContact N-O 2.95Å
453Q91.2Very high89.4Confident78 Ų7873.4 Ų73.436%0.36444%0.442SS..SBendtrans-156.9166-177.765.3-173.140.200109.2G458 G469 C470Q453-G458 PolarHBondContact NE2-O 2.91Å; Q453-G469 CarbonylContact O-C 3.59Å; Q453-G469 WeakPolarHBondContact O-CA 2.97Å; Q453-C470 HydrophobicContact CG-CB 4.02Å; Q453-C470 PolarHBondContact O-N 3.17Å
454E91.7Very high89.7Confident110 Ų11075.5 Ų75.551%0.51445%0.448SS..BIsolated β-bridgetrans-69.6143.8170.3-69-179-178.600110.7L442 R456 G468L442-E454 HydrophobicContact CD2-CG 3.96Å; E454-R456 PolarHBondContact O-N 3.15Å; E454-G468 CarbonylContact C-O 3.6Å; E454-G468 VanDerWaalsContact CA-O 3.3Å; E454-G468 WeakPolarHBondContact CA-O 3.34Å
455C92.3Very high90.1Very high24 Ų2475.2 Ų75.216%0.16244%0.44CS..G310 helixtrans-72.50.6-174.9-50.50000115.1A457 G458 C465 G468 G469C455-A457 PolarHBondContact O-N 3.43Å; C455-G458 PolarHBondContact O-N 3.32Å; C455-C465 HydrophobicContact CB-CB 3.6Å; C455-C465 WeakPolarHBondContact CB-SG 3.45Å; C455-C465 WeakPolarHBondContact SG-CA 3.29Å; C455-C465 WeakPolarHBondContact SG-CB 3.42Å; C455-C465 CovalentContact SG-SG 2.01Å; C455-C465 PolarHBondContact SG-SG 3.46Å; C455-G468 PolarHBondContact N-O 2.81Å; C455-G468 PolarHBondContact SG-O 3.17Å; C455-G469 PolarHBondContact SG-N 2.64Å; C455-G469 VanDerWaalsContact SG-N 3.37Å; C455-G469 PolarHBondContact SG-O 2.67Å; C455-G469 VanDerWaalsContact SG-O 3.4Å
456R91.3Very high90.1Very high245 Ų24576.8 Ų76.893%0.92545%0.446SS*.G310 helixtrans-60.2-32.7-169.4-161.8174.9-176.1-174.6-0.2112.7E454E454-R456 PolarHBondContact O-N 3.15Å
457A88.5Confident90.4Very high99 Ų9981.5 Ų81.582%0.81846%0.46SS*.G310 helixtrans-97.110.1176.700000113.8C455C455-A457 PolarHBondContact O-N 3.43Å
458G92.3Very high90.7Very high39 Ų3977.7 Ų77.740%0.40245%0.453SS..  trans82167.7-167.700000112.9Q453 C455Q453-G458 PolarHBondContact NE2-O 2.91Å; C455-G458 PolarHBondContact O-N 3.32Å
459C93.5Very high91Very high40 Ų4074.5 Ų74.527%0.2742%0.42SS..  trans-108.8144.5-179.5-62.90000111.3Y463 C470C459-Y463 WeakPolarHBondContact CB-O 3.38Å; C459-C470 WeakPolarHBondContact CA-SG 3.27Å; C459-C470 HydrophobicContact CB-CB 3.75Å; C459-C470 WeakPolarHBondContact CB-SG 3.01Å; C459-C470 WeakPolarHBondContact SG-CA 3.47Å; C459-C470 WeakPolarHBondContact SG-CB 3.5Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 2.74Å
460P92Very high91.5Very high52 Ų5273 Ų7334%0.33841%0.405SS..  trans-64.2158175.925.4-31.9000111.7L452 G462 Y463L452-P460 HydrophobicContact CD2-CG 3.75Å; P460-G462 PolarHBondContact O-N 2.93Å; P460-Y463 HydrophobicContact CG-CD2 3.83Å; P460-Y463 HydrophobicContact CG-CG 4.24Å; P460-Y463 WeakPolarHBondContact O-CB 3.35Å; P460-Y463 PolarHBondContact O-N 3.03Å
461S89.9Confident91.9Very high120 Ų12066.5 Ų66.584%0.83937%0.372SS*.THydrogen-bonded Turntrans-51.9123.5179.4-63.60000112.2
462G89.4Confident92.1Very high28 Ų2868.4 Ų68.429%0.28938%0.384SS..THydrogen-bonded Turntrans99.9-10.1-175.600000114.7P460 T473P460-G462 PolarHBondContact O-N 2.93Å; G462-T473 PolarHBondContact O-N 3.26Å; G462-T473 PolarHBondContact O-OG1 3.17Å; G462-T473 VanDerWaalsContact O-OG1 3.13Å
463Y93.7Very high92.1Very high81 Ų8165 Ų6532%0.31837%0.367SS..EExtended strand (participates in β ladder)trans-113.1147175.9-64.6-101.8000110.5L452 C459 P460 C471 P472L452-Y463 HydrophobicContact CB-CD1 4.42Å; L452-Y463 HydrophobicContact CB-CE1 4.34Å; L452-Y463 HydrophobicContact CD2-CE1 4.48Å; C459-Y463 WeakPolarHBondContact CB-O 3.38Å; P460-Y463 HydrophobicContact CG-CD2 3.83Å; P460-Y463 HydrophobicContact CG-CG 4.24Å; P460-Y463 WeakPolarHBondContact O-CB 3.35Å; P460-Y463 PolarHBondContact O-N 3.03Å; Y463-C471 CarbonylContact C-O 3.43Å; Y463-C471 VanDerWaalsContact CA-O 3.3Å; Y463-C471 WeakPolarHBondContact CA-O 3.41Å; Y463-P472 HydrophobicContact CD1-CB 4.17Å; Y463-P472 HydrophobicContact CE1-CB 3.88Å; Y463-P472 HydrophobicContact CE1-CG 4.34Å
464K92.6Very high92Very high82 Ų8262.3 Ų62.336%0.35736%0.356SS..EExtended strand (participates in β ladder)trans-131.2151.8174.9-65.9-67.7171.4157.70110.5Y466 C471 T473 T483K464-Y466 PolarHBondContact O-N 3.34Å; K464-C471 PolarHBondContact N-O 3.22Å; K464-C471 PolarHBondContact O-N 2.96Å; K464-T473 HydrophobicContact CB-CG2 3.6Å; K464-T473 HydrophobicContact CG-CG2 3.34Å; K464-T483 WeakPolarHBondContact CD-O 3.45Å; K464-T483 WeakPolarHBondContact CE-O 3.49Å; K464-T483 PolarHBondContact NZ-O 3.4Å
465C93.9Very high92Very high65 Ų6561.3 Ų61.344%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-69.9127.9-179.7-168.90000110.8C455 G469C455-C465 HydrophobicContact CB-CB 3.6Å; C455-C465 WeakPolarHBondContact CB-SG 3.45Å; C455-C465 WeakPolarHBondContact SG-CA 3.29Å; C455-C465 WeakPolarHBondContact SG-CB 3.42Å; C455-C465 CovalentContact SG-SG 2.01Å; C455-C465 PolarHBondContact SG-SG 3.46Å; C465-G469 CarbonylContact C-O 3.58Å; C465-G469 WeakPolarHBondContact CA-O 3.41Å
466Y92.2Very high92Very high39 Ų3960.4 Ų60.415%0.15336%0.355CS..EExtended strand (participates in β ladder)trans-136.5120.6172.4-178.8-100.3000108.9P446 K464 G468 G469 W485P446-Y466 HydrophobicContact CG-CE1 4.29Å; K464-Y466 PolarHBondContact O-N 3.34Å; Y466-G468 PolarHBondContact O-N 2.93Å; Y466-G469 PolarHBondContact N-O 3.46Å; Y466-G469 PolarHBondContact O-N 3.45Å; Y466-W485 HydrophobicContact CD2-CB 3.98Å; Y466-W485 HydrophobicContact CD2-CD2 4.11Å; Y466-W485 HydrophobicContact CD2-CE3 4.44Å; Y466-W485 AromaticContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CG-CG 4.42Å
467K91.4Very high91.9Very high158 Ų15853 Ų5369%0.68734%0.338SS*.THydrogen-bonded Turntrans47.835.3-177.9-62.4-172.2176.6-177.90114.4P443P443-K467 HydrophobicContact CB-CB 4.38Å; P443-K467 WeakPolarHBondContact CG-O 3.19Å
468G91.3Very high91.7Very high40 Ų4050 Ų5041%0.41232%0.318SS..THydrogen-bonded Turntrans90.9-4178.900000115.8E454 C455 Y466E454-G468 CarbonylContact C-O 3.6Å; E454-G468 VanDerWaalsContact CA-O 3.3Å; E454-G468 WeakPolarHBondContact CA-O 3.34Å; C455-G468 PolarHBondContact N-O 2.81Å; C455-G468 PolarHBondContact SG-O 3.17Å; Y466-G468 PolarHBondContact O-N 2.93Å
469G92.7Very high91.5Very high0 Ų051.2 Ų51.20%033%0.33CS..EExtended strand (participates in β ladder)trans-115.3146.5175.500000113.8Q453 C455 C465 Y466 C471Q453-G469 CarbonylContact O-C 3.59Å; Q453-G469 WeakPolarHBondContact O-CA 2.97Å; C455-G469 PolarHBondContact SG-N 2.64Å; C455-G469 VanDerWaalsContact SG-N 3.37Å; C455-G469 PolarHBondContact SG-O 2.67Å; C455-G469 VanDerWaalsContact SG-O 3.4Å; C465-G469 CarbonylContact C-O 3.58Å; C465-G469 WeakPolarHBondContact CA-O 3.41Å; Y466-G469 PolarHBondContact N-O 3.46Å; Y466-G469 PolarHBondContact O-N 3.45Å; G469-C471 PolarHBondContact O-N 2.03Å
470C95.3Very high91.3Very high0 Ų051.7 Ų51.70%033%0.332CS..EExtended strand (participates in β ladder)trans-76.1105.9173.8-660000111.1A451 L452 Q453 C459A451-C470 WeakPolarHBondContact CA-O 3.49Å; L452-C470 HydrophobicContact CB-CB 4.43Å; L452-C470 PolarHBondContact N-O 2.95Å; Q453-C470 HydrophobicContact CG-CB 4.02Å; Q453-C470 PolarHBondContact O-N 3.17Å; C459-C470 WeakPolarHBondContact CA-SG 3.27Å; C459-C470 HydrophobicContact CB-CB 3.75Å; C459-C470 WeakPolarHBondContact CB-SG 3.01Å; C459-C470 WeakPolarHBondContact SG-CA 3.47Å; C459-C470 WeakPolarHBondContact SG-CB 3.5Å; C459-C470 CovalentContact SG-SG 2.04Å; C459-C470 PolarHBondContact SG-SG 2.74Å
471C95.3Very high91.1Very high0 Ų058.2 Ų58.20%035%0.349CS..EExtended strand (participates in β ladder)trans-105.7142.2-179.2-72.50000111.8C445 Y463 K464 G469 T473 W485C445-C471 WeakPolarHBondContact CA-SG 3.39Å; C445-C471 HydrophobicContact CB-CB 3.7Å; C445-C471 WeakPolarHBondContact CB-SG 3.42Å; C445-C471 WeakPolarHBondContact SG-CA 3.3Å; C445-C471 WeakPolarHBondContact SG-CB 2.87Å; C445-C471 CovalentContact SG-SG 2.03Å; C445-C471 PolarHBondContact SG-SG 2.97Å; Y463-C471 CarbonylContact C-O 3.43Å; Y463-C471 VanDerWaalsContact CA-O 3.3Å; Y463-C471 WeakPolarHBondContact CA-O 3.41Å; K464-C471 PolarHBondContact N-O 3.22Å; K464-C471 PolarHBondContact O-N 2.96Å; G469-C471 PolarHBondContact O-N 2.03Å; C471-T473 PolarHBondContact O-N 3.12Å; C471-W485 HydrophobicContact CB-CZ2 4.15Å
472P93.1Very high91.2Very high44 Ų4452.7 Ų52.729%0.28631%0.311SS..EExtended strand (participates in β ladder)trans-64.2133.6175.527.9-33000109Y463 W485Y463-P472 HydrophobicContact CD1-CB 4.17Å; Y463-P472 HydrophobicContact CE1-CB 3.88Å; Y463-P472 HydrophobicContact CE1-CG 4.34Å; P472-W485 VanDerWaalsContact O-CZ2 3.28Å; P472-W485 WeakPolarHBondContact O-CZ2 3.01Å
473T90.1Very high91.2Very high22 Ų2253.6 Ų53.614%0.13531%0.311CS..PPolyproline II helixtrans-84.7132.9179.741.60000111.2G462 K464 C471 A482G462-T473 PolarHBondContact O-N 3.26Å; G462-T473 PolarHBondContact O-OG1 3.17Å; G462-T473 VanDerWaalsContact O-OG1 3.13Å; K464-T473 HydrophobicContact CB-CG2 3.6Å; K464-T473 HydrophobicContact CG-CG2 3.34Å; C471-T473 PolarHBondContact O-N 3.12Å; T473-A482 HydrophobicContact CG2-CB 4.38Å
474P89.8Confident91.1Very high21 Ų2152.8 Ų52.814%0.13631%0.311CS..PPolyproline II helixtrans-60.3154.5169.920.5-30.2000110.8E447 W485 V502E447-P474 WeakPolarHBondContact OE1-CB 2.97Å; P474-W485 HydrophobicContact CG-CH2 4.05Å; P474-W485 HydrophobicContact CG-CZ3 4.3Å; P474-V502 HydrophobicContact CG-CB 4.46Å; P474-V502 HydrophobicContact CG-CG1 3.6Å; P474-V502 HydrophobicContact CG-CG2 4.01Å
475S90.4Very high91Very high88 Ų8850.2 Ų50.262%0.61530%0.298SS*.BIsolated β-bridgetrans-76.6131.7172-60.40000109.2
476C92.4Very high90.9Very high6 Ų647.3 Ų47.34%0.04128%0.279CS..PPolyproline II helixtrans-60.1153.6170.7-66.70000109.4G478 G479 T480 C504C476-G478 PolarHBondContact O-N 3.39Å; C476-G479 PolarHBondContact O-N 2.85Å; C476-T480 VanDerWaalsContact CB-O 3.3Å; C476-T480 WeakPolarHBondContact CB-O 2.96Å; C476-T480 WeakPolarHBondContact CB-OG1 3.37Å; C476-T480 PolarHBondContact N-O 2.84Å; C476-C504 HydrophobicContact CB-CB 3.9Å; C476-C504 WeakPolarHBondContact CB-SG 3.02Å; C476-C504 VanDerWaalsContact SG-CA 3.53Å; C476-C504 WeakPolarHBondContact SG-CB 3.25Å; C476-C504 CovalentContact SG-SG 2.04Å; C476-C504 PolarHBondContact SG-SG 3.34Å
477P89.6Confident90.8Very high88 Ų8850.9 Ų50.957%0.57130%0.301SS*.THydrogen-bonded Turntrans-57.7-14.8-17817.6-29.8000114.9M509P477-M509 HydrophobicContact CG-CE 3.98Å; P477-M509 HydrophobicContact CG-SD 4.38Å
478G84.5Confident90.8Very high38 Ų3847 Ų4739%0.39229%0.29SS..THydrogen-bonded Turntrans-88.82.617200000115.9C476 T480C476-G478 PolarHBondContact O-N 3.39Å; G478-T480 PolarHBondContact O-N 3.2Å
479G88.9Confident90.7Very high63 Ų6350 Ų5065%0.64930%0.297SS*.SBendtrans76.90.9-172.500000114.3C476C476-G479 PolarHBondContact O-N 2.85Å
480T88.6Confident90.5Very high50 Ų5055 Ų5531%0.30733%0.332SS..PPolyproline II helixtrans-74146.2171.449.30000110.2C476 G478 L508C476-T480 VanDerWaalsContact CB-O 3.3Å; C476-T480 WeakPolarHBondContact CB-O 2.96Å; C476-T480 WeakPolarHBondContact CB-OG1 3.37Å; C476-T480 PolarHBondContact N-O 2.84Å; G478-T480 PolarHBondContact O-N 3.2Å; T480-L508 HydrophobicContact CG2-CD1 4.42Å
481R88.5Confident90.3Very high189 Ų18958.7 Ų58.771%0.71335%0.351SS*.BIsolated β-bridgetrans-75.6132.2174.8-70.7-175.6175.9-177.6-1.8109.4
482A91.2Very high90.3Very high5 Ų559.4 Ų59.44%0.04136%0.356CS..PPolyproline II helixtrans-59.8142.4171.600000111.3T473 V502T473-A482 HydrophobicContact CG2-CB 4.38Å; A482-V502 HydrophobicContact CB-CB 3.59Å; A482-V502 HydrophobicContact CB-CG1 4Å; A482-V502 HydrophobicContact CB-CG2 3.9Å
483T90.8Very high90.3Very high47 Ų4763.5 Ų63.529%0.28837%0.373SS..  trans-86-34.4-177.1470000112.7K464 Q496 C503K464-T483 WeakPolarHBondContact CD-O 3.45Å; K464-T483 WeakPolarHBondContact CE-O 3.49Å; K464-T483 PolarHBondContact NZ-O 3.4Å; T483-Q496 VanDerWaalsContact CG2-NE2 3.31Å; T483-Q496 VanDerWaalsContact OG1-CD 3.28Å; T483-Q496 PolarHBondContact OG1-NE2 2.9Å; T483-Q496 PolarHBondContact OG1-OE1 3.23Å; T483-C503 PolarHBondContact N-O 3.25Å; T483-C503 VanDerWaalsContact N-O 3.14Å; T483-C503 WeakPolarHBondContact OG1-CB 3.49Å; T483-C503 PolarHBondContact OG1-O 2.86Å
484Q90.6Very high90.4Very high64 Ų6468.9 Ų68.930%0.29941%0.408SS..SBendtrans-162.9168178.563-170.917.500110.6D491 V502 C503Q484-D491 PolarHBondContact NE2-O 2.99Å; Q484-V502 WeakPolarHBondContact O-CA 3.43Å; Q484-C503 HydrophobicContact CG-CB 3.77Å; Q484-C503 WeakPolarHBondContact CG-SG 3.41Å; Q484-C503 PolarHBondContact NE2-SG 3.03Å; Q484-C503 PolarHBondContact O-N 3.45Å
485W90.3Very high90.4Very high27 Ų2770.1 Ų70.110%0.10243%0.425CS..BIsolated β-bridgetrans-80.9150.6168.9-64.693.1000109.9P446 Y466 C471 P472 P474 N501 V502P446-W485 HydrophobicContact CB-CZ3 4.35Å; P446-W485 HydrophobicContact CG-CE3 3.86Å; P446-W485 HydrophobicContact CG-CH2 3.29Å; P446-W485 HydrophobicContact CG-CZ2 3.99Å; P446-W485 HydrophobicContact CG-CZ3 3.21Å; Y466-W485 HydrophobicContact CD2-CB 3.98Å; Y466-W485 HydrophobicContact CD2-CD2 4.11Å; Y466-W485 HydrophobicContact CD2-CE3 4.44Å; Y466-W485 AromaticContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CD2-CG 3.91Å; Y466-W485 HydrophobicContact CG-CG 4.42Å; C471-W485 HydrophobicContact CB-CZ2 4.15Å; P472-W485 VanDerWaalsContact O-CZ2 3.28Å; P472-W485 WeakPolarHBondContact O-CZ2 3.01Å; P474-W485 HydrophobicContact CG-CH2 4.05Å; P474-W485 HydrophobicContact CG-CZ3 4.3Å; W485-N501 CarbonylContact C-O 3.58Å; W485-N501 WeakPolarHBondContact CA-O 3.05Å; W485-N501 HydrophobicContact CE3-CB 4.35Å; W485-N501 VanDerWaalsContact CE3-O 3.23Å; W485-V502 HydrophobicContact CD2-CG1 3.98Å; W485-V502 HydrophobicContact CE3-CG1 3.6Å; W485-V502 HydrophobicContact CH2-CG1 4.29Å; W485-V502 HydrophobicContact CZ3-CG1 3.74Å
486C91.8Very high90.6Very high5 Ų567.6 Ų67.63%0.03440%0.404CS..  trans-143.3146.3176.650.30000109.3D491 C492 C498 N501 V502C486-D491 HydrophobicContact CB-CB 3.81Å; C486-C492 VanDerWaalsContact SG-SG 3.7Å; C486-C498 HydrophobicContact CB-CB 3.86Å; C486-C498 WeakPolarHBondContact CB-SG 3.46Å; C486-C498 PolarHBondContact O-SG 2.9Å; C486-C498 WeakPolarHBondContact SG-CA 3.45Å; C486-C498 WeakPolarHBondContact SG-CB 3.39Å; C486-C498 CovalentContact SG-SG 2.02Å; C486-C498 PolarHBondContact SG-SG 3.2Å; C486-N501 PolarHBondContact N-O 3.47Å; C486-N501 CarbonylContact O-C 3.44Å; C486-N501 WeakPolarHBondContact O-CA 2.95Å; C486-N501 WeakPolarHBondContact O-CB 3.33Å; C486-V502 VanDerWaalsContact SG-CA 3.57Å; C486-V502 PolarHBondContact SG-N 3.1Å; C486-V502 VanDerWaalsContact SG-N 3.39Å
487D91.1Very high90.7Very high114 Ų11468.5 Ų68.561%0.6141%0.41SS*.SBendtrans-99.1-26.3165.8-81.6-32.5000110.4D491D487-D491 PolarHBondContact N-OD2 3.09Å
488V91.5Very high90.9Very high75 Ų7565.5 Ų65.546%0.45539%0.391SS..SBendtrans-136.5155.2178.8-69.70000111.4S490 D491V488-S490 WeakPolarHBondContact CG2-OG 3.01Å; V488-S490 PolarHBondContact O-N 2.77Å; V488-S490 VanDerWaalsContact O-N 3.12Å; V488-D491 WeakPolarHBondContact CG2-OD1 2.88Å; V488-D491 WeakPolarHBondContact CG2-OD2 3.28Å; V488-D491 PolarHBondContact N-OD2 2.04Å; V488-D491 WeakPolarHBondContact O-CB 3.48Å; V488-D491 PolarHBondContact O-N 2.9Å
489D88Confident91.3Very high105 Ų10565.6 Ų65.656%0.56138%0.382SS*.G310 helixtrans-56.4-29.4179.9-75.4-45.4000113.7D491 C492 C498D489-D491 PolarHBondContact O-N 3.4Å; D489-C492 WeakPolarHBondContact O-CB 3.28Å; D489-C492 PolarHBondContact O-N 2.83Å; D489-C498 WeakPolarHBondContact OD1-CA 3.46Å; D489-C498 VanDerWaalsContact OD1-CB 3.22Å; D489-C498 WeakPolarHBondContact OD1-CB 3.24Å; D489-C498 PolarHBondContact OD1-N 2.92Å
490S89.6Confident91.4Very high104 Ų10469.8 Ų69.873%0.72739%0.385SS*.G310 helixtrans-69.5-15.3178.6530000114.3V488 C492V488-S490 WeakPolarHBondContact CG2-OG 3.01Å; V488-S490 PolarHBondContact O-N 2.77Å; V488-S490 VanDerWaalsContact O-N 3.12Å; S490-C492 PolarHBondContact O-N 3.23Å
491D91.3Very high91.5Very high77 Ų7771.1 Ų71.141%0.41239%0.39SS..G310 helixtrans-73.8-22.2176.7-62.7-25.1000111.2Q484 C486 D487 V488 D489Q484-D491 PolarHBondContact NE2-O 2.99Å; C486-D491 HydrophobicContact CB-CB 3.81Å; D487-D491 PolarHBondContact N-OD2 3.09Å; V488-D491 WeakPolarHBondContact CG2-OD1 2.88Å; V488-D491 WeakPolarHBondContact CG2-OD2 3.28Å; V488-D491 PolarHBondContact N-OD2 2.04Å; V488-D491 WeakPolarHBondContact O-CB 3.48Å; V488-D491 PolarHBondContact O-N 2.9Å; D489-D491 PolarHBondContact O-N 3.4Å
492C94.1Very high91.8Very high16 Ų1662.3 Ų62.311%0.10836%0.357CS..SBendtrans-80.7146.7-175.4-60.70000113.1C486 D489 S490 Q496 C503C486-C492 VanDerWaalsContact SG-SG 3.7Å; D489-C492 WeakPolarHBondContact O-CB 3.28Å; D489-C492 PolarHBondContact O-N 2.83Å; S490-C492 PolarHBondContact O-N 3.23Å; C492-Q496 HydrophobicContact CB-CB 3.85Å; C492-C503 WeakPolarHBondContact CA-SG 3.39Å; C492-C503 HydrophobicContact CB-CB 3.79Å; C492-C503 WeakPolarHBondContact CB-SG 3.36Å; C492-C503 WeakPolarHBondContact SG-CA 3.05Å; C492-C503 WeakPolarHBondContact SG-CB 3.44Å; C492-C503 CovalentContact SG-SG 2.03Å; C492-C503 PolarHBondContact SG-SG 2.89Å
493M92.5Very high91.9Very high129 Ų12962 Ų6264%0.63536%0.355SS*.PPolyproline II helixtrans-62.4150.4173.2-68.1-163.7110.300110.7G495 Q496M493-G495 PolarHBondContact O-N 2.86Å; M493-Q496 WeakPolarHBondContact O-CB 3.33Å; M493-Q496 PolarHBondContact O-N 3.43Å
494P92.6Very high92.1Very high135 Ų13560 Ų6088%0.87734%0.343SS*.THydrogen-bonded Turntrans-51.4126.3178.1-25.532.8000112.1
495G90.8Very high92.2Very high48 Ų4859.4 Ų59.450%0.49535%0.345SS..THydrogen-bonded Turntrans92.99.9-174.900000115.1M493 D506M493-G495 PolarHBondContact O-N 2.86Å; G495-D506 WeakPolarHBondContact O-CB 3Å; G495-D506 PolarHBondContact O-N 3.31Å
496Q94.2Very high91.7Very high34 Ų3460.4 Ų60.416%0.15935%0.353CS..EExtended strand (participates in β ladder)trans-121.1146.7169.9-63.9176.9-1.400109.9T483 C492 M493 C503 C504T483-Q496 VanDerWaalsContact CG2-NE2 3.31Å; T483-Q496 VanDerWaalsContact OG1-CD 3.28Å; T483-Q496 PolarHBondContact OG1-NE2 2.9Å; T483-Q496 PolarHBondContact OG1-OE1 3.23Å; C492-Q496 HydrophobicContact CB-CB 3.85Å; M493-Q496 WeakPolarHBondContact O-CB 3.33Å; M493-Q496 PolarHBondContact O-N 3.43Å; Q496-C503 HydrophobicContact CB-CB 4.25Å; Q496-C504 CarbonylContact C-O 3.43Å; Q496-C504 WeakPolarHBondContact CA-O 3.13Å; Q496-C504 WeakPolarHBondContact CB-O 3.24Å
497S93.5Very high90.5Very high25 Ų2566.8 Ų66.818%0.17539%0.386CS..EExtended strand (participates in β ladder)trans-115148.7172510000110.7I499 C503 C504 D506S497-I499 PolarHBondContact O-N 3.32Å; S497-C503 WeakPolarHBondContact O-CA 3.02Å; S497-C504 PolarHBondContact N-O 3.42Å; S497-C504 PolarHBondContact O-N 2.94Å; S497-D506 WeakPolarHBondContact CB-OD1 3.39Å; S497-D506 PolarHBondContact OG-OD1 2.92Å
498C94.8Very high89.2Confident25 Ų2565.5 Ų65.517%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-82.7105.5177.5-169.70000109.7C486 D489C486-C498 HydrophobicContact CB-CB 3.86Å; C486-C498 WeakPolarHBondContact CB-SG 3.46Å; C486-C498 PolarHBondContact O-SG 2.9Å; C486-C498 WeakPolarHBondContact SG-CA 3.45Å; C486-C498 WeakPolarHBondContact SG-CB 3.39Å; C486-C498 CovalentContact SG-SG 2.02Å; C486-C498 PolarHBondContact SG-SG 3.2Å; D489-C498 WeakPolarHBondContact OD1-CA 3.46Å; D489-C498 VanDerWaalsContact OD1-CB 3.22Å; D489-C498 WeakPolarHBondContact OD1-CB 3.24Å; D489-C498 PolarHBondContact OD1-N 2.92Å
499I92Very high87.6Confident41 Ų4166 Ų6621%0.2138%0.377CS..EExtended strand (participates in β ladder)trans-119.8119.9-179.1-55.3-178.9000107.8S497 N501 V502 C504 M509S497-I499 PolarHBondContact O-N 3.32Å; I499-N501 VanDerWaalsContact C-N 3.29Å; I499-N501 PolarHBondContact O-N 3.28Å; I499-V502 PolarHBondContact N-O 3.26Å; I499-V502 WeakPolarHBondContact O-CG2 3.3Å; I499-V502 PolarHBondContact O-N 2.93Å; I499-V502 VanDerWaalsContact O-N 3.13Å; I499-C504 HydrophobicContact CD1-CB 4.24Å; I499-M509 HydrophobicContact CD1-CE 3.68Å
500Q91Very high86.3Confident151 Ų15170.2 Ų70.271%0.70639%0.385SS*.THydrogen-bonded Turntrans54.443.6-178.1-60.7178.5-24.100113.1V502Q500-V502 PolarHBondContact O-N 2.04Å
501N92.2Very high84.9Confident78 Ų7870.9 Ų70.942%0.41738%0.38SS..THydrogen-bonded Turntrans64.218.8-178.6-50.3-27.9000114.8W485 C486 I499W485-N501 CarbonylContact C-O 3.58Å; W485-N501 WeakPolarHBondContact CA-O 3.05Å; W485-N501 HydrophobicContact CE3-CB 4.35Å; W485-N501 VanDerWaalsContact CE3-O 3.23Å; C486-N501 PolarHBondContact N-O 3.47Å; C486-N501 CarbonylContact O-C 3.44Å; C486-N501 WeakPolarHBondContact O-CA 2.95Å; C486-N501 WeakPolarHBondContact O-CB 3.33Å; I499-N501 VanDerWaalsContact C-N 3.29Å; I499-N501 PolarHBondContact O-N 3.28Å
502V93.1Very high83.2Confident3 Ų374.6 Ų74.62%0.01839%0.392CS..EExtended strand (participates in β ladder)trans-130.2143.6172.8-70.30000112.6P474 A482 Q484 W485 C486 I499 Q500 C504P474-V502 HydrophobicContact CG-CB 4.46Å; P474-V502 HydrophobicContact CG-CG1 3.6Å; P474-V502 HydrophobicContact CG-CG2 4.01Å; A482-V502 HydrophobicContact CB-CB 3.59Å; A482-V502 HydrophobicContact CB-CG1 4Å; A482-V502 HydrophobicContact CB-CG2 3.9Å; Q484-V502 WeakPolarHBondContact O-CA 3.43Å; W485-V502 HydrophobicContact CD2-CG1 3.98Å; W485-V502 HydrophobicContact CE3-CG1 3.6Å; W485-V502 HydrophobicContact CH2-CG1 4.29Å; W485-V502 HydrophobicContact CZ3-CG1 3.74Å; C486-V502 VanDerWaalsContact SG-CA 3.57Å; C486-V502 PolarHBondContact SG-N 3.1Å; C486-V502 VanDerWaalsContact SG-N 3.39Å; I499-V502 PolarHBondContact N-O 3.26Å; I499-V502 WeakPolarHBondContact O-CG2 3.3Å; I499-V502 PolarHBondContact O-N 2.93Å; I499-V502 VanDerWaalsContact O-N 3.13Å; Q500-V502 PolarHBondContact O-N 2.04Å; V502-C504 PolarHBondContact O-N 3.49Å
503C95Very high81.4Confident0 Ų078.9 Ų78.90%042%0.418CS..EExtended strand (participates in β ladder)trans-77.6117.7176.4-62.10000110.3T483 Q484 C492 Q496 S497T483-C503 PolarHBondContact N-O 3.25Å; T483-C503 VanDerWaalsContact N-O 3.14Å; T483-C503 WeakPolarHBondContact OG1-CB 3.49Å; T483-C503 PolarHBondContact OG1-O 2.86Å; Q484-C503 HydrophobicContact CG-CB 3.77Å; Q484-C503 WeakPolarHBondContact CG-SG 3.41Å; Q484-C503 PolarHBondContact NE2-SG 3.03Å; Q484-C503 PolarHBondContact O-N 3.45Å; C492-C503 WeakPolarHBondContact CA-SG 3.39Å; C492-C503 HydrophobicContact CB-CB 3.79Å; C492-C503 WeakPolarHBondContact CB-SG 3.36Å; C492-C503 WeakPolarHBondContact SG-CA 3.05Å; C492-C503 WeakPolarHBondContact SG-CB 3.44Å; C492-C503 CovalentContact SG-SG 2.03Å; C492-C503 PolarHBondContact SG-SG 2.89Å; Q496-C503 HydrophobicContact CB-CB 4.25Å; S497-C503 WeakPolarHBondContact O-CA 3.02Å
504C94.8Very high79.7Confident4 Ų478 Ų783%0.02742%0.42CS..EExtended strand (participates in β ladder)trans-114.4135.9178.7-67.50000110C476 Q496 S497 I499 V502 D506C476-C504 HydrophobicContact CB-CB 3.9Å; C476-C504 WeakPolarHBondContact CB-SG 3.02Å; C476-C504 VanDerWaalsContact SG-CA 3.53Å; C476-C504 WeakPolarHBondContact SG-CB 3.25Å; C476-C504 CovalentContact SG-SG 2.04Å; C476-C504 PolarHBondContact SG-SG 3.34Å; Q496-C504 CarbonylContact C-O 3.43Å; Q496-C504 WeakPolarHBondContact CA-O 3.13Å; Q496-C504 WeakPolarHBondContact CB-O 3.24Å; S497-C504 PolarHBondContact N-O 3.42Å; S497-C504 PolarHBondContact O-N 2.94Å; I499-C504 HydrophobicContact CD1-CB 4.24Å; V502-C504 PolarHBondContact O-N 3.49Å; C504-D506 PolarHBondContact O-N 3.17Å
505S92.1Very high78Confident51 Ų5175.2 Ų75.236%0.35741%0.408SS..EExtended strand (participates in β ladder)trans-64.5122.5177.3-62.20000112L507S505-L507 PolarHBondContact O-N 3.12Å
506D79.8Confident76.2Confident49 Ų4982.1 Ų82.126%0.26243%0.425SS..THydrogen-bonded Turntrans-67-20.2-176.5-79.5-33.4000113.9G495 S497 C504 L508 M509 R510G495-D506 WeakPolarHBondContact O-CB 3Å; G495-D506 PolarHBondContact O-N 3.31Å; S497-D506 WeakPolarHBondContact CB-OD1 3.39Å; S497-D506 PolarHBondContact OG-OD1 2.92Å; C504-D506 PolarHBondContact O-N 3.17Å; D506-L508 PolarHBondContact O-N 2.87Å; D506-M509 PolarHBondContact O-N 3.16Å; D506-R510 PolarHBondContact O-N 2.01Å
507L67.7Low73.7Confident139 Ų13983.2 Ų83.273%0.72845%0.446SS*.THydrogen-bonded Turntrans-56.4-28.4-174.2-93.6153.9000113.6S505 L511S505-L507 PolarHBondContact O-N 3.12Å; L507-L511 WeakPolarHBondContact O-CD1 3.38Å
508L61.9Low71.9Confident87 Ų8787.9 Ų87.946%0.45548%0.475SS..THydrogen-bonded Turntrans-92-26.4175.7-106.7110000114.4T480 D506T480-L508 HydrophobicContact CG2-CD1 4.42Å; D506-L508 PolarHBondContact O-N 2.87Å
509M59.6Low69.6Low84 Ų8498.2 Ų98.241%0.41451%0.511SS..Hα-helixtrans-76.7-33.3-177.3-72.3-74.1-98.100111.7P477 I499 D506 T513P477-M509 HydrophobicContact CG-CE 3.98Å; P477-M509 HydrophobicContact CG-SD 4.38Å; I499-M509 HydrophobicContact CD1-CE 3.68Å; D506-M509 PolarHBondContact O-N 3.16Å; M509-T513 PolarHBondContact O-OG1 3.05Å
510R60Low67.6Low194 Ų194103.8 Ų103.873%0.73254%0.54SS*.Hα-helixtrans-71.8-28.1174.9-85.1-175.8164.7178.5-2.5114.3D506 T513 T514D506-R510 PolarHBondContact O-N 2.01Å; R510-T513 PolarHBondContact O-OG1 3.32Å; R510-T514 PolarHBondContact O-N 2.88Å; R510-T514 PolarHBondContact O-OG1 3.15Å
511L59.9Low65.7Low119 Ų119104.1 Ų104.162%0.62355%0.547SS*.Hα-helixtrans-75.4-29.7179.4-78.7165.8000113L507L507-L511 WeakPolarHBondContact O-CD1 3.38Å
512K56.7Low63.6Low154 Ų154108 Ų10867%0.6757%0.567SS**Hα-helixtrans-80-25176.2-77.5-175.3175.9-179.80113.7
513T56.2Low61.6Low107 Ų107110.9 Ų110.966%0.65660%0.597SS**Hα-helixtrans-83.8-15.3176.432.20000113.6M509 R510M509-T513 PolarHBondContact O-OG1 3.05Å; R510-T513 PolarHBondContact O-OG1 3.32Å
514T56.3Low59.4Low110 Ų110122.4 Ų122.468%0.67564%0.641SS**Hα-helixtrans-95.6-13.3174.734.40000114.4R510R510-T514 PolarHBondContact O-N 2.88Å; R510-T514 PolarHBondContact O-OG1 3.15Å
515A55.6Low57.5Low76 Ų76134.2 Ų134.263%0.62869%0.685SS**SBendtrans-86.6-12.3179.300000114.9
516F53.4Low55.6Low193 Ų193136 Ų13685%0.84670%0.703SS**SBendtrans-124.565.1169.2-81.9-88.4000109.4
517G42.2Very low54.4Low58 Ų58144.7 Ų144.760%0.59873%0.732SS**  trans-62.4129.3172.600000110.9R519G517-R519 PolarHBondContact O-N 3.1Å
518P56.3Low54Low122 Ų122144.8 Ų144.879%0.79273%0.733SS**  trans-64.5131.115328.7-28.2000106.8L520P518-L520 PolarHBondContact O-N 3.21Å
519R46Very low53.9Low242 Ų242146.4 Ų146.491%0.91375%0.747SS**  trans-36.1113.5176.2-76.5178.5169.9177.6-3.3111.3G517 N521G517-R519 PolarHBondContact O-N 3.1Å; R519-N521 PolarHBondContact O-N 2.84Å
520L50.5Low54Low159 Ų159153.9 Ų153.983%0.83279%0.788SS**  trans-57.2106.6159.7-80.9165.6000107.5P518 L522P518-L520 PolarHBondContact O-N 3.21Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 HydrophobicContact CB-CD1 4.43Å; L520-L522 PolarHBondContact O-N 3.11Å; L520-L522 VanDerWaalsContact O-N 3.13Å
521N49.6Very low53.7Low158 Ų158151.9 Ų151.985%0.84579%0.791SS**  trans-78.887.3166.1-139.3-26000106.2R519 G523R519-N521 PolarHBondContact O-N 2.84Å; N521-G523 PolarHBondContact O-N 3.09Å
522L49.7Very low53.4Low159 Ų159153.6 Ų153.683%0.83280%0.8SS**  trans-69.477.4163.7-102.7112.8000108.1L520 R524L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 HydrophobicContact CB-CD1 4.43Å; L520-L522 PolarHBondContact O-N 3.11Å; L520-L522 VanDerWaalsContact O-N 3.13Å; L522-R524 PolarHBondContact O-N 3.44Å
523G50.7Low53.2Low63 Ų63153.6 Ų153.665%0.64981%0.807SS**  trans-81.6106.2168.800000110N521 R525N521-G523 PolarHBondContact O-N 3.09Å; G523-R525 PolarHBondContact O-N 3.11Å
524R49.6Very low53Low243 Ų243156.4 Ų156.492%0.91782%0.816SS**  trans-21.4127158.2-70.4170.4177.7172.3-1.5114.1L522L522-R524 PolarHBondContact O-N 3.44Å
525R53.8Low52.8Low252 Ų252159.3 Ų159.395%0.95183%0.825SS**  -162.6108.3127-111.4172.1-168.1178.83.3110.8G523G523-R525 PolarHBondContact O-N 3.11Å
526A52.2Low52.7Low89 Ų89164.8 Ų164.874%0.73684%0.838SS**  trans-84.5153.8160.400000109.4
527R55Low52.6Low231 Ų231162.8 Ų162.887%0.87284%0.837SS**  trans72.3109159-64.7-177.7-170.8177.11.8119
528N58.3Low53.4Low140 Ų140170.8 Ų170.875%0.74986%0.856SS**  -177.6116.8103.6-92.3-1.6000106
529T61.6Low53.2Low122 Ų122174.9 Ų174.975%0.74886%0.861SS**  38.58989.156.30000112.8
530D61.2Low53.8Low241 Ų241168.8 Ų168.8100%1.28986%0.856SS**  -149.70106.1-90.1-32.6000109.6

Retrieved 530 of 530 residues in 425.6 ms (Link to these results)