A0A068BIS1_MOUSE Loading...

Tapasin

Involved in the association of MHC class I with transporter associated with antigen processing (TAP) and in the assembly of MHC class I with peptide (peptide loading).

AlphaFold DB , UniProt , Accession A0A068BIS1, Species MOUSE (Mus musculus, Mouse), Gene Tapbp, Length 466 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
1M45.9Very low43.8Very low237 Ų237125.9 Ų125.9100%1.16770%0.698SS**  064.30-65.2163.766.200110.9
2K48.2Very low43.3Very low195 Ų195126.4 Ų126.485%0.84870%0.698SS**  trans-141.58-175.6-93.4-179.6179.3176.90117
3P44.3Very low42.8Very low98 Ų98121.6 Ų121.664%0.63670%0.695SS**SBendtrans-95.7-15.7171.136-30.9000113.4
4L44.2Very low42.5Very low137 Ų137123.3 Ų123.372%0.71770%0.699SS**Hα-helixtrans-78.5-28.2-173.2-141.584.1000113.6V8L4-V8 WeakPolarHBondContact O-CG2 3.37Å
5L42.8Very low42.5Very low151 Ų151120.2 Ų120.279%0.79170%0.695SS**Hα-helixtrans-75.5-27.4-179.4-114.993.8000113.3A9L5-A9 PolarHBondContact O-N 3.26Å
6L42.7Very low42.3Very low132 Ų132120.1 Ų120.169%0.69170%0.697SS**Hα-helixtrans-75.3-32.5179.2-119.397.3000112.1A9 V10L6-A9 PolarHBondContact O-N 3.11Å; L6-V10 WeakPolarHBondContact O-CG2 3.37Å; L6-V10 PolarHBondContact O-N 2.94Å
7L42.7Very low42Very low127 Ų127120.9 Ų120.967%0.66570%0.704SS**Hα-helixtrans-70-32.2176.6-95.9145.8000112.4A11L7-A11 WeakPolarHBondContact O-CB 3.32Å; L7-A11 PolarHBondContact O-N 3.45Å
8V44.6Very low41.6Very low81 Ų81120.6 Ų120.649%0.49170%0.703SS.*Hα-helixtrans-72-34.1175.2178.20000111.3L4 A11 L12L4-V8 WeakPolarHBondContact O-CG2 3.37Å; V8-A11 PolarHBondContact O-N 3.22Å; V8-L12 HydrophobicContact CG1-CD1 3.5Å; V8-L12 VanDerWaalsContact CG1-CD1 3.5Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 WeakPolarHBondContact O-CD1 3.23Å; V8-L12 PolarHBondContact O-N 3.37Å
9A42.4Very low41.3Very low68 Ų68118.5 Ų118.556%0.56270%0.697SS**Hα-helixtrans-69.8-34.4175.900000113.1L5 L6 G13L5-A9 PolarHBondContact O-N 3.26Å; L6-A9 PolarHBondContact O-N 3.11Å; A9-G13 PolarHBondContact O-N 3.45Å; A9-G13 VanDerWaalsContact O-N 3.15Å
10V43.7Very low41.2Very low91 Ų91118.8 Ų118.855%0.55270%0.699SS**Hα-helixtrans-75.2-34.4175178.50000111.3L6 G13 L14L6-V10 WeakPolarHBondContact O-CG2 3.37Å; L6-V10 PolarHBondContact O-N 2.94Å; V10-G13 PolarHBondContact O-N 3.28Å; V10-L14 HydrophobicContact CG1-CD1 4.25Å
11A40.2Very low41.5Very low68 Ų68118.8 Ų118.856%0.56270%0.7SS**Hα-helixtrans-72.3-32.8176.200000113.6L7 V8L7-A11 WeakPolarHBondContact O-CB 3.32Å; L7-A11 PolarHBondContact O-N 3.45Å; V8-A11 PolarHBondContact O-N 3.22Å
12L38.6Very low41.6Very low132 Ų132109.3 Ų109.369%0.69166%0.657SS**Hα-helixtrans-82.7-15.7173.8-90.5114.8000114.1V8V8-L12 HydrophobicContact CG1-CD1 3.5Å; V8-L12 VanDerWaalsContact CG1-CD1 3.5Å; V8-L12 WeakPolarHBondContact O-CB 3.48Å; V8-L12 WeakPolarHBondContact O-CD1 3.23Å; V8-L12 PolarHBondContact O-N 3.37Å
13G36.4Very low42.4Very low64 Ų64102.6 Ų102.666%0.6664%0.638SS**SBendtrans-84.1-7.8177.200000115.2A9 V10A9-G13 PolarHBondContact O-N 3.45Å; A9-G13 VanDerWaalsContact O-N 3.15Å; V10-G13 PolarHBondContact O-N 3.28Å
14L39Very low44.1Very low145 Ų14598.6 Ų98.676%0.75961%0.614SS**SBendtrans-105.63.3-176.8-89.7152.4000113.9V10V10-L14 HydrophobicContact CG1-CD1 4.25Å
15A41.5Very low46.1Very low77 Ų7793.5 Ų93.564%0.63659%0.59SS**SBendtrans-121.633.7-172.700000114.5
16T39.8Very low48.4Very low118 Ų11891.5 Ų91.572%0.72458%0.576SS**  trans-153.154.9159.157.50000111.5
17V37.4Very low50.7Low135 Ų13586.6 Ų86.682%0.81856%0.555SS**  trans-95.574.8137.1-171.10000104.1S19V17-S19 PolarHBondContact O-N 2.89Å
18V35.4Very low53.2Low114 Ų11480.9 Ų80.969%0.69153%0.525SS*.  trans-58.895.4147.8176.40000101.9V20V18-V20 PolarHBondContact O-N 3.46Å
19S34.9Very low55.6Low82 Ų8281.6 Ų81.657%0.57352%0.523SS*.  trans-44.4105.6155.141.10000103.2V17 V21V17-S19 PolarHBondContact O-N 2.89Å; S19-V21 PolarHBondContact O-N 2.82Å
20V39.9Very low58.2Low124 Ų12478.5 Ų78.575%0.75250%0.497SS*.  trans-55.697.7166.8174.80000101.6V18 S22V18-V20 PolarHBondContact O-N 3.46Å; V20-S22 PolarHBondContact O-N 3.37Å
21V47.6Very low60.7Low119 Ų11980.9 Ų80.972%0.72150%0.496SS*.  trans-54.7103.7167.6172.30000100.5S19 A23S19-V21 PolarHBondContact O-N 2.82Å; V21-A23 PolarHBondContact O-N 3.49Å
22S47.9Very low63.3Low37 Ų3778.1 Ų78.126%0.25947%0.472SS..  trans-60.989.8-176.3174.60000104.8V20 G24 Y85 A87V20-S22 PolarHBondContact O-N 3.37Å; S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 2.83Å; S22-Y85 PolarHBondContact OG-O 2.92Å; S22-Y85 VanDerWaalsContact OG-O 3.08Å; S22-A87 PolarHBondContact OG-N 2.88Å
23A65.4Low65.9Low55 Ų5572.5 Ų72.546%0.45544%0.443SS..  trans-72.3103177.500000102.1V21 R51V21-A23 PolarHBondContact O-N 3.49Å; A23-R51 VanDerWaalsContact CB-NH2 3.35Å; A23-R51 PolarHBondContact O-NH2 3.34Å
24G78.2Confident68.4Low13 Ų1371 Ų7113%0.13442%0.419CS..  trans-60.7-146.6-171.400000114S22 E26 R51 F82 Y85S22-G24 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 2.83Å; G24-E26 PolarHBondContact O-N 3.1Å; G24-R51 PolarHBondContact O-NH2 3.48Å; G24-F82 WeakPolarHBondContact CA-O 3.33Å; G24-Y85 WeakPolarHBondContact CA-O 3.45Å
25P87.5Confident70.3Confident30 Ų3070.2 Ų70.220%0.19542%0.415CS..  trans-62.1145.6176.523-30.3000111.9A27 I28 L50 R51 F82P25-A27 WeakPolarHBondContact CB-O 3.39Å; P25-I28 HydrophobicContact CG-CG1 4.47Å; P25-L50 HydrophobicContact CG-CD1 4.14Å; P25-R51 PolarHBondContact O-NE 2.94Å; P25-F82 HydrophobicContact CG-CB 4.25Å; P25-F82 HydrophobicContact CG-CD1 3.64Å; P25-F82 HydrophobicContact CG-CG 4.3Å
26E89.9Confident71.7Confident109 Ų10969.7 Ų69.751%0.50941%0.411SS..SBendtrans-82.4-35.2169-68.8-168162.700111.6G24 L50 R51G24-E26 PolarHBondContact O-N 3.1Å; E26-L50 WeakPolarHBondContact O-CB 3.43Å; E26-L50 PolarHBondContact O-N 3.46Å; E26-R51 HydrophobicContact CB-CG 4.2Å; E26-R51 HydrophobicContact CG-CG 4.12Å; E26-R51 PolarHBondContact O-N 2.94Å; E26-R51 IonicContact OE1-NH1 3.68Å
27A92.3Very high72.8Confident30 Ų3066.2 Ų66.225%0.24840%0.399CS..EExtended strand (participates in β ladder)trans-140.6159.4174.800000110.4P25 T47 L48 L49P25-A27 WeakPolarHBondContact CB-O 3.39Å; A27-T47 HydrophobicContact CB-CG2 3.84Å; A27-L48 CarbonylContact C-O 3.58Å; A27-L48 WeakPolarHBondContact CA-O 3.39Å; A27-L49 HydrophobicContact CB-CD1 4.24Å
28I94.3Very high74.2Confident6 Ų664.3 Ų64.33%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-122.3130176.2-53.4161.8000108.4P25 T47 L48 L50 F82 P92 C94P25-I28 HydrophobicContact CG-CG1 4.47Å; I28-T47 WeakPolarHBondContact O-CA 3.31Å; I28-L48 HydrophobicContact CB-CB 4.49Å; I28-L48 PolarHBondContact N-O 2.99Å; I28-L48 PolarHBondContact O-N 3.31Å; I28-L50 HydrophobicContact CD1-CD1 3.83Å; I28-L50 HydrophobicContact CD1-CD2 3.92Å; I28-L50 HydrophobicContact CD1-CG 4.19Å; I28-L50 HydrophobicContact CG1-CD1 3.88Å; I28-L50 HydrophobicContact CG1-CD2 4.49Å; I28-L50 HydrophobicContact CG1-CG 4.29Å; I28-F82 HydrophobicContact CD1-CD1 3.75Å; I28-F82 HydrophobicContact CD1-CD2 3.93Å; I28-F82 HydrophobicContact CD1-CE1 3.2Å; I28-F82 HydrophobicContact CD1-CE2 3.43Å; I28-F82 VanDerWaalsContact CD1-CE2 3.43Å; I28-F82 HydrophobicContact CD1-CG 4.1Å; I28-F82 HydrophobicContact CD1-CZ 3.06Å; I28-F82 HydrophobicContact CG1-CD1 4.29Å; I28-F82 HydrophobicContact CG1-CE1 3.96Å; I28-F82 HydrophobicContact CG1-CZ 4.27Å; I28-P92 HydrophobicContact CG2-CG 4.39Å; I28-C94 HydrophobicContact CG2-CB 3.73Å
29E95.3Very high75.9Confident96 Ų9662.5 Ų62.545%0.44941%0.411SS..EExtended strand (participates in β ladder)trans-80.7128.8169.8-56.1-54.9141.100109.9T47 R60 C94E29-T47 PolarHBondContact OE2-OG1 3.45Å; E29-R60 IonicContact OE1-CZ 3.47Å; E29-R60 IonicContact OE1-NH1 3.01Å; E29-R60 PolarHBondContact OE1-NH1 2.81Å; E29-R60 IonicContact OE1-NH2 2.98Å; E29-R60 PolarHBondContact OE1-NH2 2.85Å; E29-R60 IonicContact OE2-CZ 3.78Å; E29-R60 IonicContact OE2-NH1 3.38Å; E29-R60 IonicContact OE2-NH2 2.74Å; E29-R60 PolarHBondContact OE2-NH2 3.28Å; E29-C94 WeakPolarHBondContact O-CB 3.26Å
30C96.4Very high77.8Confident3 Ų360 Ų602%0.0240%0.398CS..EExtended strand (participates in β ladder)trans-128.2154.5-175.7-60.20000110.6A46 C94 M96C30-A46 HydrophobicContact CB-CB 4.38Å; C30-A46 PolarHBondContact N-O 3Å; C30-A46 PolarHBondContact O-N 3.48Å; C30-C94 WeakPolarHBondContact CA-O 3.36Å; C30-C94 HydrophobicContact CB-CB 3.73Å; C30-C94 WeakPolarHBondContact CB-SG 3.44Å; C30-C94 WeakPolarHBondContact SG-CB 3.41Å; C30-C94 CovalentContact SG-SG 2.03Å; C30-C94 PolarHBondContact SG-SG 3.47Å; C30-M96 HydrophobicContact CB-CG 3.74Å; C30-M96 HydrophobicContact CB-SD 3.61Å
31W96.1Very high80Confident142 Ų14260.4 Ų60.454%0.53840%0.395SS..EExtended strand (participates in β ladder)trans-100.5116169.6-67.4101.4000109.6K43 C94 E95 M96W31-K43 HydrophobicContact CE3-CB 4.01Å; W31-C94 PolarHBondContact N-O 3.43Å; W31-E95 WeakPolarHBondContact O-CA 3.42Å; W31-M96 PolarHBondContact O-N 3.25Å
32F95.3Very high81.9Confident9 Ų956.5 Ų56.54%0.03937%0.373CS..EExtended strand (participates in β ladder)trans-80.3120.1169.5-175.5-111.9000109.8E34 K43 K44 A46 L67 M96 R98 L127F32-E34 HydrophobicContact CD1-CG 3.91Å; F32-E34 HydrophobicContact CE1-CG 3.34Å; F32-E34 WeakPolarHBondContact CE1-OE1 3.36Å; F32-E34 HydrophobicContact CZ-CG 3.86Å; F32-K43 CarbonylContact O-C 3.52Å; F32-K43 WeakPolarHBondContact O-CA 3.23Å; F32-K44 HydrophobicContact CB-CB 4.44Å; F32-K44 PolarHBondContact N-O 3.3Å; F32-K44 PolarHBondContact O-N 3.34Å; F32-A46 HydrophobicContact CB-CB 4.05Å; F32-L67 HydrophobicContact CB-CD1 4.4Å; F32-L67 HydrophobicContact CB-CD2 4.07Å; F32-L67 HydrophobicContact CD1-CD1 4.36Å; F32-L67 HydrophobicContact CD1-CD2 3.77Å; F32-L67 HydrophobicContact CD2-CD2 4.21Å; F32-L67 HydrophobicContact CE1-CD2 4.18Å; F32-L67 HydrophobicContact CG-CD2 3.76Å; F32-M96 CarbonylContact C-O 3.59Å; F32-M96 WeakPolarHBondContact CA-O 3.22Å; F32-M96 HydrophobicContact CB-CB 4.49Å; F32-M96 HydrophobicContact CD2-CB 3.93Å; F32-R98 HydrophobicContact CE2-CG 4.47Å; F32-R98 HydrophobicContact CZ-CG 4.07Å; F32-L127 HydrophobicContact CE2-CD2 3.79Å
33V93.9Very high84Confident15 Ų1561 Ų619%0.09139%0.388CS..EExtended strand (participates in β ladder)trans-112126.7-171.6-175.30000109.7L41 S42 K43 E95 M96V33-L41 HydrophobicContact CG1-CD2 3.37Å; V33-S42 WeakPolarHBondContact CA-O 3.43Å; V33-K43 HydrophobicContact CG2-CG 4.34Å; V33-E95 HydrophobicContact CB-CG 4.43Å; V33-E95 HydrophobicContact CG2-CG 3.57Å; V33-M96 PolarHBondContact N-O 2.83Å
34E88.1Confident85.4Confident32 Ų3262.8 Ų62.815%0.1539%0.386CS..EExtended strand (participates in β ladder)trans-131.4145.2175.7-61.3178116.500110.1F32 A36 S42 K44 R98F32-E34 HydrophobicContact CD1-CG 3.91Å; F32-E34 HydrophobicContact CE1-CG 3.34Å; F32-E34 WeakPolarHBondContact CE1-OE1 3.36Å; F32-E34 HydrophobicContact CZ-CG 3.86Å; E34-A36 PolarHBondContact O-N 3.45Å; E34-S42 PolarHBondContact N-O 3.27Å; E34-S42 VanDerWaalsContact N-O 3.1Å; E34-S42 PolarHBondContact O-N 2.91Å; E34-S42 PolarHBondContact O-OG 2.87Å; E34-S42 VanDerWaalsContact O-OG 3.05Å; E34-K44 IonicContact OE2-NZ 3.92Å; E34-K44 PolarHBondContact OE2-NZ 2.88Å; E34-R98 IonicContact OE1-CZ 3.34Å; E34-R98 IonicContact OE1-NH1 2.78Å; E34-R98 PolarHBondContact OE1-NH1 2.91Å; E34-R98 IonicContact OE1-NH2 2.95Å; E34-R98 PolarHBondContact OE1-NH2 2.99Å
35D78.6Confident86.2Confident128 Ų12865.1 Ų65.168%0.68440%0.398SS*.EExtended strand (participates in β ladder)trans-64.4119.8168.2-166.2-17.9000108.7G37D35-G37 PolarHBondContact O-N 2.87Å; D35-G37 PolarHBondContact OD1-N 3.29Å
36A72.6Confident86.5Confident66 Ų6663.7 Ų63.755%0.54539%0.389SS..  trans-82.6-1.7-179.800000112.2E34 G40E34-A36 PolarHBondContact O-N 3.45Å; A36-G40 WeakPolarHBondContact CB-O 3.48Å; A36-G40 PolarHBondContact N-O 2.98Å
37G62.6Low86.8Confident46 Ų4658.5 Ų58.547%0.47437%0.365SS..SBendtrans77.3157.2-167.500000111.6D35 G39 G40D35-G37 PolarHBondContact O-N 2.87Å; D35-G37 PolarHBondContact OD1-N 3.29Å; G37-G39 PolarHBondContact O-N 2.87Å; G37-G40 PolarHBondContact O-N 3.34Å
38G66.3Low86.9Confident95 Ų9557.1 Ų57.198%0.97935%0.354SS*.THydrogen-bonded Turntrans68.416.5179.200000115.2
39G70.9Confident86.9Confident76 Ų7657 Ų5778%0.78435%0.353SS*.THydrogen-bonded Turntrans83.58-179.500000114.8G37G37-G39 PolarHBondContact O-N 2.87Å
40G75.1Confident86.9Confident30 Ų3053.1 Ų53.131%0.30934%0.335SS..PPolyproline II helixtrans-92.1145.1175.300000112.9A36 G37A36-G40 WeakPolarHBondContact CB-O 3.48Å; A36-G40 PolarHBondContact N-O 2.98Å; G37-G40 PolarHBondContact O-N 3.34Å
41L85Confident86.5Confident132 Ų13256.7 Ų56.769%0.69135%0.348SS*.EExtended strand (participates in β ladder)trans-103.2126.3172.2-77.5138.6000109.6V33V33-L41 HydrophobicContact CG1-CD2 3.37Å
42S88.8Confident85.9Confident37 Ų3753.3 Ų53.326%0.25934%0.338SS..EExtended strand (participates in β ladder)trans-95.4142.2171.268.20000110.4V33 E34V33-S42 WeakPolarHBondContact CA-O 3.43Å; E34-S42 PolarHBondContact N-O 3.27Å; E34-S42 VanDerWaalsContact N-O 3.1Å; E34-S42 PolarHBondContact O-N 2.91Å; E34-S42 PolarHBondContact O-OG 2.87Å; E34-S42 VanDerWaalsContact O-OG 3.05Å
43K91.9Very high85.1Confident131 Ų13154.7 Ų54.757%0.5736%0.355SS*.EExtended strand (participates in β ladder)trans-124.8129.6178.5-60-171177.3-1730109.8W31 F32 V33W31-K43 HydrophobicContact CE3-CB 4.01Å; F32-K43 CarbonylContact O-C 3.52Å; F32-K43 WeakPolarHBondContact O-CA 3.23Å; V33-K43 HydrophobicContact CG2-CG 4.34Å
44K93.8Very high84.2Confident92 Ų9260.9 Ų60.940%0.440%0.396SS..EExtended strand (participates in β ladder)trans-121.9143.2175.1-65.8171.3-175.6159.40109.5F32 E34 L67F32-K44 HydrophobicContact CB-CB 4.44Å; F32-K44 PolarHBondContact N-O 3.3Å; F32-K44 PolarHBondContact O-N 3.34Å; E34-K44 IonicContact OE2-NZ 3.92Å; E34-K44 PolarHBondContact OE2-NZ 2.88Å; K44-L67 HydrophobicContact CB-CD1 3.79Å; K44-L67 HydrophobicContact CD-CD1 4.23Å
45P95.1Very high83.7Confident62 Ų6271 Ų7140%0.40343%0.432SS..EExtended strand (participates in β ladder)trans-68.3137.3174.930.6-34.8000109.9L63P45-L63 HydrophobicContact CB-CD2 3.69Å; P45-L63 HydrophobicContact CG-CD2 3.93Å
46A95.1Very high83.7Confident0 Ų065.7 Ų65.70%041%0.408CS..EExtended strand (participates in β ladder)trans-140.1157.5176.400000109.4C30 F32 L67 M96C30-A46 HydrophobicContact CB-CB 4.38Å; C30-A46 PolarHBondContact N-O 3Å; C30-A46 PolarHBondContact O-N 3.48Å; F32-A46 HydrophobicContact CB-CB 4.05Å; A46-L67 CarbonylContact C-O 3.47Å; A46-L67 VanDerWaalsContact CA-O 3.28Å; A46-L67 WeakPolarHBondContact CA-O 3.36Å; A46-L67 HydrophobicContact CB-CB 3.91Å; A46-L67 WeakPolarHBondContact CB-O 3.38Å; A46-M96 HydrophobicContact CB-SD 3.92Å
47T95.4Very high84.2Confident0 Ų063.2 Ų63.20%039%0.387CS..EExtended strand (participates in β ladder)trans-138.2132.8-179.5-560000111A27 I28 E29 L63 L67 Y68 F69A27-T47 HydrophobicContact CB-CG2 3.84Å; I28-T47 WeakPolarHBondContact O-CA 3.31Å; E29-T47 PolarHBondContact OE2-OG1 3.45Å; T47-L63 WeakPolarHBondContact OG1-CD1 3.2Å; T47-L67 PolarHBondContact N-O 3.36Å; T47-Y68 HydrophobicContact CG2-CD2 4.19Å; T47-Y68 HydrophobicContact CG2-CE2 4.1Å; T47-F69 PolarHBondContact O-N 2.97Å
48L95.3Very high85.4Confident2 Ų263.9 Ų63.91%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-98.3112.1169.8-65.9170.1000109.1A27 I28 L50 F69 V71 M96 V129 L142A27-L48 CarbonylContact C-O 3.58Å; A27-L48 WeakPolarHBondContact CA-O 3.39Å; I28-L48 HydrophobicContact CB-CB 4.49Å; I28-L48 PolarHBondContact N-O 2.99Å; I28-L48 PolarHBondContact O-N 3.31Å; L48-L50 HydrophobicContact CB-CD2 4.47Å; L48-F69 HydrophobicContact CD2-CB 3.98Å; L48-F69 HydrophobicContact CD2-CD2 4.41Å; L48-V71 HydrophobicContact CB-CG2 4.11Å; L48-V71 HydrophobicContact CD2-CG2 4Å; L48-M96 HydrophobicContact CD1-SD 4.41Å; L48-M96 HydrophobicContact CD2-CE 4.04Å; L48-M96 HydrophobicContact CD2-SD 4.2Å; L48-M96 HydrophobicContact CG-SD 4.1Å; L48-V129 HydrophobicContact CD1-CG1 3.57Å; L48-V129 HydrophobicContact CD1-CG2 4.15Å; L48-L142 HydrophobicContact CD2-CD2 3.98Å
49L94.2Very high86.4Confident3 Ų364 Ų642%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-83.8113.3171.3-177.570.5000109.5A27 R51 H52 P57 Y68 F69 V71 I155A27-L49 HydrophobicContact CB-CD1 4.24Å; L49-R51 WeakPolarHBondContact CD1-O 3.27Å; L49-H52 HydrophobicContact CD1-CB 4.48Å; L49-H52 HydrophobicContact CD2-CB 4.29Å; L49-P57 HydrophobicContact CD2-CB 3.51Å; L49-Y68 HydrophobicContact CB-CE2 3.89Å; L49-F69 WeakPolarHBondContact CB-O 3.29Å; L49-F69 PolarHBondContact N-O 3.23Å; L49-V71 WeakPolarHBondContact O-CB 3.36Å; L49-V71 PolarHBondContact O-N 2.91Å; L49-I155 HydrophobicContact CB-CD1 4.28Å; L49-I155 HydrophobicContact CD2-CD1 3.65Å
50L93.6Very high87.3Confident15 Ų1563.3 Ų63.38%0.07934%0.34CS..  trans-90.1-34.3-177.1-52.1178.3000112.2P25 E26 I28 L48 V71 L79 F82P25-L50 HydrophobicContact CG-CD1 4.14Å; E26-L50 WeakPolarHBondContact O-CB 3.43Å; E26-L50 PolarHBondContact O-N 3.46Å; I28-L50 HydrophobicContact CD1-CD1 3.83Å; I28-L50 HydrophobicContact CD1-CD2 3.92Å; I28-L50 HydrophobicContact CD1-CG 4.19Å; I28-L50 HydrophobicContact CG1-CD1 3.88Å; I28-L50 HydrophobicContact CG1-CD2 4.49Å; I28-L50 HydrophobicContact CG1-CG 4.29Å; L48-L50 HydrophobicContact CB-CD2 4.47Å; L50-V71 HydrophobicContact CD2-CG2 4.13Å; L50-L79 HydrophobicContact CB-CD2 3.84Å; L50-L79 HydrophobicContact CD2-CD2 4.19Å; L50-L79 WeakPolarHBondContact O-CD2 3.49Å; L50-F82 HydrophobicContact CD1-CB 3.47Å; L50-F82 VanDerWaalsContact CD1-CB 3.47Å; L50-F82 HydrophobicContact CD1-CD1 4.02Å; L50-F82 HydrophobicContact CD1-CD2 3.75Å; L50-F82 HydrophobicContact CD1-CG 3.45Å; L50-F82 VanDerWaalsContact CD1-CG 3.45Å; L50-F82 HydrophobicContact CD2-CD2 4.13Å
51R88.7Confident87.8Confident77 Ų7768 Ų6829%0.29137%0.365SS..  trans-158.6150.2-176.857.5-165.4-173.998.20.5109.4A23 G24 P25 E26 L49A23-R51 VanDerWaalsContact CB-NH2 3.35Å; A23-R51 PolarHBondContact O-NH2 3.34Å; G24-R51 PolarHBondContact O-NH2 3.48Å; P25-R51 PolarHBondContact O-NE 2.94Å; E26-R51 HydrophobicContact CB-CG 4.2Å; E26-R51 HydrophobicContact CG-CG 4.12Å; E26-R51 PolarHBondContact O-N 2.94Å; E26-R51 IonicContact OE1-NH1 3.68Å; L49-R51 WeakPolarHBondContact CD1-O 3.27Å
52H83.3Confident87.9Confident72 Ų7266.4 Ų66.433%0.33336%0.357SS..  trans-140.315217462.775.7000110.1L49 K70L49-H52 HydrophobicContact CD1-CB 4.48Å; L49-H52 HydrophobicContact CD2-CB 4.29Å; H52-K70 PolarHBondContact NE2-NZ 2.85Å
53G78.7Confident87.9Confident37 Ų3765.3 Ų65.338%0.38135%0.348SS..  trans-70.8-178174.800000113R55 G56G53-R55 PolarHBondContact O-N 3.3Å; G53-R55 VanDerWaalsContact O-N 3.09Å; G53-G56 PolarHBondContact O-N 2.94Å
54P75.8Confident87.6Confident146 Ų14663 Ų6395%0.94834%0.342SS*.THydrogen-bonded Turntrans-63.4-15.4178.325.7-34.5000113.6G56P54-G56 PolarHBondContact O-N 3.31Å
55R76.9Confident87Confident243 Ų24361.1 Ų61.192%0.91734%0.339SS*.THydrogen-bonded Turntrans-76.6-1174.8-65-176.7-174.1148.11.3113.8G53G53-R55 PolarHBondContact O-N 3.3Å; G53-R55 VanDerWaalsContact O-N 3.09Å
56G78.4Confident86.5Confident18 Ų1865 Ų6519%0.18635%0.35CS..  trans82.9-178.5-177.600000113.5G53 P54G53-G56 PolarHBondContact O-N 2.94Å; P54-G56 PolarHBondContact O-N 3.31Å
57P84.1Confident86.4Confident14 Ų1465.7 Ų65.79%0.09135%0.353CS..SBendtrans-63.5138179.227.4-35.2000111.5L49 V153 I155L49-P57 HydrophobicContact CD2-CB 3.51Å; P57-V153 HydrophobicContact CG-CB 4.29Å; P57-V153 WeakPolarHBondContact O-CG2 3.4Å; P57-I155 HydrophobicContact CB-CD1 4.01Å
58P87.5Confident86.2Confident60 Ų6065.9 Ų65.939%0.3935%0.354SS..PPolyproline II helixtrans-66.4140176.626.8-33.7000111.7Y68P58-Y68 WeakPolarHBondContact CD-OH 3.32Å; P58-Y68 WeakPolarHBondContact O-CE1 3.41Å; P58-Y68 PolarHBondContact O-OH 3.02Å; P58-Y68 VanDerWaalsContact O-OH 3.09Å
59P86.6Confident86.1Confident97 Ų9766.1 Ų66.163%0.6336%0.355SS*.PPolyproline II helixtrans-68.8137176.628.2-33.7000111.5V153P59-V153 HydrophobicContact CB-CG2 4.07Å
60R89.3Confident86.1Confident61 Ų6168.9 Ų68.923%0.2337%0.367CS..  trans-126.677.1178.4-66.7-63.3-66.9-96.6-5.1111.2E29 D62 L63 Y68E29-R60 IonicContact OE1-CZ 3.47Å; E29-R60 IonicContact OE1-NH1 3.01Å; E29-R60 PolarHBondContact OE1-NH1 2.81Å; E29-R60 IonicContact OE1-NH2 2.98Å; E29-R60 PolarHBondContact OE1-NH2 2.85Å; E29-R60 IonicContact OE2-CZ 3.78Å; E29-R60 IonicContact OE2-NH1 3.38Å; E29-R60 IonicContact OE2-NH2 2.74Å; E29-R60 PolarHBondContact OE2-NH2 3.28Å; R60-D62 VanDerWaalsContact C-OD1 3.31Å; R60-D62 VanDerWaalsContact CA-OD1 3.31Å; R60-D62 WeakPolarHBondContact CA-OD1 3.33Å; R60-D62 WeakPolarHBondContact CB-OD1 3.3Å; R60-D62 IonicContact CZ-OD2 3.86Å; R60-D62 IonicContact NE-OD1 3.83Å; R60-D62 PolarHBondContact NE-OD1 2.84Å; R60-D62 IonicContact NE-OD2 2.8Å; R60-D62 PolarHBondContact NE-OD2 3.37Å; R60-D62 IonicContact NH2-OD2 2.99Å; R60-D62 PolarHBondContact NH2-OD2 2.85Å; R60-D62 PolarHBondContact O-N 3.35Å; R60-L63 HydrophobicContact CB-CB 4.31Å; R60-L63 HydrophobicContact CB-CD1 3.75Å; R60-L63 HydrophobicContact CB-CG 4.12Å; R60-L63 HydrophobicContact CG-CD1 4.04Å; R60-L63 PolarHBondContact O-N 2.95Å; R60-Y68 HydrophobicContact CB-CD1 4.35Å; R60-Y68 HydrophobicContact CB-CE1 4.45Å; R60-Y68 HydrophobicContact CG-CD1 4.47Å; R60-Y68 HydrophobicContact CG-CE1 4.19Å; R60-Y68 HydrophobicContact CG-CE2 4.37Å
61P85.6Confident86.2Confident130 Ų13068.7 Ų68.784%0.84437%0.366SS*.THydrogen-bonded Turntrans-70-13.9178.831.2-35.7000112.9L63P61-L63 VanDerWaalsContact C-N 3.28Å
62D88.8Confident86.4Confident98 Ų9868.2 Ų68.252%0.52437%0.37SS..THydrogen-bonded Turntrans-73.5-15.9174.958-57.4000113.6R60R60-D62 VanDerWaalsContact C-OD1 3.31Å; R60-D62 VanDerWaalsContact CA-OD1 3.31Å; R60-D62 WeakPolarHBondContact CA-OD1 3.33Å; R60-D62 WeakPolarHBondContact CB-OD1 3.3Å; R60-D62 IonicContact CZ-OD2 3.86Å; R60-D62 IonicContact NE-OD1 3.83Å; R60-D62 PolarHBondContact NE-OD1 2.84Å; R60-D62 IonicContact NE-OD2 2.8Å; R60-D62 PolarHBondContact NE-OD2 3.37Å; R60-D62 IonicContact NH2-OD2 2.99Å; R60-D62 PolarHBondContact NH2-OD2 2.85Å; R60-D62 PolarHBondContact O-N 3.35Å
63L88Confident87Confident13 Ų1365.4 Ų65.47%0.06836%0.357CS..SBendtrans-111.9152.4-174.3-60.9175000112.1P45 T47 R60 P61 P65P45-L63 HydrophobicContact CB-CD2 3.69Å; P45-L63 HydrophobicContact CG-CD2 3.93Å; T47-L63 WeakPolarHBondContact OG1-CD1 3.2Å; R60-L63 HydrophobicContact CB-CB 4.31Å; R60-L63 HydrophobicContact CB-CD1 3.75Å; R60-L63 HydrophobicContact CB-CG 4.12Å; R60-L63 HydrophobicContact CG-CD1 4.04Å; R60-L63 PolarHBondContact O-N 2.95Å; P61-L63 VanDerWaalsContact C-N 3.28Å; L63-P65 WeakPolarHBondContact O-CD 3.48Å
64D85.1Confident87.7Confident83 Ų8366.7 Ų66.744%0.44436%0.359SS..  trans-63.3125.5159.6-173.6-25.3000108.2K66 L67 Y68D64-K66 PolarHBondContact O-N 2.79Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 WeakPolarHBondContact OD1-CB 3.38Å; D64-K66 PolarHBondContact OD1-N 3.49Å; D64-L67 HydrophobicContact CB-CB 4.32Å; D64-L67 HydrophobicContact CB-CD1 4.18Å; D64-L67 HydrophobicContact CB-CG 4.17Å; D64-L67 CarbonylContact O-C 3.6Å; D64-L67 WeakPolarHBondContact O-CA 3.48Å; D64-L67 PolarHBondContact O-N 3.32Å; D64-Y68 PolarHBondContact O-N 2.96Å
65P81.4Confident88.6Confident53 Ų5360.9 Ų60.934%0.34432%0.323SS..G310 helixtrans-58-21.7177.7-24.733.8000114.5L63 L67 Y68 V154 T156L63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-L67 PolarHBondContact O-N 2.88Å; P65-Y68 PolarHBondContact O-N 3.17Å; P65-V154 HydrophobicContact CB-CB 3.8Å; P65-V154 HydrophobicContact CB-CG1 3.39Å; P65-V154 HydrophobicContact CG-CB 4.22Å; P65-V154 HydrophobicContact CG-CG1 4.1Å; P65-T156 PolarHBondContact O-OG1 3.07Å; P65-T156 VanDerWaalsContact O-OG1 3.08Å
66K85.6Confident89.5Confident142 Ų14250.6 Ų50.662%0.61729%0.292SS*.G310 helixtrans-75.2-11.7172.6-63.8-175.8177.1-173.10113.6D64 F69D64-K66 PolarHBondContact O-N 2.79Å; D64-K66 VanDerWaalsContact O-N 3.07Å; D64-K66 WeakPolarHBondContact OD1-CB 3.38Å; D64-K66 PolarHBondContact OD1-N 3.49Å; K66-F69 WeakPolarHBondContact O-CE1 3.42Å; K66-F69 WeakPolarHBondContact O-CZ 3.48Å
67L91.1Very high90.3Very high15 Ų1550.6 Ų50.68%0.07929%0.288CS..G310 helixtrans-111.26.9176.3-62.1180000112.2F32 K44 A46 T47 D64 P65 F69F32-L67 HydrophobicContact CB-CD1 4.4Å; F32-L67 HydrophobicContact CB-CD2 4.07Å; F32-L67 HydrophobicContact CD1-CD1 4.36Å; F32-L67 HydrophobicContact CD1-CD2 3.77Å; F32-L67 HydrophobicContact CD2-CD2 4.21Å; F32-L67 HydrophobicContact CE1-CD2 4.18Å; F32-L67 HydrophobicContact CG-CD2 3.76Å; K44-L67 HydrophobicContact CB-CD1 3.79Å; K44-L67 HydrophobicContact CD-CD1 4.23Å; A46-L67 CarbonylContact C-O 3.47Å; A46-L67 VanDerWaalsContact CA-O 3.28Å; A46-L67 WeakPolarHBondContact CA-O 3.36Å; A46-L67 HydrophobicContact CB-CB 3.91Å; A46-L67 WeakPolarHBondContact CB-O 3.38Å; T47-L67 PolarHBondContact N-O 3.36Å; D64-L67 HydrophobicContact CB-CB 4.32Å; D64-L67 HydrophobicContact CB-CD1 4.18Å; D64-L67 HydrophobicContact CB-CG 4.17Å; D64-L67 CarbonylContact O-C 3.6Å; D64-L67 WeakPolarHBondContact O-CA 3.48Å; D64-L67 PolarHBondContact O-N 3.32Å; P65-L67 PolarHBondContact O-N 2.88Å; L67-F69 HydrophobicContact CD2-CE2 4.37Å
68Y92.9Very high90.8Very high4 Ų450 Ų502%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-104.8108.3169.2-175.1-151.2000109.5T47 L49 P58 R60 D64 P65 V153 I155 T156T47-Y68 HydrophobicContact CG2-CD2 4.19Å; T47-Y68 HydrophobicContact CG2-CE2 4.1Å; L49-Y68 HydrophobicContact CB-CE2 3.89Å; P58-Y68 WeakPolarHBondContact CD-OH 3.32Å; P58-Y68 WeakPolarHBondContact O-CE1 3.41Å; P58-Y68 PolarHBondContact O-OH 3.02Å; P58-Y68 VanDerWaalsContact O-OH 3.09Å; R60-Y68 HydrophobicContact CB-CD1 4.35Å; R60-Y68 HydrophobicContact CB-CE1 4.45Å; R60-Y68 HydrophobicContact CG-CD1 4.47Å; R60-Y68 HydrophobicContact CG-CE1 4.19Å; R60-Y68 HydrophobicContact CG-CE2 4.37Å; D64-Y68 PolarHBondContact O-N 2.96Å; P65-Y68 PolarHBondContact O-N 3.17Å; Y68-V153 HydrophobicContact CD1-CG1 4.46Å; Y68-V153 HydrophobicContact CE1-CG1 4.15Å; Y68-I155 HydrophobicContact CD1-CB 4.01Å; Y68-I155 HydrophobicContact CD1-CD1 3.85Å; Y68-I155 HydrophobicContact CD1-CG1 3.74Å; Y68-I155 HydrophobicContact CD2-CD1 4.2Å; Y68-I155 HydrophobicContact CD2-CG1 4.39Å; Y68-I155 HydrophobicContact CE1-CB 4.24Å; Y68-I155 HydrophobicContact CE1-CD1 3.52Å; Y68-I155 HydrophobicContact CE1-CG1 3.94Å; Y68-I155 HydrophobicContact CE2-CD1 3.9Å; Y68-I155 HydrophobicContact CG-CD1 4.18Å; Y68-I155 HydrophobicContact CG-CG1 3.98Å; Y68-I155 WeakPolarHBondContact O-CG1 3.39Å; Y68-T156 PolarHBondContact O-N 2.95Å
69F93.2Very high91.2Very high7 Ų748.6 Ų48.63%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-112.1128.7-170.9-61.8-78.1000112.2T47 L48 L49 K66 L67 M96 L127 P144 T156 A158T47-F69 PolarHBondContact O-N 2.97Å; L48-F69 HydrophobicContact CD2-CB 3.98Å; L48-F69 HydrophobicContact CD2-CD2 4.41Å; L49-F69 WeakPolarHBondContact CB-O 3.29Å; L49-F69 PolarHBondContact N-O 3.23Å; K66-F69 WeakPolarHBondContact O-CE1 3.42Å; K66-F69 WeakPolarHBondContact O-CZ 3.48Å; L67-F69 HydrophobicContact CD2-CE2 4.37Å; F69-M96 HydrophobicContact CD2-CE 3.58Å; F69-M96 HydrophobicContact CD2-SD 4.45Å; F69-M96 HydrophobicContact CE2-CE 3.44Å; F69-M96 VanDerWaalsContact CE2-CE 3.44Å; F69-M96 HydrophobicContact CE2-SD 4.49Å; F69-M96 HydrophobicContact CZ-CE 4.35Å; F69-L127 HydrophobicContact CD1-CD1 4.36Å; F69-L127 HydrophobicContact CE1-CD1 3.64Å; F69-L127 HydrophobicContact CE2-CD1 3.98Å; F69-L127 HydrophobicContact CZ-CD1 3.4Å; F69-P144 HydrophobicContact CD1-CB 4.47Å; F69-P144 HydrophobicContact CE1-CB 3.96Å; F69-T156 CarbonylContact C-O 3.53Å; F69-T156 WeakPolarHBondContact CA-O 3.37Å; F69-T156 HydrophobicContact CD1-CG2 3.98Å; F69-T156 HydrophobicContact CE1-CG2 3.94Å; F69-A158 HydrophobicContact CB-CB 4.25Å; F69-A158 HydrophobicContact CD1-CB 3.96Å; F69-A158 HydrophobicContact CG-CB 4.42Å
70K93.2Very high91.6Very high61 Ų6145.6 Ų45.627%0.26526%0.257SS..EExtended strand (participates in β ladder)trans-88.5117.4165.3177.2166.2160.8175.60109.1H52 D72 I155 T156 M157 A158H52-K70 PolarHBondContact NE2-NZ 2.85Å; K70-D72 PolarHBondContact O-N 3.01Å; K70-I155 HydrophobicContact CB-CD1 3.63Å; K70-I155 HydrophobicContact CB-CG1 3.98Å; K70-T156 PolarHBondContact N-O 2.98Å; K70-M157 HydrophobicContact CB-CE 4.31Å; K70-M157 HydrophobicContact CB-SD 3.52Å; K70-M157 VanDerWaalsContact CB-SD 3.52Å; K70-M157 HydrophobicContact CD-CE 4.23Å; K70-M157 HydrophobicContact CD-SD 3.41Å; K70-M157 WeakPolarHBondContact CD-SD 3.19Å; K70-M157 HydrophobicContact CG-CE 3.9Å; K70-M157 HydrophobicContact CG-SD 3.45Å; K70-M157 WeakPolarHBondContact CG-SD 3.49Å; K70-A158 PolarHBondContact O-N 3.2Å
71V95.1Very high91.8Very high11 Ų1143 Ų437%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-75.7122.3-1781770000109.8L48 L49 L50 D73 L78 L79 V160L48-V71 HydrophobicContact CB-CG2 4.11Å; L48-V71 HydrophobicContact CD2-CG2 4Å; L49-V71 WeakPolarHBondContact O-CB 3.36Å; L49-V71 PolarHBondContact O-N 2.91Å; L50-V71 HydrophobicContact CD2-CG2 4.13Å; V71-D73 HydrophobicContact CG1-CB 4.14Å; V71-L78 HydrophobicContact CG1-CD2 3.71Å; V71-L79 HydrophobicContact CG1-CD2 4.12Å; V71-L79 HydrophobicContact CG1-CG 4.5Å; V71-V160 HydrophobicContact CG1-CG2 3.86Å
72D94Very high92.2Very high67 Ų6737 Ų3736%0.35821%0.208SC..EExtended strand (participates in β ladder)trans-106.7114.2164.3173.443000107.6K70 P74 M157 A158 T159 V160K70-D72 PolarHBondContact O-N 3.01Å; D72-P74 WeakPolarHBondContact O-CD 3.37Å; D72-M157 HydrophobicContact CB-CE 3.74Å; D72-A158 PolarHBondContact N-O 3.37Å; D72-T159 CarbonylContact O-C 3.51Å; D72-T159 VanDerWaalsContact O-CA 3.29Å; D72-T159 WeakPolarHBondContact O-CA 3.49Å; D72-T159 WeakPolarHBondContact OD2-CG2 3.34Å; D72-T159 PolarHBondContact OD2-OG1 3.4Å; D72-V160 WeakPolarHBondContact O-CG2 2.94Å; D72-V160 PolarHBondContact O-N 3.22Å
73D95.4Very high92.3Very high13 Ų1340.3 Ų40.37%0.0721%0.214CC..  trans-122.984.8-173.3176.918.3000109.8V71 A75 G76 M77 L78 L79 V160V71-D73 HydrophobicContact CG1-CB 4.14Å; D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 2.78Å; D73-G76 VanDerWaalsContact CG-CA 3.45Å; D73-G76 VanDerWaalsContact CG-N 3.31Å; D73-G76 PolarHBondContact O-N 3.15Å; D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 WeakPolarHBondContact OD2-CA 3.49Å; D73-G76 PolarHBondContact OD2-N 3.36Å; D73-M77 PolarHBondContact OD2-N 3.35Å; D73-L78 WeakPolarHBondContact OD2-CA 3.49Å; D73-L78 WeakPolarHBondContact OD2-CB 3.48Å; D73-L78 PolarHBondContact OD2-N 2.97Å; D73-L79 HydrophobicContact CB-CD1 3.78Å; D73-L79 HydrophobicContact CB-CG 3.72Å; D73-L79 PolarHBondContact OD2-N 3.44Å; D73-V160 HydrophobicContact CB-CB 4.34Å; D73-V160 HydrophobicContact CB-CG2 4Å
74P94.4Very high92.3Very high65 Ų6548.6 Ų48.642%0.42224%0.244SC..THydrogen-bonded Turntrans-59.6-38.6-176-24.833.9000112.9D72 G76 T159 A188D72-P74 WeakPolarHBondContact O-CD 3.37Å; P74-G76 VanDerWaalsContact C-N 3.3Å; P74-T159 HydrophobicContact CG-CG2 3.9Å; P74-A188 HydrophobicContact CB-CB 3.97Å; P74-A188 HydrophobicContact CG-CB 4.22Å
75A93.8Very high92.5Very high24 Ų2445 Ų4520%0.19822%0.224CC..THydrogen-bonded Turntrans-79.4-14.217900000113.2D73 M77 A186 P252D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 2.78Å; A75-M77 PolarHBondContact O-N 3.04Å; A75-M77 VanDerWaalsContact O-N 3.11Å; A75-A186 HydrophobicContact CB-CB 3.7Å; A75-P252 HydrophobicContact CB-CB 3.68Å; A75-P252 HydrophobicContact CB-CG 4.2Å
76G95.1Very high92.9Very high26 Ų2645.4 Ų45.427%0.26823%0.227SC..  trans72.8-2.4172.800000115.7D73 P74 A80D73-G76 VanDerWaalsContact CG-CA 3.45Å; D73-G76 VanDerWaalsContact CG-N 3.31Å; D73-G76 PolarHBondContact O-N 3.15Å; D73-G76 PolarHBondContact OD1-N 2.87Å; D73-G76 WeakPolarHBondContact OD2-CA 3.49Å; D73-G76 PolarHBondContact OD2-N 3.36Å; P74-G76 VanDerWaalsContact C-N 3.3Å; G76-A80 WeakPolarHBondContact O-CB 3.36Å; G76-A80 PolarHBondContact O-N 2.97Å
77M95.9Very high92.7Very high19 Ų1942.7 Ų42.79%0.09423%0.231CC..Hα-helixtrans-67.7-41.5-174.4-178172.5-76.800112.4D73 A75 A81 T163 L165 R184 F185 A186 T254D73-M77 PolarHBondContact OD2-N 3.35Å; A75-M77 PolarHBondContact O-N 3.04Å; A75-M77 VanDerWaalsContact O-N 3.11Å; M77-A81 PolarHBondContact O-N 3.5Å; M77-A81 VanDerWaalsContact O-N 3.09Å; M77-T163 HydrophobicContact CB-CG2 4.17Å; M77-T163 HydrophobicContact CG-CG2 3.8Å; M77-T163 HydrophobicContact SD-CG2 3.88Å; M77-L165 HydrophobicContact CG-CB 4.44Å; M77-L165 HydrophobicContact CG-CD2 4.03Å; M77-L165 HydrophobicContact SD-CB 4.02Å; M77-L165 HydrophobicContact SD-CD2 4.45Å; M77-R184 HydrophobicContact CE-CB 3.86Å; M77-R184 HydrophobicContact SD-CB 4.39Å; M77-F185 VanDerWaalsContact CE-C 3.44Å; M77-F185 VanDerWaalsContact CE-O 3.3Å; M77-F185 WeakPolarHBondContact CE-O 3.35Å; M77-A186 HydrophobicContact CB-CB 3.67Å; M77-A186 HydrophobicContact CE-CB 3.81Å; M77-A186 HydrophobicContact CG-CB 4.33Å; M77-A186 HydrophobicContact SD-CB 3.79Å; M77-T254 HydrophobicContact CE-CG2 4.31Å
78L95.8Very high92.3Very high1 Ų146.1 Ų46.11%0.00527%0.27CS..Hα-helixtrans-64.9-51.2178.7178.871.2000110V71 D73 A80 A81 F82 L138 V160V71-L78 HydrophobicContact CG1-CD2 3.71Å; D73-L78 WeakPolarHBondContact OD2-CA 3.49Å; D73-L78 WeakPolarHBondContact OD2-CB 3.48Å; D73-L78 PolarHBondContact OD2-N 2.97Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.31Å; L78-A81 PolarHBondContact O-N 2.97Å; L78-F82 HydrophobicContact CD1-CD2 4.33Å; L78-F82 HydrophobicContact CD1-CE2 3.7Å; L78-F82 HydrophobicContact CG-CD2 4.47Å; L78-F82 HydrophobicContact CG-CE2 4.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.4Å; L78-F82 PolarHBondContact O-N 3.38Å; L78-L138 HydrophobicContact CD1-CD1 3.31Å; L78-L138 HydrophobicContact CD1-CD2 4.04Å; L78-L138 HydrophobicContact CD1-CG 4.35Å; L78-V160 HydrophobicContact CD2-CG2 3.6Å
79L95.4Very high92Very high30 Ų3047.9 Ų47.916%0.15729%0.285CS..Hα-helixtrans-65.4-37.5179.9-66.7-179.5000111.9L50 V71 D73 A81 F82 R83L50-L79 HydrophobicContact CB-CD2 3.84Å; L50-L79 HydrophobicContact CD2-CD2 4.19Å; L50-L79 WeakPolarHBondContact O-CD2 3.49Å; V71-L79 HydrophobicContact CG1-CD2 4.12Å; V71-L79 HydrophobicContact CG1-CG 4.5Å; D73-L79 HydrophobicContact CB-CD1 3.78Å; D73-L79 HydrophobicContact CB-CG 3.72Å; D73-L79 PolarHBondContact OD2-N 3.44Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-A81 PolarHBondContact O-N 3Å; L79-F82 PolarHBondContact O-N 2.77Å; L79-R83 WeakPolarHBondContact O-CB 3.33Å; L79-R83 VanDerWaalsContact O-CG 3.3Å; L79-R83 WeakPolarHBondContact O-CG 3.48Å; L79-R83 PolarHBondContact O-N 2.81Å
80A94.7Very high91.9Very high35 Ų3551.5 Ų51.529%0.28931%0.311SS..Hα-helixtrans-63.5-39176.600000112.3G76 L78 F82 R83 R84G76-A80 WeakPolarHBondContact O-CB 3.36Å; G76-A80 PolarHBondContact O-N 2.97Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.31Å; A80-F82 PolarHBondContact O-N 2.87Å; A80-R83 PolarHBondContact O-N 3.26Å; A80-R84 PolarHBondContact O-N 3.3Å
81A93.9Very high91.7Very high5 Ų552.6 Ų52.64%0.04133%0.332CS..Hα-helixtrans-59.5-47.1176.100000111.2M77 L78 L79 R84 F136 L165M77-A81 PolarHBondContact O-N 3.5Å; M77-A81 VanDerWaalsContact O-N 3.09Å; L78-A81 PolarHBondContact O-N 2.97Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-A81 PolarHBondContact O-N 3Å; A81-R84 PolarHBondContact O-N 3Å; A81-F136 HydrophobicContact CB-CD1 4.43Å; A81-F136 HydrophobicContact CB-CE1 4.12Å; A81-F136 HydrophobicContact CB-CZ 4.37Å; A81-F136 WeakPolarHBondContact O-CE1 3.02Å; A81-L165 HydrophobicContact CB-CD1 4.19Å; A81-L165 HydrophobicContact CB-CD2 4.1Å
82F93.9Very high91.7Very high4 Ų452.8 Ų52.82%0.01833%0.334CS..Hα-helixtrans-73.8-29.2178.5-70.8-70.7000114.1G24 P25 I28 L50 L78 L79 A80 R84 Y85 P92 V131 F136 L138G24-F82 WeakPolarHBondContact CA-O 3.33Å; P25-F82 HydrophobicContact CG-CB 4.25Å; P25-F82 HydrophobicContact CG-CD1 3.64Å; P25-F82 HydrophobicContact CG-CG 4.3Å; I28-F82 HydrophobicContact CD1-CD1 3.75Å; I28-F82 HydrophobicContact CD1-CD2 3.93Å; I28-F82 HydrophobicContact CD1-CE1 3.2Å; I28-F82 HydrophobicContact CD1-CE2 3.43Å; I28-F82 VanDerWaalsContact CD1-CE2 3.43Å; I28-F82 HydrophobicContact CD1-CG 4.1Å; I28-F82 HydrophobicContact CD1-CZ 3.06Å; I28-F82 HydrophobicContact CG1-CD1 4.29Å; I28-F82 HydrophobicContact CG1-CE1 3.96Å; I28-F82 HydrophobicContact CG1-CZ 4.27Å; L50-F82 HydrophobicContact CD1-CB 3.47Å; L50-F82 VanDerWaalsContact CD1-CB 3.47Å; L50-F82 HydrophobicContact CD1-CD1 4.02Å; L50-F82 HydrophobicContact CD1-CD2 3.75Å; L50-F82 HydrophobicContact CD1-CG 3.45Å; L50-F82 VanDerWaalsContact CD1-CG 3.45Å; L50-F82 HydrophobicContact CD2-CD2 4.13Å; L78-F82 HydrophobicContact CD1-CD2 4.33Å; L78-F82 HydrophobicContact CD1-CE2 3.7Å; L78-F82 HydrophobicContact CG-CD2 4.47Å; L78-F82 HydrophobicContact CG-CE2 4.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.4Å; L78-F82 PolarHBondContact O-N 3.38Å; L79-F82 PolarHBondContact O-N 2.77Å; A80-F82 PolarHBondContact O-N 2.87Å; F82-R84 PolarHBondContact O-N 2.88Å; F82-Y85 WeakPolarHBondContact O-CB 3.36Å; F82-Y85 PolarHBondContact O-N 2.84Å; F82-Y85 VanDerWaalsContact O-N 3.08Å; F82-P92 HydrophobicContact CE1-CG 4.11Å; F82-V131 HydrophobicContact CE1-CG1 4.38Å; F82-V131 HydrophobicContact CZ-CB 4.41Å; F82-V131 HydrophobicContact CZ-CG1 4.01Å; F82-V131 HydrophobicContact CZ-CG2 4.18Å; F82-F136 AromaticContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CE1-CE2 4.03Å; F82-F136 AromaticContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE1-CZ 3.48Å; F82-F136 VanDerWaalsContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE2-CZ 4.47Å; F82-F136 HydrophobicContact CG-CZ 4.44Å; F82-F136 AromaticContact CZ-CE2 3.99Å; F82-F136 HydrophobicContact CZ-CE2 3.99Å; F82-F136 AromaticContact CZ-CZ 3.81Å; F82-F136 HydrophobicContact CZ-CZ 3.81Å; F82-L138 HydrophobicContact CE2-CD2 3.82Å; F82-L138 HydrophobicContact CZ-CD2 3.76Å
83R91.4Very high91.8Very high169 Ų16956.4 Ų56.464%0.63835%0.348SS*.Hα-helixtrans-62.3-29.1171.7-78177.9-171.4176.35.2112.6L79 A80 Y85L79-R83 WeakPolarHBondContact O-CB 3.33Å; L79-R83 VanDerWaalsContact O-CG 3.3Å; L79-R83 WeakPolarHBondContact O-CG 3.48Å; L79-R83 PolarHBondContact O-N 2.81Å; A80-R83 PolarHBondContact O-N 3.26Å; R83-Y85 VanDerWaalsContact C-N 3.3Å
84R87.8Confident91.8Very high186 Ų18656.2 Ų56.270%0.70235%0.347SS*.THydrogen-bonded Turntrans-86.3-0.8176.4-65.7177.5-175.9173.71.7113.1A80 A81 F82 P86A80-R84 PolarHBondContact O-N 3.3Å; A81-R84 PolarHBondContact O-N 3Å; F82-R84 PolarHBondContact O-N 2.88Å; R84-P86 WeakPolarHBondContact O-CD 3.47Å
85Y89.1Confident91.9Very high9 Ų957.5 Ų57.54%0.03535%0.348CS..SBendtrans-69.1124-179.9-151.3-99.9000110.4S22 G24 F82 R83 A89 S90 L135 F136S22-Y85 PolarHBondContact OG-O 2.92Å; S22-Y85 VanDerWaalsContact OG-O 3.08Å; G24-Y85 WeakPolarHBondContact CA-O 3.45Å; F82-Y85 WeakPolarHBondContact O-CB 3.36Å; F82-Y85 PolarHBondContact O-N 2.84Å; F82-Y85 VanDerWaalsContact O-N 3.08Å; R83-Y85 VanDerWaalsContact C-N 3.3Å; Y85-A89 HydrophobicContact CD1-CB 4.08Å; Y85-A89 HydrophobicContact CE1-CB 3.53Å; Y85-S90 WeakPolarHBondContact CE1-O 3.32Å; Y85-S90 PolarHBondContact OH-O 3.48Å; Y85-L135 HydrophobicContact CD2-CD1 3.96Å; Y85-L135 HydrophobicContact CE2-CB 4.39Å; Y85-L135 HydrophobicContact CE2-CD1 3.7Å; Y85-F136 HydrophobicContact CD2-CD1 4.41Å; Y85-F136 AromaticContact CD2-CE1 3.56Å; Y85-F136 HydrophobicContact CD2-CE1 3.56Å; Y85-F136 AromaticContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CE2-CE1 4.03Å; Y85-F136 HydrophobicContact CE2-CZ 4.16Å
86P88.3Confident92Very high60 Ų6056.4 Ų56.439%0.3934%0.338SS..PPolyproline II helixtrans-63.3137.1-178.8-21.332.6000112.6R84 G88 A89 L135R84-P86 WeakPolarHBondContact O-CD 3.47Å; P86-G88 PolarHBondContact O-N 2.75Å; P86-A89 HydrophobicContact CB-CB 4.32Å; P86-A89 WeakPolarHBondContact O-CB 3.47Å; P86-A89 PolarHBondContact O-N 2.85Å; P86-L135 HydrophobicContact CG-CD1 3.82Å
87A82.8Confident92Very high85 Ų8556.5 Ų56.570%0.70234%0.335SS*.THydrogen-bonded Turntrans-60128.8170.200000110.5S22S22-A87 PolarHBondContact OG-N 2.88Å
88G81.5Confident91.9Very high88 Ų8863.3 Ų63.391%0.90736%0.36SS*.THydrogen-bonded Turntrans85.4-1.1-17900000115.5P86P86-G88 PolarHBondContact O-N 2.75Å
89A87.3Confident91.8Very high40 Ų4064.6 Ų64.633%0.33137%0.365SS..PPolyproline II helixtrans-65.2151.9167.800000110.9Y85 P86 L135Y85-A89 HydrophobicContact CD1-CB 4.08Å; Y85-A89 HydrophobicContact CE1-CB 3.53Å; P86-A89 HydrophobicContact CB-CB 4.32Å; P86-A89 WeakPolarHBondContact O-CB 3.47Å; P86-A89 PolarHBondContact O-N 2.85Å; A89-L135 HydrophobicContact CB-CD1 4.21Å
90S90.3Very high91.7Very high83 Ų8369.7 Ų69.758%0.5839%0.391SS*.PPolyproline II helixtrans-56.9144.2175.9530000110.8Y85Y85-S90 WeakPolarHBondContact CE1-O 3.32Å; Y85-S90 PolarHBondContact OH-O 3.48Å
91A90.3Very high91.6Very high85 Ų8569.4 Ų69.470%0.70239%0.387SS*.PPolyproline II helixtrans-58133.717500000110.2
92P94.1Very high91.5Very high15 Ų1576 Ų7610%0.09742%0.415CS..PPolyproline II helixtrans-69.9150.6177.931.1-35.1000110.3I28 F82 V131I28-P92 HydrophobicContact CG2-CG 4.39Å; F82-P92 HydrophobicContact CE1-CG 4.11Å; P92-V131 HydrophobicContact CB-CG1 3.63Å; P92-V131 HydrophobicContact CG-CG1 4.08Å
93H95.6Very high91.3Very high143 Ų14378 Ų7866%0.66243%0.428SS*.EExtended strand (participates in β ladder)trans-74.9127.7171.9-63.5-64.1000109V131 S132H93-V131 CarbonylContact O-C 3.54Å; H93-V131 WeakPolarHBondContact O-CA 3.4Å; H93-V131 WeakPolarHBondContact O-CG1 3.1Å; H93-S132 PolarHBondContact N-O 2.84Å; H93-S132 PolarHBondContact O-N 2.99Å
94C96.7Very high91.3Very high8 Ų870.8 Ų70.85%0.05441%0.405CS..EExtended strand (participates in β ladder)trans-126.2129.3177.6179.90000110.8I28 E29 C30 W31 S130 V131I28-C94 HydrophobicContact CG2-CB 3.73Å; E29-C94 WeakPolarHBondContact O-CB 3.26Å; C30-C94 WeakPolarHBondContact CA-O 3.36Å; C30-C94 HydrophobicContact CB-CB 3.73Å; C30-C94 WeakPolarHBondContact CB-SG 3.44Å; C30-C94 WeakPolarHBondContact SG-CB 3.41Å; C30-C94 CovalentContact SG-SG 2.03Å; C30-C94 PolarHBondContact SG-SG 3.47Å; W31-C94 PolarHBondContact N-O 3.43Å; C94-S130 WeakPolarHBondContact CA-O 3.47Å; C94-V131 HydrophobicContact CB-CG2 4.27Å
95E96.3Very high91.3Very high93 Ų9367.2 Ų67.244%0.43541%0.408SS..EExtended strand (participates in β ladder)trans-123.7139173.9-169.2174.2103.600109.6W31 V33 V129 S130W31-E95 WeakPolarHBondContact O-CA 3.42Å; V33-E95 HydrophobicContact CB-CG 4.43Å; V33-E95 HydrophobicContact CG2-CG 3.57Å; E95-V129 WeakPolarHBondContact O-CA 3.41Å; E95-S130 PolarHBondContact N-O 2.83Å; E95-S130 PolarHBondContact O-N 3.02Å
96M95.6Very high91.4Very high0 Ų067.8 Ų67.80%042%0.415CS..EExtended strand (participates in β ladder)trans-124.6138.5177.7-62.9-178.864.400109.5C30 W31 F32 V33 A46 L48 F69 L127 L128 V129C30-M96 HydrophobicContact CB-CG 3.74Å; C30-M96 HydrophobicContact CB-SD 3.61Å; W31-M96 PolarHBondContact O-N 3.25Å; F32-M96 CarbonylContact C-O 3.59Å; F32-M96 WeakPolarHBondContact CA-O 3.22Å; F32-M96 HydrophobicContact CB-CB 4.49Å; F32-M96 HydrophobicContact CD2-CB 3.93Å; V33-M96 PolarHBondContact N-O 2.83Å; A46-M96 HydrophobicContact CB-SD 3.92Å; L48-M96 HydrophobicContact CD1-SD 4.41Å; L48-M96 HydrophobicContact CD2-CE 4.04Å; L48-M96 HydrophobicContact CD2-SD 4.2Å; L48-M96 HydrophobicContact CG-SD 4.1Å; F69-M96 HydrophobicContact CD2-CE 3.58Å; F69-M96 HydrophobicContact CD2-SD 4.45Å; F69-M96 HydrophobicContact CE2-CE 3.44Å; F69-M96 VanDerWaalsContact CE2-CE 3.44Å; F69-M96 HydrophobicContact CE2-SD 4.49Å; F69-M96 HydrophobicContact CZ-CE 4.35Å; M96-L127 HydrophobicContact CE-CD1 4.09Å; M96-L128 CarbonylContact C-O 3.49Å; M96-L128 VanDerWaalsContact CA-O 3.29Å; M96-L128 WeakPolarHBondContact CA-O 3.38Å; M96-V129 HydrophobicContact CE-CG2 4.09Å; M96-V129 HydrophobicContact CG-CG1 4.49Å; M96-V129 HydrophobicContact CG-CG2 4.09Å
97S95.1Very high91.5Very high28 Ų2873 Ų7320%0.19643%0.431CS..EExtended strand (participates in β ladder)trans-144.6164.6175.656.70000110.9L127 L128S97-L127 CarbonylContact O-C 3.57Å; S97-L127 WeakPolarHBondContact O-CA 3.43Å; S97-L128 PolarHBondContact N-O 2.84Å; S97-L128 PolarHBondContact O-N 2.8Å
98R94.4Very high91.9Very high163 Ų16370.3 Ų70.362%0.61540%0.403SS*.EExtended strand (participates in β ladder)trans-70.3133.2170.9-69.8-161.5177.693.519.8109.8F32 E34F32-R98 HydrophobicContact CE2-CG 4.47Å; F32-R98 HydrophobicContact CZ-CG 4.07Å; E34-R98 IonicContact OE1-CZ 3.34Å; E34-R98 IonicContact OE1-NH1 2.78Å; E34-R98 PolarHBondContact OE1-NH1 2.91Å; E34-R98 IonicContact OE1-NH2 2.95Å; E34-R98 PolarHBondContact OE1-NH2 2.99Å
99F94.3Very high92.4Very high28 Ų2866.1 Ų66.112%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-105.5144172.1-177.2-100.8000109.5P101 W126 L128 L141 L281 Q282F99-P101 HydrophobicContact CD1-CG 4.3Å; F99-P101 HydrophobicContact CE1-CB 4.35Å; F99-P101 HydrophobicContact CE1-CG 4.19Å; F99-W126 HydrophobicContact CB-CB 3.9Å; F99-W126 HydrophobicContact CD1-CB 3.96Å; F99-W126 HydrophobicContact CD1-CG 4.39Å; F99-W126 HydrophobicContact CG-CB 4.45Å; F99-W126 PolarHBondContact N-O 2.81Å; F99-W126 WeakPolarHBondContact O-CB 3.17Å; F99-L128 HydrophobicContact CB-CB 4.1Å; F99-L128 HydrophobicContact CD2-CB 4.46Å; F99-L141 HydrophobicContact CB-CD2 4.19Å; F99-L141 HydrophobicContact CD1-CD1 4.34Å; F99-L141 HydrophobicContact CD1-CD2 3.89Å; F99-L141 HydrophobicContact CD2-CD2 3.71Å; F99-L141 HydrophobicContact CE1-CD1 3.92Å; F99-L141 HydrophobicContact CE1-CD2 4.18Å; F99-L141 HydrophobicContact CE2-CD2 4.01Å; F99-L141 HydrophobicContact CG-CD2 3.64Å; F99-L141 HydrophobicContact CZ-CD1 4.04Å; F99-L141 HydrophobicContact CZ-CD2 4.24Å; F99-L281 HydrophobicContact CE1-CD2 3.91Å; F99-Q282 HydrophobicContact CE2-CG 4.23Å; F99-Q282 HydrophobicContact CZ-CG 4.38Å
100I93.3Very high92.5Very high136 Ų13671.7 Ų71.770%0.69737%0.372SS*.  trans-121.7114174.1-60.2174.9000106.4F102I100-F102 PolarHBondContact O-N 3.38Å
101P92.4Very high92.4Very high30 Ų3070 Ų7020%0.19536%0.361CS..  trans-56.5123.7175.4-24.133.4000110.7F99 L122 W126 Y280 L281F99-P101 HydrophobicContact CD1-CG 4.3Å; F99-P101 HydrophobicContact CE1-CB 4.35Å; F99-P101 HydrophobicContact CE1-CG 4.19Å; P101-L122 HydrophobicContact CB-CB 4.42Å; P101-L122 HydrophobicContact CB-CD1 4.17Å; P101-L122 HydrophobicContact CG-CB 4.43Å; P101-W126 HydrophobicContact CG-CD2 4.04Å; P101-W126 HydrophobicContact CG-CG 3.91Å; P101-Y280 CarbonylContact C-O 3.54Å; P101-Y280 WeakPolarHBondContact CA-O 3.36Å; P101-L281 HydrophobicContact CB-CD2 4.31Å; P101-L281 HydrophobicContact CG-CD2 4.43Å
102F90.7Very high92.3Very high144 Ų14466.5 Ų66.563%0.63233%0.33SS*.  trans-151.1142.4-175.7-170.4-98.4000110.2I100 Y280I100-F102 PolarHBondContact O-N 3.38Å; F102-Y280 PolarHBondContact N-O 3.06Å; F102-Y280 CarbonylContact O-C 3.56Å; F102-Y280 WeakPolarHBondContact O-CA 3.32Å
103P90.7Very high91.9Very high44 Ų4466.7 Ų66.729%0.28633%0.332SS..  trans-57.6145.1177.4-24.634.4000112.6S105 Y280P103-S105 PolarHBondContact O-N 3.24Å; P103-Y280 HydrophobicContact CG-CD1 3.82Å; P103-Y280 HydrophobicContact CG-CE1 3.6Å
104A90.8Very high91.3Very high19 Ų1965 Ų6516%0.15733%0.333CS..  trans-55.3128.3175.900000111.1A106 A109A104-A106 PolarHBondContact O-N 2.97Å; A104-A109 HydrophobicContact CB-CB 3.51Å
105S88.9Confident90.5Very high111 Ų11171 Ų7178%0.77636%0.361SS*.SBendtrans-67.6-24.1-178.362.80000112.9P103P103-S105 PolarHBondContact O-N 3.24Å
106A89.4Confident89.7Confident21 Ų2175.9 Ų75.917%0.17438%0.383CS..SBendtrans-70.3131.9-178.300000111.8A104 W108 A109A104-A106 PolarHBondContact O-N 2.97Å; A106-W108 VanDerWaalsContact C-N 3.26Å; A106-W108 HydrophobicContact CB-CG 4.45Å; A106-W108 HydrophobicContact CB-CZ2 4.39Å; A106-W108 PolarHBondContact O-N 3.43Å; A106-A109 HydrophobicContact CB-CB 4.41Å; A106-A109 PolarHBondContact O-N 2.92Å; A106-A109 VanDerWaalsContact O-N 3.1Å
107K90.9Very high89.1Confident168 Ų16881.7 Ų81.773%0.7342%0.415SS*.G310 helixtrans-60-33.3-176.3-62.2-168.6178.8178.10114A109 R110K107-A109 VanDerWaalsContact C-N 3.29Å; K107-A109 PolarHBondContact O-N 3.37Å; K107-R110 WeakPolarHBondContact O-CG 3.4Å
108W92.1Very high88.5Confident29 Ų2985.1 Ų85.111%0.1144%0.438CS..G310 helixtrans-72.6-22.6-179.263.3-99.5000112.9A106 E208 A222 T224 M231 P232 H277A106-W108 VanDerWaalsContact C-N 3.26Å; A106-W108 HydrophobicContact CB-CG 4.45Å; A106-W108 HydrophobicContact CB-CZ2 4.39Å; A106-W108 PolarHBondContact O-N 3.43Å; W108-E208 HydrophobicContact CH2-CB 4.15Å; W108-E208 HydrophobicContact CZ2-CB 3.84Å; W108-E208 HydrophobicContact CZ2-CG 3.98Å; W108-A222 HydrophobicContact CD2-CB 3.94Å; W108-A222 HydrophobicContact CE3-CB 4.28Å; W108-A222 HydrophobicContact CG-CB 4.45Å; W108-A222 HydrophobicContact CH2-CB 4.29Å; W108-A222 HydrophobicContact CZ2-CB 3.95Å; W108-A222 HydrophobicContact CZ3-CB 4.44Å; W108-T224 HydrophobicContact CE3-CG2 3.83Å; W108-T224 HydrophobicContact CZ3-CG2 3.66Å; W108-M231 HydrophobicContact CE3-SD 4.01Å; W108-P232 HydrophobicContact CB-CG 4.12Å; W108-P232 HydrophobicContact CG-CG 3.97Å; W108-H277 AromaticContact CH2-CD2 3.71Å
109A91.8Very high88.1Confident1 Ų179.3 Ų79.31%0.00842%0.421CS..G310 helixtrans-90.7-2.9-178.200000113A104 A106 K107 S111 L112A104-A109 HydrophobicContact CB-CB 3.51Å; A106-A109 HydrophobicContact CB-CB 4.41Å; A106-A109 PolarHBondContact O-N 2.92Å; A106-A109 VanDerWaalsContact O-N 3.1Å; K107-A109 VanDerWaalsContact C-N 3.29Å; K107-A109 PolarHBondContact O-N 3.37Å; A109-S111 PolarHBondContact O-N 2.85Å; A109-S111 VanDerWaalsContact O-N 3.17Å; A109-L112 HydrophobicContact CB-CD1 4.17Å; A109-L112 VanDerWaalsContact O-CB 3.32Å; A109-L112 WeakPolarHBondContact O-CB 3.47Å; A109-L112 PolarHBondContact O-N 3.01Å
110R88.9Confident87.6Confident156 Ų15688.3 Ų88.359%0.58945%0.454SS*.G310 helixtrans-58.8-30.4-177.6-70.3179.9-170.5-153.8-0113.6K107 L112 S113K107-R110 WeakPolarHBondContact O-CG 3.4Å; R110-L112 PolarHBondContact O-N 3.38Å; R110-S113 CarbonylContact O-C 3.38Å; R110-S113 PolarHBondContact O-N 2.81Å; R110-S113 VanDerWaalsContact O-N 3.1Å
111S87.9Confident87.1Confident48 Ų4883.2 Ų83.234%0.33643%0.432SS..G310 helixtrans-67-15.7178.954.10000113.6A109 S113 L227A109-S111 PolarHBondContact O-N 2.85Å; A109-S111 VanDerWaalsContact O-N 3.17Å; S111-S113 PolarHBondContact O-N 2.78Å; S111-L227 WeakPolarHBondContact O-CD1 3.45Å
112L87.8Confident86.8Confident11 Ų1183.3 Ų83.36%0.05843%0.431CS..G310 helixtrans-72.8-16.8173-62.5169000112.5A109 R110 P204 T224 L227 H277 P279A109-L112 HydrophobicContact CB-CD1 4.17Å; A109-L112 VanDerWaalsContact O-CB 3.32Å; A109-L112 WeakPolarHBondContact O-CB 3.47Å; A109-L112 PolarHBondContact O-N 3.01Å; R110-L112 PolarHBondContact O-N 3.38Å; L112-P204 HydrophobicContact CD2-CB 4.19Å; L112-T224 HydrophobicContact CD1-CG2 4.43Å; L112-T224 HydrophobicContact CD2-CG2 4.45Å; L112-T224 HydrophobicContact CG-CG2 4.39Å; L112-L227 HydrophobicContact CD2-CD1 3.74Å; L112-L227 HydrophobicContact CG-CD1 4.39Å; L112-H277 HydrophobicContact CD1-CB 3.69Å; L112-P279 WeakPolarHBondContact O-CB 3.4Å; L112-P279 WeakPolarHBondContact O-CG 3.38Å
113S87.2Confident86.6Confident19 Ų1981.6 Ų81.613%0.13343%0.428CS..  trans-137.372.4178.8-52.90000108.8R110 S111 E115R110-S113 CarbonylContact O-C 3.38Å; R110-S113 PolarHBondContact O-N 2.81Å; R110-S113 VanDerWaalsContact O-N 3.1Å; S111-S113 PolarHBondContact O-N 2.78Å; S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 2.97Å
114P82.1Confident86.5Confident108 Ų10882.3 Ų82.370%0.70144%0.443SS*.  trans-70.9-27.1-176.829.6-34.6000112.3
115E79.9Confident86.6Confident133 Ų13386.9 Ų86.962%0.62147%0.465SS*.SBendtrans-70.6139.7178.2-61.3-166174.300111.4S113 N117 Y280S113-E115 VanDerWaalsContact C-N 3.28Å; S113-E115 PolarHBondContact O-N 2.97Å; E115-N117 PolarHBondContact O-N 2.77Å; E115-Y280 PolarHBondContact O-OH 2.86Å
116Q78.7Confident86.8Confident196 Ų19682 Ų8292%0.91643%0.43SS*.SBendtrans-84.92.5178.9-63.1-171.810.900113.3
117N83.8Confident87.1Confident123 Ų12381.5 Ų81.566%0.65842%0.424SS*.SBendtrans-117.5151.9-177.2-63.8-19.7000110.4E115 Y280E115-N117 PolarHBondContact O-N 2.77Å; N117-Y280 PolarHBondContact O-OH 2.87Å
118C83.3Confident87.4Confident100 Ų10075.3 Ų75.368%0.67640%0.399SS*.  trans-76.1129.5173.4-630000110.5R120C118-R120 PolarHBondContact O-N 2.82Å
119P84.9Confident87.7Confident41 Ų4174 Ų7427%0.26639%0.394SS..  trans-62.7129175.4-22.431.2000111.6A121 L122 Y280P119-A121 PolarHBondContact O-N 2.94Å; P119-L122 HydrophobicContact CB-CD1 4.34Å; P119-L122 HydrophobicContact CB-CG 4.34Å; P119-L122 HydrophobicContact CG-CD1 4.19Å; P119-L122 WeakPolarHBondContact O-CB 3.15Å; P119-L122 PolarHBondContact O-N 2.81Å; P119-Y280 VanDerWaalsContact CD-CZ 3.4Å; P119-Y280 HydrophobicContact CG-CD2 3.84Å; P119-Y280 HydrophobicContact CG-CE2 3.53Å
120R84.7Confident88Confident217 Ų21776 Ų7682%0.81941%0.408SS*.G310 helixtrans-62.6-21.1176.3-66.7-172-176.6173.71113.5C118 L122 D123C118-R120 PolarHBondContact O-N 2.82Å; R120-L122 PolarHBondContact O-N 2.77Å; R120-L122 VanDerWaalsContact O-N 3.15Å; R120-D123 WeakPolarHBondContact O-CB 3.37Å; R120-D123 VanDerWaalsContact O-CG 3.22Å; R120-D123 PolarHBondContact O-N 3.41Å; R120-D123 VanDerWaalsContact O-N 3.11Å
121A82.6Confident88.3Confident29 Ų2968.7 Ų68.724%0.2438%0.381CS..G310 helixtrans-61.6-19.2174.500000113P119 R143 E193P119-A121 PolarHBondContact O-N 2.94Å; A121-R143 PolarHBondContact O-NH1 2.64Å; A121-E193 HydrophobicContact CB-CG 4.23Å
122L85.9Confident88.7Confident31 Ų3168.9 Ų68.916%0.16238%0.382CS..G310 helixtrans-94.94.6179-56.9176.5000113.5P101 P119 R120 W126 Y280 L281P101-L122 HydrophobicContact CB-CB 4.42Å; P101-L122 HydrophobicContact CB-CD1 4.17Å; P101-L122 HydrophobicContact CG-CB 4.43Å; P119-L122 HydrophobicContact CB-CD1 4.34Å; P119-L122 HydrophobicContact CB-CG 4.34Å; P119-L122 HydrophobicContact CG-CD1 4.19Å; P119-L122 WeakPolarHBondContact O-CB 3.15Å; P119-L122 PolarHBondContact O-N 2.81Å; R120-L122 PolarHBondContact O-N 2.77Å; R120-L122 VanDerWaalsContact O-N 3.15Å; L122-W126 HydrophobicContact CB-CZ2 4.3Å; L122-W126 HydrophobicContact CD2-CH2 3.95Å; L122-W126 HydrophobicContact CD2-CZ2 3.67Å; L122-W126 PolarHBondContact O-NE1 2.87Å; L122-Y280 VanDerWaalsContact CD1-CB 3.43Å; L122-Y280 HydrophobicContact CD1-CD2 3.9Å; L122-Y280 HydrophobicContact CD1-CG 3.71Å; L122-L281 HydrophobicContact CD2-CD2 4.28Å
123D87.1Confident89Confident109 Ų10969.4 Ų69.458%0.58339%0.386SS*.  trans-62.4147.9176.5-69.5-18000111.3R120R120-D123 WeakPolarHBondContact O-CB 3.37Å; R120-D123 VanDerWaalsContact O-CG 3.22Å; R120-D123 PolarHBondContact O-N 3.41Å; R120-D123 VanDerWaalsContact O-N 3.11Å
124G88Confident89.2Confident58 Ų5874 Ų7460%0.59841%0.414SS*.SBendtrans109.9179.7-179.500000113.7W126G124-W126 VanDerWaalsContact O-CD1 3.27Å
125D91.7Very high89.7Confident116 Ų11672.1 Ų72.162%0.6240%0.398SS*.  trans-77.9143.7178.2-70.7-35.1000110.7P144D125-P144 HydrophobicContact CB-CG 4.03Å; D125-P144 WeakPolarHBondContact O-CD 3.34Å
126W94.6Very high90.4Very high9 Ų966.3 Ų66.33%0.03437%0.37CS..EExtended strand (participates in β ladder)trans-127.7144.2175.8-6776.6000110.9F99 P101 L122 G124 L141 V161 L281F99-W126 HydrophobicContact CB-CB 3.9Å; F99-W126 HydrophobicContact CD1-CB 3.96Å; F99-W126 HydrophobicContact CD1-CG 4.39Å; F99-W126 HydrophobicContact CG-CB 4.45Å; F99-W126 PolarHBondContact N-O 2.81Å; F99-W126 WeakPolarHBondContact O-CB 3.17Å; P101-W126 HydrophobicContact CG-CD2 4.04Å; P101-W126 HydrophobicContact CG-CG 3.91Å; L122-W126 HydrophobicContact CB-CZ2 4.3Å; L122-W126 HydrophobicContact CD2-CH2 3.95Å; L122-W126 HydrophobicContact CD2-CZ2 3.67Å; L122-W126 PolarHBondContact O-NE1 2.87Å; G124-W126 VanDerWaalsContact O-CD1 3.27Å; W126-L141 HydrophobicContact CE3-CB 4.37Å; W126-L141 HydrophobicContact CZ3-CB 4.46Å; W126-V161 HydrophobicContact CH2-CB 4.25Å; W126-V161 HydrophobicContact CH2-CG1 3.97Å; W126-V161 HydrophobicContact CH2-CG2 3.93Å; W126-V161 HydrophobicContact CZ3-CB 3.81Å; W126-V161 HydrophobicContact CZ3-CG1 3.91Å; W126-V161 HydrophobicContact CZ3-CG2 3.71Å; W126-L281 HydrophobicContact CE3-CD2 4.29Å; W126-L281 HydrophobicContact CH2-CD1 4.26Å; W126-L281 HydrophobicContact CH2-CD2 3.98Å; W126-L281 HydrophobicContact CZ2-CD2 4.49Å; W126-L281 HydrophobicContact CZ3-CD1 4.33Å; W126-L281 HydrophobicContact CZ3-CD2 3.85Å
127L95.9Very high91.3Very high10 Ų1057.3 Ų57.35%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-121.5133.7177.9-64.6172.6000109.8F32 F69 M96 S97 L141 L142 P144F32-L127 HydrophobicContact CE2-CD2 3.79Å; F69-L127 HydrophobicContact CD1-CD1 4.36Å; F69-L127 HydrophobicContact CE1-CD1 3.64Å; F69-L127 HydrophobicContact CE2-CD1 3.98Å; F69-L127 HydrophobicContact CZ-CD1 3.4Å; M96-L127 HydrophobicContact CE-CD1 4.09Å; S97-L127 CarbonylContact O-C 3.57Å; S97-L127 WeakPolarHBondContact O-CA 3.43Å; L127-L141 CarbonylContact O-C 3.59Å; L127-L141 WeakPolarHBondContact O-CA 3.46Å; L127-L142 HydrophobicContact CB-CB 4.28Å; L127-L142 PolarHBondContact N-O 2.85Å; L127-L142 PolarHBondContact O-N 2.78Å; L127-P144 HydrophobicContact CD1-CB 4.29Å; L127-P144 HydrophobicContact CD1-CG 3.94Å; L127-P144 HydrophobicContact CG-CG 4.15Å
128L97.1Very high91.9Very high38 Ų3851.6 Ų51.620%0.19930%0.299CS..EExtended strand (participates in β ladder)trans-97.9122.3166.717566.4000108.2M96 S97 F99 S139 L141M96-L128 CarbonylContact C-O 3.49Å; M96-L128 VanDerWaalsContact CA-O 3.29Å; M96-L128 WeakPolarHBondContact CA-O 3.38Å; S97-L128 PolarHBondContact N-O 2.84Å; S97-L128 PolarHBondContact O-N 2.8Å; F99-L128 HydrophobicContact CB-CB 4.1Å; F99-L128 HydrophobicContact CD2-CB 4.46Å; L128-S139 WeakPolarHBondContact CD1-OG 3.37Å; L128-L141 HydrophobicContact CB-CD2 4.19Å; L128-L141 HydrophobicContact CD1-CD2 3.67Å
129V97.7Very high92.6Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-107.6123.6173.3179.80000108L48 E95 M96 V131 S139 S140 L142L48-V129 HydrophobicContact CD1-CG1 3.57Å; L48-V129 HydrophobicContact CD1-CG2 4.15Å; E95-V129 WeakPolarHBondContact O-CA 3.41Å; M96-V129 HydrophobicContact CE-CG2 4.09Å; M96-V129 HydrophobicContact CG-CG1 4.49Å; M96-V129 HydrophobicContact CG-CG2 4.09Å; V129-V131 HydrophobicContact CG1-CG2 3.92Å; V129-S139 CarbonylContact O-C 3.6Å; V129-S139 VanDerWaalsContact O-CA 3.3Å; V129-S139 WeakPolarHBondContact O-CA 3.42Å; V129-S140 PolarHBondContact N-O 2.83Å; V129-S140 PolarHBondContact O-N 2.81Å; V129-L142 HydrophobicContact CB-CD1 4.19Å; V129-L142 HydrophobicContact CG2-CD1 3.64Å; V129-L142 HydrophobicContact CG2-CD2 4.01Å; V129-L142 HydrophobicContact CG2-CG 4.35Å
130S97.3Very high93.2Very high44 Ų4445.1 Ų45.131%0.30826%0.255SS..EExtended strand (participates in β ladder)trans-117122.8173.7-59.10000109.2C94 E95C94-S130 WeakPolarHBondContact CA-O 3.47Å; E95-S130 PolarHBondContact N-O 2.83Å; E95-S130 PolarHBondContact O-N 3.02Å
131V96.7Very high93.8Very high2 Ų234.8 Ų34.81%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-121128.1178-170.90000109.8F82 P92 H93 C94 V129 F136 S137 L138F82-V131 HydrophobicContact CE1-CG1 4.38Å; F82-V131 HydrophobicContact CZ-CB 4.41Å; F82-V131 HydrophobicContact CZ-CG1 4.01Å; F82-V131 HydrophobicContact CZ-CG2 4.18Å; P92-V131 HydrophobicContact CB-CG1 3.63Å; P92-V131 HydrophobicContact CG-CG1 4.08Å; H93-V131 CarbonylContact O-C 3.54Å; H93-V131 WeakPolarHBondContact O-CA 3.4Å; H93-V131 WeakPolarHBondContact O-CG1 3.1Å; C94-V131 HydrophobicContact CB-CG2 4.27Å; V129-V131 HydrophobicContact CG1-CG2 3.92Å; V131-F136 HydrophobicContact CG1-CE2 4.16Å; V131-S137 CarbonylContact O-C 3.52Å; V131-S137 WeakPolarHBondContact O-CA 2.97Å; V131-L138 HydrophobicContact CB-CD2 3.73Å; V131-L138 HydrophobicContact CB-CG 3.78Å; V131-L138 HydrophobicContact CG1-CD2 4.37Å; V131-L138 HydrophobicContact CG2-CD1 4.27Å; V131-L138 HydrophobicContact CG2-CD2 4.04Å; V131-L138 HydrophobicContact CG2-CG 4.06Å; V131-L138 PolarHBondContact N-O 2.01Å; V131-L138 PolarHBondContact O-N 2.91Å
132S95.3Very high94.4Very high52 Ų5233.4 Ų33.436%0.36421%0.205SC..EExtended strand (participates in β ladder)trans-127137.3177.363.20000111.5H93H93-S132 PolarHBondContact N-O 2.84Å; H93-S132 PolarHBondContact O-N 2.99Å
133S93.8Very high94.8Very high22 Ų2234.4 Ų34.415%0.15421%0.207CC..  trans-150.8178.4177.171.20000109.8L135 F136 P169S133-L135 PolarHBondContact O-N 2.79Å; S133-L135 PolarHBondContact OG-N 2.68Å; S133-L135 VanDerWaalsContact OG-N 3.16Å; S133-F136 PolarHBondContact N-O 3.06Å; S133-F136 PolarHBondContact OG-N 2.84Å; S133-F136 PolarHBondContact OG-O 2.8Å; S133-P169 VanDerWaalsContact O-CG 3.24Å; S133-P169 WeakPolarHBondContact O-CG 3.28Å
134T91.4Very high95.1Very high116 Ų11630.1 Ų30.171%0.71219%0.185SC*.SBendtrans-74.9-14.317153.10000113.1
135L92.8Very high95Very high69 Ų6932.1 Ų32.136%0.36118%0.179SC..SBendtrans-99.8-39.3-174.1-62176.1000112.7Y85 P86 A89 S133 H167Y85-L135 HydrophobicContact CD2-CD1 3.96Å; Y85-L135 HydrophobicContact CE2-CB 4.39Å; Y85-L135 HydrophobicContact CE2-CD1 3.7Å; P86-L135 HydrophobicContact CG-CD1 3.82Å; A89-L135 HydrophobicContact CB-CD1 4.21Å; S133-L135 PolarHBondContact O-N 2.79Å; S133-L135 PolarHBondContact OG-N 2.68Å; S133-L135 VanDerWaalsContact OG-N 3.16Å; L135-H167 CarbonylContact O-C 3.52Å
136F95.1Very high94.2Very high10 Ų1033 Ų334%0.04419%0.19CC..  trans-152.6163.4173.459.9-112.9000111.1A81 F82 Y85 V131 S133 L138 L165 T166A81-F136 HydrophobicContact CB-CD1 4.43Å; A81-F136 HydrophobicContact CB-CE1 4.12Å; A81-F136 HydrophobicContact CB-CZ 4.37Å; A81-F136 WeakPolarHBondContact O-CE1 3.02Å; F82-F136 AromaticContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CD1-CZ 3.82Å; F82-F136 HydrophobicContact CE1-CE2 4.03Å; F82-F136 AromaticContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE1-CZ 3.48Å; F82-F136 VanDerWaalsContact CE1-CZ 3.48Å; F82-F136 HydrophobicContact CE2-CZ 4.47Å; F82-F136 HydrophobicContact CG-CZ 4.44Å; F82-F136 AromaticContact CZ-CE2 3.99Å; F82-F136 HydrophobicContact CZ-CE2 3.99Å; F82-F136 AromaticContact CZ-CZ 3.81Å; F82-F136 HydrophobicContact CZ-CZ 3.81Å; Y85-F136 HydrophobicContact CD2-CD1 4.41Å; Y85-F136 AromaticContact CD2-CE1 3.56Å; Y85-F136 HydrophobicContact CD2-CE1 3.56Å; Y85-F136 AromaticContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CD2-CZ 3.93Å; Y85-F136 HydrophobicContact CE2-CE1 4.03Å; Y85-F136 HydrophobicContact CE2-CZ 4.16Å; V131-F136 HydrophobicContact CG1-CE2 4.16Å; S133-F136 PolarHBondContact N-O 3.06Å; S133-F136 PolarHBondContact OG-N 2.84Å; S133-F136 PolarHBondContact OG-O 2.8Å; F136-L138 HydrophobicContact CD2-CD2 3.81Å; F136-L138 HydrophobicContact CE2-CD2 3.39Å; F136-L138 HydrophobicContact CZ-CD2 4.21Å; F136-L165 HydrophobicContact CB-CD1 3.92Å; F136-L165 HydrophobicContact CD2-CD1 4.24Å; F136-L165 HydrophobicContact CG-CD1 4.13Å; F136-T166 WeakPolarHBondContact CA-O 3.22Å; F136-T166 WeakPolarHBondContact CB-O 3.48Å
137S97Very high93.2Very high8 Ų840 Ų406%0.05622%0.223CC..EExtended strand (participates in β ladder)trans-126.4134.6165.7178.60000108.4V131 T166V131-S137 CarbonylContact O-C 3.52Å; V131-S137 WeakPolarHBondContact O-CA 2.97Å; S137-T166 PolarHBondContact N-O 3.06Å; S137-T166 WeakPolarHBondContact O-CG2 3.34Å; S137-T166 PolarHBondContact O-N 3.08Å
138L96.8Very high92.1Very high3 Ų341.5 Ų41.52%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-140.3153-179.283.8102.7000112.1L78 F82 V131 F136 S140 V164 L165L78-L138 HydrophobicContact CD1-CD1 3.31Å; L78-L138 HydrophobicContact CD1-CD2 4.04Å; L78-L138 HydrophobicContact CD1-CG 4.35Å; F82-L138 HydrophobicContact CE2-CD2 3.82Å; F82-L138 HydrophobicContact CZ-CD2 3.76Å; V131-L138 HydrophobicContact CB-CD2 3.73Å; V131-L138 HydrophobicContact CB-CG 3.78Å; V131-L138 HydrophobicContact CG1-CD2 4.37Å; V131-L138 HydrophobicContact CG2-CD1 4.27Å; V131-L138 HydrophobicContact CG2-CD2 4.04Å; V131-L138 HydrophobicContact CG2-CG 4.06Å; V131-L138 PolarHBondContact N-O 2.01Å; V131-L138 PolarHBondContact O-N 2.91Å; F136-L138 HydrophobicContact CD2-CD2 3.81Å; F136-L138 HydrophobicContact CE2-CD2 3.39Å; F136-L138 HydrophobicContact CZ-CD2 4.21Å; L138-S140 WeakPolarHBondContact CD1-OG 3.47Å; L138-V164 CarbonylContact C-O 3.46Å; L138-V164 WeakPolarHBondContact CA-O 3.5Å; L138-L165 HydrophobicContact CB-CD1 3.76Å
139S98.1Very high90.8Very high3 Ų344 Ų442%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-132.1130.1172.1177.80000108.1L128 V129 T163 V164 Q284L128-S139 WeakPolarHBondContact CD1-OG 3.37Å; V129-S139 CarbonylContact O-C 3.6Å; V129-S139 VanDerWaalsContact O-CA 3.3Å; V129-S139 WeakPolarHBondContact O-CA 3.42Å; S139-T163 CarbonylContact O-C 3.59Å; S139-T163 WeakPolarHBondContact O-CA 3.36Å; S139-V164 PolarHBondContact N-O 2.91Å; S139-V164 PolarHBondContact O-N 3.06Å; S139-Q284 WeakPolarHBondContact CB-O 3.45Å; S139-Q284 PolarHBondContact OG-N 3.46Å; S139-Q284 PolarHBondContact OG-O 3.16Å
140S97.9Very high89.1Confident1 Ų153.5 Ų53.51%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-134.3139.9179.8-66.10000111.9V129 L138 L162 T163V129-S140 PolarHBondContact N-O 2.83Å; V129-S140 PolarHBondContact O-N 2.81Å; L138-S140 WeakPolarHBondContact CD1-OG 3.47Å; S140-L162 CarbonylContact C-O 3.58Å; S140-L162 WeakPolarHBondContact CA-O 3.25Å; S140-T163 WeakPolarHBondContact OG-CG2 3.35Å; S140-T163 PolarHBondContact OG-OG1 2.71Å
141L97.7Very high87.2Confident1 Ų159.5 Ų59.51%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-98.4121.6171.2-62.2-179.2000108.9F99 W126 L127 L128 V161 L162 L281F99-L141 HydrophobicContact CB-CD2 4.19Å; F99-L141 HydrophobicContact CD1-CD1 4.34Å; F99-L141 HydrophobicContact CD1-CD2 3.89Å; F99-L141 HydrophobicContact CD2-CD2 3.71Å; F99-L141 HydrophobicContact CE1-CD1 3.92Å; F99-L141 HydrophobicContact CE1-CD2 4.18Å; F99-L141 HydrophobicContact CE2-CD2 4.01Å; F99-L141 HydrophobicContact CG-CD2 3.64Å; F99-L141 HydrophobicContact CZ-CD1 4.04Å; F99-L141 HydrophobicContact CZ-CD2 4.24Å; W126-L141 HydrophobicContact CE3-CB 4.37Å; W126-L141 HydrophobicContact CZ3-CB 4.46Å; L127-L141 CarbonylContact O-C 3.59Å; L127-L141 WeakPolarHBondContact O-CA 3.46Å; L128-L141 HydrophobicContact CB-CD2 4.19Å; L128-L141 HydrophobicContact CD1-CD2 3.67Å; L141-V161 PolarHBondContact O-N 3.03Å; L141-L162 HydrophobicContact CB-CB 4.25Å; L141-L162 HydrophobicContact CD1-CB 4.22Å; L141-L162 HydrophobicContact CD1-CD2 4Å; L141-L162 HydrophobicContact CG-CB 4.37Å; L141-L162 PolarHBondContact N-O 3.23Å; L141-L281 HydrophobicContact CD1-CB 3.9Å; L141-L281 HydrophobicContact CD1-CD2 4.03Å; L141-L281 HydrophobicContact CD1-CG 4.41Å
142L95.7Very high85.9Confident0 Ų064.5 Ų64.50%034%0.338CS..EExtended strand (participates in β ladder)trans-116.2141-178.5-78.369.1000109.5L48 L127 V129 P144 A158 T159 V160L48-L142 HydrophobicContact CD2-CD2 3.98Å; L127-L142 HydrophobicContact CB-CB 4.28Å; L127-L142 PolarHBondContact N-O 2.85Å; L127-L142 PolarHBondContact O-N 2.78Å; V129-L142 HydrophobicContact CB-CD1 4.19Å; V129-L142 HydrophobicContact CG2-CD1 3.64Å; V129-L142 HydrophobicContact CG2-CD2 4.01Å; V129-L142 HydrophobicContact CG2-CG 4.35Å; L142-P144 WeakPolarHBondContact O-CD 3.26Å; L142-A158 HydrophobicContact CB-CB 4.34Å; L142-A158 HydrophobicContact CD2-CB 4.01Å; L142-T159 CarbonylContact C-O 3.48Å; L142-T159 WeakPolarHBondContact CA-O 3.37Å; L142-V160 HydrophobicContact CD1-CG2 4.21Å; L142-V160 HydrophobicContact CG-CG2 4.02Å
143R93.7Very high85Confident51 Ų5163.3 Ų63.319%0.19233%0.329CS..EExtended strand (participates in β ladder)trans-108.3101.5171.4-164.7171.966.9-170.9-2.7109.4A121 A158 T159 V161 S190A121-R143 PolarHBondContact O-NH1 2.64Å; R143-A158 WeakPolarHBondContact O-CA 3.32Å; R143-T159 PolarHBondContact N-O 3.45Å; R143-T159 PolarHBondContact O-N 2.92Å; R143-V161 HydrophobicContact CB-CG2 4.31Å; R143-S190 PolarHBondContact NH1-OG 3.22Å; R143-S190 PolarHBondContact NH2-OG 2.92Å
144P92.2Very high84.5Confident20 Ų2065.1 Ų65.113%0.1334%0.339CS..EExtended strand (participates in β ladder)trans-65.9145.5172.928.3-36.3000111.2F69 D125 L127 L142 T156 M157F69-P144 HydrophobicContact CD1-CB 4.47Å; F69-P144 HydrophobicContact CE1-CB 3.96Å; D125-P144 HydrophobicContact CB-CG 4.03Å; D125-P144 WeakPolarHBondContact O-CD 3.34Å; L127-P144 HydrophobicContact CD1-CB 4.29Å; L127-P144 HydrophobicContact CD1-CG 3.94Å; L127-P144 HydrophobicContact CG-CG 4.15Å; L142-P144 WeakPolarHBondContact O-CD 3.26Å; P144-T156 HydrophobicContact CB-CG2 4.05Å; P144-M157 CarbonylContact C-O 3.57Å; P144-M157 WeakPolarHBondContact CA-O 3.47Å
145Q85.9Confident84.3Confident100 Ų10059.8 Ų59.847%0.46731%0.306SS..  trans-73.8145.8169.7-67.2-16512.200110.7E147 M157Q145-E147 VanDerWaalsContact C-N 3.28Å; Q145-E147 PolarHBondContact O-N 2.79Å; Q145-M157 HydrophobicContact CG-CB 4.05Å; Q145-M157 PolarHBondContact N-O 3.5Å
146P76.4Confident84.2Confident133 Ų13356.9 Ų56.986%0.86429%0.291SS*.SBendtrans-62.1-33.2-174.7-22.532.6000113.9
147E73.7Confident83.9Confident156 Ų15657.6 Ų57.673%0.72930%0.295SS*.SBendtrans-114.3129.1-178.7-69.8-178.6173.500110.3Q145 L149Q145-E147 VanDerWaalsContact C-N 3.28Å; Q145-E147 PolarHBondContact O-N 2.79Å; E147-L149 PolarHBondContact O-N 3.32Å
148P72.1Confident83.8Confident43 Ų4357.2 Ų57.228%0.27929%0.292SS..  trans-60133.6173.5-21.431.7000110.5R150 V154 I155P148-R150 PolarHBondContact O-N 3.15Å; P148-V154 HydrophobicContact CB-CG1 3.67Å; P148-V154 HydrophobicContact CG-CG1 4.34Å; P148-I155 CarbonylContact C-O 3.55Å
149L69.6Low83.7Confident89 Ų8958.5 Ų58.547%0.46630%0.3SS..EExtended strand (participates in β ladder)trans-65.6126.2174.1-172.165.7000108.4E147 I155 M157E147-L149 PolarHBondContact O-N 3.32Å; L149-I155 PolarHBondContact N-O 2.86Å; L149-I155 PolarHBondContact O-N 2.81Å; L149-M157 HydrophobicContact CB-CG 4.39Å; L149-M157 HydrophobicContact CD2-CG 4.29Å
150R62.3Low83.6Confident201 Ų20158.5 Ų58.576%0.75830%0.3SS*.EExtended strand (participates in β ladder)trans-101.9104.8173.6-72.8-177.7173.7171.3-0.6108.2P148P148-R150 PolarHBondContact O-N 3.15Å
151E58.2Low83.5Confident170 Ų17058.9 Ų58.979%0.79430%0.303SS*.SBendtrans155.5127.4150.6-88.7166.6-163.700110.4
152P68.1Low83.5Confident106 Ų10658.9 Ų58.969%0.68830%0.303SS*.SBendcis-83.6-3.3-14.633.8-33.5000114.3
153V77.6Confident83.6Confident27 Ų2759 Ų5916%0.16430%0.303CS..SBendtrans-127.6147.2179.5178.50000108.7P57 P59 Y68 I155P57-V153 HydrophobicContact CG-CB 4.29Å; P57-V153 WeakPolarHBondContact O-CG2 3.4Å; P59-V153 HydrophobicContact CB-CG2 4.07Å; Y68-V153 HydrophobicContact CD1-CG1 4.46Å; Y68-V153 HydrophobicContact CE1-CG1 4.15Å; V153-I155 PolarHBondContact O-N 2.89Å
154V83.3Confident83.8Confident61 Ų6156.6 Ų56.637%0.3729%0.294SS..EExtended strand (participates in β ladder)trans-72.3108.1173.2-169.90000108.3P65 P148P65-V154 HydrophobicContact CB-CB 3.8Å; P65-V154 HydrophobicContact CB-CG1 3.39Å; P65-V154 HydrophobicContact CG-CB 4.22Å; P65-V154 HydrophobicContact CG-CG1 4.1Å; P148-V154 HydrophobicContact CB-CG1 3.67Å; P148-V154 HydrophobicContact CG-CG1 4.34Å
155I86.4Confident84.1Confident4 Ų455.8 Ų55.82%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-141.4139.3-176.8-169.7167.8000109.6L49 P57 Y68 K70 P148 L149 V153L49-I155 HydrophobicContact CB-CD1 4.28Å; L49-I155 HydrophobicContact CD2-CD1 3.65Å; P57-I155 HydrophobicContact CB-CD1 4.01Å; Y68-I155 HydrophobicContact CD1-CB 4.01Å; Y68-I155 HydrophobicContact CD1-CD1 3.85Å; Y68-I155 HydrophobicContact CD1-CG1 3.74Å; Y68-I155 HydrophobicContact CD2-CD1 4.2Å; Y68-I155 HydrophobicContact CD2-CG1 4.39Å; Y68-I155 HydrophobicContact CE1-CB 4.24Å; Y68-I155 HydrophobicContact CE1-CD1 3.52Å; Y68-I155 HydrophobicContact CE1-CG1 3.94Å; Y68-I155 HydrophobicContact CE2-CD1 3.9Å; Y68-I155 HydrophobicContact CG-CD1 4.18Å; Y68-I155 HydrophobicContact CG-CG1 3.98Å; Y68-I155 WeakPolarHBondContact O-CG1 3.39Å; K70-I155 HydrophobicContact CB-CD1 3.63Å; K70-I155 HydrophobicContact CB-CG1 3.98Å; P148-I155 CarbonylContact C-O 3.55Å; L149-I155 PolarHBondContact N-O 2.86Å; L149-I155 PolarHBondContact O-N 2.81Å; V153-I155 PolarHBondContact O-N 2.89Å
156T90Very high84.6Confident7 Ų751 Ų514%0.04327%0.267CS..EExtended strand (participates in β ladder)trans-92.4122.1-179-54.10000109.5P65 Y68 F69 K70 P144P65-T156 PolarHBondContact O-OG1 3.07Å; P65-T156 VanDerWaalsContact O-OG1 3.08Å; Y68-T156 PolarHBondContact O-N 2.95Å; F69-T156 CarbonylContact C-O 3.53Å; F69-T156 WeakPolarHBondContact CA-O 3.37Å; F69-T156 HydrophobicContact CD1-CG2 3.98Å; F69-T156 HydrophobicContact CE1-CG2 3.94Å; K70-T156 PolarHBondContact N-O 2.98Å; P144-T156 HydrophobicContact CB-CG2 4.05Å
157M90.4Very high85.5Confident25 Ų2548.6 Ų48.612%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-70.6134.8172-73.1-61.9-50.700109.4K70 D72 P144 Q145 L149K70-M157 HydrophobicContact CB-CE 4.31Å; K70-M157 HydrophobicContact CB-SD 3.52Å; K70-M157 VanDerWaalsContact CB-SD 3.52Å; K70-M157 HydrophobicContact CD-CE 4.23Å; K70-M157 HydrophobicContact CD-SD 3.41Å; K70-M157 WeakPolarHBondContact CD-SD 3.19Å; K70-M157 HydrophobicContact CG-CE 3.9Å; K70-M157 HydrophobicContact CG-SD 3.45Å; K70-M157 WeakPolarHBondContact CG-SD 3.49Å; D72-M157 HydrophobicContact CB-CE 3.74Å; P144-M157 CarbonylContact C-O 3.57Å; P144-M157 WeakPolarHBondContact CA-O 3.47Å; Q145-M157 HydrophobicContact CG-CB 4.05Å; Q145-M157 PolarHBondContact N-O 3.5Å; L149-M157 HydrophobicContact CB-CG 4.39Å; L149-M157 HydrophobicContact CD2-CG 4.29Å
158A93.4Very high86.6Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-132.5118.4175.100000110.4F69 K70 D72 L142 R143F69-A158 HydrophobicContact CB-CB 4.25Å; F69-A158 HydrophobicContact CD1-CB 3.96Å; F69-A158 HydrophobicContact CG-CB 4.42Å; K70-A158 PolarHBondContact O-N 3.2Å; D72-A158 PolarHBondContact N-O 3.37Å; L142-A158 HydrophobicContact CB-CB 4.34Å; L142-A158 HydrophobicContact CD2-CB 4.01Å; R143-A158 WeakPolarHBondContact O-CA 3.32Å
159T94.6Very high87.7Confident30 Ų3043.3 Ų43.318%0.18422%0.219CC..EExtended strand (participates in β ladder)trans-89.2128.3179.6-58.60000110D72 P74 L142 R143D72-T159 CarbonylContact O-C 3.51Å; D72-T159 VanDerWaalsContact O-CA 3.29Å; D72-T159 WeakPolarHBondContact O-CA 3.49Å; D72-T159 WeakPolarHBondContact OD2-CG2 3.34Å; D72-T159 PolarHBondContact OD2-OG1 3.4Å; P74-T159 HydrophobicContact CG-CG2 3.9Å; L142-T159 CarbonylContact C-O 3.48Å; L142-T159 WeakPolarHBondContact CA-O 3.37Å; R143-T159 PolarHBondContact N-O 3.45Å; R143-T159 PolarHBondContact O-N 2.92Å
160V96.3Very high88.9Confident3 Ų341.5 Ų41.52%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-76.3126.9175.4-176.90000109V71 D72 D73 L78 L142 T163V71-V160 HydrophobicContact CG1-CG2 3.86Å; D72-V160 WeakPolarHBondContact O-CG2 2.94Å; D72-V160 PolarHBondContact O-N 3.22Å; D73-V160 HydrophobicContact CB-CB 4.34Å; D73-V160 HydrophobicContact CB-CG2 4Å; L78-V160 HydrophobicContact CD2-CG2 3.6Å; L142-V160 HydrophobicContact CD1-CG2 4.21Å; L142-V160 HydrophobicContact CG-CG2 4.02Å; V160-T163 VanDerWaalsContact CG1-OG1 3.22Å; V160-T163 WeakPolarHBondContact CG1-OG1 3.47Å
161V95.6Very high90.5Very high10 Ų1032 Ų326%0.06118%0.181CC..EExtended strand (participates in β ladder)trans-105.1-46.5-178.6176.80000111.2W126 L141 R143 Y187 A188 L281W126-V161 HydrophobicContact CH2-CB 4.25Å; W126-V161 HydrophobicContact CH2-CG1 3.97Å; W126-V161 HydrophobicContact CH2-CG2 3.93Å; W126-V161 HydrophobicContact CZ3-CB 3.81Å; W126-V161 HydrophobicContact CZ3-CG1 3.91Å; W126-V161 HydrophobicContact CZ3-CG2 3.71Å; L141-V161 PolarHBondContact O-N 3.03Å; R143-V161 HydrophobicContact CB-CG2 4.31Å; V161-Y187 HydrophobicContact CG1-CD2 4.21Å; V161-Y187 HydrophobicContact CG1-CE2 3.79Å; V161-Y187 CarbonylContact O-C 3.58Å; V161-Y187 WeakPolarHBondContact O-CA 3.41Å; V161-Y187 VanDerWaalsContact O-CD2 3.28Å; V161-Y187 WeakPolarHBondContact O-CD2 3.45Å; V161-A188 PolarHBondContact O-N 3.4Å; V161-L281 HydrophobicContact CG1-CD1 3.9Å
162L97.3Very high92.2Very high1 Ų131.1 Ų31.11%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-132.1132.5178.4172.362.4000108.5S140 L141 V164 A186 L278 L281S140-L162 CarbonylContact C-O 3.58Å; S140-L162 WeakPolarHBondContact CA-O 3.25Å; L141-L162 HydrophobicContact CB-CB 4.25Å; L141-L162 HydrophobicContact CD1-CB 4.22Å; L141-L162 HydrophobicContact CD1-CD2 4Å; L141-L162 HydrophobicContact CG-CB 4.37Å; L141-L162 PolarHBondContact N-O 3.23Å; L162-V164 HydrophobicContact CD1-CG2 4.26Å; L162-V164 HydrophobicContact CG-CG2 4.32Å; L162-A186 CarbonylContact C-O 3.52Å; L162-A186 WeakPolarHBondContact CA-O 3.25Å; L162-A186 WeakPolarHBondContact CD1-O 3.44Å; L162-L278 HydrophobicContact CD1-CD1 3.78Å; L162-L278 HydrophobicContact CD2-CD1 4.24Å; L162-L278 HydrophobicContact CG-CD1 4.44Å; L162-L281 HydrophobicContact CD2-CB 4.47Å
163T98.3Very high93.6Very high2 Ų227 Ų271%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-124.3133.8168.1-64.80000109.1M77 S139 S140 V160 F185 A186M77-T163 HydrophobicContact CB-CG2 4.17Å; M77-T163 HydrophobicContact CG-CG2 3.8Å; M77-T163 HydrophobicContact SD-CG2 3.88Å; S139-T163 CarbonylContact O-C 3.59Å; S139-T163 WeakPolarHBondContact O-CA 3.36Å; S140-T163 WeakPolarHBondContact OG-CG2 3.35Å; S140-T163 PolarHBondContact OG-OG1 2.71Å; V160-T163 VanDerWaalsContact CG1-OG1 3.22Å; V160-T163 WeakPolarHBondContact CG1-OG1 3.47Å; T163-F185 CarbonylContact O-C 3.6Å; T163-F185 WeakPolarHBondContact O-CA 3.33Å; T163-F185 VanDerWaalsContact O-CB 3.27Å; T163-F185 WeakPolarHBondContact O-CB 3.43Å; T163-A186 PolarHBondContact N-O 2.57Å; T163-A186 PolarHBondContact O-N 3.05Å
164V98.4Very high94.4Very high0 Ų030 Ų300%016%0.155CC..EExtended strand (participates in β ladder)trans-120.4128.1170-176.10000107L138 S139 L162 L183 F185 V276 V285L138-V164 CarbonylContact C-O 3.46Å; L138-V164 WeakPolarHBondContact CA-O 3.5Å; S139-V164 PolarHBondContact N-O 2.91Å; S139-V164 PolarHBondContact O-N 3.06Å; L162-V164 HydrophobicContact CD1-CG2 4.26Å; L162-V164 HydrophobicContact CG-CG2 4.32Å; V164-L183 HydrophobicContact CG1-CD1 3.65Å; V164-L183 HydrophobicContact CG1-CG 4.41Å; V164-F185 HydrophobicContact CG2-CB 4.17Å; V164-V276 HydrophobicContact CG1-CG2 4.08Å; V164-V276 HydrophobicContact CG2-CB 3.89Å; V164-V276 HydrophobicContact CG2-CG2 3.98Å; V164-V285 HydrophobicContact CB-CG1 4.21Å; V164-V285 HydrophobicContact CG1-CG1 3.92Å; V164-V285 HydrophobicContact CG1-CG2 4.01Å; V164-V285 WeakPolarHBondContact O-CG1 3.32Å
165L97.9Very high95Very high4 Ų427.9 Ų27.92%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-136.7140.1-169.4174.567.6000110.3M77 A81 F136 L138 L183 R184M77-L165 HydrophobicContact CG-CB 4.44Å; M77-L165 HydrophobicContact CG-CD2 4.03Å; M77-L165 HydrophobicContact SD-CB 4.02Å; M77-L165 HydrophobicContact SD-CD2 4.45Å; A81-L165 HydrophobicContact CB-CD1 4.19Å; A81-L165 HydrophobicContact CB-CD2 4.1Å; F136-L165 HydrophobicContact CB-CD1 3.92Å; F136-L165 HydrophobicContact CD2-CD1 4.24Å; F136-L165 HydrophobicContact CG-CD1 4.13Å; L138-L165 HydrophobicContact CB-CD1 3.76Å; L165-L183 WeakPolarHBondContact O-CA 3.36Å; L165-R184 PolarHBondContact N-O 2.87Å; L165-R184 PolarHBondContact O-N 3.35Å; L165-R184 VanDerWaalsContact O-O 3.12Å
166T97.6Very high95.3Very high0 Ų029.7 Ų29.70%016%0.162CC..EExtended strand (participates in β ladder)trans-124.9128.9164178.80000109.9F136 S137 N168 D182 V285 L287F136-T166 WeakPolarHBondContact CA-O 3.22Å; F136-T166 WeakPolarHBondContact CB-O 3.48Å; S137-T166 PolarHBondContact N-O 3.06Å; S137-T166 WeakPolarHBondContact O-CG2 3.34Å; S137-T166 PolarHBondContact O-N 3.08Å; T166-N168 VanDerWaalsContact C-N 3.27Å; T166-N168 PolarHBondContact OG1-N 2.93Å; T166-D182 WeakPolarHBondContact CB-O 3.27Å; T166-D182 PolarHBondContact OG1-O 2.78Å; T166-V285 HydrophobicContact CG2-CB 4.29Å; T166-V285 HydrophobicContact CG2-CG2 4.17Å; T166-L287 HydrophobicContact CG2-CD1 4.15Å; T166-L287 HydrophobicContact CG2-CD2 4.33Å; T166-L287 HydrophobicContact CG2-CG 3.96Å; T166-L287 WeakPolarHBondContact OG1-CD2 3.46Å
167H95.3Very high95.6Very high82 Ų8235.2 Ų35.238%0.3819%0.185SC..SBendtrans-83-3.8177.9-60.687.8000113.2L135 D182L135-H167 CarbonylContact O-C 3.52Å; H167-D182 WeakPolarHBondContact CB-OD2 3.36Å; H167-D182 IonicContact CE1-OD2 2.88Å; H167-D182 IonicContact CG-OD2 3.33Å; H167-D182 PolarHBondContact N-OD2 3.08Å; H167-D182 IonicContact ND1-OD2 3.47Å; H167-D182 PolarHBondContact ND1-OD2 3.41Å
168N95.1Very high95.9Very high72 Ų7237.8 Ų37.839%0.38520%0.199SC..  trans-137.483179.3-1716.4000109.5T166 A170 P171T166-N168 VanDerWaalsContact C-N 3.27Å; T166-N168 PolarHBondContact OG1-N 2.93Å; N168-A170 VanDerWaalsContact C-N 3.26Å; N168-A170 PolarHBondContact O-N 3.09Å; N168-P171 WeakPolarHBondContact ND2-CB 3.5Å; N168-P171 WeakPolarHBondContact O-CD 3.23Å
169P95.3Very high96.1Very high15 Ų1537.8 Ų37.810%0.09720%0.199CC..SBendtrans-73.4-17.6-174.929.4-33.5000112.8S133 L287 E288S133-P169 VanDerWaalsContact O-CG 3.24Å; S133-P169 WeakPolarHBondContact O-CG 3.28Å; P169-L287 CarbonylContact O-C 3.48Å; P169-L287 VanDerWaalsContact O-CA 3.26Å; P169-L287 WeakPolarHBondContact O-CA 3.39Å; P169-E288 PolarHBondContact O-N 2.81Å
170A95.8Very high96.2Very high51 Ų5140.4 Ų40.442%0.42122%0.215SC..SBendtrans-132.366.317900000111.6N168 R172 E288N168-A170 VanDerWaalsContact C-N 3.26Å; N168-A170 PolarHBondContact O-N 3.09Å; A170-R172 PolarHBondContact O-N 3.42Å; A170-E288 CarbonylContact C-O 3.46Å; A170-E288 WeakPolarHBondContact CA-O 3.39Å
171P95.8Very high96.3Very high2 Ų240.3 Ų40.31%0.01322%0.215CC..  trans-64.3130.3-175.821.4-26.5000111.4N168 L181 E288 L289 T290N168-P171 WeakPolarHBondContact ND2-CB 3.5Å; N168-P171 WeakPolarHBondContact O-CD 3.23Å; P171-L181 HydrophobicContact CB-CD2 4.12Å; P171-L181 HydrophobicContact CG-CD2 3.6Å; P171-E288 WeakPolarHBondContact CD-O 3.44Å; P171-L289 HydrophobicContact CB-CD1 4.22Å; P171-L289 HydrophobicContact CG-CB 4.44Å; P171-L289 HydrophobicContact CG-CD1 4.07Å; P171-T290 PolarHBondContact O-N 3.22Å; P171-T290 PolarHBondContact O-OG1 2.96Å
172R94.7Very high96.3Very high152 Ų15241.6 Ų41.657%0.57422%0.221SC*.EExtended strand (participates in β ladder)trans-107.9110.8175.8-55.2-17264.9-178.4-4.2109.6A170 T290A170-R172 PolarHBondContact O-N 3.42Å; R172-T290 CarbonylContact C-O 3.51Å; R172-T290 WeakPolarHBondContact CA-O 3.18Å; R172-T290 WeakPolarHBondContact CG-OG1 3.26Å
173V95.9Very high96.4Very high18 Ų1841.6 Ų41.611%0.10922%0.221CC..EExtended strand (participates in β ladder)trans-115.7143.1-173.1-177.60000110.8K177 A179 V264 L289 T290 V291 H292V173-K177 HydrophobicContact CG1-CB 4.42Å; V173-A179 HydrophobicContact CB-CB 4.33Å; V173-A179 HydrophobicContact CG1-CB 4.09Å; V173-A179 HydrophobicContact CG2-CB 3.76Å; V173-V264 HydrophobicContact CG1-CG2 4.43Å; V173-L289 HydrophobicContact CB-CD1 4.21Å; V173-L289 HydrophobicContact CG2-CD1 3.69Å; V173-T290 PolarHBondContact N-O 2.99Å; V173-V291 CarbonylContact O-C 3.58Å; V173-V291 VanDerWaalsContact O-CA 3.27Å; V173-V291 WeakPolarHBondContact O-CA 3.49Å; V173-H292 PolarHBondContact O-N 3.48Å; V173-H292 PolarHBondContact O-ND1 2.81Å
174Q95.4Very high96.4Very high90 Ų9044.4 Ų44.442%0.42123%0.231SC..EExtended strand (participates in β ladder)trans-74.7135.1177.4-173.1179.911.800110.4G176 K177 H292Q174-G176 PolarHBondContact O-N 2.98Å; Q174-K177 HydrophobicContact CB-CB 4.32Å; Q174-K177 HydrophobicContact CB-CG 3.82Å; Q174-K177 HydrophobicContact CG-CG 4.28Å; Q174-K177 VanDerWaalsContact O-CB 3.31Å; Q174-K177 WeakPolarHBondContact O-CB 3.31Å; Q174-K177 PolarHBondContact O-N 3.08Å; Q174-H292 CarbonylContact C-O 3.59Å; Q174-H292 WeakPolarHBondContact CA-O 3.37Å
175L95.3Very high96.3Very high17 Ų1744.4 Ų44.49%0.08923%0.231CC..THydrogen-bonded Turntrans-53.4128.8177.1-172.8160.1000111.1K177 P266 V291 H292 K293 F324 D360L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 2.64Å; L175-P266 HydrophobicContact CD1-CG 3.64Å; L175-V291 HydrophobicContact CB-CG1 3.65Å; L175-V291 HydrophobicContact CD1-CG1 4.44Å; L175-V291 HydrophobicContact CG-CG1 4.2Å; L175-H292 PolarHBondContact N-O 2.87Å; L175-K293 HydrophobicContact CB-CB 4.02Å; L175-K293 HydrophobicContact CB-CD 4.09Å; L175-K293 HydrophobicContact CB-CG 4.42Å; L175-K293 HydrophobicContact CD1-CD 4.32Å; L175-K293 HydrophobicContact CD2-CD 4.2Å; L175-K293 HydrophobicContact CG-CD 4.45Å; L175-F324 HydrophobicContact CD1-CB 4.11Å; L175-F324 HydrophobicContact CD1-CG 4.4Å; L175-D360 HydrophobicContact CD2-CB 4.31Å
176G93.9Very high96.3Very high43 Ų4344.2 Ų44.244%0.44323%0.231SC..THydrogen-bonded Turntrans80.40.2-179.100000114.6Q174 V264Q174-G176 PolarHBondContact O-N 2.98Å; G176-V264 PolarHBondContact N-O 2.82Å
177K95.8Very high96.2Very high122 Ų12245.3 Ų45.353%0.5324%0.235SC..SBendtrans-92.7163.9167.2-62.2-61.8-171.9173.90110.5V173 Q174 L175 V264V173-K177 HydrophobicContact CG1-CB 4.42Å; Q174-K177 HydrophobicContact CB-CB 4.32Å; Q174-K177 HydrophobicContact CB-CG 3.82Å; Q174-K177 HydrophobicContact CG-CG 4.28Å; Q174-K177 VanDerWaalsContact O-CB 3.31Å; Q174-K177 WeakPolarHBondContact O-CB 3.31Å; Q174-K177 PolarHBondContact O-N 3.08Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 2.64Å; K177-V264 WeakPolarHBondContact O-CG2 3.19Å; K177-V264 PolarHBondContact O-N 2.76Å
178D97.2Very high96.1Very high79 Ų7941.8 Ų41.842%0.42222%0.22SC..PPolyproline II helixtrans-77.8138.1176.6-57.1-14000109.8W260 L261 P262 A263D178-W260 WeakPolarHBondContact OD2-CZ2 3.31Å; D178-W260 PolarHBondContact OD2-NE1 3.41Å; D178-L261 CarbonylContact C-O 3.5Å; D178-L261 WeakPolarHBondContact CA-O 3.28Å; D178-P262 VanDerWaalsContact OD1-CA 3.3Å; D178-P262 WeakPolarHBondContact OD1-CA 3.11Å; D178-A263 PolarHBondContact OD1-N 2.99Å
179A96.6Very high95.5Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-94.6132.4170.200000110.1V173 L181 W260 L261 V264 L289V173-A179 HydrophobicContact CB-CB 4.33Å; V173-A179 HydrophobicContact CG1-CB 4.09Å; V173-A179 HydrophobicContact CG2-CB 3.76Å; A179-L181 HydrophobicContact CB-CD2 4.27Å; A179-W260 WeakPolarHBondContact O-CA 3.49Å; A179-L261 HydrophobicContact CB-CB 4.29Å; A179-L261 PolarHBondContact N-O 3.48Å; A179-L261 PolarHBondContact O-N 3.49Å; A179-V264 HydrophobicContact CB-CG2 3.52Å; A179-L289 HydrophobicContact CB-CD1 4.32Å
180V97.1Very high94.2Very high86 Ų8640.2 Ų40.252%0.52121%0.214SC..EExtended strand (participates in β ladder)trans-113.6108.5170.1-176.40000107.2F259V180-F259 CarbonylContact C-O 3.55Å; V180-F259 WeakPolarHBondContact CA-O 3.26Å
181L97.6Very high92.5Very high1 Ų143 Ų431%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-95110.8178.7-48.5-174.2000108.3P171 A179 W209 T258 F259 Y272 L287 L289P171-L181 HydrophobicContact CB-CD2 4.12Å; P171-L181 HydrophobicContact CG-CD2 3.6Å; A179-L181 HydrophobicContact CB-CD2 4.27Å; L181-W209 HydrophobicContact CB-CH2 3.66Å; L181-W209 HydrophobicContact CB-CZ2 4.39Å; L181-W209 HydrophobicContact CB-CZ3 4.09Å; L181-W209 HydrophobicContact CD1-CE3 4.34Å; L181-W209 HydrophobicContact CD1-CH2 4.16Å; L181-W209 HydrophobicContact CD1-CZ3 3.69Å; L181-T258 CarbonylContact O-C 3.55Å; L181-T258 VanDerWaalsContact O-CA 3.31Å; L181-T258 WeakPolarHBondContact O-CA 2.97Å; L181-F259 HydrophobicContact CB-CB 4.19Å; L181-F259 HydrophobicContact CD1-CD1 3.66Å; L181-F259 HydrophobicContact CD1-CE1 4.29Å; L181-F259 HydrophobicContact CG-CD1 4.02Å; L181-F259 PolarHBondContact N-O 3.33Å; L181-F259 PolarHBondContact O-N 3.47Å; L181-Y272 HydrophobicContact CD1-CD1 3.61Å; L181-Y272 HydrophobicContact CD1-CD2 4.5Å; L181-Y272 HydrophobicContact CD1-CE1 4.09Å; L181-Y272 HydrophobicContact CD1-CG 3.84Å; L181-L287 HydrophobicContact CB-CD2 4.05Å; L181-L289 HydrophobicContact CD2-CD1 4.12Å
182D96.6Very high90.4Very high37 Ų3749.5 Ų49.520%0.19827%0.271CS..  trans-66.7133.8-177.5177.962.1000111.7T166 H167T166-D182 WeakPolarHBondContact CB-O 3.27Å; T166-D182 PolarHBondContact OG1-O 2.78Å; H167-D182 WeakPolarHBondContact CB-OD2 3.36Å; H167-D182 IonicContact CE1-OD2 2.88Å; H167-D182 IonicContact CG-OD2 3.33Å; H167-D182 PolarHBondContact N-OD2 3.08Å; H167-D182 IonicContact ND1-OD2 3.47Å; H167-D182 PolarHBondContact ND1-OD2 3.41Å
183L98.3Very high88.5Confident0 Ų047.1 Ų47.10%027%0.267CS..  trans-151123.5173.9-171.877.5000109.7V164 L165 L207 W209 N256 G257 T258 A274 V276 V285V164-L183 HydrophobicContact CG1-CD1 3.65Å; V164-L183 HydrophobicContact CG1-CG 4.41Å; L165-L183 WeakPolarHBondContact O-CA 3.36Å; L183-L207 HydrophobicContact CD2-CD1 3.63Å; L183-W209 HydrophobicContact CB-CH2 4.49Å; L183-W209 HydrophobicContact CB-CZ2 3.82Å; L183-W209 HydrophobicContact CD2-CZ2 3.93Å; L183-W209 HydrophobicContact CG-CZ2 4.33Å; L183-N256 PolarHBondContact O-OD1 2.66Å; L183-G257 WeakPolarHBondContact CD2-O 3.44Å; L183-G257 PolarHBondContact O-N 3.22Å; L183-T258 PolarHBondContact O-N 2.79Å; L183-A274 HydrophobicContact CD1-CB 3.66Å; L183-A274 HydrophobicContact CD2-CB 3.8Å; L183-A274 HydrophobicContact CG-CB 4.33Å; L183-V276 HydrophobicContact CD2-CG2 4.22Å; L183-V285 HydrophobicContact CD1-CG2 3.38Å
184R98Very high86Confident61 Ų6149.7 Ų49.723%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-126.8146.9176.9-60.5-70.1-73.5167.10.5108.1M77 L165 D245 G255M77-R184 HydrophobicContact CE-CB 3.86Å; M77-R184 HydrophobicContact SD-CB 4.39Å; L165-R184 PolarHBondContact N-O 2.87Å; L165-R184 PolarHBondContact O-N 3.35Å; L165-R184 VanDerWaalsContact O-O 3.12Å; R184-D245 IonicContact CZ-OD1 2.7Å; R184-D245 IonicContact CZ-OD2 3.84Å; R184-D245 VanDerWaalsContact CZ-OD2 3.27Å; R184-D245 IonicContact NH1-OD1 3.79Å; R184-D245 PolarHBondContact NH1-OD1 3Å; R184-D245 IonicContact NH1-OD2 3.35Å; R184-D245 PolarHBondContact NH1-OD2 3.49Å; R184-D245 IonicContact NH2-OD1 3.12Å; R184-D245 IonicContact NH2-OD2 3.92Å; R184-D245 PolarHBondContact NH2-OD2 3.16Å; R184-G255 WeakPolarHBondContact CA-O 3.38Å
185F98Very high83.5Confident0 Ų050.6 Ų50.60%031%0.313CS..EExtended strand (participates in β ladder)trans-141.9159.7174.263.8-84.4000111.1M77 T163 V164 F205 W244 T254 G255 N256 V276M77-F185 VanDerWaalsContact CE-C 3.44Å; M77-F185 VanDerWaalsContact CE-O 3.3Å; M77-F185 WeakPolarHBondContact CE-O 3.35Å; T163-F185 CarbonylContact O-C 3.6Å; T163-F185 WeakPolarHBondContact O-CA 3.33Å; T163-F185 VanDerWaalsContact O-CB 3.27Å; T163-F185 WeakPolarHBondContact O-CB 3.43Å; V164-F185 HydrophobicContact CG2-CB 4.17Å; F185-F205 HydrophobicContact CE1-CD2 4.28Å; F185-F205 AromaticContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CZ 4.06Å; F185-F205 HydrophobicContact CE2-CD1 4.47Å; F185-F205 HydrophobicContact CE2-CD2 4.25Å; F185-F205 HydrophobicContact CE2-CE2 4.44Å; F185-F205 HydrophobicContact CE2-CG 4.25Å; F185-F205 HydrophobicContact CZ-CD1 4.08Å; F185-F205 AromaticContact CZ-CD2 3.69Å; F185-F205 HydrophobicContact CZ-CD2 3.69Å; F185-F205 AromaticContact CZ-CE1 3.86Å; F185-F205 HydrophobicContact CZ-CE1 3.86Å; F185-F205 AromaticContact CZ-CE2 3.46Å; F185-F205 HydrophobicContact CZ-CE2 3.46Å; F185-F205 VanDerWaalsContact CZ-CE2 3.46Å; F185-F205 AromaticContact CZ-CG 3.98Å; F185-F205 HydrophobicContact CZ-CG 3.98Å; F185-F205 AromaticContact CZ-CZ 3.55Å; F185-F205 HydrophobicContact CZ-CZ 3.55Å; F185-W244 HydrophobicContact CD2-CH2 4.03Å; F185-W244 AromaticContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CE2-CD2 4.28Å; F185-W244 AromaticContact CE2-CE3 3.83Å; F185-W244 HydrophobicContact CE2-CE3 3.83Å; F185-W244 AromaticContact CE2-CH2 3.43Å; F185-W244 HydrophobicContact CE2-CH2 3.43Å; F185-W244 VanDerWaalsContact CE2-CH2 3.43Å; F185-W244 AromaticContact CE2-CZ2 3.9Å; F185-W244 HydrophobicContact CE2-CZ2 3.9Å; F185-W244 AromaticContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CZ-CE3 4.33Å; F185-W244 HydrophobicContact CZ-CH2 4.49Å; F185-W244 HydrophobicContact CZ-CZ3 4.3Å; F185-T254 CarbonylContact O-C 3.57Å; F185-T254 WeakPolarHBondContact O-CA 3.3Å; F185-G255 VanDerWaalsContact CE1-C 3.49Å; F185-G255 PolarHBondContact N-O 2.92Å; F185-G255 PolarHBondContact O-N 2.79Å; F185-N256 WeakPolarHBondContact CE1-O 3.34Å; F185-V276 HydrophobicContact CB-CG2 4.18Å; F185-V276 HydrophobicContact CD1-CG1 4.4Å; F185-V276 HydrophobicContact CD1-CG2 3.98Å; F185-V276 HydrophobicContact CD2-CG1 3.95Å; F185-V276 HydrophobicContact CE2-CG1 4.2Å; F185-V276 HydrophobicContact CG-CG1 4.06Å; F185-V276 HydrophobicContact CG-CG2 4.09Å
186A97.6Very high81.1Confident1 Ų153.1 Ų53.11%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-140.3141.6179.800000109.7A75 M77 L162 T163 W253 T254A75-A186 HydrophobicContact CB-CB 3.7Å; M77-A186 HydrophobicContact CB-CB 3.67Å; M77-A186 HydrophobicContact CE-CB 3.81Å; M77-A186 HydrophobicContact CG-CB 4.33Å; M77-A186 HydrophobicContact SD-CB 3.79Å; L162-A186 CarbonylContact C-O 3.52Å; L162-A186 WeakPolarHBondContact CA-O 3.25Å; L162-A186 WeakPolarHBondContact CD1-O 3.44Å; T163-A186 PolarHBondContact N-O 2.57Å; T163-A186 PolarHBondContact O-N 3.05Å; A186-W253 CarbonylContact C-O 3.49Å; A186-W253 VanDerWaalsContact CA-O 3.29Å; A186-W253 WeakPolarHBondContact CA-O 3.44Å; A186-T254 HydrophobicContact CB-CG2 4.09Å
187Y95.5Very high78.9Confident23 Ų2354.7 Ų54.79%0.0934%0.335CS..EExtended strand (participates in β ladder)trans-133.3128.6179.6175.9-117.6000110.5V161 P189 P203 W244 P252 W253 L278 L281V161-Y187 HydrophobicContact CG1-CD2 4.21Å; V161-Y187 HydrophobicContact CG1-CE2 3.79Å; V161-Y187 CarbonylContact O-C 3.58Å; V161-Y187 WeakPolarHBondContact O-CA 3.41Å; V161-Y187 VanDerWaalsContact O-CD2 3.28Å; V161-Y187 WeakPolarHBondContact O-CD2 3.45Å; Y187-P189 HydrophobicContact CE1-CB 4.22Å; Y187-P203 HydrophobicContact CD1-CG 3.85Å; Y187-P203 HydrophobicContact CE1-CG 3.72Å; Y187-W244 HydrophobicContact CD1-CH2 4.48Å; Y187-W244 HydrophobicContact CG-CH2 4.48Å; Y187-P252 CarbonylContact O-C 3.57Å; Y187-P252 WeakPolarHBondContact O-CA 3.5Å; Y187-P252 WeakPolarHBondContact O-CB 3.44Å; Y187-W253 AromaticContact CD1-CE3 3.79Å; Y187-W253 HydrophobicContact CD1-CE3 3.79Å; Y187-W253 AromaticContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CE1-CE3 4.34Å; Y187-W253 AromaticContact CE1-CZ3 3.99Å; Y187-W253 HydrophobicContact CE1-CZ3 3.99Å; Y187-W253 PolarHBondContact N-O 3.07Å; Y187-W253 PolarHBondContact O-N 3.35Å; Y187-L278 HydrophobicContact CD1-CD1 4.37Å; Y187-L278 HydrophobicContact CD2-CD1 3.44Å; Y187-L278 VanDerWaalsContact CD2-CD1 3.44Å; Y187-L278 HydrophobicContact CE2-CD1 4.01Å; Y187-L278 HydrophobicContact CG-CD1 3.66Å; Y187-L281 HydrophobicContact CE2-CD1 4.24Å
188A92.2Very high76.5Confident7 Ų755.7 Ų55.76%0.05835%0.345CS..  trans-114.8114174.100000109P74 V161 P252P74-A188 HydrophobicContact CB-CB 3.97Å; P74-A188 HydrophobicContact CG-CB 4.22Å; V161-A188 PolarHBondContact O-N 3.4Å; A188-P252 HydrophobicContact CB-CB 3.98Å
189P82.4Confident74.1Confident36 Ų3659.2 Ų59.223%0.23436%0.364CS..  trans-66.1151.8175.728.1-33.1000110.7Y187 W253Y187-P189 HydrophobicContact CE1-CB 4.22Å; P189-W253 HydrophobicContact CB-CZ3 4.31Å; P189-W253 HydrophobicContact CG-CH2 4.11Å; P189-W253 HydrophobicContact CG-CZ3 3.73Å
190S69.2Low72.7Confident18 Ų1861.3 Ų61.313%0.12638%0.381CS..  trans-79.1131178169.10000110R143 L192 E193R143-S190 PolarHBondContact NH1-OG 3.22Å; R143-S190 PolarHBondContact NH2-OG 2.92Å; S190-L192 PolarHBondContact O-N 2.79Å; S190-E193 PolarHBondContact O-N 2.81Å
191A58.7Low71.8Confident111 Ų11158.7 Ų58.792%0.91737%0.371SS*.THydrogen-bonded Turntrans-57.7-10.1177.800000115.4E193A191-E193 VanDerWaalsContact C-N 3.34Å
192L52.5Low71.5Confident137 Ų13760 Ų6072%0.71738%0.38SS*.THydrogen-bonded Turntrans-84.1-1.9175-70.9163.1000113.9S190 G194S190-L192 PolarHBondContact O-N 2.79Å; L192-G194 PolarHBondContact O-N 3.34Å
193E55.8Low71.2Confident103 Ų10359.7 Ų59.748%0.48138%0.38SS..SBendtrans-65.398.9169.3-73.3-175.2179.400109.1A121 S190 A191A121-E193 HydrophobicContact CB-CG 4.23Å; S190-E193 PolarHBondContact O-N 2.81Å; A191-E193 VanDerWaalsContact C-N 3.34Å
194G43.6Very low70.9Confident71 Ų7161.9 Ų61.973%0.73239%0.394SS*.  trans-60135.418000000111.9L192L192-G194 PolarHBondContact O-N 3.34Å
195S41.5Very low70.8Confident110 Ų11059 Ų5977%0.76938%0.383SS*.SBendtrans46.286.2174.4-176.10000114.5S197S195-S197 PolarHBondContact O-N 3.16Å
196P45.4Very low70.7Confident70 Ų7059 Ų5946%0.45538%0.383SS..  trans-57.7125.4166.428.8-41000111.8L198 W250P196-L198 PolarHBondContact O-N 2.85Å; P196-W250 HydrophobicContact CB-CE3 4.11Å; P196-W250 HydrophobicContact CB-CH2 3.25Å; P196-W250 HydrophobicContact CB-CZ3 2.96Å; P196-W250 HydrophobicContact CG-CE3 4.4Å; P196-W250 HydrophobicContact CG-CH2 3.2Å; P196-W250 HydrophobicContact CG-CZ3 3.11Å
197S47.2Very low70.7Confident76 Ų7658.9 Ų58.953%0.53138%0.383SS..  trans-62.1127.4158.550.10000107.6S195 D199 A200S195-S197 PolarHBondContact O-N 3.16Å; S197-D199 PolarHBondContact O-N 2.85Å; S197-A200 PolarHBondContact O-N 2.83Å; S197-A200 WeakPolarHBondContact OG-CB 3.4Å
198L45.3Very low70.8Confident142 Ų14258.6 Ų58.674%0.74338%0.382SS*.THydrogen-bonded Turntrans-55.7-5.8-177.3-130.983.2000114.8P196P196-L198 PolarHBondContact O-N 2.85Å
199D47.4Very low71Confident153 Ų15358.2 Ų58.282%0.81838%0.379SS*.THydrogen-bonded Turntrans-117.97.1-175.2-60.1-39.1000113.9S197 G201S197-D199 PolarHBondContact O-N 2.85Å; D199-G201 PolarHBondContact O-N 2.94Å; D199-G201 VanDerWaalsContact O-N 3.08Å
200A67.3Low71.6Confident44 Ų4460.3 Ų60.336%0.36438%0.382SS..  trans-83.486.6-176.700000111.4S197 P249S197-A200 PolarHBondContact O-N 2.83Å; S197-A200 WeakPolarHBondContact OG-CB 3.4Å; A200-P249 VanDerWaalsContact O-O 3.07Å
201G78.7Confident72.8Confident31 Ų3160.7 Ų60.732%0.3238%0.381SS..  trans-60-170.6162.200000112.4D199D199-G201 PolarHBondContact O-N 2.94Å; D199-G201 VanDerWaalsContact O-N 3.08Å
202P89.5Confident74.3Confident28 Ų2859.5 Ų59.518%0.18236%0.356CS..SBendtrans-60.6142.9-173.526.2-36.5000112.5W244 W253P202-W244 HydrophobicContact CB-CB 4.28Å; P202-W244 VanDerWaalsContact CB-CD1 3.46Å; P202-W244 HydrophobicContact CB-CD2 3.72Å; P202-W244 HydrophobicContact CB-CE3 4.46Å; P202-W244 HydrophobicContact CB-CG 3.59Å; P202-W244 HydrophobicContact CB-CZ2 4.38Å; P202-W244 HydrophobicContact CG-CB 3.91Å; P202-W244 VanDerWaalsContact CG-CD1 3.44Å; P202-W244 HydrophobicContact CG-CD2 4.3Å; P202-W244 HydrophobicContact CG-CG 3.63Å; P202-W253 HydrophobicContact CB-CB 4.31Å; P202-W253 HydrophobicContact CB-CD2 3.74Å; P202-W253 HydrophobicContact CB-CE3 4.42Å; P202-W253 HydrophobicContact CB-CG 3.68Å; P202-W253 HydrophobicContact CB-CZ2 4.48Å
203P90.4Very high75.3Confident31 Ų3157.2 Ų57.220%0.20134%0.342CS..PPolyproline II helixtrans-66152.8-177.428.4-35.5000111Y187 W244 L278Y187-P203 HydrophobicContact CD1-CG 3.85Å; Y187-P203 HydrophobicContact CE1-CG 3.72Å; P203-W244 HydrophobicContact CG-CZ2 4.28Å; P203-W244 PolarHBondContact O-NE1 3.3Å; P203-L278 HydrophobicContact CG-CD2 4.11Å
204P92.9Very high75.9Confident46 Ų4663 Ų6330%0.29936%0.359SS..PPolyproline II helixtrans-58.1144.1168.5-20.931.3000111.5L112 L227L112-P204 HydrophobicContact CD2-CB 4.19Å; P204-L227 HydrophobicContact CB-CD1 3.74Å; P204-L227 HydrophobicContact CB-CD2 4.39Å; P204-L227 HydrophobicContact CB-CG 3.58Å; P204-L227 HydrophobicContact CG-CD1 4.28Å; P204-L227 HydrophobicContact CG-CD2 4.12Å; P204-L227 HydrophobicContact CG-CG 3.86Å
205F95.4Very high77Confident0 Ų062.7 Ų62.70%036%0.357CS..  trans-130.5158.6177.573.4-83000110.4F185 L207 T224 P225 A242 W244 V276 H277 L278F185-F205 HydrophobicContact CE1-CD2 4.28Å; F185-F205 AromaticContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CE2 3.8Å; F185-F205 HydrophobicContact CE1-CZ 4.06Å; F185-F205 HydrophobicContact CE2-CD1 4.47Å; F185-F205 HydrophobicContact CE2-CD2 4.25Å; F185-F205 HydrophobicContact CE2-CE2 4.44Å; F185-F205 HydrophobicContact CE2-CG 4.25Å; F185-F205 HydrophobicContact CZ-CD1 4.08Å; F185-F205 AromaticContact CZ-CD2 3.69Å; F185-F205 HydrophobicContact CZ-CD2 3.69Å; F185-F205 AromaticContact CZ-CE1 3.86Å; F185-F205 HydrophobicContact CZ-CE1 3.86Å; F185-F205 AromaticContact CZ-CE2 3.46Å; F185-F205 HydrophobicContact CZ-CE2 3.46Å; F185-F205 VanDerWaalsContact CZ-CE2 3.46Å; F185-F205 AromaticContact CZ-CG 3.98Å; F185-F205 HydrophobicContact CZ-CG 3.98Å; F185-F205 AromaticContact CZ-CZ 3.55Å; F185-F205 HydrophobicContact CZ-CZ 3.55Å; F205-L207 HydrophobicContact CE2-CB 4.3Å; F205-T224 CarbonylContact O-C 3.58Å; F205-T224 VanDerWaalsContact O-CA 3.23Å; F205-T224 WeakPolarHBondContact O-CA 3.34Å; F205-P225 HydrophobicContact CD1-CB 4.32Å; F205-P225 HydrophobicContact CE1-CB 3.71Å; F205-P225 HydrophobicContact CE1-CG 3.83Å; F205-P225 HydrophobicContact CE2-CG 4.1Å; F205-P225 HydrophobicContact CZ-CB 4.01Å; F205-P225 HydrophobicContact CZ-CG 3.59Å; F205-P225 PolarHBondContact N-O 3.28Å; F205-P225 VanDerWaalsContact O-CD 3.22Å; F205-P225 WeakPolarHBondContact O-CD 3.39Å; F205-A242 HydrophobicContact CE2-CB 4.36Å; F205-A242 HydrophobicContact CZ-CB 4.18Å; F205-W244 HydrophobicContact CB-CZ2 4.31Å; F205-W244 HydrophobicContact CD1-CD2 4.46Å; F205-W244 AromaticContact CD1-CE2 3.71Å; F205-W244 HydrophobicContact CD1-CZ2 4.09Å; F205-W244 AromaticContact CD1-NE1 3.4Å; F205-W244 HydrophobicContact CE1-CG 4.44Å; F205-W244 AromaticContact CE1-NE1 3.85Å; F205-W244 HydrophobicContact CG-CZ2 4.47Å; F205-V276 HydrophobicContact CD2-CG1 4.24Å; F205-H277 CarbonylContact C-O 3.54Å; F205-H277 VanDerWaalsContact CA-O 3.31Å; F205-H277 WeakPolarHBondContact CA-O 3.48Å; F205-H277 WeakPolarHBondContact CB-O 3.39Å; F205-L278 HydrophobicContact CB-CD2 3.88Å
206G96.6Very high78.6Confident0 Ų064.6 Ų64.60%035%0.351CS..EExtended strand (participates in β ladder)trans-104.6139.7170.400000110.9A223 V276 H277G206-A223 CarbonylContact C-O 3.6Å; G206-A223 VanDerWaalsContact CA-O 3.28Å; G206-A223 WeakPolarHBondContact CA-O 3.06Å; G206-V276 CarbonylContact O-C 3.11Å; G206-V276 WeakPolarHBondContact O-CA 3.3Å; G206-H277 PolarHBondContact N-O 2.93Å; G206-H277 PolarHBondContact O-N 3.25Å
207L97.6Very high80.2Confident0 Ų062.8 Ų62.80%035%0.345CS..EExtended strand (participates in β ladder)trans-114.5131.5170.2179.465.7000109L183 F205 L221 A222 A223 A240 A242 V276L183-L207 HydrophobicContact CD2-CD1 3.63Å; F205-L207 HydrophobicContact CE2-CB 4.3Å; L207-L221 HydrophobicContact CD2-CD2 4.18Å; L207-A222 CarbonylContact O-C 3.56Å; L207-A222 VanDerWaalsContact O-CA 3.23Å; L207-A222 WeakPolarHBondContact O-CA 3.14Å; L207-A223 PolarHBondContact N-O 3.42Å; L207-A223 PolarHBondContact O-N 2.83Å; L207-A240 HydrophobicContact CD2-CB 3.59Å; L207-A242 HydrophobicContact CB-CB 4.43Å; L207-A242 HydrophobicContact CD2-CB 3.64Å; L207-V276 HydrophobicContact CD1-CG2 4.41Å
208E97.1Very high82.2Confident16 Ų1664 Ų648%0.07534%0.342CS..EExtended strand (participates in β ladder)trans-129.7126175.7-168.6179.5164.900110.8W108 R210 L219 A274 T275 H277W108-E208 HydrophobicContact CH2-CB 4.15Å; W108-E208 HydrophobicContact CZ2-CB 3.84Å; W108-E208 HydrophobicContact CZ2-CG 3.98Å; E208-R210 HydrophobicContact CG-CG 4.06Å; E208-R210 WeakPolarHBondContact OE1-CD 3.4Å; E208-R210 WeakPolarHBondContact OE1-CG 3.41Å; E208-R210 IonicContact OE1-CZ 2.73Å; E208-R210 IonicContact OE1-NE 2.75Å; E208-R210 IonicContact OE1-NH1 2.62Å; E208-R210 PolarHBondContact OE1-NH1 3.3Å; E208-L219 HydrophobicContact CG-CD1 3.5Å; E208-A274 CarbonylContact O-C 3.58Å; E208-A274 WeakPolarHBondContact O-CA 3.17Å; E208-T275 PolarHBondContact N-O 3.32Å; E208-T275 PolarHBondContact O-N 3.48Å; E208-H277 IonicContact OE2-CE1 3.78Å; E208-H277 IonicContact OE2-NE2 2.64Å; E208-H277 PolarHBondContact OE2-NE2 3.23Å
209W97.5Very high84.5Confident0 Ų059.2 Ų59.20%032%0.317CS..EExtended strand (participates in β ladder)trans-116.9125.7170.9-81.293.6000110.3L181 L183 L220 L221 G257 F259 Y272 L273 A274 L287L181-W209 HydrophobicContact CB-CH2 3.66Å; L181-W209 HydrophobicContact CB-CZ2 4.39Å; L181-W209 HydrophobicContact CB-CZ3 4.09Å; L181-W209 HydrophobicContact CD1-CE3 4.34Å; L181-W209 HydrophobicContact CD1-CH2 4.16Å; L181-W209 HydrophobicContact CD1-CZ3 3.69Å; L183-W209 HydrophobicContact CB-CH2 4.49Å; L183-W209 HydrophobicContact CB-CZ2 3.82Å; L183-W209 HydrophobicContact CD2-CZ2 3.93Å; L183-W209 HydrophobicContact CG-CZ2 4.33Å; W209-L220 PolarHBondContact O-N 3.34Å; W209-L221 HydrophobicContact CB-CB 4.31Å; W209-L221 PolarHBondContact N-O 2.85Å; W209-L221 PolarHBondContact O-N 2.85Å; W209-G257 PolarHBondContact NE1-O 2.98Å; W209-F259 HydrophobicContact CB-CD2 3.89Å; W209-F259 HydrophobicContact CB-CE2 3.93Å; W209-F259 AromaticContact CD1-CD2 3.74Å; W209-F259 HydrophobicContact CD2-CB 3.66Å; W209-F259 AromaticContact CD2-CD2 3.96Å; W209-F259 HydrophobicContact CD2-CD2 3.96Å; W209-F259 AromaticContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CE3-CB 4.16Å; W209-F259 HydrophobicContact CE3-CD1 4.49Å; W209-F259 HydrophobicContact CE3-CG 4.23Å; W209-F259 HydrophobicContact CG-CB 4.1Å; W209-F259 AromaticContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CE2 4.14Å; W209-F259 AromaticContact CG-CG 3.99Å; W209-F259 HydrophobicContact CG-CG 3.99Å; W209-F259 HydrophobicContact CH2-CB 4Å; W209-F259 HydrophobicContact CZ2-CB 3.48Å; W209-F259 VanDerWaalsContact CZ2-CB 3.48Å; W209-F259 HydrophobicContact CZ2-CG 4.5Å; W209-F259 HydrophobicContact CZ3-CB 4.32Å; W209-Y272 HydrophobicContact CE3-CD1 4.37Å; W209-L273 WeakPolarHBondContact CA-O 3.43Å; W209-A274 HydrophobicContact CD2-CB 3.91Å; W209-A274 HydrophobicContact CE3-CB 3.88Å; W209-A274 HydrophobicContact CH2-CB 3.64Å; W209-A274 HydrophobicContact CZ2-CB 3.64Å; W209-A274 HydrophobicContact CZ3-CB 3.75Å; W209-L287 HydrophobicContact CH2-CD1 3.97Å; W209-L287 HydrophobicContact CH2-CD2 4.29Å; W209-L287 HydrophobicContact CZ3-CD1 3.99Å
210R95.2Very high86.8Confident80 Ų8052 Ų5230%0.30228%0.279SS..EExtended strand (participates in β ladder)trans-126.3149.3176.8-50.1-178.775.892-0.7110.7E208 G217 H218 L219 Y272 L273E208-R210 HydrophobicContact CG-CG 4.06Å; E208-R210 WeakPolarHBondContact OE1-CD 3.4Å; E208-R210 WeakPolarHBondContact OE1-CG 3.41Å; E208-R210 IonicContact OE1-CZ 2.73Å; E208-R210 IonicContact OE1-NE 2.75Å; E208-R210 IonicContact OE1-NH1 2.62Å; E208-R210 PolarHBondContact OE1-NH1 3.3Å; R210-G217 PolarHBondContact NH2-O 3.03Å; R210-H218 CarbonylContact C-O 3.57Å; R210-H218 WeakPolarHBondContact CA-O 3.35Å; R210-L219 HydrophobicContact CG-CD1 4.21Å; R210-Y272 CarbonylContact O-C 3.6Å; R210-Y272 VanDerWaalsContact O-CA 3.32Å; R210-Y272 WeakPolarHBondContact O-CA 3.49Å; R210-L273 HydrophobicContact CB-CB 4.42Å; R210-L273 PolarHBondContact N-O 3.17Å; R210-L273 PolarHBondContact O-N 3.08Å
211R94.3Very high88.2Confident25 Ų2550.7 Ų50.79%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-109.2122.4165.2-176.9174.967.5-134.3-2.7110G217 H218 L220 E236 Q268 V271 Y272R211-G217 CarbonylContact O-C 3.52Å; R211-G217 WeakPolarHBondContact O-CA 3.4Å; R211-H218 PolarHBondContact N-O 2.61Å; R211-H218 PolarHBondContact O-N 3.22Å; R211-L220 HydrophobicContact CB-CD1 3.86Å; R211-L220 HydrophobicContact CB-CG 4.31Å; R211-E236 IonicContact CZ-OE1 3.01Å; R211-E236 IonicContact CZ-OE2 3.18Å; R211-E236 IonicContact NH1-OE1 3.68Å; R211-E236 PolarHBondContact NH1-OE1 2.92Å; R211-E236 VanDerWaalsContact NH1-OE1 3.12Å; R211-E236 IonicContact NH1-OE2 3.01Å; R211-E236 PolarHBondContact NH1-OE2 3.42Å; R211-E236 IonicContact NH2-OE1 3.83Å; R211-E236 PolarHBondContact NH2-OE1 3Å; R211-E236 IonicContact NH2-OE2 2.91Å; R211-Q268 WeakPolarHBondContact CD-O 3.3Å; R211-V271 CarbonylContact C-O 3.47Å; R211-V271 WeakPolarHBondContact CA-O 3.27Å; R211-Y272 HydrophobicContact CB-CD1 4.47Å; R211-Y272 HydrophobicContact CB-CE1 4.32Å; R211-Y272 HydrophobicContact CG-CD2 4.37Å; R211-Y272 HydrophobicContact CG-CE2 4.03Å; R211-Y272 PolarHBondContact NH1-OH 2.95Å
212Q88.4Confident89.1Confident86 Ų8649.6 Ų49.640%0.40225%0.254SS..EExtended strand (participates in β ladder)trans-93.9118.3172.7-168.5175.611.600109.5V271 L273Q212-V271 PolarHBondContact N-O 2.73Å; Q212-L273 HydrophobicContact CB-CD1 4.47Å
213H74.3Confident89.4Confident89 Ų8949.5 Ų49.541%0.41226%0.255SS..EExtended strand (participates in β ladder)trans-136.3125.5175178.1-108.2000109.2G215 K216H213-G215 VanDerWaalsContact C-N 3.28Å; H213-G215 PolarHBondContact O-N 2.96Å; H213-K216 PolarHBondContact N-O 2.9Å; H213-K216 VanDerWaalsContact N-O 3.08Å; H213-K216 PolarHBondContact O-N 2.92Å; H213-K216 VanDerWaalsContact O-N 3.09Å
214R68.6Low89.6Confident224 Ų22448.4 Ų48.485%0.84525%0.248SC*.THydrogen-bonded Turntrans5143.9-178.4-59.3177.9-178.9-173.5-2.9113.4K216R214-K216 VanDerWaalsContact C-N 3.26Å; R214-K216 PolarHBondContact O-N 3.37Å
215G67.4Low89.6Confident66 Ų6647.9 Ų47.968%0.6824%0.244SC*.THydrogen-bonded Turntrans77.3-2.8178.700000115.8H213H213-G215 VanDerWaalsContact C-N 3.28Å; H213-G215 PolarHBondContact O-N 2.96Å
216K73.3Confident89.2Confident150 Ų15051.3 Ų51.365%0.65228%0.279SS*.EExtended strand (participates in β ladder)trans-105.6117.5175.2-65.1-176.8-178.1-1790110.6H213 R214 H218H213-K216 PolarHBondContact N-O 2.9Å; H213-K216 VanDerWaalsContact N-O 3.08Å; H213-K216 PolarHBondContact O-N 2.92Å; H213-K216 VanDerWaalsContact O-N 3.09Å; R214-K216 VanDerWaalsContact C-N 3.26Å; R214-K216 PolarHBondContact O-N 3.37Å; K216-H218 PolarHBondContact O-ND1 3.5Å
217G79.8Confident88.8Confident32 Ų3254.2 Ų54.233%0.3330%0.295SS..EExtended strand (participates in β ladder)trans-89112.5174.700000111.7R210 R211R210-G217 PolarHBondContact NH2-O 3.03Å; R211-G217 CarbonylContact O-C 3.52Å; R211-G217 WeakPolarHBondContact O-CA 3.4Å
218H89.7Confident88.2Confident100 Ų10059.4 Ų59.446%0.46334%0.338SS..EExtended strand (participates in β ladder)trans-95.7128.7176.1-59.979.8000109.7R210 R211 K216 L220R210-H218 CarbonylContact C-O 3.57Å; R210-H218 WeakPolarHBondContact CA-O 3.35Å; R211-H218 PolarHBondContact N-O 2.61Å; R211-H218 PolarHBondContact O-N 3.22Å; K216-H218 PolarHBondContact O-ND1 3.5Å; H218-L220 PolarHBondContact O-N 2.9Å
219L94.1Very high87.4Confident42 Ų4260.7 Ų60.722%0.2236%0.356CS..EExtended strand (participates in β ladder)trans-70.4124.6173.7-179.467.9000109.2E208 R210 A222 P232 Q235E208-L219 HydrophobicContact CG-CD1 3.5Å; R210-L219 HydrophobicContact CG-CD1 4.21Å; L219-A222 HydrophobicContact CD1-CB 4.28Å; L219-A222 HydrophobicContact CD2-CB 4.19Å; L219-P232 HydrophobicContact CD2-CB 3.72Å; L219-P232 HydrophobicContact CD2-CG 3.8Å; L219-Q235 WeakPolarHBondContact O-CG 3.42Å
220L95.6Very high86.9Confident3 Ų372.1 Ų72.12%0.01640%0.399CS..EExtended strand (participates in β ladder)trans-99.4-42.8178.3-63.9-179.1000111.8W209 R211 H218 A234 Q235 F259 Y272W209-L220 PolarHBondContact O-N 3.34Å; R211-L220 HydrophobicContact CB-CD1 3.86Å; R211-L220 HydrophobicContact CB-CG 4.31Å; H218-L220 PolarHBondContact O-N 2.9Å; L220-A234 CarbonylContact O-C 3.59Å; L220-A234 WeakPolarHBondContact O-CA 3.36Å; L220-Q235 HydrophobicContact CD2-CB 4.09Å; L220-Q235 PolarHBondContact O-N 2.91Å; L220-F259 HydrophobicContact CB-CE2 4.22Å; L220-F259 HydrophobicContact CB-CZ 4Å; L220-F259 HydrophobicContact CD1-CE1 4.3Å; L220-F259 HydrophobicContact CD1-CZ 3.83Å; L220-Y272 HydrophobicContact CD1-CD1 3.93Å; L220-Y272 HydrophobicContact CD1-CE1 3.39Å
221L96.8Very high86.7Confident15 Ų1570.9 Ų70.98%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-149.5140-179.1-176.6148.4000109.9L207 W209 A223 T239 A240 F259L207-L221 HydrophobicContact CD2-CD2 4.18Å; W209-L221 HydrophobicContact CB-CB 4.31Å; W209-L221 PolarHBondContact N-O 2.85Å; W209-L221 PolarHBondContact O-N 2.85Å; L221-A223 HydrophobicContact CD2-CB 4.38Å; L221-T239 VanDerWaalsContact CD1-C 3.44Å; L221-A240 HydrophobicContact CD1-CB 3.8Å; L221-A240 HydrophobicContact CD2-CB 3.79Å; L221-A240 HydrophobicContact CG-CB 4.47Å; L221-F259 HydrophobicContact CB-CD2 4.41Å; L221-F259 HydrophobicContact CB-CE2 3.93Å; L221-F259 HydrophobicContact CD1-CE2 4.45Å
222A96.5Very high86.7Confident9 Ų971.6 Ų71.67%0.07441%0.405CS..EExtended strand (participates in β ladder)trans-138.1137.3168.900000109.5W108 L207 L219 P232W108-A222 HydrophobicContact CD2-CB 3.94Å; W108-A222 HydrophobicContact CE3-CB 4.28Å; W108-A222 HydrophobicContact CG-CB 4.45Å; W108-A222 HydrophobicContact CH2-CB 4.29Å; W108-A222 HydrophobicContact CZ2-CB 3.95Å; W108-A222 HydrophobicContact CZ3-CB 4.44Å; L207-A222 CarbonylContact O-C 3.56Å; L207-A222 VanDerWaalsContact O-CA 3.23Å; L207-A222 WeakPolarHBondContact O-CA 3.14Å; L219-A222 HydrophobicContact CD1-CB 4.28Å; L219-A222 HydrophobicContact CD2-CB 4.19Å; A222-P232 HydrophobicContact CB-CG 4.08Å
223A95.4Very high86.9Confident25 Ų2572.5 Ų72.521%0.20742%0.418CS..EExtended strand (participates in β ladder)trans-146154.5178.900000110.7G206 L207 L221G206-A223 CarbonylContact C-O 3.6Å; G206-A223 VanDerWaalsContact CA-O 3.28Å; G206-A223 WeakPolarHBondContact CA-O 3.06Å; L207-A223 PolarHBondContact N-O 3.42Å; L207-A223 PolarHBondContact O-N 2.83Å; L221-A223 HydrophobicContact CD2-CB 4.38Å
224T95Very high87.9Confident8 Ų870.8 Ų70.85%0.04942%0.419CS..  trans-13174.617244.50000110.9W108 L112 F205 G226 L227 M231W108-T224 HydrophobicContact CE3-CG2 3.83Å; W108-T224 HydrophobicContact CZ3-CG2 3.66Å; L112-T224 HydrophobicContact CD1-CG2 4.43Å; L112-T224 HydrophobicContact CD2-CG2 4.45Å; L112-T224 HydrophobicContact CG-CG2 4.39Å; F205-T224 CarbonylContact O-C 3.58Å; F205-T224 VanDerWaalsContact O-CA 3.23Å; F205-T224 WeakPolarHBondContact O-CA 3.34Å; T224-G226 PolarHBondContact O-N 3.33Å; T224-L227 PolarHBondContact O-N 2.75Å; T224-L227 VanDerWaalsContact O-O 3.07Å; T224-M231 HydrophobicContact CG2-CE 4.1Å; T224-M231 HydrophobicContact CG2-SD 4.09Å; T224-M231 WeakPolarHBondContact OG1-CE 3.49Å; T224-M231 PolarHBondContact OG1-SD 2.96Å
225P93Very high89.1Confident35 Ų3564.5 Ų64.523%0.22740%0.4CS..THydrogen-bonded Turntrans-54.8136.6177.4-25.136.7000111.5F205 L227 A242F205-P225 HydrophobicContact CD1-CB 4.32Å; F205-P225 HydrophobicContact CE1-CB 3.71Å; F205-P225 HydrophobicContact CE1-CG 3.83Å; F205-P225 HydrophobicContact CE2-CG 4.1Å; F205-P225 HydrophobicContact CZ-CB 4.01Å; F205-P225 HydrophobicContact CZ-CG 3.59Å; F205-P225 PolarHBondContact N-O 3.28Å; F205-P225 VanDerWaalsContact O-CD 3.22Å; F205-P225 WeakPolarHBondContact O-CD 3.39Å; P225-L227 VanDerWaalsContact C-N 3.33Å; P225-A242 HydrophobicContact CG-CB 3.71Å; P225-A242 WeakPolarHBondContact CG-O 3.24Å
226G86.4Confident90.3Very high72 Ų7264.6 Ų64.674%0.74238%0.382SS*.THydrogen-bonded Turntrans87.2-8.2-174.500000114.9T224T224-G226 PolarHBondContact O-N 3.33Å
227L89.1Confident91.3Very high61 Ų6166 Ų6632%0.31939%0.388SS..SBendtrans-125.7135173.8-70.4170.5000111.8S111 L112 P204 T224 P225 G229S111-L227 WeakPolarHBondContact O-CD1 3.45Å; L112-L227 HydrophobicContact CD2-CD1 3.74Å; L112-L227 HydrophobicContact CG-CD1 4.39Å; P204-L227 HydrophobicContact CB-CD1 3.74Å; P204-L227 HydrophobicContact CB-CD2 4.39Å; P204-L227 HydrophobicContact CB-CG 3.58Å; P204-L227 HydrophobicContact CG-CD1 4.28Å; P204-L227 HydrophobicContact CG-CD2 4.12Å; P204-L227 HydrophobicContact CG-CG 3.86Å; T224-L227 PolarHBondContact O-N 2.75Å; T224-L227 VanDerWaalsContact O-O 3.07Å; P225-L227 VanDerWaalsContact C-N 3.33Å; L227-G229 PolarHBondContact O-N 2.92Å
228A83.9Confident92Very high110 Ų11064.6 Ų64.691%0.90937%0.374SS*.  trans-79.3118167.300000109
229G80.9Confident92.3Very high43 Ų4362.9 Ų62.944%0.44337%0.37SS..  trans-158.7156.3-179.500000112.5L227 M231L227-G229 PolarHBondContact O-N 2.92Å; G229-M231 PolarHBondContact O-N 3.03Å
230R86.4Confident92.5Very high240 Ų24062.2 Ų62.291%0.90637%0.371SS*.  trans-74.6108.4174.3-174.9176.5-179.2178.11.1109.4
231M92.6Very high92.5Very high53 Ų5367.9 Ų67.926%0.26140%0.396SS..PPolyproline II helixtrans-90.8149.6177.5-62.8-60.1111.100111.9W108 T224 G229W108-M231 HydrophobicContact CE3-SD 4.01Å; T224-M231 HydrophobicContact CG2-CE 4.1Å; T224-M231 HydrophobicContact CG2-SD 4.09Å; T224-M231 WeakPolarHBondContact OG1-CE 3.49Å; T224-M231 PolarHBondContact OG1-SD 2.96Å; G229-M231 PolarHBondContact O-N 3.03Å
232P93.2Very high92.5Very high41 Ų4168.3 Ų68.327%0.26640%0.401SS..PPolyproline II helixtrans-55.5144.9166.5-24.234.1000111.6W108 L219 A222 A234W108-P232 HydrophobicContact CB-CG 4.12Å; W108-P232 HydrophobicContact CG-CG 3.97Å; L219-P232 HydrophobicContact CD2-CB 3.72Å; L219-P232 HydrophobicContact CD2-CG 3.8Å; A222-P232 HydrophobicContact CB-CG 4.08Å; P232-A234 PolarHBondContact O-N 3.46Å
233P93.1Very high92.5Very high105 Ų10570.2 Ų70.268%0.68242%0.417SS*.PPolyproline II helixtrans-67.4131.9178.228-33.7000110.8Q235P233-Q235 PolarHBondContact O-NE2 2.89Å; P233-Q235 VanDerWaalsContact O-NE2 3.12Å
234A94.6Very high92.5Very high53 Ų5371 Ų7144%0.43842%0.415SS..PPolyproline II helixtrans-60.6137.317400000110.9L220 P232L220-A234 CarbonylContact O-C 3.59Å; L220-A234 WeakPolarHBondContact O-CA 3.36Å; P232-A234 PolarHBondContact O-N 3.46Å
235Q93.9Very high92.5Very high92 Ų9274.1 Ų74.143%0.4343%0.431SS..SBendtrans-96.2157.1177.9-58.1-59.5-49.700110.4L219 L220 P233 K237 A238L219-Q235 WeakPolarHBondContact O-CG 3.42Å; L220-Q235 HydrophobicContact CD2-CB 4.09Å; L220-Q235 PolarHBondContact O-N 2.91Å; P233-Q235 PolarHBondContact O-NE2 2.89Å; P233-Q235 VanDerWaalsContact O-NE2 3.12Å; Q235-K237 PolarHBondContact O-N 2.97Å; Q235-A238 VanDerWaalsContact O-CB 3.31Å; Q235-A238 WeakPolarHBondContact O-CB 3.43Å; Q235-A238 PolarHBondContact O-N 3.49Å
236E93Very high92.4Very high67 Ų6775.1 Ų75.131%0.31344%0.435SS..THydrogen-bonded Turntrans57.424171.5-55.2-177.7176.300114.2R211 A238 L261 Q268R211-E236 IonicContact CZ-OE1 3.01Å; R211-E236 IonicContact CZ-OE2 3.18Å; R211-E236 IonicContact NH1-OE1 3.68Å; R211-E236 PolarHBondContact NH1-OE1 2.92Å; R211-E236 VanDerWaalsContact NH1-OE1 3.12Å; R211-E236 IonicContact NH1-OE2 3.01Å; R211-E236 PolarHBondContact NH1-OE2 3.42Å; R211-E236 IonicContact NH2-OE1 3.83Å; R211-E236 PolarHBondContact NH2-OE1 3Å; R211-E236 IonicContact NH2-OE2 2.91Å; E236-A238 PolarHBondContact O-N 2.88Å; E236-A238 VanDerWaalsContact O-N 3.16Å; E236-L261 HydrophobicContact CB-CD1 3.84Å; E236-Q268 WeakPolarHBondContact OE2-CG 3.4Å; E236-Q268 PolarHBondContact OE2-NE2 3.37Å
237K93.8Very high92.4Very high179 Ų17978 Ų7878%0.77843%0.433SS*.THydrogen-bonded Turntrans55.324.8-174.2-54.6178.2-180-179.10113.1Q235 P262Q235-K237 PolarHBondContact O-N 2.97Å; K237-P262 HydrophobicContact CB-CG 3.95Å
238A95.4Very high92.3Very high4 Ų480.5 Ų80.53%0.03344%0.443CS..  trans-69.2147.6179.300000111.3Q235 E236 F259 W260 L261Q235-A238 VanDerWaalsContact O-CB 3.31Å; Q235-A238 WeakPolarHBondContact O-CB 3.43Å; Q235-A238 PolarHBondContact O-N 3.49Å; E236-A238 PolarHBondContact O-N 2.88Å; E236-A238 VanDerWaalsContact O-N 3.16Å; A238-F259 HydrophobicContact CB-CD2 4.43Å; A238-F259 HydrophobicContact CB-CE1 4.28Å; A238-F259 HydrophobicContact CB-CE2 3.4Å; A238-F259 VanDerWaalsContact CB-CE2 3.4Å; A238-F259 HydrophobicContact CB-CZ 3.3Å; A238-W260 VanDerWaalsContact CA-O 3.32Å; A238-W260 WeakPolarHBondContact CA-O 3.37Å; A238-L261 HydrophobicContact CB-CD1 4.04Å
239T96.6Very high92.2Very high63 Ų6377.9 Ų77.939%0.38742%0.417SS..EExtended strand (participates in β ladder)trans-131.7168.7173.8660000109.6L221 W260L221-T239 VanDerWaalsContact CD1-C 3.44Å; T239-W260 HydrophobicContact CG2-CE3 4.12Å; T239-W260 HydrophobicContact CG2-CZ3 4.3Å; T239-W260 PolarHBondContact N-O 2.68Å; T239-W260 PolarHBondContact O-N 3.36Å
240A96.7Very high92.1Very high28 Ų2882.5 Ų82.523%0.23142%0.421CS..EExtended strand (participates in β ladder)trans-142.3145.117500000110.3L207 L221 A242 T258L207-A240 HydrophobicContact CD2-CB 3.59Å; L221-A240 HydrophobicContact CD1-CB 3.8Å; L221-A240 HydrophobicContact CD2-CB 3.79Å; L221-A240 HydrophobicContact CG-CB 4.47Å; A240-A242 PolarHBondContact O-N 3.38Å; A240-T258 CarbonylContact C-O 3.57Å; A240-T258 WeakPolarHBondContact CA-O 3.37Å; A240-T258 WeakPolarHBondContact CB-O 3.26Å
241F96.4Very high92Very high123 Ų12372.1 Ų72.154%0.53939%0.389SS..EExtended strand (participates in β ladder)trans-89.781.3170.1-54.3-84.7000107.9N256 G257 T258 W260F241-N256 CarbonylContact O-C 3.55Å; F241-N256 PolarHBondContact O-OD1 2.64Å; F241-G257 WeakPolarHBondContact O-CA 3.3Å; F241-G257 PolarHBondContact O-N 3.5Å; F241-T258 WeakPolarHBondContact CB-OG1 3.25Å; F241-T258 VanDerWaalsContact CD2-OG1 3.3Å; F241-T258 WeakPolarHBondContact CD2-OG1 3.5Å; F241-T258 PolarHBondContact N-O 2.91Å; F241-W260 HydrophobicContact CE2-CB 4.29Å
242A96.2Very high91.9Very high23 Ų2372.2 Ų72.219%0.1939%0.393CS..EExtended strand (participates in β ladder)trans-100.198.8-176.400000110.5F205 L207 P225 A240 N256F205-A242 HydrophobicContact CE2-CB 4.36Å; F205-A242 HydrophobicContact CZ-CB 4.18Å; L207-A242 HydrophobicContact CB-CB 4.43Å; L207-A242 HydrophobicContact CD2-CB 3.64Å; P225-A242 HydrophobicContact CG-CB 3.71Å; P225-A242 WeakPolarHBondContact CG-O 3.24Å; A240-A242 PolarHBondContact O-N 3.38Å; A242-N256 VanDerWaalsContact CA-O 3.29Å; A242-N256 WeakPolarHBondContact CA-O 3.49Å
243A96.5Very high92Very high50 Ų5071 Ų7141%0.41338%0.383SS..EExtended strand (participates in β ladder)trans-156.8158.1178.200000111.7G255 N256A243-G255 CarbonylContact O-C 3.51Å; A243-G255 VanDerWaalsContact O-CA 3.27Å; A243-G255 WeakPolarHBondContact O-CA 3.2Å; A243-N256 PolarHBondContact N-O 3.36Å; A243-N256 VanDerWaalsContact N-O 3.08Å; A243-N256 PolarHBondContact O-N 3.5Å
244W96.3Very high92.2Very high42 Ų4267.7 Ų67.716%0.15936%0.362CS..EExtended strand (participates in β ladder)trans-72.8148.7160.4-64.3111000109.6F185 Y187 P202 P203 F205 W253 L278F185-W244 HydrophobicContact CD2-CH2 4.03Å; F185-W244 AromaticContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CD2-CZ3 3.9Å; F185-W244 HydrophobicContact CE2-CD2 4.28Å; F185-W244 AromaticContact CE2-CE3 3.83Å; F185-W244 HydrophobicContact CE2-CE3 3.83Å; F185-W244 AromaticContact CE2-CH2 3.43Å; F185-W244 HydrophobicContact CE2-CH2 3.43Å; F185-W244 VanDerWaalsContact CE2-CH2 3.43Å; F185-W244 AromaticContact CE2-CZ2 3.9Å; F185-W244 HydrophobicContact CE2-CZ2 3.9Å; F185-W244 AromaticContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CE2-CZ3 3.37Å; F185-W244 HydrophobicContact CZ-CE3 4.33Å; F185-W244 HydrophobicContact CZ-CH2 4.49Å; F185-W244 HydrophobicContact CZ-CZ3 4.3Å; Y187-W244 HydrophobicContact CD1-CH2 4.48Å; Y187-W244 HydrophobicContact CG-CH2 4.48Å; P202-W244 HydrophobicContact CB-CB 4.28Å; P202-W244 VanDerWaalsContact CB-CD1 3.46Å; P202-W244 HydrophobicContact CB-CD2 3.72Å; P202-W244 HydrophobicContact CB-CE3 4.46Å; P202-W244 HydrophobicContact CB-CG 3.59Å; P202-W244 HydrophobicContact CB-CZ2 4.38Å; P202-W244 HydrophobicContact CG-CB 3.91Å; P202-W244 VanDerWaalsContact CG-CD1 3.44Å; P202-W244 HydrophobicContact CG-CD2 4.3Å; P202-W244 HydrophobicContact CG-CG 3.63Å; P203-W244 HydrophobicContact CG-CZ2 4.28Å; P203-W244 PolarHBondContact O-NE1 3.3Å; F205-W244 HydrophobicContact CB-CZ2 4.31Å; F205-W244 HydrophobicContact CD1-CD2 4.46Å; F205-W244 AromaticContact CD1-CE2 3.71Å; F205-W244 HydrophobicContact CD1-CZ2 4.09Å; F205-W244 AromaticContact CD1-NE1 3.4Å; F205-W244 HydrophobicContact CE1-CG 4.44Å; F205-W244 AromaticContact CE1-NE1 3.85Å; F205-W244 HydrophobicContact CG-CZ2 4.47Å; W244-W253 HydrophobicContact CD2-CB 4.28Å; W244-W253 HydrophobicContact CE3-CB 3.51Å; W244-W253 HydrophobicContact CH2-CB 4.35Å; W244-W253 HydrophobicContact CZ3-CB 3.55Å; W244-L278 HydrophobicContact CZ2-CD2 4.24Å
245D95.1Very high92.3Very high72 Ų7265.2 Ų65.239%0.38534%0.341SS..SBendtrans-78.3-30.1-179.5-63.5-41.5000112R184 T254R184-D245 IonicContact CZ-OD1 2.7Å; R184-D245 IonicContact CZ-OD2 3.84Å; R184-D245 VanDerWaalsContact CZ-OD2 3.27Å; R184-D245 IonicContact NH1-OD1 3.79Å; R184-D245 PolarHBondContact NH1-OD1 3Å; R184-D245 IonicContact NH1-OD2 3.35Å; R184-D245 PolarHBondContact NH1-OD2 3.49Å; R184-D245 IonicContact NH2-OD1 3.12Å; R184-D245 IonicContact NH2-OD2 3.92Å; R184-D245 PolarHBondContact NH2-OD2 3.16Å; D245-T254 WeakPolarHBondContact CB-O 3.48Å; D245-T254 PolarHBondContact N-O 3.45Å; D245-T254 VanDerWaalsContact OD2-C 3.3Å; D245-T254 WeakPolarHBondContact OD2-CB 3.32Å; D245-T254 PolarHBondContact OD2-OG1 3.35Å
246D89.8Confident92.5Very high56 Ų5662.7 Ų62.730%0.29933%0.33SS..  trans-142.3166179.161.272.8000110.9E248D246-E248 HydrophobicContact CB-CG 4.32Å; D246-E248 WeakPolarHBondContact OD1-CG 3.38Å; D246-E248 PolarHBondContact OD1-N 3.04Å
247D87.6Confident92.7Very high133 Ų13359.5 Ų59.571%0.71132%0.315SS*.  trans-115.831.4179.262.4-21.8000112.2
248E86.4Confident92.9Very high113 Ų11351.5 Ų51.553%0.52828%0.282SS..  trans-55.6140.6-178-72-64.5150.900111.3D246 W250 W253D246-E248 HydrophobicContact CB-CG 4.32Å; D246-E248 WeakPolarHBondContact OD1-CG 3.38Å; D246-E248 PolarHBondContact OD1-N 3.04Å; E248-W250 PolarHBondContact O-N 2.58Å; E248-W250 VanDerWaalsContact O-N 3.1Å; E248-W253 PolarHBondContact O-NE1 3.09Å
249P81.6Confident93Very high55 Ų5551.3 Ų51.336%0.35728%0.28SS..SBendtrans-71.4-13.6-168.6-17.329.7000114.9A200A200-P249 VanDerWaalsContact O-O 3.07Å
250W79.1Confident93.1Very high140 Ų14051.9 Ų51.953%0.5328%0.275SS..SBendtrans-126.4-10.8-164-59.3111.5000114.1P196 E248P196-W250 HydrophobicContact CB-CE3 4.11Å; P196-W250 HydrophobicContact CB-CH2 3.25Å; P196-W250 HydrophobicContact CB-CZ3 2.96Å; P196-W250 HydrophobicContact CG-CE3 4.4Å; P196-W250 HydrophobicContact CG-CH2 3.2Å; P196-W250 HydrophobicContact CG-CZ3 3.11Å; E248-W250 PolarHBondContact O-N 2.58Å; E248-W250 VanDerWaalsContact O-N 3.1Å
251G83.6Confident93.1Very high22 Ų2250.5 Ų50.523%0.22726%0.264CS..  trans58.7-170.6-16800000112.9W253G251-W253 VanDerWaalsContact CA-CE2 3.45Å; G251-W253 VanDerWaalsContact N-CZ2 3.3Å
252P92.1Very high93.1Very high56 Ų5645.9 Ų45.936%0.36425%0.246SC..  cis-64.1154.1-3.829.8-36.2000112.2A75 Y187 A188A75-P252 HydrophobicContact CB-CB 3.68Å; A75-P252 HydrophobicContact CB-CG 4.2Å; Y187-P252 CarbonylContact O-C 3.57Å; Y187-P252 WeakPolarHBondContact O-CA 3.5Å; Y187-P252 WeakPolarHBondContact O-CB 3.44Å; A188-P252 HydrophobicContact CB-CB 3.98Å
253W94.6Very high93Very high14 Ų1447 Ų475%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-112.4147.7-179.2-57.4-81.1000111.4A186 Y187 P189 P202 W244 E248 G251A186-W253 CarbonylContact C-O 3.49Å; A186-W253 VanDerWaalsContact CA-O 3.29Å; A186-W253 WeakPolarHBondContact CA-O 3.44Å; Y187-W253 AromaticContact CD1-CE3 3.79Å; Y187-W253 HydrophobicContact CD1-CE3 3.79Å; Y187-W253 AromaticContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CD1-CZ3 3.91Å; Y187-W253 HydrophobicContact CE1-CE3 4.34Å; Y187-W253 AromaticContact CE1-CZ3 3.99Å; Y187-W253 HydrophobicContact CE1-CZ3 3.99Å; Y187-W253 PolarHBondContact N-O 3.07Å; Y187-W253 PolarHBondContact O-N 3.35Å; P189-W253 HydrophobicContact CB-CZ3 4.31Å; P189-W253 HydrophobicContact CG-CH2 4.11Å; P189-W253 HydrophobicContact CG-CZ3 3.73Å; P202-W253 HydrophobicContact CB-CB 4.31Å; P202-W253 HydrophobicContact CB-CD2 3.74Å; P202-W253 HydrophobicContact CB-CE3 4.42Å; P202-W253 HydrophobicContact CB-CG 3.68Å; P202-W253 HydrophobicContact CB-CZ2 4.48Å; W244-W253 HydrophobicContact CD2-CB 4.28Å; W244-W253 HydrophobicContact CE3-CB 3.51Å; W244-W253 HydrophobicContact CH2-CB 4.35Å; W244-W253 HydrophobicContact CZ3-CB 3.55Å; E248-W253 PolarHBondContact O-NE1 3.09Å; G251-W253 VanDerWaalsContact CA-CE2 3.45Å; G251-W253 VanDerWaalsContact N-CZ2 3.3Å
254T96.9Very high92.9Very high37 Ų3744.7 Ų44.723%0.22724%0.236CC..EExtended strand (participates in β ladder)trans-112.9149167.361.90000110.7M77 F185 A186 D245M77-T254 HydrophobicContact CE-CG2 4.31Å; F185-T254 CarbonylContact O-C 3.57Å; F185-T254 WeakPolarHBondContact O-CA 3.3Å; A186-T254 HydrophobicContact CB-CG2 4.09Å; D245-T254 WeakPolarHBondContact CB-O 3.48Å; D245-T254 PolarHBondContact N-O 3.45Å; D245-T254 VanDerWaalsContact OD2-C 3.3Å; D245-T254 WeakPolarHBondContact OD2-CB 3.32Å; D245-T254 PolarHBondContact OD2-OG1 3.35Å
255G96.8Very high92.7Very high0 Ų048.3 Ų48.30%025%0.253CS..EExtended strand (participates in β ladder)trans-140.5162.4-177.300000113.2R184 F185 A243R184-G255 WeakPolarHBondContact CA-O 3.38Å; F185-G255 VanDerWaalsContact CE1-C 3.49Å; F185-G255 PolarHBondContact N-O 2.92Å; F185-G255 PolarHBondContact O-N 2.79Å; A243-G255 CarbonylContact O-C 3.51Å; A243-G255 VanDerWaalsContact O-CA 3.27Å; A243-G255 WeakPolarHBondContact O-CA 3.2Å
256N97.6Very high92.6Very high39 Ų3946 Ų4621%0.20924%0.242CC..EExtended strand (participates in β ladder)trans-110.6138.6176.7-162.7-26000109.5L183 F185 F241 A242 A243 T258L183-N256 PolarHBondContact O-OD1 2.66Å; F185-N256 WeakPolarHBondContact CE1-O 3.34Å; F241-N256 CarbonylContact O-C 3.55Å; F241-N256 PolarHBondContact O-OD1 2.64Å; A242-N256 VanDerWaalsContact CA-O 3.29Å; A242-N256 WeakPolarHBondContact CA-O 3.49Å; A243-N256 PolarHBondContact N-O 3.36Å; A243-N256 VanDerWaalsContact N-O 3.08Å; A243-N256 PolarHBondContact O-N 3.5Å; N256-T258 VanDerWaalsContact OD1-CB 3.26Å; N256-T258 WeakPolarHBondContact OD1-CB 3.4Å; N256-T258 WeakPolarHBondContact OD1-CG2 3.44Å; N256-T258 PolarHBondContact OD1-N 2.8Å; N256-T258 PolarHBondContact OD1-OG1 2.85Å
257G97.2Very high92.5Very high0 Ų047.7 Ų47.70%026%0.258CS..EExtended strand (participates in β ladder)trans-138.624.4169.500000112.8L183 W209 F241 F259L183-G257 WeakPolarHBondContact CD2-O 3.44Å; L183-G257 PolarHBondContact O-N 3.22Å; W209-G257 PolarHBondContact NE1-O 2.98Å; F241-G257 WeakPolarHBondContact O-CA 3.3Å; F241-G257 PolarHBondContact O-N 3.5Å; G257-F259 PolarHBondContact O-N 3.37Å
258T98.1Very high92.7Very high12 Ų1242 Ų427%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-52.3134.5-17950.50000111L181 L183 A240 F241 N256L181-T258 CarbonylContact O-C 3.55Å; L181-T258 VanDerWaalsContact O-CA 3.31Å; L181-T258 WeakPolarHBondContact O-CA 2.97Å; L183-T258 PolarHBondContact O-N 2.79Å; A240-T258 CarbonylContact C-O 3.57Å; A240-T258 WeakPolarHBondContact CA-O 3.37Å; A240-T258 WeakPolarHBondContact CB-O 3.26Å; F241-T258 WeakPolarHBondContact CB-OG1 3.25Å; F241-T258 VanDerWaalsContact CD2-OG1 3.3Å; F241-T258 WeakPolarHBondContact CD2-OG1 3.5Å; F241-T258 PolarHBondContact N-O 2.91Å; N256-T258 VanDerWaalsContact OD1-CB 3.26Å; N256-T258 WeakPolarHBondContact OD1-CB 3.4Å; N256-T258 WeakPolarHBondContact OD1-CG2 3.44Å; N256-T258 PolarHBondContact OD1-N 2.8Å; N256-T258 PolarHBondContact OD1-OG1 2.85Å
259F98.1Very high92.9Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-104.2133.8-176.3178-100.7000111.3V180 L181 W209 L220 L221 A238 G257 L261 Y272V180-F259 CarbonylContact C-O 3.55Å; V180-F259 WeakPolarHBondContact CA-O 3.26Å; L181-F259 HydrophobicContact CB-CB 4.19Å; L181-F259 HydrophobicContact CD1-CD1 3.66Å; L181-F259 HydrophobicContact CD1-CE1 4.29Å; L181-F259 HydrophobicContact CG-CD1 4.02Å; L181-F259 PolarHBondContact N-O 3.33Å; L181-F259 PolarHBondContact O-N 3.47Å; W209-F259 HydrophobicContact CB-CD2 3.89Å; W209-F259 HydrophobicContact CB-CE2 3.93Å; W209-F259 AromaticContact CD1-CD2 3.74Å; W209-F259 HydrophobicContact CD2-CB 3.66Å; W209-F259 AromaticContact CD2-CD2 3.96Å; W209-F259 HydrophobicContact CD2-CD2 3.96Å; W209-F259 AromaticContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CD2-CG 3.84Å; W209-F259 HydrophobicContact CE3-CB 4.16Å; W209-F259 HydrophobicContact CE3-CD1 4.49Å; W209-F259 HydrophobicContact CE3-CG 4.23Å; W209-F259 HydrophobicContact CG-CB 4.1Å; W209-F259 AromaticContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CD2 3.57Å; W209-F259 HydrophobicContact CG-CE2 4.14Å; W209-F259 AromaticContact CG-CG 3.99Å; W209-F259 HydrophobicContact CG-CG 3.99Å; W209-F259 HydrophobicContact CH2-CB 4Å; W209-F259 HydrophobicContact CZ2-CB 3.48Å; W209-F259 VanDerWaalsContact CZ2-CB 3.48Å; W209-F259 HydrophobicContact CZ2-CG 4.5Å; W209-F259 HydrophobicContact CZ3-CB 4.32Å; L220-F259 HydrophobicContact CB-CE2 4.22Å; L220-F259 HydrophobicContact CB-CZ 4Å; L220-F259 HydrophobicContact CD1-CE1 4.3Å; L220-F259 HydrophobicContact CD1-CZ 3.83Å; L221-F259 HydrophobicContact CB-CD2 4.41Å; L221-F259 HydrophobicContact CB-CE2 3.93Å; L221-F259 HydrophobicContact CD1-CE2 4.45Å; A238-F259 HydrophobicContact CB-CD2 4.43Å; A238-F259 HydrophobicContact CB-CE1 4.28Å; A238-F259 HydrophobicContact CB-CE2 3.4Å; A238-F259 VanDerWaalsContact CB-CE2 3.4Å; A238-F259 HydrophobicContact CB-CZ 3.3Å; G257-F259 PolarHBondContact O-N 3.37Å; F259-L261 HydrophobicContact CD1-CB 4.31Å; F259-L261 HydrophobicContact CE1-CB 3.77Å; F259-L261 HydrophobicContact CE1-CD1 4.27Å; F259-L261 HydrophobicContact CE1-CD2 4.45Å; F259-L261 HydrophobicContact CE1-CG 4.4Å; F259-L261 HydrophobicContact CZ-CD1 4.35Å; F259-Y272 HydrophobicContact CE1-CD1 4.35Å; F259-Y272 AromaticContact CE1-CE1 3.95Å; F259-Y272 HydrophobicContact CE1-CE1 3.95Å
260W97.8Very high93.4Very high74 Ų7437.5 Ų37.528%0.2821%0.207SC..EExtended strand (participates in β ladder)trans-114.4120.4178.9178.783.4000109.9D178 A179 A238 T239 F241 P262D178-W260 WeakPolarHBondContact OD2-CZ2 3.31Å; D178-W260 PolarHBondContact OD2-NE1 3.41Å; A179-W260 WeakPolarHBondContact O-CA 3.49Å; A238-W260 VanDerWaalsContact CA-O 3.32Å; A238-W260 WeakPolarHBondContact CA-O 3.37Å; T239-W260 HydrophobicContact CG2-CE3 4.12Å; T239-W260 HydrophobicContact CG2-CZ3 4.3Å; T239-W260 PolarHBondContact N-O 2.68Å; T239-W260 PolarHBondContact O-N 3.36Å; F241-W260 HydrophobicContact CE2-CB 4.29Å; W260-P262 HydrophobicContact CE3-CG 4.3Å; W260-P262 HydrophobicContact CH2-CB 3.54Å; W260-P262 HydrophobicContact CH2-CG 3.89Å; W260-P262 HydrophobicContact CZ2-CB 3.85Å; W260-P262 HydrophobicContact CZ3-CB 3.89Å; W260-P262 HydrophobicContact CZ3-CG 3.71Å
261L96.8Very high94.2Very high0 Ų033.2 Ų33.20%020%0.196CC..EExtended strand (participates in β ladder)trans-118.6111.4178.5-174.466000109.6D178 A179 E236 A238 F259 V264 Q268 Y272 L289D178-L261 CarbonylContact C-O 3.5Å; D178-L261 WeakPolarHBondContact CA-O 3.28Å; A179-L261 HydrophobicContact CB-CB 4.29Å; A179-L261 PolarHBondContact N-O 3.48Å; A179-L261 PolarHBondContact O-N 3.49Å; E236-L261 HydrophobicContact CB-CD1 3.84Å; A238-L261 HydrophobicContact CB-CD1 4.04Å; F259-L261 HydrophobicContact CD1-CB 4.31Å; F259-L261 HydrophobicContact CE1-CB 3.77Å; F259-L261 HydrophobicContact CE1-CD1 4.27Å; F259-L261 HydrophobicContact CE1-CD2 4.45Å; F259-L261 HydrophobicContact CE1-CG 4.4Å; F259-L261 HydrophobicContact CZ-CD1 4.35Å; L261-V264 HydrophobicContact CB-CG2 4.37Å; L261-V264 HydrophobicContact CD2-CG2 4.03Å; L261-V264 HydrophobicContact CG-CG2 4.13Å; L261-Q268 HydrophobicContact CD2-CB 4.34Å; L261-Y272 HydrophobicContact CD2-CE1 4.45Å; L261-Y272 VanDerWaalsContact CD2-OH 3.31Å; L261-Y272 WeakPolarHBondContact CD2-OH 3.41Å; L261-L289 HydrophobicContact CD2-CD2 4.45Å
262P96.3Very high94.8Very high25 Ų2532.2 Ų32.216%0.16219%0.186CC..SBendtrans-74145.6-176.225.5-31000113D178 K237 W260 V264D178-P262 VanDerWaalsContact OD1-CA 3.3Å; D178-P262 WeakPolarHBondContact OD1-CA 3.11Å; K237-P262 HydrophobicContact CB-CG 3.95Å; W260-P262 HydrophobicContact CE3-CG 4.3Å; W260-P262 HydrophobicContact CH2-CB 3.54Å; W260-P262 HydrophobicContact CH2-CG 3.89Å; W260-P262 HydrophobicContact CZ2-CB 3.85Å; W260-P262 HydrophobicContact CZ3-CB 3.89Å; W260-P262 HydrophobicContact CZ3-CG 3.71Å; P262-V264 PolarHBondContact O-N 2.9Å
263A94.8Very high94.9Very high48 Ų4830.7 Ų30.740%0.39717%0.174SC..SBendtrans44.563.7169.300000114.3D178 K265D178-A263 PolarHBondContact OD1-N 2.99Å; A263-K265 PolarHBondContact O-N 2.94Å
264V95Very high95.1Very high0 Ų030 Ų300%017%0.172CC..  trans-62.4135.3-171.1-177.20000112.6V173 G176 K177 A179 L261 P262 Q268 L289 V291V173-V264 HydrophobicContact CG1-CG2 4.43Å; G176-V264 PolarHBondContact N-O 2.82Å; K177-V264 WeakPolarHBondContact O-CG2 3.19Å; K177-V264 PolarHBondContact O-N 2.76Å; A179-V264 HydrophobicContact CB-CG2 3.52Å; L261-V264 HydrophobicContact CB-CG2 4.37Å; L261-V264 HydrophobicContact CD2-CG2 4.03Å; L261-V264 HydrophobicContact CG-CG2 4.13Å; P262-V264 PolarHBondContact O-N 2.9Å; V264-Q268 VanDerWaalsContact CA-OE1 3.31Å; V264-Q268 HydrophobicContact CG1-CB 4.29Å; V264-L289 HydrophobicContact CG1-CD2 4.26Å; V264-V291 HydrophobicContact CG1-CG2 3.49Å; V264-V291 VanDerWaalsContact CG1-CG2 3.49Å
265K92.7Very high95.1Very high119 Ų11928.5 Ų28.552%0.51716%0.162SC..  trans-111156.7179.1-60.2-178.7-177.5-179.80110.9A263 S267 Q268A263-K265 PolarHBondContact O-N 2.94Å; K265-S267 PolarHBondContact O-N 3.5Å; K265-Q268 HydrophobicContact CB-CG 4.49Å; K265-Q268 WeakPolarHBondContact O-CB 3.31Å; K265-Q268 PolarHBondContact O-N 3.36Å
266P91.4Very high95.1Very high22 Ų2228.5 Ų28.514%0.14316%0.162CC..G310 helixtrans-54.1-35.5174.9-32.440.6000114.8L175 Q268 E269 F324L175-P266 HydrophobicContact CD1-CG 3.64Å; P266-Q268 PolarHBondContact O-N 3.11Å; P266-E269 WeakPolarHBondContact O-CB 3.49Å; P266-E269 PolarHBondContact O-N 2.84Å; P266-E269 VanDerWaalsContact O-N 3.11Å; P266-F324 HydrophobicContact CB-CD2 4.18Å; P266-F324 HydrophobicContact CB-CE1 4.28Å; P266-F324 HydrophobicContact CB-CE2 3.57Å; P266-F324 HydrophobicContact CB-CZ 3.64Å; P266-F324 HydrophobicContact CG-CD1 4.5Å; P266-F324 HydrophobicContact CG-CD2 3.8Å; P266-F324 HydrophobicContact CG-CE1 4.45Å; P266-F324 HydrophobicContact CG-CE2 3.73Å; P266-F324 HydrophobicContact CG-CG 4.21Å; P266-F324 HydrophobicContact CG-CZ 4.08Å
267S89Confident95.1Very high92 Ų9226.9 Ų26.964%0.64315%0.154SC*.G310 helixtrans-65.3-12178.1620000114.2K265K265-S267 PolarHBondContact O-N 3.5Å
268Q91.6Very high94.9Very high15 Ų1527.1 Ų27.17%0.0716%0.155CC..G310 helixtrans-97.2-2.5179.5-60.4170.7-58.600112.3R211 E236 L261 V264 K265 P266 Y272R211-Q268 WeakPolarHBondContact CD-O 3.3Å; E236-Q268 WeakPolarHBondContact OE2-CG 3.4Å; E236-Q268 PolarHBondContact OE2-NE2 3.37Å; L261-Q268 HydrophobicContact CD2-CB 4.34Å; V264-Q268 VanDerWaalsContact CA-OE1 3.31Å; V264-Q268 HydrophobicContact CG1-CB 4.29Å; K265-Q268 HydrophobicContact CB-CG 4.49Å; K265-Q268 WeakPolarHBondContact O-CB 3.31Å; K265-Q268 PolarHBondContact O-N 3.36Å; P266-Q268 PolarHBondContact O-N 3.11Å; Q268-Y272 WeakPolarHBondContact O-CE2 3.33Å; Q268-Y272 PolarHBondContact O-OH 3.07Å
269E90.9Very high94.6Very high53 Ų5328.8 Ų28.825%0.24817%0.166CC..  trans-60.5151.2171-74.4-173.2135.600112.2P266 V291 F324P266-E269 WeakPolarHBondContact O-CB 3.49Å; P266-E269 PolarHBondContact O-N 2.84Å; P266-E269 VanDerWaalsContact O-N 3.11Å; E269-V291 HydrophobicContact CG-CB 3.77Å; E269-V291 HydrophobicContact CG-CG2 3.51Å; E269-V291 WeakPolarHBondContact OE1-CA 3.38Å; E269-V291 WeakPolarHBondContact OE1-CB 3.43Å; E269-V291 PolarHBondContact OE1-N 2.87Å; E269-F324 WeakPolarHBondContact OE1-CE1 3.17Å; E269-F324 WeakPolarHBondContact OE2-CE1 3.5Å; E269-F324 WeakPolarHBondContact OE2-CZ 3.37Å
270G91.8Very high94.3Very high20 Ų2029.3 Ų29.321%0.20617%0.168CC..EExtended strand (participates in β ladder)trans138.1-161.5172.500000113.4Y272 L289G270-Y272 WeakPolarHBondContact O-CD2 3.13Å; G270-L289 PolarHBondContact N-O 2.92Å; G270-L289 VanDerWaalsContact N-O 3.16Å; G270-L289 PolarHBondContact O-N 3.18Å
271V94.6Very high94.1Very high50 Ų5026 Ų2630%0.30316%0.156SC..EExtended strand (participates in β ladder)trans-88.6122.2-176.2-177.80000109.9R211 Q212 L273 L287R211-V271 CarbonylContact C-O 3.47Å; R211-V271 WeakPolarHBondContact CA-O 3.27Å; Q212-V271 PolarHBondContact N-O 2.73Å; V271-L273 HydrophobicContact CG1-CD2 4.37Å; V271-L287 CarbonylContact C-O 3.57Å; V271-L287 WeakPolarHBondContact CA-O 3.44Å
272Y96Very high94.1Very high0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-100.3133.6173-74.7-109.7000109.1L181 W209 R210 R211 L220 F259 L261 Q268 G270 S286 L287 L289L181-Y272 HydrophobicContact CD1-CD1 3.61Å; L181-Y272 HydrophobicContact CD1-CD2 4.5Å; L181-Y272 HydrophobicContact CD1-CE1 4.09Å; L181-Y272 HydrophobicContact CD1-CG 3.84Å; W209-Y272 HydrophobicContact CE3-CD1 4.37Å; R210-Y272 CarbonylContact O-C 3.6Å; R210-Y272 VanDerWaalsContact O-CA 3.32Å; R210-Y272 WeakPolarHBondContact O-CA 3.49Å; R211-Y272 HydrophobicContact CB-CD1 4.47Å; R211-Y272 HydrophobicContact CB-CE1 4.32Å; R211-Y272 HydrophobicContact CG-CD2 4.37Å; R211-Y272 HydrophobicContact CG-CE2 4.03Å; R211-Y272 PolarHBondContact NH1-OH 2.95Å; L220-Y272 HydrophobicContact CD1-CD1 3.93Å; L220-Y272 HydrophobicContact CD1-CE1 3.39Å; F259-Y272 HydrophobicContact CE1-CD1 4.35Å; F259-Y272 AromaticContact CE1-CE1 3.95Å; F259-Y272 HydrophobicContact CE1-CE1 3.95Å; L261-Y272 HydrophobicContact CD2-CE1 4.45Å; L261-Y272 VanDerWaalsContact CD2-OH 3.31Å; L261-Y272 WeakPolarHBondContact CD2-OH 3.41Å; Q268-Y272 WeakPolarHBondContact O-CE2 3.33Å; Q268-Y272 PolarHBondContact O-OH 3.07Å; G270-Y272 WeakPolarHBondContact O-CD2 3.13Å; Y272-S286 CarbonylContact O-C 3.53Å; Y272-S286 WeakPolarHBondContact O-CA 3.38Å; Y272-L287 PolarHBondContact N-O 2.79Å; Y272-L287 PolarHBondContact O-N 3.01Å; Y272-L289 HydrophobicContact CD2-CB 3.72Å; Y272-L289 HydrophobicContact CD2-CD2 4.36Å; Y272-L289 HydrophobicContact CE2-CB 3.61Å; Y272-L289 HydrophobicContact CE2-CD2 3.55Å; Y272-L289 HydrophobicContact CE2-CG 4.2Å
273L95.9Very high94.1Very high25 Ų2528.8 Ų28.813%0.13117%0.167CC..EExtended strand (participates in β ladder)trans-113.2124.6176.3-61.7170.2000107.8W209 R210 Q212 V271 V285W209-L273 WeakPolarHBondContact CA-O 3.43Å; R210-L273 HydrophobicContact CB-CB 4.42Å; R210-L273 PolarHBondContact N-O 3.17Å; R210-L273 PolarHBondContact O-N 3.08Å; Q212-L273 HydrophobicContact CB-CD1 4.47Å; V271-L273 HydrophobicContact CG1-CD2 4.37Å; L273-V285 WeakPolarHBondContact CA-O 3.22Å
274A97.5Very high94.2Very high0 Ų031.3 Ų31.30%017%0.17CC..EExtended strand (participates in β ladder)trans-112122.1174.800000109.1L183 E208 W209 Q284 V285 L287L183-A274 HydrophobicContact CD1-CB 3.66Å; L183-A274 HydrophobicContact CD2-CB 3.8Å; L183-A274 HydrophobicContact CG-CB 4.33Å; E208-A274 CarbonylContact O-C 3.58Å; E208-A274 WeakPolarHBondContact O-CA 3.17Å; W209-A274 HydrophobicContact CD2-CB 3.91Å; W209-A274 HydrophobicContact CE3-CB 3.88Å; W209-A274 HydrophobicContact CH2-CB 3.64Å; W209-A274 HydrophobicContact CZ2-CB 3.64Å; W209-A274 HydrophobicContact CZ3-CB 3.75Å; A274-Q284 CarbonylContact O-C 3.49Å; A274-Q284 VanDerWaalsContact O-CA 3.28Å; A274-Q284 WeakPolarHBondContact O-CA 3.26Å; A274-V285 HydrophobicContact CB-CG2 3.94Å; A274-V285 PolarHBondContact N-O 3.11Å; A274-V285 PolarHBondContact O-N 2.96Å; A274-L287 HydrophobicContact CB-CD1 4.49Å
275T97.3Very high94.3Very high4 Ų431.4 Ų31.43%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-120.4127179.1-49.40000109.6E208 Q282 G283 Q284E208-T275 PolarHBondContact N-O 3.32Å; E208-T275 PolarHBondContact O-N 3.48Å; T275-Q282 HydrophobicContact CG2-CB 4.18Å; T275-G283 CarbonylContact C-O 3.55Å; T275-G283 VanDerWaalsContact CA-O 3.3Å; T275-G283 WeakPolarHBondContact CA-O 3.22Å; T275-Q284 HydrophobicContact CG2-CB 4.38Å; T275-Q284 WeakPolarHBondContact OG1-CG 3.32Å; T275-Q284 PolarHBondContact OG1-OE1 3.07Å
276V97.9Very high94.4Very high0 Ų028.5 Ų28.50%017%0.165CC..EExtended strand (participates in β ladder)trans-101.7123.8170.3-179.30000107.6V164 L183 F185 F205 G206 L207 Q282 G283V164-V276 HydrophobicContact CG1-CG2 4.08Å; V164-V276 HydrophobicContact CG2-CB 3.89Å; V164-V276 HydrophobicContact CG2-CG2 3.98Å; L183-V276 HydrophobicContact CD2-CG2 4.22Å; F185-V276 HydrophobicContact CB-CG2 4.18Å; F185-V276 HydrophobicContact CD1-CG1 4.4Å; F185-V276 HydrophobicContact CD1-CG2 3.98Å; F185-V276 HydrophobicContact CD2-CG1 3.95Å; F185-V276 HydrophobicContact CE2-CG1 4.2Å; F185-V276 HydrophobicContact CG-CG1 4.06Å; F185-V276 HydrophobicContact CG-CG2 4.09Å; F205-V276 HydrophobicContact CD2-CG1 4.24Å; G206-V276 CarbonylContact O-C 3.11Å; G206-V276 WeakPolarHBondContact O-CA 3.3Å; L207-V276 HydrophobicContact CD1-CG2 4.41Å; V276-Q282 VanDerWaalsContact O-CA 3.29Å; V276-Q282 WeakPolarHBondContact O-CA 3.41Å; V276-G283 PolarHBondContact N-O 2.98Å; V276-G283 PolarHBondContact O-N 2.85Å
277H96.3Very high94.6Very high6 Ų627.5 Ų27.53%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-104.1128.8179.2-64.1-87.6000109.3W108 L112 F205 G206 E208W108-H277 AromaticContact CH2-CD2 3.71Å; L112-H277 HydrophobicContact CD1-CB 3.69Å; F205-H277 CarbonylContact C-O 3.54Å; F205-H277 VanDerWaalsContact CA-O 3.31Å; F205-H277 WeakPolarHBondContact CA-O 3.48Å; F205-H277 WeakPolarHBondContact CB-O 3.39Å; G206-H277 PolarHBondContact N-O 2.93Å; G206-H277 PolarHBondContact O-N 3.25Å; E208-H277 IonicContact OE2-CE1 3.78Å; E208-H277 IonicContact OE2-NE2 2.64Å; E208-H277 PolarHBondContact OE2-NE2 3.23Å
278L94Very high94.9Very high5 Ų528.6 Ų28.63%0.02615%0.154CC..EExtended strand (participates in β ladder)trans-119.6170.3166.7-79.3169.4000107.6L162 Y187 P203 F205 W244 Y280 L281L162-L278 HydrophobicContact CD1-CD1 3.78Å; L162-L278 HydrophobicContact CD2-CD1 4.24Å; L162-L278 HydrophobicContact CG-CD1 4.44Å; Y187-L278 HydrophobicContact CD1-CD1 4.37Å; Y187-L278 HydrophobicContact CD2-CD1 3.44Å; Y187-L278 VanDerWaalsContact CD2-CD1 3.44Å; Y187-L278 HydrophobicContact CE2-CD1 4.01Å; Y187-L278 HydrophobicContact CG-CD1 3.66Å; P203-L278 HydrophobicContact CG-CD2 4.11Å; F205-L278 HydrophobicContact CB-CD2 3.88Å; W244-L278 HydrophobicContact CZ2-CD2 4.24Å; L278-Y280 PolarHBondContact O-N 3.34Å; L278-L281 HydrophobicContact CB-CB 4.07Å; L278-L281 PolarHBondContact N-O 3.38Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L281 VanDerWaalsContact O-N 3.11Å
279P90.9Very high95Very high46 Ų4628 Ų2830%0.29915%0.151SC..THydrogen-bonded Turntrans-52.2114.8175.3-25.634.3000110.7L112 L281L112-P279 WeakPolarHBondContact O-CB 3.4Å; L112-P279 WeakPolarHBondContact O-CG 3.38Å; P279-L281 PolarHBondContact O-N 2.86Å
280Y91.4Very high95.2Very high11 Ų1127.7 Ų27.74%0.04315%0.153CC..THydrogen-bonded Turntrans61.2-1.9-177.4-54.4-100.4000117.2P101 F102 P103 E115 N117 P119 L122 L278P101-Y280 CarbonylContact C-O 3.54Å; P101-Y280 WeakPolarHBondContact CA-O 3.36Å; F102-Y280 PolarHBondContact N-O 3.06Å; F102-Y280 CarbonylContact O-C 3.56Å; F102-Y280 WeakPolarHBondContact O-CA 3.32Å; P103-Y280 HydrophobicContact CG-CD1 3.82Å; P103-Y280 HydrophobicContact CG-CE1 3.6Å; E115-Y280 PolarHBondContact O-OH 2.86Å; N117-Y280 PolarHBondContact O-OH 2.87Å; P119-Y280 VanDerWaalsContact CD-CZ 3.4Å; P119-Y280 HydrophobicContact CG-CD2 3.84Å; P119-Y280 HydrophobicContact CG-CE2 3.53Å; L122-Y280 VanDerWaalsContact CD1-CB 3.43Å; L122-Y280 HydrophobicContact CD1-CD2 3.9Å; L122-Y280 HydrophobicContact CD1-CG 3.71Å; L278-Y280 PolarHBondContact O-N 3.34Å
281L94.6Very high95.3Very high5 Ų527 Ų273%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-117.5142.3-175.7-57.6-179.6000109.8F99 P101 L122 W126 L141 V161 L162 Y187 L278 P279F99-L281 HydrophobicContact CE1-CD2 3.91Å; P101-L281 HydrophobicContact CB-CD2 4.31Å; P101-L281 HydrophobicContact CG-CD2 4.43Å; L122-L281 HydrophobicContact CD2-CD2 4.28Å; W126-L281 HydrophobicContact CE3-CD2 4.29Å; W126-L281 HydrophobicContact CH2-CD1 4.26Å; W126-L281 HydrophobicContact CH2-CD2 3.98Å; W126-L281 HydrophobicContact CZ2-CD2 4.49Å; W126-L281 HydrophobicContact CZ3-CD1 4.33Å; W126-L281 HydrophobicContact CZ3-CD2 3.85Å; L141-L281 HydrophobicContact CD1-CB 3.9Å; L141-L281 HydrophobicContact CD1-CD2 4.03Å; L141-L281 HydrophobicContact CD1-CG 4.41Å; V161-L281 HydrophobicContact CG1-CD1 3.9Å; L162-L281 HydrophobicContact CD2-CB 4.47Å; Y187-L281 HydrophobicContact CE2-CD1 4.24Å; L278-L281 HydrophobicContact CB-CB 4.07Å; L278-L281 PolarHBondContact N-O 3.38Å; L278-L281 PolarHBondContact O-N 3.09Å; L278-L281 VanDerWaalsContact O-N 3.11Å; P279-L281 PolarHBondContact O-N 2.86Å
282Q95.9Very high95.4Very high83 Ų8326.9 Ų26.939%0.38814%0.141SC..EExtended strand (participates in β ladder)trans-143.8138.4172.962.5177.518.600110.8F99 T275 V276F99-Q282 HydrophobicContact CE2-CG 4.23Å; F99-Q282 HydrophobicContact CZ-CG 4.38Å; T275-Q282 HydrophobicContact CG2-CB 4.18Å; V276-Q282 VanDerWaalsContact O-CA 3.29Å; V276-Q282 WeakPolarHBondContact O-CA 3.41Å
283G96.1Very high95.4Very high1 Ų128.5 Ų28.51%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-120138.7170.500000109.6T275 V276T275-G283 CarbonylContact C-O 3.55Å; T275-G283 VanDerWaalsContact CA-O 3.3Å; T275-G283 WeakPolarHBondContact CA-O 3.22Å; V276-G283 PolarHBondContact N-O 2.98Å; V276-G283 PolarHBondContact O-N 2.85Å
284Q96.4Very high95.3Very high100 Ų10028.9 Ų28.947%0.46715%0.154SC..EExtended strand (participates in β ladder)trans-132.3132-176.9-175.1-178.7-82.500111.5S139 A274 T275S139-Q284 WeakPolarHBondContact CB-O 3.45Å; S139-Q284 PolarHBondContact OG-N 3.46Å; S139-Q284 PolarHBondContact OG-O 3.16Å; A274-Q284 CarbonylContact O-C 3.49Å; A274-Q284 VanDerWaalsContact O-CA 3.28Å; A274-Q284 WeakPolarHBondContact O-CA 3.26Å; T275-Q284 HydrophobicContact CG2-CB 4.38Å; T275-Q284 WeakPolarHBondContact OG1-CG 3.32Å; T275-Q284 PolarHBondContact OG1-OE1 3.07Å
285V97.1Very high95.3Very high3 Ų328.9 Ų28.92%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-120.3151.4171.7-63.60000111.1V164 T166 L183 L273 A274 L287V164-V285 HydrophobicContact CB-CG1 4.21Å; V164-V285 HydrophobicContact CG1-CG1 3.92Å; V164-V285 HydrophobicContact CG1-CG2 4.01Å; V164-V285 WeakPolarHBondContact O-CG1 3.32Å; T166-V285 HydrophobicContact CG2-CB 4.29Å; T166-V285 HydrophobicContact CG2-CG2 4.17Å; L183-V285 HydrophobicContact CD1-CG2 3.38Å; L273-V285 WeakPolarHBondContact CA-O 3.22Å; A274-V285 HydrophobicContact CB-CG2 3.94Å; A274-V285 PolarHBondContact N-O 3.11Å; A274-V285 PolarHBondContact O-N 2.96Å; V285-L287 HydrophobicContact CG2-CD1 4.08Å
286S95.1Very high95.2Very high57 Ų5736.9 Ų36.940%0.39918%0.184SC..EExtended strand (participates in β ladder)trans-109.2140.6175.257.40000111.4Y272Y272-S286 CarbonylContact O-C 3.53Å; Y272-S286 WeakPolarHBondContact O-CA 3.38Å
287L95.8Very high95.1Very high2 Ų238 Ų381%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-130.2141.7175.7-60.985.1000109.6T166 P169 L181 W209 V271 Y272 A274 V285T166-L287 HydrophobicContact CG2-CD1 4.15Å; T166-L287 HydrophobicContact CG2-CD2 4.33Å; T166-L287 HydrophobicContact CG2-CG 3.96Å; T166-L287 WeakPolarHBondContact OG1-CD2 3.46Å; P169-L287 CarbonylContact O-C 3.48Å; P169-L287 VanDerWaalsContact O-CA 3.26Å; P169-L287 WeakPolarHBondContact O-CA 3.39Å; L181-L287 HydrophobicContact CB-CD2 4.05Å; W209-L287 HydrophobicContact CH2-CD1 3.97Å; W209-L287 HydrophobicContact CH2-CD2 4.29Å; W209-L287 HydrophobicContact CZ3-CD1 3.99Å; V271-L287 CarbonylContact C-O 3.57Å; V271-L287 WeakPolarHBondContact CA-O 3.44Å; Y272-L287 PolarHBondContact N-O 2.79Å; Y272-L287 PolarHBondContact O-N 3.01Å; A274-L287 HydrophobicContact CB-CD1 4.49Å; V285-L287 HydrophobicContact CG2-CD1 4.08Å
288E94.9Very high95.1Very high115 Ų11540 Ų4054%0.53721%0.205SC..EExtended strand (participates in β ladder)trans-10997.6176.5-171.3170.3-168.700110.6P169 A170 P171 T290P169-E288 PolarHBondContact O-N 2.81Å; A170-E288 CarbonylContact C-O 3.46Å; A170-E288 WeakPolarHBondContact CA-O 3.39Å; P171-E288 WeakPolarHBondContact CD-O 3.44Å; E288-T290 PolarHBondContact O-N 3.09Å
289L95.1Very high95.1Very high2 Ų240.4 Ų40.41%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-79.5120.9179.6177.264.3000110.1P171 V173 A179 L181 L261 V264 G270 Y272P171-L289 HydrophobicContact CB-CD1 4.22Å; P171-L289 HydrophobicContact CG-CB 4.44Å; P171-L289 HydrophobicContact CG-CD1 4.07Å; V173-L289 HydrophobicContact CB-CD1 4.21Å; V173-L289 HydrophobicContact CG2-CD1 3.69Å; A179-L289 HydrophobicContact CB-CD1 4.32Å; L181-L289 HydrophobicContact CD2-CD1 4.12Å; L261-L289 HydrophobicContact CD2-CD2 4.45Å; V264-L289 HydrophobicContact CG1-CD2 4.26Å; G270-L289 PolarHBondContact N-O 2.92Å; G270-L289 VanDerWaalsContact N-O 3.16Å; G270-L289 PolarHBondContact O-N 3.18Å; Y272-L289 HydrophobicContact CD2-CB 3.72Å; Y272-L289 HydrophobicContact CD2-CD2 4.36Å; Y272-L289 HydrophobicContact CE2-CB 3.61Å; Y272-L289 HydrophobicContact CE2-CD2 3.55Å; Y272-L289 HydrophobicContact CE2-CG 4.2Å
290T94.3Very high95.2Very high47 Ų4742 Ų4229%0.28822%0.217SC..EExtended strand (participates in β ladder)trans-117.2145.1172.160.40000110.8P171 R172 V173 E288P171-T290 PolarHBondContact O-N 3.22Å; P171-T290 PolarHBondContact O-OG1 2.96Å; R172-T290 CarbonylContact C-O 3.51Å; R172-T290 WeakPolarHBondContact CA-O 3.18Å; R172-T290 WeakPolarHBondContact CG-OG1 3.26Å; V173-T290 PolarHBondContact N-O 2.99Å; E288-T290 PolarHBondContact O-N 3.09Å
291V94.6Very high95.2Very high4 Ų443.9 Ų43.92%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-110.1141.7-177.5177.20000108.5V173 L175 V264 E269 F324V173-V291 CarbonylContact O-C 3.58Å; V173-V291 VanDerWaalsContact O-CA 3.27Å; V173-V291 WeakPolarHBondContact O-CA 3.49Å; L175-V291 HydrophobicContact CB-CG1 3.65Å; L175-V291 HydrophobicContact CD1-CG1 4.44Å; L175-V291 HydrophobicContact CG-CG1 4.2Å; V264-V291 HydrophobicContact CG1-CG2 3.49Å; V264-V291 VanDerWaalsContact CG1-CG2 3.49Å; E269-V291 HydrophobicContact CG-CB 3.77Å; E269-V291 HydrophobicContact CG-CG2 3.51Å; E269-V291 WeakPolarHBondContact OE1-CA 3.38Å; E269-V291 WeakPolarHBondContact OE1-CB 3.43Å; E269-V291 PolarHBondContact OE1-N 2.87Å; V291-F324 HydrophobicContact CB-CD1 4.23Å; V291-F324 HydrophobicContact CB-CE1 4.21Å; V291-F324 HydrophobicContact CG1-CD1 4.13Å; V291-F324 WeakPolarHBondContact O-CD1 3.49Å
292H95.3Very high94.8Very high48 Ų4846.2 Ų46.222%0.22225%0.25CS..EExtended strand (participates in β ladder)trans-142154.3175.468.4-72.2000111.7V173 Q174 L175 F324V173-H292 PolarHBondContact O-N 3.48Å; V173-H292 PolarHBondContact O-ND1 2.81Å; Q174-H292 CarbonylContact C-O 3.59Å; Q174-H292 WeakPolarHBondContact CA-O 3.37Å; L175-H292 PolarHBondContact N-O 2.87Å; H292-F324 CarbonylContact C-O 3.58Å; H292-F324 WeakPolarHBondContact CA-O 3.27Å
293K96Very high94.3Very high35 Ų3547.1 Ų47.115%0.15226%0.263CS..BIsolated β-bridgetrans-148.1127.4171.6-165.8176.6177.5175.90108.6L175 H322 F323 F324 D360 S391L175-K293 HydrophobicContact CB-CB 4.02Å; L175-K293 HydrophobicContact CB-CD 4.09Å; L175-K293 HydrophobicContact CB-CG 4.42Å; L175-K293 HydrophobicContact CD1-CD 4.32Å; L175-K293 HydrophobicContact CD2-CD 4.2Å; L175-K293 HydrophobicContact CG-CD 4.45Å; K293-H322 HydrophobicContact CD-CB 4.49Å; K293-H322 WeakPolarHBondContact CD-O 3.22Å; K293-H322 VanDerWaalsContact CE-O 3.28Å; K293-H322 WeakPolarHBondContact CE-O 3.2Å; K293-H322 VanDerWaalsContact CG-O 3.26Å; K293-H322 WeakPolarHBondContact CG-O 3.42Å; K293-F323 WeakPolarHBondContact O-CA 3.36Å; K293-F324 HydrophobicContact CB-CB 4.17Å; K293-F324 PolarHBondContact N-O 3.09Å; K293-F324 PolarHBondContact O-N 2.91Å; K293-F324 VanDerWaalsContact O-N 3.16Å; K293-D360 IonicContact NZ-OD2 2.7Å; K293-D360 PolarHBondContact NZ-OD2 2.83Å; K293-S391 PolarHBondContact O-OG 2.93Å
294A95.4Very high93.8Very high32 Ų3249.6 Ų49.626%0.26428%0.278SS..PPolyproline II helixtrans-73133.2178.300000111.1S391 L392A294-S391 VanDerWaalsContact CA-OG 3.23Å; A294-S391 WeakPolarHBondContact CA-OG 3.41Å; A294-S391 PolarHBondContact N-OG 3.49Å; A294-L392 HydrophobicContact CB-CD2 4.1Å
295P96.7Very high93.4Very high0 Ų045.1 Ų45.10%026%0.258CS..PPolyproline II helixtrans-63.4141.6176.124.9-32.6000111.3A320 S321 F323 V387 H389 L392 R397P295-A320 HydrophobicContact CB-CB 4.15Å; P295-S321 WeakPolarHBondContact CA-O 3.36Å; P295-F323 HydrophobicContact CB-CB 3.67Å; P295-F323 HydrophobicContact CB-CD1 4.19Å; P295-F323 HydrophobicContact CB-CG 4.14Å; P295-F323 HydrophobicContact CG-CB 4.24Å; P295-V387 HydrophobicContact CG-CG1 4.25Å; P295-H389 HydrophobicContact CG-CB 4.29Å; P295-L392 HydrophobicContact CG-CD1 3.71Å; P295-L392 HydrophobicContact CG-CD2 4.38Å; P295-L392 HydrophobicContact CG-CG 4.09Å; P295-R397 PolarHBondContact O-NH1 3.49Å
296R95.4Very high92.8Very high172 Ų17252.2 Ų52.265%0.64928%0.284SS*.EExtended strand (participates in β ladder)trans-89.2116.7162.1-64177.2-176.4-174.6-0.1107.4L319 S321R296-L319 VanDerWaalsContact O-O 3.11Å; R296-S321 WeakPolarHBondContact CB-OG 3.29Å; R296-S321 PolarHBondContact N-O 2.78Å; R296-S321 PolarHBondContact O-N 2.7Å; R296-S321 PolarHBondContact O-OG 3.03Å; R296-S321 VanDerWaalsContact O-OG 3.07Å
297V96.1Very high92.4Very high25 Ų2549.8 Ų49.815%0.15227%0.267CS..EExtended strand (participates in β ladder)trans-97124-177.6-1760000108L319 V387 R397 A399V297-L319 WeakPolarHBondContact CA-O 3.2Å; V297-V387 HydrophobicContact CB-CG2 4.41Å; V297-V387 HydrophobicContact CG1-CG2 3.78Å; V297-V387 HydrophobicContact CG2-CB 3.75Å; V297-V387 HydrophobicContact CG2-CG1 4.33Å; V297-V387 HydrophobicContact CG2-CG2 3.67Å; V297-R397 HydrophobicContact CB-CG 4.08Å; V297-R397 HydrophobicContact CG2-CB 4.01Å; V297-R397 HydrophobicContact CG2-CG 3.76Å; V297-A399 HydrophobicContact CG1-CB 3.96Å
298S95.2Very high91.9Very high47 Ų4751.3 Ų51.333%0.32928%0.281SS..EExtended strand (participates in β ladder)trans-132.9152172.861.10000109.8C318 L319S298-C318 CarbonylContact O-C 3.57Å; S298-C318 WeakPolarHBondContact O-CA 3.32Å; S298-L319 PolarHBondContact N-O 3.33Å; S298-L319 PolarHBondContact O-N 2.99Å
299L95Very high91.4Very high14 Ų1449.6 Ų49.67%0.07328%0.28CS..EExtended strand (participates in β ladder)trans-119.9137.6-179.8-170.962.2000109.3A302 L316 L317 C318 W333 C385 A399 V401L299-A302 WeakPolarHBondContact O-CB 3.45Å; L299-L316 HydrophobicContact CD1-CB 4.44Å; L299-L317 CarbonylContact C-O 3.42Å; L299-L317 WeakPolarHBondContact CA-O 3.31Å; L299-C318 HydrophobicContact CD1-CB 4.01Å; L299-W333 HydrophobicContact CD1-CH2 3.43Å; L299-W333 VanDerWaalsContact CD1-CH2 3.43Å; L299-W333 HydrophobicContact CD1-CZ3 3.61Å; L299-C385 HydrophobicContact CD1-CB 4.25Å; L299-A399 HydrophobicContact CB-CB 3.93Å; L299-V401 HydrophobicContact CD2-CB 3.69Å; L299-V401 HydrophobicContact CD2-CG1 3.53Å; L299-V401 HydrophobicContact CG-CG1 4.42Å
300T93.6Very high90.9Very high79 Ų7952.4 Ų52.449%0.48531%0.309SS..EExtended strand (participates in β ladder)trans-137.5129.9-178.9-50.40000109.5L317T300-L317 PolarHBondContact N-O 3.1Å; T300-L317 PolarHBondContact O-N 2.71Å
301P91.4Very high90.5Very high50 Ų5055.7 Ų55.733%0.32532%0.321SS..SBendcis-70147.8-6.2-14.630.4000112.5V305 P314 V401P301-V305 HydrophobicContact CB-CG2 3.92Å; P301-V305 HydrophobicContact CG-CG2 4.22Å; P301-P314 HydrophobicContact CG-CB 4.49Å; P301-P314 HydrophobicContact CG-CG 4.25Å; P301-V401 WeakPolarHBondContact O-CG2 3.41Å
302A86.3Confident90.2Very high54 Ų5457.8 Ų57.845%0.44634%0.339SS..  trans-148.7153.6173.700000109L299L299-A302 WeakPolarHBondContact O-CB 3.45Å
303P84.1Confident89.8Confident102 Ų10255.9 Ų55.966%0.66233%0.331SS*.SBendcis-89.2-10.4834.1-34.4000115.1V401 T402P303-V401 WeakPolarHBondContact O-CG2 3.37Å; P303-T402 PolarHBondContact O-N 3.4Å
304V85.6Confident89.6Confident54 Ų5457.2 Ų57.233%0.32734%0.343SS..EExtended strand (participates in β ladder)trans-132.5141.6-175.2-179.50000110.7W306 T402 E404V304-W306 HydrophobicContact CG1-CD2 4.45Å; V304-W306 HydrophobicContact CG1-CZ2 4Å; V304-T402 CarbonylContact C-O 3.59Å; V304-T402 WeakPolarHBondContact CA-O 3.38Å; V304-E404 HydrophobicContact CG1-CB 4.01Å; V304-E404 HydrophobicContact CG1-CG 3.42Å; V304-E404 VanDerWaalsContact CG1-CG 3.42Å
305V88.4Confident89.5Confident6 Ų659.6 Ų59.64%0.03635%0.348CS..EExtended strand (participates in β ladder)trans-123.8136174.3168.60000109.5P301 P313 P314 L316 V401 T402 L403 E404P301-V305 HydrophobicContact CB-CG2 3.92Å; P301-V305 HydrophobicContact CG-CG2 4.22Å; V305-P313 HydrophobicContact CG1-CB 3.8Å; V305-P314 HydrophobicContact CG1-CG 3.63Å; V305-L316 HydrophobicContact CG2-CD2 3.89Å; V305-V401 HydrophobicContact CB-CG2 4.26Å; V305-V401 HydrophobicContact CG2-CG2 3.67Å; V305-T402 PolarHBondContact N-O 2.81Å; V305-L403 HydrophobicContact CG1-CD1 4.36Å; V305-L403 WeakPolarHBondContact O-CA 3.49Å; V305-E404 PolarHBondContact O-N 2.81Å
306W84.8Confident89.4Confident151 Ų15159.6 Ų59.657%0.57235%0.349SS*.EExtended strand (participates in β ladder)trans-111.7142.8-177.3-59.986.4000111.2V304 E404V304-W306 HydrophobicContact CG1-CD2 4.45Å; V304-W306 HydrophobicContact CG1-CZ2 4Å; W306-E404 WeakPolarHBondContact CA-O 3.44Å; W306-E404 HydrophobicContact CD2-CB 3.68Å; W306-E404 HydrophobicContact CE3-CB 3.33Å; W306-E404 HydrophobicContact CE3-CG 4.38Å; W306-E404 HydrophobicContact CG-CB 4.49Å; W306-E404 HydrophobicContact CH2-CB 3.68Å; W306-E404 HydrophobicContact CH2-CG 3.9Å; W306-E404 HydrophobicContact CZ2-CB 4.01Å; W306-E404 HydrophobicContact CZ2-CG 4.05Å; W306-E404 HydrophobicContact CZ3-CB 3.35Å; W306-E404 HydrophobicContact CZ3-CG 4.09Å
307A86.9Confident89.4Confident6 Ų653.9 Ų53.95%0.0533%0.331CS..EExtended strand (participates in β ladder)trans-153.2145.8169.600000110.9P313 V374 E404 V405 A406A307-P313 HydrophobicContact CB-CB 4.15Å; A307-P313 HydrophobicContact CB-CG 3.79Å; A307-V374 HydrophobicContact CB-CG2 3.61Å; A307-E404 PolarHBondContact N-O 3.46Å; A307-V405 WeakPolarHBondContact O-CA 3.36Å; A307-A406 PolarHBondContact O-N 3.07Å
308A85.2Confident89.4Confident35 Ų3552.8 Ų52.829%0.28932%0.324SS..  trans-74.4154.6171.400000111G310 E311A308-G310 PolarHBondContact O-N 3.08Å; A308-E311 HydrophobicContact CB-CB 4.2Å; A308-E311 WeakPolarHBondContact O-CB 3.44Å; A308-E311 PolarHBondContact O-N 3.26Å
309P84.7Confident89.5Confident79 Ų7952.5 Ų52.551%0.51332%0.318SS..THydrogen-bonded Turntrans-55.8126.5172.1-22.231.5000111.2E311 V405 A406P309-E311 VanDerWaalsContact C-N 3.31Å; P309-V405 HydrophobicContact CB-CG1 4.47Å; P309-V405 HydrophobicContact CG-CG1 3.71Å; P309-A406 WeakPolarHBondContact CD-O 3.08Å
310G83.5Confident89.6Confident61 Ų6151.9 Ų51.963%0.62932%0.315SS*.THydrogen-bonded Turntrans84.3-0.3-176.800000115A308 V374A308-G310 PolarHBondContact O-N 3.08Å; G310-V374 PolarHBondContact N-O 2.97Å
311E87.3Confident89.7Confident115 Ų11549 Ų4954%0.53730%0.299SS..SBendtrans-100.4147.5172-166.9175.1-172.700110.8A308 P309 P373 V374A308-E311 HydrophobicContact CB-CB 4.2Å; A308-E311 WeakPolarHBondContact O-CB 3.44Å; A308-E311 PolarHBondContact O-N 3.26Å; P309-E311 VanDerWaalsContact C-N 3.31Å; E311-P373 WeakPolarHBondContact O-CA 3.04Å; E311-V374 WeakPolarHBondContact O-CG2 3.49Å; E311-V374 PolarHBondContact O-N 3.49Å
312A86.8Confident89.9Confident49 Ų4949.5 Ų49.541%0.40530%0.296SS..PPolyproline II helixtrans-83.5128.2173.700000109.8
313P88.1Confident90.4Very high7 Ų746.9 Ų46.95%0.04528%0.275CS..PPolyproline II helixtrans-58.7159.7172.7-20.830.2000112.3V305 A307 L371 V374 L403V305-P313 HydrophobicContact CG1-CB 3.8Å; A307-P313 HydrophobicContact CB-CB 4.15Å; A307-P313 HydrophobicContact CB-CG 3.79Å; P313-L371 HydrophobicContact CB-CD1 4.07Å; P313-L371 HydrophobicContact CG-CB 4.24Å; P313-L371 HydrophobicContact CG-CD1 3.98Å; P313-V374 HydrophobicContact CG-CG1 3.43Å; P313-V374 VanDerWaalsContact CG-CG1 3.43Å; P313-V374 HydrophobicContact CG-CG2 4.37Å; P313-L403 HydrophobicContact CB-CD1 4.39Å; P313-L403 HydrophobicContact CG-CD1 3.91Å
314P90.6Very high90.9Very high63 Ų6343.2 Ų43.241%0.40925%0.249SC..PPolyproline II helixtrans-55.8150.6170.425.9-35.9000111.2P301 V305 L316P301-P314 HydrophobicContact CG-CB 4.49Å; P301-P314 HydrophobicContact CG-CG 4.25Å; V305-P314 HydrophobicContact CG1-CG 3.63Å; P314-L316 PolarHBondContact O-N 2.97Å
315E93.3Very high91.4Very high82 Ų8242.6 Ų42.638%0.38325%0.246SC..PPolyproline II helixtrans-57.9131.9176.7-173-172.5147.700111.2W351 H368E315-W351 WeakPolarHBondContact OE1-CZ2 3.35Å; E315-H368 WeakPolarHBondContact OE1-CB 3.29Å; E315-H368 IonicContact OE1-CE1 3.56Å; E315-H368 IonicContact OE1-CG 2.79Å; E315-H368 IonicContact OE1-ND1 3.61Å; E315-H368 PolarHBondContact OE1-ND1 2.83Å
316L94.4Very high91.6Very high1 Ų143.9 Ų43.91%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-90.7124.2176.1-57.5-175.6000109.9L299 V305 P314 W333 L369 L371 Y383 V401L299-L316 HydrophobicContact CD1-CB 4.44Å; V305-L316 HydrophobicContact CG2-CD2 3.89Å; P314-L316 PolarHBondContact O-N 2.97Å; L316-W333 HydrophobicContact CB-CH2 3.88Å; L316-W333 HydrophobicContact CB-CZ3 4.19Å; L316-W333 HydrophobicContact CD1-CZ3 4.39Å; L316-L369 HydrophobicContact CB-CB 4.26Å; L316-L369 HydrophobicContact CD1-CD2 4.09Å; L316-L369 PolarHBondContact N-O 3.08Å; L316-L369 PolarHBondContact O-N 3.16Å; L316-L371 HydrophobicContact CD1-CD1 3.93Å; L316-L371 HydrophobicContact CG-CD1 4.25Å; L316-Y383 HydrophobicContact CD1-CD1 4.48Å; L316-Y383 HydrophobicContact CD1-CD2 4.38Å; L316-Y383 HydrophobicContact CD1-CG 3.98Å; L316-V401 HydrophobicContact CD1-CG1 3.93Å; L316-V401 HydrophobicContact CD2-CG1 4.19Å
317L95.8Very high91.8Very high52 Ų5244.7 Ų44.727%0.27227%0.267SS..EExtended strand (participates in β ladder)trans-110.6112.5178.2-171153.7000109.8L299 T300 L319L299-L317 CarbonylContact C-O 3.42Å; L299-L317 WeakPolarHBondContact CA-O 3.31Å; T300-L317 PolarHBondContact N-O 3.1Å; T300-L317 PolarHBondContact O-N 2.71Å; L317-L319 HydrophobicContact CD2-CB 3.9Å
318C96.6Very high91.9Very high1 Ų147.1 Ų47.11%0.00729%0.293CS..EExtended strand (participates in β ladder)trans-95108.4172-176.90000110.3S298 L299 W333 S366 G367 C385S298-C318 CarbonylContact O-C 3.57Å; S298-C318 WeakPolarHBondContact O-CA 3.32Å; L299-C318 HydrophobicContact CD1-CB 4.01Å; C318-W333 HydrophobicContact CB-CH2 3.57Å; C318-W333 HydrophobicContact CB-CZ2 3.56Å; C318-W333 HydrophobicContact CB-CZ3 4.47Å; C318-S366 CarbonylContact O-C 3.59Å; C318-S366 VanDerWaalsContact O-CA 3.25Å; C318-S366 WeakPolarHBondContact O-CA 3.36Å; C318-G367 PolarHBondContact N-O 3.31Å; C318-G367 PolarHBondContact O-N 2.96Å; C318-C385 HydrophobicContact CB-CB 3.55Å; C318-C385 WeakPolarHBondContact CB-SG 3.35Å; C318-C385 WeakPolarHBondContact SG-CB 3.28Å; C318-C385 CovalentContact SG-SG 2.01Å; C318-C385 PolarHBondContact SG-SG 3.03Å
319L97.1Very high92.3Very high41 Ų4146.4 Ų46.422%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-94115.8-179.5178.864.6000110.5R296 V297 S298 L317R296-L319 VanDerWaalsContact O-O 3.11Å; V297-L319 WeakPolarHBondContact CA-O 3.2Å; S298-L319 PolarHBondContact N-O 3.33Å; S298-L319 PolarHBondContact O-N 2.99Å; L317-L319 HydrophobicContact CD2-CB 3.9Å
320A97.3Very high92.8Very high1 Ų147.2 Ų47.21%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-93.2100.516400000108.6P295 F323 L329 S364 Q365 V387P295-A320 HydrophobicContact CB-CB 4.15Å; A320-F323 HydrophobicContact CB-CD1 4.28Å; A320-F323 HydrophobicContact CB-CE1 4.19Å; A320-L329 HydrophobicContact CB-CD1 4.21Å; A320-L329 HydrophobicContact CB-CD2 4.05Å; A320-S364 VanDerWaalsContact O-CA 3.28Å; A320-S364 WeakPolarHBondContact O-CA 3.38Å; A320-S364 WeakPolarHBondContact O-CB 3.27Å; A320-Q365 PolarHBondContact N-O 3.19Å; A320-Q365 PolarHBondContact O-N 2.91Å; A320-V387 HydrophobicContact CB-CG1 4.33Å
321S96.4Very high93.3Very high20 Ų2045.8 Ų45.814%0.1426%0.26CS..EExtended strand (participates in β ladder)trans-101.6146.1-174.4600000113.5P295 R296 F323 S364P295-S321 WeakPolarHBondContact CA-O 3.36Å; R296-S321 WeakPolarHBondContact CB-OG 3.29Å; R296-S321 PolarHBondContact N-O 2.78Å; R296-S321 PolarHBondContact O-N 2.7Å; R296-S321 PolarHBondContact O-OG 3.03Å; R296-S321 VanDerWaalsContact O-OG 3.07Å; S321-F323 PolarHBondContact O-N 2.99Å; S321-S364 WeakPolarHBondContact CA-OG 3.06Å
322H95.4Very high93.6Very high59 Ų5944.8 Ų44.827%0.27325%0.254SS..EExtended strand (participates in β ladder)trans45.661.9174.9-65.5-75.3000115K293 H358 D360 S362 V363 S364K293-H322 HydrophobicContact CD-CB 4.49Å; K293-H322 WeakPolarHBondContact CD-O 3.22Å; K293-H322 VanDerWaalsContact CE-O 3.28Å; K293-H322 WeakPolarHBondContact CE-O 3.2Å; K293-H322 VanDerWaalsContact CG-O 3.26Å; K293-H322 WeakPolarHBondContact CG-O 3.42Å; H322-H358 AromaticContact CE1-CD2 3.82Å; H322-H358 AromaticContact CE1-CE1 3.41Å; H322-H358 PolarHBondContact CE1-CE1 3.12Å; H322-H358 VanDerWaalsContact CE1-CE1 3.41Å; H322-H358 AromaticContact CE1-CG 3.6Å; H322-H358 AromaticContact CE1-ND1 3.35Å; H322-H358 PolarHBondContact CE1-ND1 2.7Å; H322-H358 VanDerWaalsContact CE1-ND1 3.35Å; H322-H358 AromaticContact CE1-NE2 3.7Å; H322-H358 AromaticContact ND1-CD2 3.68Å; H322-H358 AromaticContact ND1-CG 3.75Å; H322-H358 AromaticContact ND1-ND1 3.96Å; H322-H358 AromaticContact ND1-NE2 3.84Å; H322-H358 AromaticContact NE2-CE1 3.85Å; H322-D360 IonicContact ND1-OD2 3.71Å; H322-S362 PolarHBondContact ND1-OG 2.76Å; H322-V363 WeakPolarHBondContact CA-O 3.37Å; H322-V363 PolarHBondContact N-O 2.88Å; H322-S364 PolarHBondContact N-OG 2.71Å
323F95.8Very high93.9Very high0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-115.9163.6175.370.2-86.3000112.5K293 P295 A320 S321 P325 L329 V363 Q365 H389K293-F323 WeakPolarHBondContact O-CA 3.36Å; P295-F323 HydrophobicContact CB-CB 3.67Å; P295-F323 HydrophobicContact CB-CD1 4.19Å; P295-F323 HydrophobicContact CB-CG 4.14Å; P295-F323 HydrophobicContact CG-CB 4.24Å; A320-F323 HydrophobicContact CB-CD1 4.28Å; A320-F323 HydrophobicContact CB-CE1 4.19Å; S321-F323 PolarHBondContact O-N 2.99Å; F323-P325 VanDerWaalsContact CD2-O 3.25Å; F323-P325 WeakPolarHBondContact CD2-O 3.46Å; F323-P325 WeakPolarHBondContact CE2-O 3.41Å; F323-L329 HydrophobicContact CD1-CD1 4.47Å; F323-L329 HydrophobicContact CD2-CD1 4.22Å; F323-L329 HydrophobicContact CE1-CD1 4.2Å; F323-L329 HydrophobicContact CE1-CD2 3.96Å; F323-L329 HydrophobicContact CE2-CB 4.01Å; F323-L329 HydrophobicContact CE2-CD1 3.96Å; F323-L329 HydrophobicContact CE2-CD2 4.35Å; F323-L329 HydrophobicContact CE2-CG 4.32Å; F323-L329 HydrophobicContact CG-CD1 4.49Å; F323-L329 HydrophobicContact CZ-CB 4.11Å; F323-L329 HydrophobicContact CZ-CD1 3.96Å; F323-L329 HydrophobicContact CZ-CD2 3.65Å; F323-L329 HydrophobicContact CZ-CG 4.11Å; F323-V363 HydrophobicContact CD1-CG2 4.31Å; F323-V363 WeakPolarHBondContact CD1-O 3.37Å; F323-V363 HydrophobicContact CD2-CG2 3.89Å; F323-V363 HydrophobicContact CE1-CG2 4.01Å; F323-V363 HydrophobicContact CE2-CG2 3.55Å; F323-V363 HydrophobicContact CG-CG2 4.24Å; F323-V363 HydrophobicContact CZ-CG2 3.6Å; F323-V363 PolarHBondContact N-O 2.89Å; F323-V363 WeakPolarHBondContact O-CG2 3.4Å; F323-V363 PolarHBondContact O-N 2.88Å; F323-Q365 HydrophobicContact CE1-CB 4.26Å; F323-Q365 HydrophobicContact CZ-CB 4.34Å; F323-H389 AromaticContact CD2-NE2 3.83Å
324F95.4Very high94.1Very high25 Ų2544.2 Ų44.211%0.1124%0.241CC..BIsolated β-bridgetrans-160.9141.8175.4-170.2-88.4000109L175 P266 E269 V291 H292 K293 H389L175-F324 HydrophobicContact CD1-CB 4.11Å; L175-F324 HydrophobicContact CD1-CG 4.4Å; P266-F324 HydrophobicContact CB-CD2 4.18Å; P266-F324 HydrophobicContact CB-CE1 4.28Å; P266-F324 HydrophobicContact CB-CE2 3.57Å; P266-F324 HydrophobicContact CB-CZ 3.64Å; P266-F324 HydrophobicContact CG-CD1 4.5Å; P266-F324 HydrophobicContact CG-CD2 3.8Å; P266-F324 HydrophobicContact CG-CE1 4.45Å; P266-F324 HydrophobicContact CG-CE2 3.73Å; P266-F324 HydrophobicContact CG-CG 4.21Å; P266-F324 HydrophobicContact CG-CZ 4.08Å; E269-F324 WeakPolarHBondContact OE1-CE1 3.17Å; E269-F324 WeakPolarHBondContact OE2-CE1 3.5Å; E269-F324 WeakPolarHBondContact OE2-CZ 3.37Å; V291-F324 HydrophobicContact CB-CD1 4.23Å; V291-F324 HydrophobicContact CB-CE1 4.21Å; V291-F324 HydrophobicContact CG1-CD1 4.13Å; V291-F324 WeakPolarHBondContact O-CD1 3.49Å; H292-F324 CarbonylContact C-O 3.58Å; H292-F324 WeakPolarHBondContact CA-O 3.27Å; K293-F324 HydrophobicContact CB-CB 4.17Å; K293-F324 PolarHBondContact N-O 3.09Å; K293-F324 PolarHBondContact O-N 2.91Å; K293-F324 VanDerWaalsContact O-N 3.16Å; F324-H389 PolarHBondContact O-CE1 2.83Å
325P95Very high94Very high41 Ų4142.8 Ų42.827%0.26623%0.23SC..  cis-67171-1.428-35.7000113.9F323 H389F323-P325 VanDerWaalsContact CD2-O 3.25Å; F323-P325 WeakPolarHBondContact CD2-O 3.46Å; F323-P325 WeakPolarHBondContact CE2-O 3.41Å; P325-H389 PolarHBondContact O-NE2 3.39Å
326A92.3Very high93.7Very high32 Ų3244.1 Ų44.126%0.26423%0.232SC..SBendtrans-78.6-26179.600000113.1I355 V363A326-I355 HydrophobicContact CB-CD1 4.42Å; A326-V363 HydrophobicContact CB-CG1 4.21Å; A326-V363 HydrophobicContact CB-CG2 3.78Å
327E90.7Very high92.7Very high168 Ų16845.9 Ų45.979%0.78525%0.25SS*.THydrogen-bonded Turntrans-80.5148.5-178.1-62.9175.7-172.400111.5
328G88Confident91.1Very high57 Ų5745.5 Ų45.559%0.58826%0.259SS*.THydrogen-bonded Turntrans78.617.8174.600000115.5
329L94.3Very high88.8Confident20 Ų2051.1 Ų51.111%0.10530%0.295CS..  trans-76.7122.9166.4-169.485.1000109.9A320 F323 V331 Q365 V387 Y388 H389A320-L329 HydrophobicContact CB-CD1 4.21Å; A320-L329 HydrophobicContact CB-CD2 4.05Å; F323-L329 HydrophobicContact CD1-CD1 4.47Å; F323-L329 HydrophobicContact CD2-CD1 4.22Å; F323-L329 HydrophobicContact CE1-CD1 4.2Å; F323-L329 HydrophobicContact CE1-CD2 3.96Å; F323-L329 HydrophobicContact CE2-CB 4.01Å; F323-L329 HydrophobicContact CE2-CD1 3.96Å; F323-L329 HydrophobicContact CE2-CD2 4.35Å; F323-L329 HydrophobicContact CE2-CG 4.32Å; F323-L329 HydrophobicContact CG-CD1 4.49Å; F323-L329 HydrophobicContact CZ-CB 4.11Å; F323-L329 HydrophobicContact CZ-CD1 3.96Å; F323-L329 HydrophobicContact CZ-CD2 3.65Å; F323-L329 HydrophobicContact CZ-CG 4.11Å; L329-V331 HydrophobicContact CD2-CG2 4.33Å; L329-Q365 HydrophobicContact CD2-CB 3.92Å; L329-Q365 HydrophobicContact CD2-CG 4.49Å; L329-Q365 VanDerWaalsContact CD2-OE1 3.3Å; L329-V387 HydrophobicContact CD1-CG1 3.5Å; L329-V387 VanDerWaalsContact CD1-CG1 3.5Å; L329-V387 HydrophobicContact CG-CG1 4.25Å; L329-Y388 WeakPolarHBondContact CA-O 3.46Å; L329-H389 HydrophobicContact CD1-CB 4.23Å
330E93.9Very high86.7Confident97 Ų9752 Ų5245%0.45331%0.314SS..EExtended strand (participates in β ladder)trans-118137.5169.1-57.9-176.6178.200110.7K332 V387 Y388E330-K332 VanDerWaalsContact OE2-CE 3.22Å; E330-K332 WeakPolarHBondContact OE2-CE 3.45Å; E330-K332 IonicContact OE2-NZ 3.87Å; E330-K332 PolarHBondContact OE2-NZ 2.79Å; E330-V387 CarbonylContact O-C 3.59Å; E330-V387 WeakPolarHBondContact O-CA 3.4Å; E330-Y388 HydrophobicContact CB-CD2 4.46Å; E330-Y388 PolarHBondContact N-O 2.9Å; E330-Y388 PolarHBondContact O-N 2.81Å
331V94.8Very high84.7Confident30 Ų3055.7 Ų55.718%0.18235%0.353CS..EExtended strand (participates in β ladder)trans-116121174-174.80000108.8L329 L352 C385 V387L329-V331 HydrophobicContact CD2-CG2 4.33Å; V331-L352 HydrophobicContact CB-CD2 4.06Å; V331-L352 HydrophobicContact CG2-CD2 3.79Å; V331-C385 VanDerWaalsContact CG1-SG 3.52Å; V331-V387 HydrophobicContact CG2-CG2 4.42Å
332K93.9Very high83.1Confident94 Ų9458.1 Ų58.141%0.40937%0.37SS..EExtended strand (participates in β ladder)trans-118.7139.9176.7-63.2-172.7-174.6151.80109.9E330 R386 Y388E330-K332 VanDerWaalsContact OE2-CE 3.22Å; E330-K332 WeakPolarHBondContact OE2-CE 3.45Å; E330-K332 IonicContact OE2-NZ 3.87Å; E330-K332 PolarHBondContact OE2-NZ 2.79Å; K332-R386 PolarHBondContact N-O 2.85Å; K332-R386 PolarHBondContact O-N 2.91Å; K332-Y388 HydrophobicContact CB-CE2 4.24Å; K332-Y388 HydrophobicContact CD-CD2 4.28Å; K332-Y388 HydrophobicContact CD-CE2 3.68Å; K332-Y388 HydrophobicContact CG-CD2 4.38Å; K332-Y388 HydrophobicContact CG-CE2 4.02Å
333W93.4Very high82Confident16 Ų1658.9 Ų58.96%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-107127.1177.4-67.3100.5000110.2L299 L316 C318 V346 M350 L369 V384 C385L299-W333 HydrophobicContact CD1-CH2 3.43Å; L299-W333 VanDerWaalsContact CD1-CH2 3.43Å; L299-W333 HydrophobicContact CD1-CZ3 3.61Å; L316-W333 HydrophobicContact CB-CH2 3.88Å; L316-W333 HydrophobicContact CB-CZ3 4.19Å; L316-W333 HydrophobicContact CD1-CZ3 4.39Å; C318-W333 HydrophobicContact CB-CH2 3.57Å; C318-W333 HydrophobicContact CB-CZ2 3.56Å; C318-W333 HydrophobicContact CB-CZ3 4.47Å; W333-V346 HydrophobicContact CB-CB 4.02Å; W333-V346 HydrophobicContact CB-CG2 3.93Å; W333-M350 HydrophobicContact CB-SD 4.31Å; W333-M350 HydrophobicContact CG-SD 4.37Å; W333-L369 HydrophobicContact CB-CD2 4.27Å; W333-L369 HydrophobicContact CD2-CB 3.94Å; W333-L369 HydrophobicContact CD2-CD2 3.56Å; W333-L369 HydrophobicContact CD2-CG 4.32Å; W333-L369 HydrophobicContact CE3-CB 4.36Å; W333-L369 HydrophobicContact CE3-CD2 3.47Å; W333-L369 VanDerWaalsContact CE3-CD2 3.47Å; W333-L369 HydrophobicContact CG-CB 4.43Å; W333-L369 HydrophobicContact CG-CD2 3.94Å; W333-L369 HydrophobicContact CH2-CB 4.01Å; W333-L369 HydrophobicContact CH2-CD2 4.35Å; W333-L369 HydrophobicContact CZ2-CB 3.6Å; W333-L369 HydrophobicContact CZ2-CD2 4.47Å; W333-L369 HydrophobicContact CZ3-CB 4.38Å; W333-L369 HydrophobicContact CZ3-CD2 3.88Å; W333-V384 WeakPolarHBondContact CA-O 3.36Å; W333-C385 HydrophobicContact CD2-CB 4.39Å; W333-C385 HydrophobicContact CE3-CB 3.85Å; W333-C385 HydrophobicContact CH2-CB 3.97Å; W333-C385 HydrophobicContact CZ2-CB 4.44Å; W333-C385 HydrophobicContact CZ3-CB 3.63Å
334E92Very high81.3Confident28 Ų2864.8 Ų64.813%0.13140%0.404CS..EExtended strand (participates in β ladder)trans-122144-179-68.3167.6-163.800109.8R336 R344 V384 R386E334-R336 IonicContact OE2-NE 2.78Å; E334-R336 IonicContact OE2-NH2 3.56Å; E334-R344 CarbonylContact C-O 3.59Å; E334-R344 WeakPolarHBondContact CA-O 3.5Å; E334-V384 HydrophobicContact CB-CB 4.18Å; E334-V384 PolarHBondContact N-O 2.87Å; E334-V384 PolarHBondContact O-N 3.45Å; E334-R386 WeakPolarHBondContact OE1-CD 3.29Å; E334-R386 IonicContact OE1-CZ 3.35Å; E334-R386 IonicContact OE1-NE 3.71Å; E334-R386 PolarHBondContact OE1-NE 2.88Å; E334-R386 IonicContact OE1-NH2 3.43Å; E334-R386 IonicContact OE2-CZ 3.27Å; E334-R386 IonicContact OE2-NE 3.22Å; E334-R386 PolarHBondContact OE2-NE 2.88Å; E334-R386 IonicContact OE2-NH2 2.64Å; E334-R386 PolarHBondContact OE2-NH2 3.3Å
335L88.8Confident80.7Confident34 Ų3472.1 Ų72.118%0.17844%0.435CS..EExtended strand (participates in β ladder)trans-104.7128.9171-164.572.1000108.8S343 R344 V346 V381 Y383L335-S343 WeakPolarHBondContact O-CA 3.33Å; L335-R344 HydrophobicContact CB-CB 4.42Å; L335-R344 PolarHBondContact N-O 2.93Å; L335-R344 PolarHBondContact O-N 2.9Å; L335-V346 HydrophobicContact CB-CG2 4.05Å; L335-V381 HydrophobicContact CD1-CG1 3.27Å; L335-V381 HydrophobicContact CD2-CG1 3.98Å; L335-V381 HydrophobicContact CG-CG1 3.43Å; L335-V381 VanDerWaalsContact CG-CG1 3.43Å; L335-Y383 HydrophobicContact CD1-CD1 3.53Å; L335-Y383 HydrophobicContact CD1-CD2 4.34Å; L335-Y383 HydrophobicContact CD1-CE1 3.28Å; L335-Y383 HydrophobicContact CD1-CE2 4.13Å; L335-Y383 HydrophobicContact CD1-CG 4.07Å
336R85.9Confident80.2Confident109 Ų10970.5 Ų70.541%0.41143%0.425SS..EExtended strand (participates in β ladder)trans-126.6135.9176.8-66.3-173.9-176.2-171.9-14.8110.4E334 V381 H382 V384E334-R336 IonicContact OE2-NE 2.78Å; E334-R336 IonicContact OE2-NH2 3.56Å; R336-V381 WeakPolarHBondContact O-CG1 3.28Å; R336-H382 HydrophobicContact CB-CB 4.23Å; R336-H382 PolarHBondContact N-O 2.83Å; R336-H382 WeakPolarHBondContact O-CA 3.5Å; R336-H382 WeakPolarHBondContact O-CB 3.4Å; R336-H382 PolarHBondContact O-N 2.81Å; R336-V384 HydrophobicContact CB-CG2 4.35Å; R336-V384 HydrophobicContact CG-CG2 3.91Å
337G73.3Confident79.7Confident39 Ų3976.5 Ų76.540%0.40245%0.447SS..  trans96.1123.3-174.300000111.2V381G337-V381 VanDerWaalsContact O-CG1 3.26Å; G337-V381 WeakPolarHBondContact O-CG1 3.23Å; G337-V381 WeakPolarHBondContact O-CG2 3.29Å
338G63Low79.4Confident43 Ų4370.1 Ų70.144%0.44343%0.427SS..SBendtrans147.4164-170.800000110.7G340 G341G338-G340 PolarHBondContact O-N 2.97Å; G338-G341 PolarHBondContact O-N 2.84Å
339P47.6Very low79.5Confident119 Ų11974.3 Ų74.377%0.77343%0.429SS*.THydrogen-bonded Turntrans-64.5101.5-178.625.3-31.3000109.2R344P339-R344 PolarHBondContact O-NH2 2.79Å
340G52.7Low79.5Confident60 Ų6077.7 Ų77.762%0.61945%0.446SS*.THydrogen-bonded Turntrans137.1-7.717800000117G338 S342G338-G340 PolarHBondContact O-N 2.97Å; G340-S342 PolarHBondContact O-N 2.76Å
341G57Low79.5Confident79 Ų7978 Ų7881%0.81444%0.443SS*.  trans62.8-8.216900000117.8G338G338-G341 PolarHBondContact O-N 2.84Å
342S62.2Low79.5Confident71 Ų7181 Ų8150%0.49746%0.457SS..SBendtrans-89.6145.9179.758.70000112.2G340 R344G340-S342 PolarHBondContact O-N 2.76Å; S342-R344 PolarHBondContact O-N 2.79Å
343S72.4Confident79.5Confident74 Ų7477.5 Ų77.552%0.51745%0.445SS..  trans-64.8123.6171.256.20000109.8L335L335-S343 WeakPolarHBondContact O-CA 3.33Å
344R81.5Confident79.5Confident125 Ų12582.5 Ų82.547%0.47248%0.477SS..EExtended strand (participates in β ladder)trans-107.6155177.3-64.2-178.4-177.1170.33.8110.7E334 L335 P339 S342E334-R344 CarbonylContact C-O 3.59Å; E334-R344 WeakPolarHBondContact CA-O 3.5Å; L335-R344 HydrophobicContact CB-CB 4.42Å; L335-R344 PolarHBondContact N-O 2.93Å; L335-R344 PolarHBondContact O-N 2.9Å; P339-R344 PolarHBondContact O-NH2 2.79Å; S342-R344 PolarHBondContact O-N 2.79Å
345K81.4Confident79.7Confident178 Ų17884.5 Ų84.577%0.77449%0.488SS*.EExtended strand (participates in β ladder)trans-69135.7171.5-169.2176.1-179.2-178.20108.9
346V84.6Confident80Confident8 Ų888.2 Ų88.25%0.04850%0.499CS..PPolyproline II helixtrans-75.2138.4178.7179.90000110.4W333 L335 L369 L371 Y383W333-V346 HydrophobicContact CB-CB 4.02Å; W333-V346 HydrophobicContact CB-CG2 3.93Å; L335-V346 HydrophobicContact CB-CG2 4.05Å; V346-L369 HydrophobicContact CG1-CD1 3.97Å; V346-L369 HydrophobicContact CG1-CD2 3.84Å; V346-L371 HydrophobicContact CG1-CD2 3.89Å; V346-Y383 HydrophobicContact CG1-CD1 4.02Å; V346-Y383 HydrophobicContact CG1-CE1 3.83Å; V346-Y383 HydrophobicContact CG2-CD1 4.04Å; V346-Y383 HydrophobicContact CG2-CE1 4.41Å
347E82.9Confident80.4Confident157 Ų15790 Ų9073%0.73451%0.512SS*.PPolyproline II helixtrans-88.1138169.1-65.1178.7-174.400109.9P372E347-P372 VanDerWaalsContact O-CD 3.32Å; E347-P372 WeakPolarHBondContact O-CD 3.3Å
348G84.7Confident81.5Confident35 Ų3591 Ų9136%0.36151%0.506SS..SBendtrans148.7174.9-178.400000112.9Q370G348-Q370 VanDerWaalsContact CA-O 3.26Å; G348-Q370 WeakPolarHBondContact CA-O 3.4Å
349K90.1Very high82.8Confident145 Ų14595.5 Ų95.563%0.6353%0.531SS*.EExtended strand (participates in β ladder)trans-86129.6172.2-65.5177.8-177.1175.50108.6W351 L369 Q370K349-W351 HydrophobicContact CB-CE3 4.2Å; K349-W351 HydrophobicContact CB-CZ3 3.78Å; K349-L369 WeakPolarHBondContact O-CA 3.48Å; K349-Q370 HydrophobicContact CB-CB 4.29Å; K349-Q370 PolarHBondContact N-O 2.84Å; K349-Q370 PolarHBondContact O-N 3.4Å
350M93.7Very high84.9Confident91 Ų9192.3 Ų92.345%0.44851%0.507SS..EExtended strand (participates in β ladder)trans-125.4133.8-178.6-66.8167.1-77.600109.8W333 H368 L369W333-M350 HydrophobicContact CB-SD 4.31Å; W333-M350 HydrophobicContact CG-SD 4.37Å; M350-H368 WeakPolarHBondContact CA-O 3.03Å; M350-L369 HydrophobicContact CG-CD1 3.7Å
351W93.6Very high86.7Confident104 Ų10490.7 Ų90.739%0.39449%0.491SS..EExtended strand (participates in β ladder)trans-147.5162.6173.560.893.5000111E315 K349 H368 Q370E315-W351 WeakPolarHBondContact OE1-CZ2 3.35Å; K349-W351 HydrophobicContact CB-CE3 4.2Å; K349-W351 HydrophobicContact CB-CZ3 3.78Å; W351-H368 AromaticContact CD1-CD2 3.96Å; W351-H368 AromaticContact CD1-CG 3.88Å; W351-H368 HydrophobicContact CD2-CB 3.75Å; W351-H368 AromaticContact CE2-CG 3.86Å; W351-H368 HydrophobicContact CE3-CB 4.49Å; W351-H368 HydrophobicContact CG-CB 4Å; W351-H368 HydrophobicContact CH2-CB 4.44Å; W351-H368 HydrophobicContact CZ2-CB 3.69Å; W351-H368 PolarHBondContact N-O 3.07Å; W351-H368 VanDerWaalsContact N-O 3.15Å; W351-H368 AromaticContact NE1-CD2 3.77Å; W351-H368 AromaticContact NE1-CG 3.33Å; W351-H368 VanDerWaalsContact NE1-CG 3.33Å; W351-H368 AromaticContact NE1-ND1 3.84Å; W351-H368 PolarHBondContact O-N 2.91Å; W351-Q370 HydrophobicContact CH2-CB 3.78Å; W351-Q370 HydrophobicContact CZ3-CB 3.81Å
352L94.6Very high88.5Confident91 Ų9187 Ų8748%0.47645%0.452SS..EExtended strand (participates in β ladder)trans-107.7142.2175.6-68.3171.9000109.3V331V331-L352 HydrophobicContact CB-CD2 4.06Å; V331-L352 HydrophobicContact CG2-CD2 3.79Å
353S94.1Very high90.1Very high22 Ų2283.7 Ų83.715%0.15443%0.43CS..PPolyproline II helixtrans-70.7165.9169.679.40000110.9Q365 S366S353-Q365 WeakPolarHBondContact O-CG 3.33Å; S353-Q365 PolarHBondContact O-NE2 2.82Å; S353-S366 VanDerWaalsContact CB-OG 3.26Å; S353-S366 WeakPolarHBondContact CB-OG 3.04Å; S353-S366 PolarHBondContact N-O 2.98Å; S353-S366 PolarHBondContact OG-N 2.89Å; S353-S366 PolarHBondContact OG-O 3.01Å; S353-S366 PolarHBondContact OG-OG 3.31Å; S353-S366 VanDerWaalsContact OG-OG 3.08Å
354T94Very high91.2Very high121 Ų12180.3 Ų80.374%0.74241%0.406SS*.PPolyproline II helixtrans-63.4158.3162.654.20000111
355I95.1Very high92Very high70 Ų7075.6 Ų75.636%0.35939%0.389SS..PPolyproline II helixtrans-75.6131179.5-62.8173.3000109.3A326 V363A326-I355 HydrophobicContact CB-CD1 4.42Å; I355-V363 HydrophobicContact CG2-CB 3.67Å; I355-V363 HydrophobicContact CG2-CG1 3.75Å; I355-V363 HydrophobicContact CG2-CG2 4.39Å
356R95.7Very high92.6Very high111 Ų11167.2 Ų67.242%0.41935%0.353SS..EExtended strand (participates in β ladder)trans-100.9123.2172.4-66.6-170.2-70.2-86.22.4109.8V363 S364R356-V363 CarbonylContact O-C 3.49Å; R356-V363 VanDerWaalsContact O-CA 3.25Å; R356-V363 WeakPolarHBondContact O-CA 3.44Å; R356-S364 PolarHBondContact N-O 2.76Å; R356-S364 PolarHBondContact O-N 2.03Å
357H94.8Very high93.2Very high146 Ų14667 Ų6768%0.67635%0.352SS*.EExtended strand (participates in β ladder)trans-90.7139.5177.3-66.2-89000111.1
358H94.9Very high93.8Very high61 Ų6160.8 Ų60.828%0.28232%0.323SS..  trans-106.8160.4175.9-65-82.2000111.2H322 D360 G361 S362 S364H322-H358 AromaticContact CE1-CD2 3.82Å; H322-H358 AromaticContact CE1-CE1 3.41Å; H322-H358 PolarHBondContact CE1-CE1 3.12Å; H322-H358 VanDerWaalsContact CE1-CE1 3.41Å; H322-H358 AromaticContact CE1-CG 3.6Å; H322-H358 AromaticContact CE1-ND1 3.35Å; H322-H358 PolarHBondContact CE1-ND1 2.7Å; H322-H358 VanDerWaalsContact CE1-ND1 3.35Å; H322-H358 AromaticContact CE1-NE2 3.7Å; H322-H358 AromaticContact ND1-CD2 3.68Å; H322-H358 AromaticContact ND1-CG 3.75Å; H322-H358 AromaticContact ND1-ND1 3.96Å; H322-H358 AromaticContact ND1-NE2 3.84Å; H322-H358 AromaticContact NE2-CE1 3.85Å; H358-D360 WeakPolarHBondContact CB-OD1 3.41Å; H358-D360 PolarHBondContact O-N 3.45Å; H358-G361 PolarHBondContact O-N 2.87Å; H358-S362 WeakPolarHBondContact CB-O 3.22Å; H358-S362 PolarHBondContact CD2-O 2.78Å; H358-S362 PolarHBondContact N-O 2.83Å; H358-S364 PolarHBondContact NE2-OG 2.98Å
359S91.8Very high94.3Very high138 Ų13859.1 Ų59.197%0.96531%0.306SS*.THydrogen-bonded Turntrans-66.9-23.2178.455.30000113.7G361S359-G361 PolarHBondContact O-N 2.91Å
360D90.2Very high94.5Very high51 Ų5156.5 Ų56.527%0.27330%0.296SS..THydrogen-bonded Turntrans-76.2-2.3172.172.9-14.9000112.8L175 K293 H322 H358 S362L175-D360 HydrophobicContact CD2-CB 4.31Å; K293-D360 IonicContact NZ-OD2 2.7Å; K293-D360 PolarHBondContact NZ-OD2 2.83Å; H322-D360 IonicContact ND1-OD2 3.71Å; H358-D360 WeakPolarHBondContact CB-OD1 3.41Å; H358-D360 PolarHBondContact O-N 3.45Å; D360-S362 VanDerWaalsContact C-N 3.26Å; D360-S362 PolarHBondContact O-N 2.85Å; D360-S362 VanDerWaalsContact OD1-CB 3.27Å; D360-S362 WeakPolarHBondContact OD1-CB 3.45Å; D360-S362 PolarHBondContact OD1-N 2.88Å; D360-S362 PolarHBondContact OD1-OG 2.94Å; D360-S362 PolarHBondContact OD2-OG 2.91Å; D360-S362 VanDerWaalsContact OD2-OG 3.08Å
361G90.7Very high94.3Very high27 Ų2752.5 Ų52.528%0.27828%0.276SS..SBendtrans82.6-5.8-176.700000114.2H358 S359H358-G361 PolarHBondContact O-N 2.87Å; S359-G361 PolarHBondContact O-N 2.91Å
362S94.8Very high94Very high0 Ų049.9 Ų49.90%027%0.273CS..  trans-71.6163.6172.2710000111.2H322 H358 D360H322-S362 PolarHBondContact ND1-OG 2.76Å; H358-S362 WeakPolarHBondContact CB-O 3.22Å; H358-S362 PolarHBondContact CD2-O 2.78Å; H358-S362 PolarHBondContact N-O 2.83Å; D360-S362 VanDerWaalsContact C-N 3.26Å; D360-S362 PolarHBondContact O-N 2.85Å; D360-S362 VanDerWaalsContact OD1-CB 3.27Å; D360-S362 WeakPolarHBondContact OD1-CB 3.45Å; D360-S362 PolarHBondContact OD1-N 2.88Å; D360-S362 PolarHBondContact OD1-OG 2.94Å; D360-S362 PolarHBondContact OD2-OG 2.91Å; D360-S362 VanDerWaalsContact OD2-OG 3.08Å
363V96.1Very high93.7Very high3 Ų349.3 Ų49.32%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-121.4164.4178.1-64.20000111.8H322 F323 A326 I355 R356H322-V363 WeakPolarHBondContact CA-O 3.37Å; H322-V363 PolarHBondContact N-O 2.88Å; F323-V363 HydrophobicContact CD1-CG2 4.31Å; F323-V363 WeakPolarHBondContact CD1-O 3.37Å; F323-V363 HydrophobicContact CD2-CG2 3.89Å; F323-V363 HydrophobicContact CE1-CG2 4.01Å; F323-V363 HydrophobicContact CE2-CG2 3.55Å; F323-V363 HydrophobicContact CG-CG2 4.24Å; F323-V363 HydrophobicContact CZ-CG2 3.6Å; F323-V363 PolarHBondContact N-O 2.89Å; F323-V363 WeakPolarHBondContact O-CG2 3.4Å; F323-V363 PolarHBondContact O-N 2.88Å; A326-V363 HydrophobicContact CB-CG1 4.21Å; A326-V363 HydrophobicContact CB-CG2 3.78Å; I355-V363 HydrophobicContact CG2-CB 3.67Å; I355-V363 HydrophobicContact CG2-CG1 3.75Å; I355-V363 HydrophobicContact CG2-CG2 4.39Å; R356-V363 CarbonylContact O-C 3.49Å; R356-V363 VanDerWaalsContact O-CA 3.25Å; R356-V363 WeakPolarHBondContact O-CA 3.44Å
364S96.8Very high93.4Very high3 Ų348.4 Ų48.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-142.7145.7173-61.80000111A320 S321 H322 R356 H358A320-S364 VanDerWaalsContact O-CA 3.28Å; A320-S364 WeakPolarHBondContact O-CA 3.38Å; A320-S364 WeakPolarHBondContact O-CB 3.27Å; S321-S364 WeakPolarHBondContact CA-OG 3.06Å; H322-S364 PolarHBondContact N-OG 2.71Å; R356-S364 PolarHBondContact N-O 2.76Å; R356-S364 PolarHBondContact O-N 2.03Å; H358-S364 PolarHBondContact NE2-OG 2.98Å
365Q96.4Very high92.9Very high25 Ų2546.1 Ų46.112%0.11725%0.254CS..EExtended strand (participates in β ladder)trans-143144179.9-166.3171.334.100108.9A320 F323 L329 S353A320-Q365 PolarHBondContact N-O 3.19Å; A320-Q365 PolarHBondContact O-N 2.91Å; F323-Q365 HydrophobicContact CE1-CB 4.26Å; F323-Q365 HydrophobicContact CZ-CB 4.34Å; L329-Q365 HydrophobicContact CD2-CB 3.92Å; L329-Q365 HydrophobicContact CD2-CG 4.49Å; L329-Q365 VanDerWaalsContact CD2-OE1 3.3Å; S353-Q365 WeakPolarHBondContact O-CG 3.33Å; S353-Q365 PolarHBondContact O-NE2 2.82Å
366S95.8Very high92.1Very high3 Ų344.8 Ų44.82%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-112.2133.7174.943.80000111.1C318 S353 H368C318-S366 CarbonylContact O-C 3.59Å; C318-S366 VanDerWaalsContact O-CA 3.25Å; C318-S366 WeakPolarHBondContact O-CA 3.36Å; S353-S366 VanDerWaalsContact CB-OG 3.26Å; S353-S366 WeakPolarHBondContact CB-OG 3.04Å; S353-S366 PolarHBondContact N-O 2.98Å; S353-S366 PolarHBondContact OG-N 2.89Å; S353-S366 PolarHBondContact OG-O 3.01Å; S353-S366 PolarHBondContact OG-OG 3.31Å; S353-S366 VanDerWaalsContact OG-OG 3.08Å; S366-H368 PolarHBondContact O-CD2 2.81Å; S366-H368 PolarHBondContact OG-NE2 3.18Å
367G95.7Very high91.2Very high2 Ų248.6 Ų48.62%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-92.9132.8165.200000109.7C318C318-G367 PolarHBondContact N-O 3.31Å; C318-G367 PolarHBondContact O-N 2.96Å
368H95.9Very high90.5Very high27 Ų2744 Ų4413%0.12525%0.252CS..EExtended strand (participates in β ladder)trans-111.7136.7-177.1-66.1-103.8000108.8E315 M350 W351 S366E315-H368 WeakPolarHBondContact OE1-CB 3.29Å; E315-H368 IonicContact OE1-CE1 3.56Å; E315-H368 IonicContact OE1-CG 2.79Å; E315-H368 IonicContact OE1-ND1 3.61Å; E315-H368 PolarHBondContact OE1-ND1 2.83Å; M350-H368 WeakPolarHBondContact CA-O 3.03Å; W351-H368 AromaticContact CD1-CD2 3.96Å; W351-H368 AromaticContact CD1-CG 3.88Å; W351-H368 HydrophobicContact CD2-CB 3.75Å; W351-H368 AromaticContact CE2-CG 3.86Å; W351-H368 HydrophobicContact CE3-CB 4.49Å; W351-H368 HydrophobicContact CG-CB 4Å; W351-H368 HydrophobicContact CH2-CB 4.44Å; W351-H368 HydrophobicContact CZ2-CB 3.69Å; W351-H368 PolarHBondContact N-O 3.07Å; W351-H368 VanDerWaalsContact N-O 3.15Å; W351-H368 AromaticContact NE1-CD2 3.77Å; W351-H368 AromaticContact NE1-CG 3.33Å; W351-H368 VanDerWaalsContact NE1-CG 3.33Å; W351-H368 AromaticContact NE1-ND1 3.84Å; W351-H368 PolarHBondContact O-N 2.91Å; S366-H368 PolarHBondContact O-CD2 2.81Å; S366-H368 PolarHBondContact OG-NE2 3.18Å
369L94.9Very high89.9Confident0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-133114.1177.5168.965.4000109.3L316 W333 V346 K349 M350 L371 Y383L316-L369 HydrophobicContact CB-CB 4.26Å; L316-L369 HydrophobicContact CD1-CD2 4.09Å; L316-L369 PolarHBondContact N-O 3.08Å; L316-L369 PolarHBondContact O-N 3.16Å; W333-L369 HydrophobicContact CB-CD2 4.27Å; W333-L369 HydrophobicContact CD2-CB 3.94Å; W333-L369 HydrophobicContact CD2-CD2 3.56Å; W333-L369 HydrophobicContact CD2-CG 4.32Å; W333-L369 HydrophobicContact CE3-CB 4.36Å; W333-L369 HydrophobicContact CE3-CD2 3.47Å; W333-L369 VanDerWaalsContact CE3-CD2 3.47Å; W333-L369 HydrophobicContact CG-CB 4.43Å; W333-L369 HydrophobicContact CG-CD2 3.94Å; W333-L369 HydrophobicContact CH2-CB 4.01Å; W333-L369 HydrophobicContact CH2-CD2 4.35Å; W333-L369 HydrophobicContact CZ2-CB 3.6Å; W333-L369 HydrophobicContact CZ2-CD2 4.47Å; W333-L369 HydrophobicContact CZ3-CB 4.38Å; W333-L369 HydrophobicContact CZ3-CD2 3.88Å; V346-L369 HydrophobicContact CG1-CD1 3.97Å; V346-L369 HydrophobicContact CG1-CD2 3.84Å; K349-L369 WeakPolarHBondContact O-CA 3.48Å; M350-L369 HydrophobicContact CG-CD1 3.7Å; L369-L371 HydrophobicContact CD1-CD2 4.25Å; L369-L371 HydrophobicContact CD2-CD2 3.96Å; L369-L371 HydrophobicContact CG-CD2 4.04Å; L369-L371 HydrophobicContact CG-CG 4.34Å; L369-Y383 HydrophobicContact CD2-CD1 4.44Å
370Q94Very high89.6Confident91 Ų9138.8 Ų38.843%0.42522%0.22SC..EExtended strand (participates in β ladder)trans-99114.8171.9-172.4177.519.100109.4G348 K349 W351G348-Q370 VanDerWaalsContact CA-O 3.26Å; G348-Q370 WeakPolarHBondContact CA-O 3.4Å; K349-Q370 HydrophobicContact CB-CB 4.29Å; K349-Q370 PolarHBondContact N-O 2.84Å; K349-Q370 PolarHBondContact O-N 3.4Å; W351-Q370 HydrophobicContact CH2-CB 3.78Å; W351-Q370 HydrophobicContact CZ3-CB 3.81Å
371L90.2Very high89.5Confident6 Ų636.7 Ų36.73%0.03121%0.209CC..PPolyproline II helixtrans-81.5145.7-177.1-68.3173.3000111.7P313 L316 V346 L369 Y383P313-L371 HydrophobicContact CB-CD1 4.07Å; P313-L371 HydrophobicContact CG-CB 4.24Å; P313-L371 HydrophobicContact CG-CD1 3.98Å; L316-L371 HydrophobicContact CD1-CD1 3.93Å; L316-L371 HydrophobicContact CG-CD1 4.25Å; V346-L371 HydrophobicContact CG1-CD2 3.89Å; L369-L371 HydrophobicContact CD1-CD2 4.25Å; L369-L371 HydrophobicContact CD2-CD2 3.96Å; L369-L371 HydrophobicContact CG-CD2 4.04Å; L369-L371 HydrophobicContact CG-CG 4.34Å; L371-Y383 HydrophobicContact CD1-CD1 4.41Å; L371-Y383 HydrophobicContact CD1-CD2 4.29Å; L371-Y383 HydrophobicContact CD1-CE1 3.99Å; L371-Y383 HydrophobicContact CD1-CE2 3.86Å; L371-Y383 HydrophobicContact CD2-CD1 3.96Å; L371-Y383 HydrophobicContact CD2-CE1 3.31Å; L371-Y383 HydrophobicContact CG-CE1 4.31Å
372P88.4Confident89.5Confident50 Ų5038.5 Ų38.533%0.32521%0.21SC..PPolyproline II helixtrans-70.4167.9168.231.6-34.5000111.3E347 V374E347-P372 VanDerWaalsContact O-CD 3.32Å; E347-P372 WeakPolarHBondContact O-CD 3.3Å; P372-V374 PolarHBondContact O-N 2.82Å
373P88.4Confident89.3Confident79 Ų7939 Ų3951%0.51321%0.212SC..PPolyproline II helixtrans-53130.9173.9-28.336.8000113E311E311-P373 WeakPolarHBondContact O-CA 3.04Å
374V86.3Confident89.1Confident2 Ų239 Ų391%0.01221%0.212CC..PPolyproline II helixtrans-86.9150.6-172.8-67.50000112.8A307 G310 E311 P313 P372 Q378 L403 V405A307-V374 HydrophobicContact CB-CG2 3.61Å; G310-V374 PolarHBondContact N-O 2.97Å; E311-V374 WeakPolarHBondContact O-CG2 3.49Å; E311-V374 PolarHBondContact O-N 3.49Å; P313-V374 HydrophobicContact CG-CG1 3.43Å; P313-V374 VanDerWaalsContact CG-CG1 3.43Å; P313-V374 HydrophobicContact CG-CG2 4.37Å; P372-V374 PolarHBondContact O-N 2.82Å; V374-Q378 VanDerWaalsContact CA-OE1 3.29Å; V374-L403 HydrophobicContact CB-CD2 4.21Å; V374-L403 HydrophobicContact CG1-CD1 4.43Å; V374-L403 HydrophobicContact CG1-CD2 3.57Å; V374-V405 HydrophobicContact CG2-CG2 4.24Å
375T83.2Confident89Confident74 Ų7438.8 Ų38.845%0.45421%0.211SC..  trans-107.3157.9173.863.30000110.8K377 Q378T375-K377 PolarHBondContact O-N 3.43Å; T375-Q378 WeakPolarHBondContact O-CB 3.31Å; T375-Q378 PolarHBondContact O-N 2.83Å
376A78.4Confident89Confident42 Ų4238.9 Ų38.935%0.34721%0.21SC..G310 helixtrans-56.8-22.2178.200000114.1Q378 H379 F408A376-Q378 PolarHBondContact O-N 3.12Å; A376-H379 PolarHBondContact O-N 2.79Å; A376-F408 HydrophobicContact CB-CD2 4.22Å; A376-F408 HydrophobicContact CB-CE2 4.2Å
377K78.1Confident89Confident190 Ų19038.8 Ų38.883%0.82621%0.209SC*.G310 helixtrans-71.9-11.8177.1-63.2-178.1-179.3178.30113.9T375T375-K377 PolarHBondContact O-N 3.43Å
378Q78.7Confident89Confident49 Ų4941.5 Ų41.523%0.22922%0.22CC..G310 helixtrans-99.67.7-178.1-66.4168.7-36.700112.9V374 T375 A376 V381 L403V374-Q378 VanDerWaalsContact CA-OE1 3.29Å; T375-Q378 WeakPolarHBondContact O-CB 3.31Å; T375-Q378 PolarHBondContact O-N 2.83Å; A376-Q378 PolarHBondContact O-N 3.12Å; Q378-V381 HydrophobicContact CB-CG2 4.36Å; Q378-V381 WeakPolarHBondContact O-CB 3.22Å; Q378-V381 VanDerWaalsContact O-CG2 3.22Å; Q378-V381 WeakPolarHBondContact O-CG2 3.36Å; Q378-V381 PolarHBondContact O-N 2.87Å; Q378-L403 HydrophobicContact CB-CD2 4Å
379H83.7Confident89Confident60 Ų6040.9 Ų40.928%0.27822%0.217SC..THydrogen-bonded Turntrans-64133.8171.9178.287000111A376 V381 E404 V405A376-H379 PolarHBondContact O-N 2.79Å; H379-V381 VanDerWaalsContact C-N 3.3Å; H379-V381 PolarHBondContact O-N 3.27Å; H379-E404 IonicContact CE1-OE2 2.75Å; H379-E404 PolarHBondContact CE1-OE2 3.47Å; H379-E404 IonicContact ND1-OE2 3.44Å; H379-E404 PolarHBondContact ND1-OE2 3.33Å; H379-E404 IonicContact NE2-OE2 3.9Å; H379-V405 HydrophobicContact CB-CB 4.11Å; H379-V405 HydrophobicContact CB-CG2 4.09Å; H379-V405 PolarHBondContact ND1-N 2.81Å
380G84.3Confident88.9Confident30 Ų3044.1 Ų44.131%0.30924%0.239SC..THydrogen-bonded Turntrans7612.3-179.400000114.6L403G380-L403 PolarHBondContact N-O 2.86Å
381V88.2Confident88.9Confident7 Ų741 Ų414%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-86.3141179.1-176.50000110.5L335 R336 G337 Q378 H379 L403L335-V381 HydrophobicContact CD1-CG1 3.27Å; L335-V381 HydrophobicContact CD2-CG1 3.98Å; L335-V381 HydrophobicContact CG-CG1 3.43Å; L335-V381 VanDerWaalsContact CG-CG1 3.43Å; R336-V381 WeakPolarHBondContact O-CG1 3.28Å; G337-V381 VanDerWaalsContact O-CG1 3.26Å; G337-V381 WeakPolarHBondContact O-CG1 3.23Å; G337-V381 WeakPolarHBondContact O-CG2 3.29Å; Q378-V381 HydrophobicContact CB-CG2 4.36Å; Q378-V381 WeakPolarHBondContact O-CB 3.22Å; Q378-V381 VanDerWaalsContact O-CG2 3.22Å; Q378-V381 WeakPolarHBondContact O-CG2 3.36Å; Q378-V381 PolarHBondContact O-N 2.87Å; H379-V381 VanDerWaalsContact C-N 3.3Å; H379-V381 PolarHBondContact O-N 3.27Å; V381-L403 PolarHBondContact O-N 2.79Å
382H90.5Very high89.1Confident66 Ų6641.7 Ų41.731%0.30623%0.231SC..EExtended strand (participates in β ladder)trans-98.2122.6178.7-60.3-105000111.1R336 D400 V401 T402R336-H382 HydrophobicContact CB-CB 4.23Å; R336-H382 PolarHBondContact N-O 2.83Å; R336-H382 WeakPolarHBondContact O-CA 3.5Å; R336-H382 WeakPolarHBondContact O-CB 3.4Å; R336-H382 PolarHBondContact O-N 2.81Å; H382-D400 IonicContact ND1-OD2 3.91Å; H382-D400 PolarHBondContact ND1-OD2 2.92Å; H382-V401 CarbonylContact C-O 3.52Å; H382-V401 WeakPolarHBondContact CA-O 3.31Å; H382-T402 PolarHBondContact CE1-OG1 2.8Å; H382-T402 VanDerWaalsContact CE1-OG1 3.26Å; H382-T402 PolarHBondContact ND1-OG1 2.86Å
383Y91.3Very high89.3Confident9 Ų943.5 Ų43.54%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-89.3126.4166.2-69.5-85.9000109L316 L335 V346 L369 L371 D400 V401 L403L316-Y383 HydrophobicContact CD1-CD1 4.48Å; L316-Y383 HydrophobicContact CD1-CD2 4.38Å; L316-Y383 HydrophobicContact CD1-CG 3.98Å; L335-Y383 HydrophobicContact CD1-CD1 3.53Å; L335-Y383 HydrophobicContact CD1-CD2 4.34Å; L335-Y383 HydrophobicContact CD1-CE1 3.28Å; L335-Y383 HydrophobicContact CD1-CE2 4.13Å; L335-Y383 HydrophobicContact CD1-CG 4.07Å; V346-Y383 HydrophobicContact CG1-CD1 4.02Å; V346-Y383 HydrophobicContact CG1-CE1 3.83Å; V346-Y383 HydrophobicContact CG2-CD1 4.04Å; V346-Y383 HydrophobicContact CG2-CE1 4.41Å; L369-Y383 HydrophobicContact CD2-CD1 4.44Å; L371-Y383 HydrophobicContact CD1-CD1 4.41Å; L371-Y383 HydrophobicContact CD1-CD2 4.29Å; L371-Y383 HydrophobicContact CD1-CE1 3.99Å; L371-Y383 HydrophobicContact CD1-CE2 3.86Å; L371-Y383 HydrophobicContact CD2-CD1 3.96Å; L371-Y383 HydrophobicContact CD2-CE1 3.31Å; L371-Y383 HydrophobicContact CG-CE1 4.31Å; Y383-D400 CarbonylContact O-C 3.56Å; Y383-D400 WeakPolarHBondContact O-CA 3.44Å; Y383-V401 PolarHBondContact N-O 3.31Å; Y383-V401 PolarHBondContact O-N 3.3Å; Y383-L403 HydrophobicContact CD2-CB 4.16Å; Y383-L403 HydrophobicContact CE2-CB 3.77Å; Y383-L403 HydrophobicContact CE2-CD2 3.8Å; Y383-L403 HydrophobicContact CE2-CG 4.3Å
384V92.9Very high89.4Confident3 Ų344.6 Ų44.62%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-118.6120.4-176.2-173.40000109.2W333 E334 R336 A399 D400W333-V384 WeakPolarHBondContact CA-O 3.36Å; E334-V384 HydrophobicContact CB-CB 4.18Å; E334-V384 PolarHBondContact N-O 2.87Å; E334-V384 PolarHBondContact O-N 3.45Å; R336-V384 HydrophobicContact CB-CG2 4.35Å; R336-V384 HydrophobicContact CG-CG2 3.91Å; V384-A399 CarbonylContact C-O 3.56Å; V384-A399 WeakPolarHBondContact CA-O 3.23Å; V384-D400 HydrophobicContact CB-CB 4.37Å; V384-D400 HydrophobicContact CG1-CB 4.45Å; V384-D400 HydrophobicContact CG2-CB 3.8Å
385C94.7Very high89.5Confident0 Ų048.2 Ų48.20%028%0.284CS..EExtended strand (participates in β ladder)trans-87.3122.1164.2176.70000109.2L299 C318 V331 W333 S398 A399L299-C385 HydrophobicContact CD1-CB 4.25Å; C318-C385 HydrophobicContact CB-CB 3.55Å; C318-C385 WeakPolarHBondContact CB-SG 3.35Å; C318-C385 WeakPolarHBondContact SG-CB 3.28Å; C318-C385 CovalentContact SG-SG 2.01Å; C318-C385 PolarHBondContact SG-SG 3.03Å; V331-C385 VanDerWaalsContact CG1-SG 3.52Å; W333-C385 HydrophobicContact CD2-CB 4.39Å; W333-C385 HydrophobicContact CE3-CB 3.85Å; W333-C385 HydrophobicContact CH2-CB 3.97Å; W333-C385 HydrophobicContact CZ2-CB 4.44Å; W333-C385 HydrophobicContact CZ3-CB 3.63Å; C385-S398 CarbonylContact O-C 3.51Å; C385-S398 WeakPolarHBondContact O-CA 3.16Å; C385-S398 WeakPolarHBondContact O-CB 3.28Å; C385-A399 PolarHBondContact N-O 2.82Å; C385-A399 PolarHBondContact O-N 2.82Å
386R94.9Very high89.9Confident27 Ų2745.1 Ų45.110%0.10227%0.267CS..EExtended strand (participates in β ladder)trans-112.7123.3173.5-171.5-177.2-64.4-67-19110.4K332 E334 Y388 S395K332-R386 PolarHBondContact N-O 2.85Å; K332-R386 PolarHBondContact O-N 2.91Å; E334-R386 WeakPolarHBondContact OE1-CD 3.29Å; E334-R386 IonicContact OE1-CZ 3.35Å; E334-R386 IonicContact OE1-NE 3.71Å; E334-R386 PolarHBondContact OE1-NE 2.88Å; E334-R386 IonicContact OE1-NH2 3.43Å; E334-R386 IonicContact OE2-CZ 3.27Å; E334-R386 IonicContact OE2-NE 3.22Å; E334-R386 PolarHBondContact OE2-NE 2.88Å; E334-R386 IonicContact OE2-NH2 2.64Å; E334-R386 PolarHBondContact OE2-NH2 3.3Å; R386-Y388 HydrophobicContact CB-CE2 4.31Å; R386-Y388 WeakPolarHBondContact CD-OH 3.3Å; R386-Y388 HydrophobicContact CG-CD2 4.36Å; R386-Y388 HydrophobicContact CG-CE2 3.7Å; R386-S395 PolarHBondContact NH1-O 3.01Å
387V96.6Very high90.7Very high0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-106.2130.5179.4-1790000109.7P295 V297 A320 L329 E330 V331 L392 G396 R397P295-V387 HydrophobicContact CG-CG1 4.25Å; V297-V387 HydrophobicContact CB-CG2 4.41Å; V297-V387 HydrophobicContact CG1-CG2 3.78Å; V297-V387 HydrophobicContact CG2-CB 3.75Å; V297-V387 HydrophobicContact CG2-CG1 4.33Å; V297-V387 HydrophobicContact CG2-CG2 3.67Å; A320-V387 HydrophobicContact CB-CG1 4.33Å; L329-V387 HydrophobicContact CD1-CG1 3.5Å; L329-V387 VanDerWaalsContact CD1-CG1 3.5Å; L329-V387 HydrophobicContact CG-CG1 4.25Å; E330-V387 CarbonylContact O-C 3.59Å; E330-V387 WeakPolarHBondContact O-CA 3.4Å; V331-V387 HydrophobicContact CG2-CG2 4.42Å; V387-L392 WeakPolarHBondContact O-CD1 3.32Å; V387-G396 CarbonylContact O-C 3.54Å; V387-G396 WeakPolarHBondContact O-CA 3.43Å; V387-R397 PolarHBondContact N-O 2.8Å; V387-R397 PolarHBondContact O-N 2.8Å
388Y95.9Very high91.4Very high60 Ų6042 Ų4224%0.23525%0.249CC..EExtended strand (participates in β ladder)trans-112.3140.6173.2-59.2-94.6000109.6L329 E330 K332 R386 A394L329-Y388 WeakPolarHBondContact CA-O 3.46Å; E330-Y388 HydrophobicContact CB-CD2 4.46Å; E330-Y388 PolarHBondContact N-O 2.9Å; E330-Y388 PolarHBondContact O-N 2.81Å; K332-Y388 HydrophobicContact CB-CE2 4.24Å; K332-Y388 HydrophobicContact CD-CD2 4.28Å; K332-Y388 HydrophobicContact CD-CE2 3.68Å; K332-Y388 HydrophobicContact CG-CD2 4.38Å; K332-Y388 HydrophobicContact CG-CE2 4.02Å; R386-Y388 HydrophobicContact CB-CE2 4.31Å; R386-Y388 WeakPolarHBondContact CD-OH 3.3Å; R386-Y388 HydrophobicContact CG-CD2 4.36Å; R386-Y388 HydrophobicContact CG-CE2 3.7Å; Y388-A394 WeakPolarHBondContact CE1-O 3.45Å
389H95.3Very high92.1Very high13 Ų1340.4 Ų40.46%0.0625%0.245CC..  trans-161.7153.3-179.2-175.6-105000109.7P295 F323 F324 P325 L329 S391 L392P295-H389 HydrophobicContact CG-CB 4.29Å; F323-H389 AromaticContact CD2-NE2 3.83Å; F324-H389 PolarHBondContact O-CE1 2.83Å; P325-H389 PolarHBondContact O-NE2 3.39Å; L329-H389 HydrophobicContact CD1-CB 4.23Å; H389-S391 PolarHBondContact CE1-OG 3.08Å; H389-S391 VanDerWaalsContact CE1-OG 3.23Å; H389-S391 PolarHBondContact ND1-N 2.85Å; H389-S391 PolarHBondContact ND1-OG 3.2Å; H389-S391 PolarHBondContact O-N 2.81Å; H389-S391 VanDerWaalsContact O-N 3.09Å; H389-L392 HydrophobicContact CB-CD1 4.09Å; H389-L392 HydrophobicContact CB-CG 4.2Å; H389-L392 PolarHBondContact O-N 3.09Å
390S93.2Very high92.5Very high68 Ų6841.7 Ų41.748%0.47625%0.254SS..THydrogen-bonded Turntrans-62.3-17.5-177.463.60000114.9
391S93.1Very high92.9Very high26 Ų2640.3 Ų40.318%0.18224%0.24CC..THydrogen-bonded Turntrans-98.53.6174.969.40000114.1K293 A294 H389K293-S391 PolarHBondContact O-OG 2.93Å; A294-S391 VanDerWaalsContact CA-OG 3.23Å; A294-S391 WeakPolarHBondContact CA-OG 3.41Å; A294-S391 PolarHBondContact N-OG 3.49Å; H389-S391 PolarHBondContact CE1-OG 3.08Å; H389-S391 VanDerWaalsContact CE1-OG 3.23Å; H389-S391 PolarHBondContact ND1-N 2.85Å; H389-S391 PolarHBondContact ND1-OG 3.2Å; H389-S391 PolarHBondContact O-N 2.81Å; H389-S391 VanDerWaalsContact O-N 3.09Å
392L94.3Very high93.1Very high20 Ų2041.2 Ų41.211%0.10525%0.245CC..SBendtrans-105.4159.2173.4-68.7176.9000111A294 P295 V387 H389 R397A294-L392 HydrophobicContact CB-CD2 4.1Å; P295-L392 HydrophobicContact CG-CD1 3.71Å; P295-L392 HydrophobicContact CG-CD2 4.38Å; P295-L392 HydrophobicContact CG-CG 4.09Å; V387-L392 WeakPolarHBondContact O-CD1 3.32Å; H389-L392 HydrophobicContact CB-CD1 4.09Å; H389-L392 HydrophobicContact CB-CG 4.2Å; H389-L392 PolarHBondContact O-N 3.09Å; L392-R397 HydrophobicContact CD1-CB 3.82Å; L392-R397 HydrophobicContact CD2-CB 4.07Å
393P92.5Very high93Very high88 Ų8838.1 Ų38.157%0.57123%0.231SC*.  trans-59.8161.2168.1-20.532.8000111.9S395 G396P393-S395 PolarHBondContact O-N 3.27Å; P393-G396 WeakPolarHBondContact O-CA 3.21Å; P393-G396 PolarHBondContact O-N 2.82Å
394A90.6Very high92.9Very high103 Ų10339.5 Ų39.585%0.85124%0.238SC*.THydrogen-bonded Turntrans-57-25.8179.100000113.9Y388 G396Y388-A394 WeakPolarHBondContact CE1-O 3.45Å; A394-G396 PolarHBondContact O-N 2.83Å
395S88.8Confident92.4Very high77 Ų7739.4 Ų39.454%0.53824%0.237SC..THydrogen-bonded Turntrans-71.2-10.9174.359.10000114.2R386 P393R386-S395 PolarHBondContact NH1-O 3.01Å; P393-S395 PolarHBondContact O-N 3.27Å
396G92.2Very high91.6Very high10 Ų1041.5 Ų41.510%0.10325%0.254CS..  trans65.3-171.5-170.400000112.9V387 P393 A394V387-G396 CarbonylContact O-C 3.54Å; V387-G396 WeakPolarHBondContact O-CA 3.43Å; P393-G396 WeakPolarHBondContact O-CA 3.21Å; P393-G396 PolarHBondContact O-N 2.82Å; A394-G396 PolarHBondContact O-N 2.83Å
397R94.6Very high90.4Very high112 Ų11244.3 Ų44.342%0.42329%0.291SS..EExtended strand (participates in β ladder)trans-120.1136.4172.9178.2170.8-75.1177.4-8108.8P295 V297 V387 L392P295-R397 PolarHBondContact O-NH1 3.49Å; V297-R397 HydrophobicContact CB-CG 4.08Å; V297-R397 HydrophobicContact CG2-CB 4.01Å; V297-R397 HydrophobicContact CG2-CG 3.76Å; V387-R397 PolarHBondContact N-O 2.8Å; V387-R397 PolarHBondContact O-N 2.8Å; L392-R397 HydrophobicContact CD1-CB 3.82Å; L392-R397 HydrophobicContact CD2-CB 4.07Å
398S93.3Very high88.7Confident53 Ų5350.5 Ų50.537%0.37132%0.318SS..EExtended strand (participates in β ladder)trans-123.1152.4-177.956.60000113.4C385C385-S398 CarbonylContact O-C 3.51Å; C385-S398 WeakPolarHBondContact O-CA 3.16Å; C385-S398 WeakPolarHBondContact O-CB 3.28Å
399A93.2Very high86.7Confident17 Ų1751.6 Ų51.614%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-131.1143.4166.600000108.5V297 L299 V384 C385V297-A399 HydrophobicContact CG1-CB 3.96Å; L299-A399 HydrophobicContact CB-CB 3.93Å; V384-A399 CarbonylContact C-O 3.56Å; V384-A399 WeakPolarHBondContact CA-O 3.23Å; C385-A399 PolarHBondContact N-O 2.82Å; C385-A399 PolarHBondContact O-N 2.82Å
400D92.7Very high85Confident87 Ų8753.5 Ų53.547%0.46536%0.358SS..EExtended strand (participates in β ladder)trans-129.6158.8-176.168.1-72.1000113.6H382 Y383 V384H382-D400 IonicContact ND1-OD2 3.91Å; H382-D400 PolarHBondContact ND1-OD2 2.92Å; Y383-D400 CarbonylContact O-C 3.56Å; Y383-D400 WeakPolarHBondContact O-CA 3.44Å; V384-D400 HydrophobicContact CB-CB 4.37Å; V384-D400 HydrophobicContact CG1-CB 4.45Å; V384-D400 HydrophobicContact CG2-CB 3.8Å
401V93.1Very high83.4Confident1 Ų155.5 Ų55.51%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-140.7140177.264.30000109.3L299 P301 P303 V305 L316 H382 Y383L299-V401 HydrophobicContact CD2-CB 3.69Å; L299-V401 HydrophobicContact CD2-CG1 3.53Å; L299-V401 HydrophobicContact CG-CG1 4.42Å; P301-V401 WeakPolarHBondContact O-CG2 3.41Å; P303-V401 WeakPolarHBondContact O-CG2 3.37Å; V305-V401 HydrophobicContact CB-CG2 4.26Å; V305-V401 HydrophobicContact CG2-CG2 3.67Å; L316-V401 HydrophobicContact CD1-CG1 3.93Å; L316-V401 HydrophobicContact CD2-CG1 4.19Å; H382-V401 CarbonylContact C-O 3.52Å; H382-V401 WeakPolarHBondContact CA-O 3.31Å; Y383-V401 PolarHBondContact N-O 3.31Å; Y383-V401 PolarHBondContact O-N 3.3Å
402T91.6Very high82.3Confident25 Ų2556.6 Ų56.615%0.15338%0.377CS..EExtended strand (participates in β ladder)trans-90.9133.2176.8-55.60000110.7P303 V304 V305 H382P303-T402 PolarHBondContact O-N 3.4Å; V304-T402 CarbonylContact C-O 3.59Å; V304-T402 WeakPolarHBondContact CA-O 3.38Å; V305-T402 PolarHBondContact N-O 2.81Å; H382-T402 PolarHBondContact CE1-OG1 2.8Å; H382-T402 VanDerWaalsContact CE1-OG1 3.26Å; H382-T402 PolarHBondContact ND1-OG1 2.86Å
403L88.8Confident81.2Confident1 Ų162.3 Ų62.31%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-92122.6172.4174.969.3000110.6V305 P313 V374 Q378 G380 V381 Y383 V405V305-L403 HydrophobicContact CG1-CD1 4.36Å; V305-L403 WeakPolarHBondContact O-CA 3.49Å; P313-L403 HydrophobicContact CB-CD1 4.39Å; P313-L403 HydrophobicContact CG-CD1 3.91Å; V374-L403 HydrophobicContact CB-CD2 4.21Å; V374-L403 HydrophobicContact CG1-CD1 4.43Å; V374-L403 HydrophobicContact CG1-CD2 3.57Å; Q378-L403 HydrophobicContact CB-CD2 4Å; G380-L403 PolarHBondContact N-O 2.86Å; V381-L403 PolarHBondContact O-N 2.79Å; Y383-L403 HydrophobicContact CD2-CB 4.16Å; Y383-L403 HydrophobicContact CE2-CB 3.77Å; Y383-L403 HydrophobicContact CE2-CD2 3.8Å; Y383-L403 HydrophobicContact CE2-CG 4.3Å; L403-V405 HydrophobicContact CD2-CG2 4.47Å; L403-V405 HydrophobicContact CG-CG2 4.46Å
404E87.9Confident80.4Confident39 Ų3965.2 Ų65.218%0.18241%0.413CS..EExtended strand (participates in β ladder)trans-111.4114.4175.8-67.9-64.6152.100109.9V304 V305 W306 A307 H379V304-E404 HydrophobicContact CG1-CB 4.01Å; V304-E404 HydrophobicContact CG1-CG 3.42Å; V304-E404 VanDerWaalsContact CG1-CG 3.42Å; V305-E404 PolarHBondContact O-N 2.81Å; W306-E404 WeakPolarHBondContact CA-O 3.44Å; W306-E404 HydrophobicContact CD2-CB 3.68Å; W306-E404 HydrophobicContact CE3-CB 3.33Å; W306-E404 HydrophobicContact CE3-CG 4.38Å; W306-E404 HydrophobicContact CG-CB 4.49Å; W306-E404 HydrophobicContact CH2-CB 3.68Å; W306-E404 HydrophobicContact CH2-CG 3.9Å; W306-E404 HydrophobicContact CZ2-CB 4.01Å; W306-E404 HydrophobicContact CZ2-CG 4.05Å; W306-E404 HydrophobicContact CZ3-CB 3.35Å; W306-E404 HydrophobicContact CZ3-CG 4.09Å; A307-E404 PolarHBondContact N-O 3.46Å; H379-E404 IonicContact CE1-OE2 2.75Å; H379-E404 PolarHBondContact CE1-OE2 3.47Å; H379-E404 IonicContact ND1-OE2 3.44Å; H379-E404 PolarHBondContact ND1-OE2 3.33Å; H379-E404 IonicContact NE2-OE2 3.9Å
405V83.9Confident79.7Confident1 Ų164.9 Ų64.91%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-85.6123.4177-175.50000109.8A307 P309 V374 H379 L403A307-V405 WeakPolarHBondContact O-CA 3.36Å; P309-V405 HydrophobicContact CB-CG1 4.47Å; P309-V405 HydrophobicContact CG-CG1 3.71Å; V374-V405 HydrophobicContact CG2-CG2 4.24Å; H379-V405 HydrophobicContact CB-CB 4.11Å; H379-V405 HydrophobicContact CB-CG2 4.09Å; H379-V405 PolarHBondContact ND1-N 2.81Å; L403-V405 HydrophobicContact CD2-CG2 4.47Å; L403-V405 HydrophobicContact CG-CG2 4.46Å
406A77.4Confident79.2Confident44 Ų4463 Ų6336%0.36439%0.389SS..THydrogen-bonded Turntrans-62.6143.2-179.700000111.6A307 P309A307-A406 PolarHBondContact O-N 3.07Å; P309-A406 WeakPolarHBondContact CD-O 3.08Å
407G69Low78.8Confident85 Ų8566.8 Ų66.888%0.87641%0.406SS*.THydrogen-bonded Turntrans87.13.7179.400000115.6
408F60.9Low78.3Confident130 Ų13063.1 Ų63.157%0.5740%0.403SS*.  trans-105.4-11174.5-137.2-97.1000114.1A376 G410A376-F408 HydrophobicContact CB-CD2 4.22Å; A376-F408 HydrophobicContact CB-CE2 4.2Å; F408-G410 PolarHBondContact O-N 2.86Å
409S54.3Low78.1Confident83 Ų8366.3 Ų66.358%0.5842%0.415SS*.  trans-72.692.4167.7-48.60000108.6
410G59.9Low77.9Confident54 Ų5471.7 Ų71.756%0.55744%0.436SS*.PPolyproline II helixtrans-59.9162.3161.700000110.4F408 S412F408-G410 PolarHBondContact O-N 2.86Å; G410-S412 PolarHBondContact O-N 3.33Å
411P60.3Low77.8Confident109 Ų10972.6 Ų72.671%0.70844%0.44SS*.PPolyproline II helixtrans-51.6128.6179.121.4-31.7000109.9D415P411-D415 HydrophobicContact CB-CB 4.07Å
412S68.8Low77.7Confident50 Ų5075.3 Ų75.335%0.3546%0.459SS..PPolyproline II helixtrans-59.1156.4175.7175.20000109.5G410 E414 D415 G416G410-S412 PolarHBondContact O-N 3.33Å; S412-E414 PolarHBondContact O-N 3.05Å; S412-E414 VanDerWaalsContact O-N 3.17Å; S412-E414 PolarHBondContact OG-N 3.24Å; S412-D415 WeakPolarHBondContact CB-OD2 3.17Å; S412-D415 PolarHBondContact N-OD2 2.74Å; S412-D415 WeakPolarHBondContact O-CA 3.44Å; S412-D415 WeakPolarHBondContact O-CB 3.47Å; S412-D415 PolarHBondContact O-N 3.46Å; S412-G416 PolarHBondContact O-N 2.97Å
413I70.9Confident77.8Confident140 Ų14076.2 Ų76.272%0.71847%0.469SS*.Hα-helixtrans-54.6-33.6168.9-68.6170.7000109.9G416 I417I413-G416 PolarHBondContact O-N 3.19Å; I413-I417 HydrophobicContact CG2-CD1 3.78Å; I413-I417 HydrophobicContact CG2-CG1 4.35Å; I413-I417 WeakPolarHBondContact O-CB 2.93Å; I413-I417 WeakPolarHBondContact O-CD1 3.45Å; I413-I417 WeakPolarHBondContact O-CG1 3.36Å; I413-I417 PolarHBondContact O-N 2.87Å
414E75.4Confident77.9Confident149 Ų14982 Ų8270%0.69650%0.495SS*.Hα-helixtrans-67.3-39.5174.7-68.8170.2157.300112.4S412 G416 I417 G418S412-E414 PolarHBondContact O-N 3.05Å; S412-E414 VanDerWaalsContact O-N 3.17Å; S412-E414 PolarHBondContact OG-N 3.24Å; E414-G416 VanDerWaalsContact C-N 3.31Å; E414-I417 PolarHBondContact O-N 2.81Å; E414-G418 PolarHBondContact O-N 3.11Å
415D76.1Confident78.1Confident95 Ų9585.7 Ų85.751%0.50852%0.515SS..Hα-helixtrans-65.7-38.2173.2-63.5-35.9000110.8P411 S412 G418 L419P411-D415 HydrophobicContact CB-CB 4.07Å; S412-D415 WeakPolarHBondContact CB-OD2 3.17Å; S412-D415 PolarHBondContact N-OD2 2.74Å; S412-D415 WeakPolarHBondContact O-CA 3.44Å; S412-D415 WeakPolarHBondContact O-CB 3.47Å; S412-D415 PolarHBondContact O-N 3.46Å; D415-G418 PolarHBondContact O-N 2.96Å; D415-L419 WeakPolarHBondContact O-CB 3.29Å; D415-L419 PolarHBondContact O-N 3.42Å
416G78.2Confident78.4Confident37 Ų3790.6 Ų90.638%0.38154%0.541SS..Hα-helixtrans-63.6-44.2173.900000112.5S412 I413 E414 L419 F420S412-G416 PolarHBondContact O-N 2.97Å; I413-G416 PolarHBondContact O-N 3.19Å; E414-G416 VanDerWaalsContact C-N 3.31Å; G416-L419 PolarHBondContact O-N 3.01Å; G416-F420 WeakPolarHBondContact O-CB 3.48Å; G416-F420 PolarHBondContact O-N 2.85Å
417I83.7Confident79Confident90 Ų9093.7 Ų93.746%0.46255%0.551SS.*Hα-helixtrans-64.2-42.4174.4-68.6163.2000110.2I413 E414 F420 L421I413-I417 HydrophobicContact CG2-CD1 3.78Å; I413-I417 HydrophobicContact CG2-CG1 4.35Å; I413-I417 WeakPolarHBondContact O-CB 2.93Å; I413-I417 WeakPolarHBondContact O-CD1 3.45Å; I413-I417 WeakPolarHBondContact O-CG1 3.36Å; I413-I417 PolarHBondContact O-N 2.87Å; E414-I417 PolarHBondContact O-N 2.81Å; I417-F420 PolarHBondContact O-N 2.86Å; I417-L421 HydrophobicContact CG2-CD1 3.79Å; I417-L421 HydrophobicContact CG2-CG 4.22Å; I417-L421 WeakPolarHBondContact O-CB 3.41Å; I417-L421 VanDerWaalsContact O-CG 3.27Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 2.88Å
418G85.8Confident79.9Confident36 Ų3691.3 Ų91.337%0.37153%0.526SS..Hα-helixtrans-63-44.217700000113E414 D415 F420 S422E414-G418 PolarHBondContact O-N 3.11Å; D415-G418 PolarHBondContact O-N 2.96Å; G418-F420 VanDerWaalsContact C-N 3.35Å; G418-S422 WeakPolarHBondContact O-CB 3.41Å; G418-S422 PolarHBondContact O-N 3.03Å; G418-S422 PolarHBondContact O-OG 3.27Å
419L89.1Confident81.3Confident119 Ų11990.2 Ų90.262%0.62353%0.525SS*.Hα-helixtrans-62.8-40.7173.5-103.8154000111.9D415 G416 S422 A423D415-L419 WeakPolarHBondContact O-CB 3.29Å; D415-L419 PolarHBondContact O-N 3.42Å; G416-L419 PolarHBondContact O-N 3.01Å; L419-S422 WeakPolarHBondContact CA-OG 3.48Å; L419-S422 PolarHBondContact O-OG 2.74Å; L419-A423 VanDerWaalsContact O-CB 3.3Å; L419-A423 WeakPolarHBondContact O-CB 3.02Å; L419-A423 PolarHBondContact O-N 2.84Å
420F88.3Confident82.8Confident131 Ų13191.3 Ų91.358%0.57552%0.524SS*.Hα-helixtrans-66.6-48.1177.5-168.2-97.2000111.7G416 I417 G418 S422 A423 F424G416-F420 WeakPolarHBondContact O-CB 3.48Å; G416-F420 PolarHBondContact O-N 2.85Å; I417-F420 PolarHBondContact O-N 2.86Å; G418-F420 VanDerWaalsContact C-N 3.35Å; F420-S422 PolarHBondContact O-N 3.39Å; F420-A423 PolarHBondContact O-N 3.29Å; F420-F424 AromaticContact CD1-CD2 3.82Å; F420-F424 HydrophobicContact CD1-CD2 3.82Å; F420-F424 AromaticContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD2-CE2 4.21Å; F420-F424 AromaticContact CE1-CD2 3.61Å; F420-F424 HydrophobicContact CE1-CD2 3.61Å; F420-F424 AromaticContact CE1-CE2 3.26Å; F420-F424 HydrophobicContact CE1-CE2 3.26Å; F420-F424 AromaticContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE2-CD2 4.33Å; F420-F424 AromaticContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CG-CD2 4.3Å; F420-F424 HydrophobicContact CG-CE2 4.36Å; F420-F424 AromaticContact CZ-CD2 3.91Å; F420-F424 HydrophobicContact CZ-CD2 3.91Å; F420-F424 AromaticContact CZ-CE2 3.11Å; F420-F424 HydrophobicContact CZ-CE2 3.11Å; F420-F424 AromaticContact CZ-CZ 3.78Å; F420-F424 HydrophobicContact CZ-CZ 3.78Å; F420-F424 WeakPolarHBondContact O-CD2 3.15Å; F420-F424 PolarHBondContact O-N 3.08Å
421L90.9Very high84.1Confident106 Ų10696.1 Ų96.156%0.55553%0.53SS*.Hα-helixtrans-63.2-42.9178.8-71.1174.7000112I417 F424 L425I417-L421 HydrophobicContact CG2-CD1 3.79Å; I417-L421 HydrophobicContact CG2-CG 4.22Å; I417-L421 WeakPolarHBondContact O-CB 3.41Å; I417-L421 VanDerWaalsContact O-CG 3.27Å; I417-L421 WeakPolarHBondContact O-CG 3.28Å; I417-L421 PolarHBondContact O-N 2.88Å; L421-F424 PolarHBondContact O-N 2.78Å; L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.91Å
422S90.8Very high85.2Confident58 Ų5894.9 Ų94.941%0.40652%0.52SS..Hα-helixtrans-64-40.1176.6550000112.2G418 L419 F420 L425 L426G418-S422 WeakPolarHBondContact O-CB 3.41Å; G418-S422 PolarHBondContact O-N 3.03Å; G418-S422 PolarHBondContact O-OG 3.27Å; L419-S422 WeakPolarHBondContact CA-OG 3.48Å; L419-S422 PolarHBondContact O-OG 2.74Å; F420-S422 PolarHBondContact O-N 3.39Å; S422-L425 PolarHBondContact O-N 2.86Å; S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 PolarHBondContact O-N 3.47Å
423A92.7Very high85.8Confident44 Ų4497.7 Ų97.736%0.36453%0.531SS..Hα-helixtrans-62.6-42.8174.100000112.4L419 F420 L426 L427L419-A423 VanDerWaalsContact O-CB 3.3Å; L419-A423 WeakPolarHBondContact O-CB 3.02Å; L419-A423 PolarHBondContact O-N 2.84Å; F420-A423 PolarHBondContact O-N 3.29Å; A423-L426 PolarHBondContact O-N 2.9Å; A423-L427 WeakPolarHBondContact O-CB 3.32Å; A423-L427 VanDerWaalsContact O-CG 3.31Å; A423-L427 WeakPolarHBondContact O-CG 3.43Å; A423-L427 PolarHBondContact O-N 2.86Å
424F91.5Very high86.1Confident123 Ų12392.9 Ų92.954%0.53952%0.516SS..Hα-helixtrans-63.8-40.3176-94.6-96.8000112.6F420 L421 L427 G428F420-F424 AromaticContact CD1-CD2 3.82Å; F420-F424 HydrophobicContact CD1-CD2 3.82Å; F420-F424 AromaticContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD1-CE2 3.91Å; F420-F424 HydrophobicContact CD2-CE2 4.21Å; F420-F424 AromaticContact CE1-CD2 3.61Å; F420-F424 HydrophobicContact CE1-CD2 3.61Å; F420-F424 AromaticContact CE1-CE2 3.26Å; F420-F424 HydrophobicContact CE1-CE2 3.26Å; F420-F424 AromaticContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE1-CZ 3.99Å; F420-F424 HydrophobicContact CE2-CD2 4.33Å; F420-F424 AromaticContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CE2-CE2 3.62Å; F420-F424 HydrophobicContact CG-CD2 4.3Å; F420-F424 HydrophobicContact CG-CE2 4.36Å; F420-F424 AromaticContact CZ-CD2 3.91Å; F420-F424 HydrophobicContact CZ-CD2 3.91Å; F420-F424 AromaticContact CZ-CE2 3.11Å; F420-F424 HydrophobicContact CZ-CE2 3.11Å; F420-F424 AromaticContact CZ-CZ 3.78Å; F420-F424 HydrophobicContact CZ-CZ 3.78Å; F420-F424 WeakPolarHBondContact O-CD2 3.15Å; F420-F424 PolarHBondContact O-N 3.08Å; L421-F424 PolarHBondContact O-N 2.78Å; F424-L427 PolarHBondContact O-N 3.1Å; F424-G428 PolarHBondContact O-N 3.17Å
425L91.4Very high86.2Confident115 Ų11595.5 Ų95.560%0.60252%0.519SS*.Hα-helixtrans-67.7-42.3179.1-142.4156.7000111.1L421 S422 G428 L429L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.91Å; S422-L425 PolarHBondContact O-N 2.86Å; L425-G428 PolarHBondContact O-N 3.24Å; L425-L429 HydrophobicContact CD2-CD1 3.7Å; L425-L429 HydrophobicContact CD2-CG 4.28Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.05Å
426L91.4Very high86.2Confident105 Ų10596.2 Ų96.255%0.5552%0.522SS..Hα-helixtrans-61.7-45.4172.9-100155.1000112.4S422 A423 G428 L429 L430S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 PolarHBondContact O-N 3.47Å; A423-L426 PolarHBondContact O-N 2.9Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 3.49Å; L426-L429 PolarHBondContact O-N 2.96Å; L426-L430 WeakPolarHBondContact O-CB 3.42Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.1Å
427L89.7Confident85.9Confident109 Ų10998.4 Ų98.457%0.57153%0.528SS*.Hα-helixtrans-64-38.6176.3-76.9166.5000112A423 F424 K431A423-L427 WeakPolarHBondContact O-CB 3.32Å; A423-L427 VanDerWaalsContact O-CG 3.31Å; A423-L427 WeakPolarHBondContact O-CG 3.43Å; A423-L427 PolarHBondContact O-N 2.86Å; F424-L427 PolarHBondContact O-N 3.1Å; L427-K431 PolarHBondContact O-N 3.1Å
428G88.4Confident85.1Confident35 Ų3596.8 Ų96.836%0.36153%0.528SS..Hα-helixtrans-61.1-49173.200000112.1F424 L425 L426 K431 V432F424-G428 PolarHBondContact O-N 3.17Å; L425-G428 PolarHBondContact O-N 3.24Å; L426-G428 VanDerWaalsContact C-N 3.33Å; L426-G428 PolarHBondContact O-N 3.49Å; G428-K431 PolarHBondContact O-N 3.2Å; G428-V432 WeakPolarHBondContact O-CG2 3.37Å; G428-V432 PolarHBondContact O-N 3.24Å
429L89.1Confident83.9Confident106 Ų10697.5 Ų97.556%0.55553%0.531SS*.Hα-helixtrans-61.3-44.4176.7-78.7163.2000112.2L425 L426 K431 V432 L433L425-L429 HydrophobicContact CD2-CD1 3.7Å; L425-L429 HydrophobicContact CD2-CG 4.28Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.05Å; L426-L429 PolarHBondContact O-N 2.96Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-K431 PolarHBondContact O-N 3.17Å; L429-V432 PolarHBondContact O-N 3.29Å; L429-L433 WeakPolarHBondContact O-CB 3.38Å; L429-L433 PolarHBondContact O-N 2.84Å
430L87.4Confident82.6Confident107 Ų107100.4 Ų100.456%0.5654%0.535SS*.Hα-helixtrans-62.7-38.6177-75.8165000112L426 G434L426-L430 WeakPolarHBondContact O-CB 3.42Å; L426-L430 VanDerWaalsContact O-CG 3.29Å; L426-L430 WeakPolarHBondContact O-CG 3.38Å; L426-L430 PolarHBondContact O-N 3.1Å; L430-G434 PolarHBondContact O-N 3.15Å
431K85.3Confident81.2Confident155 Ų155104.3 Ų104.367%0.67455%0.546SS*.Hα-helixtrans-65.7-44.3174.3-100.6-165.4172.1-178.70112.6L427 G428 L429 L433 G434 W435L427-K431 PolarHBondContact O-N 3.1Å; G428-K431 PolarHBondContact O-N 3.2Å; L429-K431 VanDerWaalsContact C-N 3.33Å; L429-K431 PolarHBondContact O-N 3.17Å; K431-L433 VanDerWaalsContact C-N 3.34Å; K431-G434 PolarHBondContact O-N 3Å; K431-W435 PolarHBondContact O-N 2.99Å
432V83.6Confident79.4Confident83 Ų83104.4 Ų104.450%0.50355%0.551SS.*Hα-helixtrans-64.1-42.1177.7171.80000110.5G428 L429 G434 W435 L436G428-V432 WeakPolarHBondContact O-CG2 3.37Å; G428-V432 PolarHBondContact O-N 3.24Å; L429-V432 PolarHBondContact O-N 3.29Å; V432-G434 VanDerWaalsContact C-N 3.34Å; V432-W435 PolarHBondContact O-N 3.11Å; V432-L436 HydrophobicContact CG1-CD1 3.94Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CB 3.39Å; V432-L436 WeakPolarHBondContact O-CG 3.38Å; V432-L436 PolarHBondContact O-N 3.22Å
433L81.4Confident77.5Confident109 Ų109107.5 Ų107.557%0.57156%0.561SS**Hα-helixtrans-64.3-40.4175.4-152.973.9000111.2L429 K431 L436 V437L429-L433 WeakPolarHBondContact O-CB 3.38Å; L429-L433 PolarHBondContact O-N 2.84Å; K431-L433 VanDerWaalsContact C-N 3.34Å; L433-L436 PolarHBondContact O-N 2.73Å; L433-V437 WeakPolarHBondContact O-CB 3.32Å; L433-V437 VanDerWaalsContact O-CG2 3.23Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 2.62Å
434G78.3Confident75.2Confident39 Ų39110.3 Ų110.340%0.40258%0.576SS.*Hα-helixtrans-62.6-40173.300000113.3L430 K431 V432 A438L430-G434 PolarHBondContact O-N 3.15Å; K431-G434 PolarHBondContact O-N 3Å; V432-G434 VanDerWaalsContact C-N 3.34Å; G434-A438 WeakPolarHBondContact O-CB 3.5Å; G434-A438 PolarHBondContact O-N 2.75Å
435W77.4Confident73.1Confident204 Ų204114 Ų11477%0.77360%0.595SS**Hα-helixtrans-67.9-40.6173.5-82.614.4000112.6K431 V432 A438 A439K431-W435 PolarHBondContact O-N 2.99Å; V432-W435 PolarHBondContact O-N 3.11Å; W435-A438 PolarHBondContact O-N 3.05Å; W435-A439 VanDerWaalsContact O-CB 3.23Å; W435-A439 WeakPolarHBondContact O-CB 3.36Å; W435-A439 PolarHBondContact O-N 3.26Å
436L76.1Confident70.6Confident109 Ų109115 Ų11557%0.57161%0.606SS**Hα-helixtrans-64.4-40.3175.3-77.4166.8000111.5V432 L433 A439 Y440V432-L436 HydrophobicContact CG1-CD1 3.94Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CB 3.39Å; V432-L436 WeakPolarHBondContact O-CG 3.38Å; V432-L436 PolarHBondContact O-N 3.22Å; L433-L436 PolarHBondContact O-N 2.73Å; L436-A439 PolarHBondContact O-N 2.88Å; L436-Y440 VanDerWaalsContact O-CB 3.32Å; L436-Y440 WeakPolarHBondContact O-CB 3.35Å; L436-Y440 PolarHBondContact O-N 3.3Å
437V71.5Confident68Low83 Ų83115.3 Ų115.350%0.50362%0.617SS.*Hα-helixtrans-67.5-42.5175172.90000111L433 A439 Y440 W441L433-V437 WeakPolarHBondContact O-CB 3.32Å; L433-V437 VanDerWaalsContact O-CG2 3.23Å; L433-V437 WeakPolarHBondContact O-CG2 3.47Å; L433-V437 PolarHBondContact O-N 2.62Å; V437-A439 PolarHBondContact O-N 3.39Å; V437-Y440 PolarHBondContact O-N 3.42Å; V437-W441 VanDerWaalsContact O-CD1 3.28Å; V437-W441 PolarHBondContact O-N 3.06Å; V437-W441 VanDerWaalsContact O-N 3.1Å
438A66.6Low65.7Low56 Ų56120 Ų12046%0.46363%0.632SS.*Hα-helixtrans-64.9-37.4175.200000112.8G434 W435 W441 T442G434-A438 WeakPolarHBondContact O-CB 3.5Å; G434-A438 PolarHBondContact O-N 2.75Å; W435-A438 PolarHBondContact O-N 3.05Å; A438-W441 PolarHBondContact O-N 2.88Å; A438-T442 WeakPolarHBondContact O-CG2 3.34Å; A438-T442 PolarHBondContact O-N 2.78Å; A438-T442 PolarHBondContact O-OG1 2.94Å
439A61.7Low63.1Low52 Ų52127.5 Ų127.543%0.4366%0.658SS.*Hα-helixtrans-67.9-37.1174.100000111.9W435 L436 V437 W441 T442W435-A439 VanDerWaalsContact O-CB 3.23Å; W435-A439 WeakPolarHBondContact O-CB 3.36Å; W435-A439 PolarHBondContact O-N 3.26Å; L436-A439 PolarHBondContact O-N 2.88Å; V437-A439 PolarHBondContact O-N 3.39Å; A439-W441 VanDerWaalsContact C-N 3.31Å; A439-W441 PolarHBondContact O-N 3.49Å; A439-T442 WeakPolarHBondContact CA-OG1 3.49Å; A439-T442 PolarHBondContact O-N 3.44Å; A439-T442 PolarHBondContact O-OG1 3.46Å; A439-T442 VanDerWaalsContact O-OG1 3.11Å
440Y61.9Low60.5Low179 Ų179132 Ų13270%0.70267%0.673SS**Hα-helixtrans-67.1-31.5176.7-162-95000112.6L436 V437 T442L436-Y440 VanDerWaalsContact O-CB 3.32Å; L436-Y440 WeakPolarHBondContact O-CB 3.35Å; L436-Y440 PolarHBondContact O-N 3.3Å; V437-Y440 PolarHBondContact O-N 3.42Å; Y440-T442 VanDerWaalsContact C-N 3.33Å
441W57.8Low57.8Low214 Ų214131 Ų13181%0.81168%0.681SS**THydrogen-bonded Turntrans-82-4.3174.9-82.976.9000114.5V437 A438 A439V437-W441 VanDerWaalsContact O-CD1 3.28Å; V437-W441 PolarHBondContact O-N 3.06Å; V437-W441 VanDerWaalsContact O-N 3.1Å; A438-W441 PolarHBondContact O-N 2.88Å; A439-W441 VanDerWaalsContact C-N 3.31Å; A439-W441 PolarHBondContact O-N 3.49Å
442T54Low55.4Low107 Ų107130.2 Ų130.266%0.65669%0.689SS**THydrogen-bonded Turntrans-111.919.4-179.546.60000113.8A438 A439 Y440 P444A438-T442 WeakPolarHBondContact O-CG2 3.34Å; A438-T442 PolarHBondContact O-N 2.78Å; A438-T442 PolarHBondContact O-OG1 2.94Å; A439-T442 WeakPolarHBondContact CA-OG1 3.49Å; A439-T442 PolarHBondContact O-N 3.44Å; A439-T442 PolarHBondContact O-OG1 3.46Å; A439-T442 VanDerWaalsContact O-OG1 3.11Å; Y440-T442 VanDerWaalsContact C-N 3.33Å; T442-P444 WeakPolarHBondContact O-CD 3.35Å
443I51.1Low53.1Low123 Ų123130.7 Ų130.763%0.63170%0.701SS**  trans-85.8115.3171.7-56.4175000109
444P44.3Very low50.9Low104 Ų104130.2 Ų130.268%0.67571%0.713SS**  trans-75.3134.6170.3-2.320.4000109.6T442 V446T442-P444 WeakPolarHBondContact O-CD 3.35Å; P444-V446 PolarHBondContact O-N 3.25Å
445E47.4Very low48.7Very low201 Ų201132.9 Ų132.994%0.93973%0.726SS**  trans-56.2122.4167.2-80.6-168.8140.400110.2
446V38.3Very low46.7Very low135 Ų135130.7 Ų130.782%0.81873%0.728SS**  trans-116.9127.3163.4172.80000108.9P444P444-V446 PolarHBondContact O-N 3.25Å
447S37.5Very low44.6Very low112 Ų112131.3 Ų131.378%0.78374%0.737SS**  trans-62.3145.7-168.256.10000115.3
448K41.7Very low43.1Very low207 Ų207134.8 Ų134.890%0.975%0.751SS**  trans-63.7139.5166.7-71.2173174171.60112.5
449E32.7Very low42.2Very low193 Ų193137.5 Ų137.590%0.90276%0.764SS**  trans-141143.1146.7-157.9166.7172.700111.9
450K34.3Very low41Very low200 Ų200145.6 Ų145.687%0.8778%0.783SS**  trans-64.8164.8-173.7-66.6165.5171.8173.10111.3
451A31.8Very low39.9Very low87 Ų87144.1 Ų144.172%0.71979%0.788SS**  cis-173.3140.647.700000112.9
452T34.9Very low38.8Very low137 Ų137137.6 Ų137.684%0.8477%0.774SS**  trans28.3130.1139.239.30000124.6
453A35Very low38.1Very low93 Ų93140.8 Ų140.877%0.76978%0.779SS**  108.1134.8117.900000121
454A34.4Very low37.6Very low99 Ų99143.6 Ų143.682%0.81879%0.787SS**  trans68.1148.3155.800000116.9
455S32.7Very low37.7Very low96 Ų96143.9 Ų143.967%0.67179%0.791SS**  cis-171.2154.3-15.259.80000105.2
456L34.7Very low37.6Very low157 Ų157146.8 Ų146.882%0.82281%0.805SS**  trans47.3119.9145.5-81.4148.1000119.3
457T31.7Very low37.5Very low123 Ų123147.4 Ų147.476%0.75580%0.804SS**  156125.7103.6-50.30000110.9
458I41.2Very low37.5Very low155 Ų155149.2 Ų149.280%0.79581%0.805SS**  trans-89.7136.9162.6-67.2166.2000107.6
459P47Very low37.3Very low113 Ų113146 Ų14673%0.73480%0.8SS**  -141.2135108.1193.7000112.5
460R37.8Very low37.6Very low223 Ų223143.2 Ų143.284%0.84279%0.794SS**  74.4105.274.7-158.5-176-159.9169.75.8114
461N37Very low37.8Very low148 Ų148139.7 Ų139.779%0.79179%0.789SS**  trans-158.9113.7137.9-115.4-21.3000106.7
462S36.4Very low38.2Very low76 Ų76143.2 Ų143.253%0.53179%0.794SS.*  49114.1701280000110.1
463K39.2Very low38.4Very low174 Ų174143.6 Ų143.676%0.75779%0.791SS**  -171.5140.853.1-112.1162.4-177.8177.10111.6
464K39.9Very low38.7Very low182 Ų182147.5 Ų147.579%0.79179%0.792SS**  61.6113.5127.3-74.9-176.3174.1-170.90118.2
465S45.2Very low39Very low110 Ų110151.6 Ų151.677%0.76979%0.79SS**  69.8105.975.6172.70000112.1
466Q45.3Very low39.6Very low262 Ų262156.6 Ų156.6100%1.22480%0.801SS**  -138.30109.1-138.81713.900109.2

Retrieved 466 of 466 residues in 557.3 ms (Link to these results)