A0A077YZM8_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YZM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 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
1M42.2Very low40.9Very low246 Ų246163.6 Ų163.6100%1.21283%0.828SS**  01230-83.5164.1144.500108.4S3M1-S3 PolarHBondContact O-N 3.08Å
2R35.9Very low40.9Very low250 Ų250158.6 Ų158.694%0.94381%0.811SS**  trans-67.3111.8-177.4-73.3177.3171.8177.2-3.3109.4L4R2-L4 PolarHBondContact O-N 3Å
3S43.3Very low40.7Very low113 Ų113154.5 Ų154.579%0.7980%0.801SS**  trans-84.1108.7177.3-167.60000109.2M1 I5M1-S3 PolarHBondContact O-N 3.08Å; S3-I5 PolarHBondContact O-N 3.23Å
4L41.6Very low41.1Very low162 Ų162149.6 Ų149.685%0.84878%0.782SS**  trans-67.7112.7171.8-94.9111.6000109.1R2 A6R2-L4 PolarHBondContact O-N 3Å; L4-A6 PolarHBondContact O-N 2.73Å; L4-A6 VanDerWaalsContact O-N 3.16Å
5I39.8Very low41Very low139 Ų139146.8 Ų146.871%0.71377%0.773SS**  trans-77.695.5171.1-58.5175.8000107.5S3 F7S3-I5 PolarHBondContact O-N 3.23Å; I5-F7 HydrophobicContact CG2-CD2 3.71Å; I5-F7 HydrophobicContact CG2-CE2 3.53Å; I5-F7 HydrophobicContact CG2-CZ 4.37Å; I5-F7 PolarHBondContact O-N 3.49Å
6A44.1Very low41.1Very low84 Ų84147.1 Ų147.169%0.69477%0.769SS**  trans-80.1101.9170.800000109.4L4 I8L4-A6 PolarHBondContact O-N 2.73Å; L4-A6 VanDerWaalsContact O-N 3.16Å; A6-I8 PolarHBondContact O-N 2.74Å; A6-I8 VanDerWaalsContact O-N 3.09Å
7F38.7Very low41.2Very low172 Ų172142.6 Ų142.675%0.75476%0.758SS**  trans-72.891.5169.1-86.2-91.7000109.7I5 F9I5-F7 HydrophobicContact CG2-CD2 3.71Å; I5-F7 HydrophobicContact CG2-CE2 3.53Å; I5-F7 HydrophobicContact CG2-CZ 4.37Å; I5-F7 PolarHBondContact O-N 3.49Å; F7-F9 PolarHBondContact O-N 3.37Å
8I43.2Very low41Very low140 Ų140145.4 Ų145.472%0.71876%0.758SS**  trans-80.2100166.4-65.9170.6000107.3A6 L10A6-I8 PolarHBondContact O-N 2.74Å; A6-I8 VanDerWaalsContact O-N 3.09Å; I8-L10 VanDerWaalsContact C-N 3.27Å; I8-L10 HydrophobicContact CG2-CD1 4.48Å; I8-L10 HydrophobicContact CG2-CG 4.12Å; I8-L10 PolarHBondContact O-N 2.65Å
9F39.2Very low40.7Very low183 Ų183145.1 Ų145.180%0.80376%0.757SS**  trans-6687.2164.9-87.2-91.3000109F7 L11F7-F9 PolarHBondContact O-N 3.37Å; F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.79Å
10L42.6Very low40.5Very low149 Ų149145.2 Ų145.278%0.7876%0.757SS**  trans-69.294.3163.9-91153.9000107.8I8 V12I8-L10 VanDerWaalsContact C-N 3.27Å; I8-L10 HydrophobicContact CG2-CD1 4.48Å; I8-L10 HydrophobicContact CG2-CG 4.12Å; I8-L10 PolarHBondContact O-N 2.65Å; L10-V12 PolarHBondContact O-N 3.44Å
11L39.8Very low40.5Very low162 Ų162143.3 Ų143.385%0.84874%0.741SS**  trans-51.8108.1165.5-80.5161.3000108.6F9 P13F9-L11 VanDerWaalsContact C-N 3.32Å; F9-L11 PolarHBondContact O-N 2.79Å; L11-P13 VanDerWaalsContact O-CD 3.23Å; L11-P13 WeakPolarHBondContact O-CD 3.36Å
12V40.3Very low40Very low103 Ų103136.7 Ų136.762%0.62472%0.719SS**  trans-67.3112-177.8-179.70000109.1L10 T14L10-V12 PolarHBondContact O-N 3.44Å; V12-T14 HydrophobicContact CG1-CG2 3.31Å; V12-T14 VanDerWaalsContact CG1-OG1 3.24Å; V12-T14 WeakPolarHBondContact CG1-OG1 3.23Å; V12-T14 PolarHBondContact O-N 2.8Å; V12-T14 VanDerWaalsContact O-N 3.12Å
13P38.4Very low39.9Very low105 Ų105132.7 Ų132.768%0.68271%0.711SS**  trans-896117435.8-26.9000108.7L11L11-P13 VanDerWaalsContact O-CD 3.23Å; L11-P13 WeakPolarHBondContact O-CD 3.36Å
14T46.4Very low39.7Very low87 Ų87130 Ų13053%0.53469%0.692SS.*  trans-90.6-7.717746.90000113.3V12V12-T14 HydrophobicContact CG1-CG2 3.31Å; V12-T14 VanDerWaalsContact CG1-OG1 3.24Å; V12-T14 WeakPolarHBondContact CG1-OG1 3.23Å; V12-T14 PolarHBondContact O-N 2.8Å; V12-T14 VanDerWaalsContact O-N 3.12Å
15V39.2Very low39.6Very low107 Ų107129.5 Ų129.565%0.64869%0.685SS**Hα-helixtrans-82.2-17.4-174.7-173.50000113L19V15-L19 HydrophobicContact CG1-CD1 4.49Å
16Q43.5Very low39.7Very low152 Ų152129.9 Ų129.971%0.7168%0.682SS**Hα-helixtrans-83.4-27.7-176.2-82.6168.3-38.400115
17A42.8Very low39.7Very low71 Ų71129.1 Ų129.159%0.58767%0.668SS**Hα-helixtrans-80.6-34.2-175.300000113.5L20A17-L20 PolarHBondContact O-N 3.25Å
18Y37.8Very low40.2Very low193 Ų193124.5 Ų124.576%0.75765%0.65SS**Hα-helixtrans-73-32-176.5-81.3-81000113.5L20 Y21Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 3.17Å; Y18-Y21 PolarHBondContact O-N 3.27Å
19L34Very low40.7Very low139 Ų139126.9 Ų126.973%0.72865%0.65SS**Hα-helixtrans-69.4-21.9178.8-75169.5000113.1V15V15-L19 HydrophobicContact CG1-CD1 4.49Å
20L38Very low41.6Very low147 Ų147119 Ų11977%0.7762%0.62SS**THydrogen-bonded Turntrans-80.4-18.9-179.3-85.2160.4000114.4A17 Y18A17-L20 PolarHBondContact O-N 3.25Å; Y18-L20 VanDerWaalsContact C-N 3.25Å; Y18-L20 PolarHBondContact O-N 3.17Å
21Y40.2Very low42.9Very low105 Ų105116.5 Ų116.541%0.41260%0.603SS.*THydrogen-bonded Turntrans-112.5-13.6-167.2-143-97.7000115.1Y18 L207 S238Y18-Y21 PolarHBondContact O-N 3.27Å; Y21-L207 WeakPolarHBondContact OH-CB 3.16Å; Y21-S238 WeakPolarHBondContact CE1-O 3.38Å
22S32Very low44.8Very low108 Ų108115.4 Ų115.476%0.75559%0.589SS**SBendtrans-79.5-17.9-178.8-178.30000113.9
23E32.6Very low46.9Very low166 Ų166110.7 Ų110.778%0.77656%0.56SS**SBendtrans-100.3102.3-177.1-72.1-163.5159.200112.1
24S39.2Very low48.9Very low56 Ų56111.9 Ų111.939%0.39255%0.552SS.*  trans87.581.8143.678.50000118.2K26S24-K26 PolarHBondContact O-N 3.07Å
25H39.8Very low50.9Low151 Ų151110.2 Ų110.270%0.69954%0.536SS*.  trans-65.938.9135.9-67.8-85.7000111.6V27H25-V27 PolarHBondContact O-N 2.93Å
26K42.5Very low53.3Low148 Ų148107.1 Ų107.164%0.64351%0.513SS*.  trans-7399174.1-78.5-178.4179.91740106.4S24 M28S24-K26 PolarHBondContact O-N 3.07Å; K26-M28 VanDerWaalsContact C-N 3.29Å; K26-M28 HydrophobicContact CB-CE 4.27Å; K26-M28 HydrophobicContact CB-CG 4.5Å; K26-M28 HydrophobicContact CD-CE 4.38Å; K26-M28 WeakPolarHBondContact O-CG 3.42Å; K26-M28 PolarHBondContact O-N 2.89Å
27V43Very low55.6Low68 Ų68106.4 Ų106.441%0.41251%0.505SS..  trans-60.895.6169.5-178.80000107.4H25 R29 T198H25-V27 PolarHBondContact O-N 2.93Å; V27-R29 PolarHBondContact O-N 2.81Å; V27-T198 HydrophobicContact CG1-CG2 4.12Å; V27-T198 HydrophobicContact CG2-CG2 3.57Å
28M50.7Low57.7Low74 Ų74103.4 Ų103.437%0.36548%0.48SS..  trans-86.3100.1-178.9-66.3-75.7-162.200109K26 Y157 G202K26-M28 VanDerWaalsContact C-N 3.29Å; K26-M28 HydrophobicContact CB-CE 4.27Å; K26-M28 HydrophobicContact CB-CG 4.5Å; K26-M28 HydrophobicContact CD-CE 4.38Å; K26-M28 WeakPolarHBondContact O-CG 3.42Å; K26-M28 PolarHBondContact O-N 2.89Å; M28-Y157 WeakPolarHBondContact CB-OH 3.05Å; M28-Y157 WeakPolarHBondContact CG-OH 3.36Å; M28-G202 WeakPolarHBondContact O-CA 3.49Å
29R52.9Low60.2Low190 Ų19099.3 Ų99.372%0.71747%0.468SS*.  trans-68.5141.1174-67.3-178.3-179.6177.6-0.1110.3V27V27-R29 PolarHBondContact O-N 2.81Å
30G58Low62.7Low18 Ų1894.5 Ų94.519%0.18644%0.444CS..  trans-54.8145.9166.100000111.2Q168G30-Q168 WeakPolarHBondContact CA-O 3.26Å
31K70.7Confident65Low96 Ų9695.8 Ų95.842%0.41744%0.439SS..  trans-116.3146.1179-67.6-175.5175.1-168.80109.5Y117 F118 I167 Q168K31-Y117 HydrophobicContact CD-CD2 3.28Å; K31-Y117 HydrophobicContact CD-CE2 3.16Å; K31-Y117 HydrophobicContact CD-CG 4.06Å; K31-Y117 HydrophobicContact CG-CD2 4.47Å; K31-Y117 VanDerWaalsContact NZ-CZ 3.27Å; K31-Y117 PolarHBondContact NZ-OH 2.98Å; K31-F118 HydrophobicContact CB-CE2 4.46Å; K31-F118 WeakPolarHBondContact O-CZ 3.42Å; K31-I167 WeakPolarHBondContact O-CA 3.4Å; K31-Q168 PolarHBondContact O-N 2.84Å
32Y79.9Confident67Low140 Ų14096.1 Ų96.155%0.54944%0.444SS..BIsolated β-bridgetrans-100.6142.6-178.8-65-94.4000110.7E162 I167Y32-E162 WeakPolarHBondContact CE1-OE2 3.34Å; Y32-I167 HydrophobicContact CD1-CG2 3.46Å; Y32-I167 VanDerWaalsContact CD1-CG2 3.46Å; Y32-I167 HydrophobicContact CE1-CG2 3.79Å; Y32-I167 HydrophobicContact CG-CG2 4.12Å
33S83.9Confident69.2Low4 Ų493.1 Ų93.13%0.02842%0.419CS..PPolyproline II helixtrans-83162.1172.276.70000112.7Y120 A133 R165 L166S33-Y120 WeakPolarHBondContact CA-OH 3.4Å; S33-A133 VanDerWaalsContact CB-CB 3.47Å; S33-R165 VanDerWaalsContact O-CD 3.32Å; S33-R165 WeakPolarHBondContact O-CD 3.44Å; S33-L166 VanDerWaalsContact CB-O 3.3Å; S33-L166 WeakPolarHBondContact CB-O 2.99Å; S33-L166 PolarHBondContact N-O 3.23Å; S33-L166 PolarHBondContact OG-N 2.93Å; S33-L166 PolarHBondContact OG-O 3.43Å
34Y80.1Confident71.3Confident129 Ų12990.2 Ų90.251%0.50641%0.413SS..PPolyproline II helixtrans-74.1154.6164-58.7-68.5000111.2F102 Y120Y34-F102 HydrophobicContact CD2-CE2 4.09Å; Y34-F102 HydrophobicContact CD2-CZ 4.35Å; Y34-F102 HydrophobicContact CE2-CE2 4.44Å; Y34-F102 HydrophobicContact CE2-CZ 4.48Å; Y34-Y120 HydrophobicContact CD2-CE1 4.21Å; Y34-Y120 HydrophobicContact CD2-CE2 4.42Å; Y34-Y120 AromaticContact CD2-CZ 3.75Å; Y34-Y120 VanDerWaalsContact CD2-OH 3.29Å; Y34-Y120 WeakPolarHBondContact CD2-OH 3.37Å; Y34-Y120 PolarHBondContact N-OH 2.93Å
35Y87.8Confident73.1Confident52 Ų5288.6 Ų88.620%0.20440%0.399CS..EExtended strand (participates in β ladder)trans-155.3128.4172.6177.9-94.6000109.1Y37 V130 F131 E132 D164Y35-Y37 AromaticContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CE1 4.41Å; Y35-V130 HydrophobicContact CD2-CG1 4.16Å; Y35-V130 HydrophobicContact CE2-CG1 3.44Å; Y35-V130 VanDerWaalsContact CE2-CG1 3.44Å; Y35-F131 WeakPolarHBondContact CA-O 3.3Å; Y35-E132 HydrophobicContact CD2-CB 3.79Å; Y35-E132 HydrophobicContact CE2-CB 4.19Å; Y35-D164 HydrophobicContact CD1-CB 3.62Å; Y35-D164 HydrophobicContact CD2-CB 3.77Å; Y35-D164 WeakPolarHBondContact CD2-O 3.35Å; Y35-D164 HydrophobicContact CE1-CB 3.55Å; Y35-D164 HydrophobicContact CE2-CB 3.72Å; Y35-D164 HydrophobicContact CG-CB 3.72Å
36Y91Very high74.6Confident42 Ų4286.5 Ų86.517%0.16539%0.386CS..EExtended strand (participates in β ladder)trans-156.4155171.550.9-91.3000110.4D80 F81 V101 F131Y36-D80 HydrophobicContact CD2-CB 3.79Å; Y36-D80 HydrophobicContact CE2-CB 3.4Å; Y36-D80 VanDerWaalsContact CE2-CB 3.4Å; Y36-F81 HydrophobicContact CD2-CE1 4.4Å; Y36-F81 AromaticContact CD2-CE2 3.62Å; Y36-F81 HydrophobicContact CD2-CE2 3.62Å; Y36-F81 AromaticContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CD2-CZ 3.48Å; Y36-F81 VanDerWaalsContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CE2-CE2 4.21Å; Y36-F81 HydrophobicContact CE2-CZ 4.01Å; Y36-V101 PolarHBondContact OH-O 2.95Å; Y36-F131 HydrophobicContact CD1-CB 4.32Å; Y36-F131 AromaticContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CG 4.49Å; Y36-F131 HydrophobicContact CD2-CB 3.74Å; Y36-F131 HydrophobicContact CE1-CB 3.97Å; Y36-F131 AromaticContact CE1-CD1 3.1Å; Y36-F131 HydrophobicContact CE1-CD1 3.1Å; Y36-F131 AromaticContact CE1-CE1 3.71Å; Y36-F131 HydrophobicContact CE1-CE1 3.71Å; Y36-F131 AromaticContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE2-CB 3.31Å; Y36-F131 HydrophobicContact CE2-CD1 4.02Å; Y36-F131 AromaticContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CG-CB 4.22Å; Y36-F131 VanDerWaalsContact CZ-CB 3.46Å; Y36-F131 AromaticContact CZ-CD1 3.2Å; Y36-F131 AromaticContact CZ-CE1 3.9Å; Y36-F131 AromaticContact CZ-CG 3.33Å; Y36-F131 PolarHBondContact N-O 3.03Å; Y36-F131 VanDerWaalsContact N-O 3.13Å; Y36-F131 PolarHBondContact O-N 3.05Å; Y36-F131 VanDerWaalsContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CG 3.45Å
37Y91.5Very high76.3Confident137 Ų13786 Ų8654%0.53738%0.383SS..EExtended strand (participates in β ladder)trans-142.2156.8-17667.7-88.6000111.6Y35 L128 L129Y35-Y37 AromaticContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CD1 3.81Å; Y35-Y37 HydrophobicContact CE1-CE1 4.41Å; Y37-L128 HydrophobicContact CD2-CD1 4.46Å; Y37-L128 HydrophobicContact CD2-CD2 4.04Å; Y37-L129 WeakPolarHBondContact CA-O 3.07Å
38A86.8Confident78Confident8 Ų886 Ų867%0.06638%0.376CS..EExtended strand (participates in β ladder)trans-130.2143.5169.700000109.7F81 Y83 P97 L128 L129A38-F81 HydrophobicContact CB-CD1 3.89Å; A38-F81 HydrophobicContact CB-CD2 3.64Å; A38-F81 HydrophobicContact CB-CE1 3.9Å; A38-F81 HydrophobicContact CB-CE2 3.64Å; A38-F81 HydrophobicContact CB-CG 3.76Å; A38-F81 HydrophobicContact CB-CZ 3.77Å; A38-Y83 HydrophobicContact CB-CE1 4.12Å; A38-Y83 WeakPolarHBondContact CB-OH 3.48Å; A38-P97 HydrophobicContact CB-CB 3.89Å; A38-P97 HydrophobicContact CB-CG 4.09Å; A38-L128 WeakPolarHBondContact O-CA 3.36Å; A38-L129 PolarHBondContact N-O 3.14Å; A38-L129 PolarHBondContact O-N 2.05Å
39E90.4Very high79.1Confident108 Ų10885.9 Ų85.951%0.50538%0.379SS..EExtended strand (participates in β ladder)trans-107.8150.9176.6-170.5169.8-166.400110.5R41 L128E39-R41 PolarHBondContact O-N 2.98Å; E39-L128 HydrophobicContact CB-CD2 3.49Å; E39-L128 VanDerWaalsContact CB-CD2 3.49Å; E39-L128 HydrophobicContact CG-CD2 3.68Å
40V85.9Confident80.2Confident37 Ų3778.8 Ų78.822%0.22436%0.357CS..  trans-57.9126.9167.61790000109.9K94 I95 V96 K127V40-K94 HydrophobicContact CG1-CB 4.44Å; V40-I95 WeakPolarHBondContact CA-O 3.43Å; V40-V96 HydrophobicContact CG1-CG2 4.17Å; V40-V96 HydrophobicContact CG2-CG1 4.23Å; V40-V96 HydrophobicContact CG2-CG2 4.48Å; V40-K127 PolarHBondContact N-O 2.84Å
41R85.5Confident81Confident175 Ų17585.2 Ų85.266%0.6638%0.377SS*.EExtended strand (participates in β ladder)trans-104.4134.4173.5-64.4-176.8177.6-173.2-1.2110.4E39 K94 I95E39-R41 PolarHBondContact O-N 2.98Å; R41-K94 WeakPolarHBondContact O-CA 3.24Å; R41-I95 HydrophobicContact CB-CB 4.4Å; R41-I95 PolarHBondContact N-O 2.89Å; R41-I95 PolarHBondContact O-N 3.44Å
42E83.6Confident81.2Confident111 Ų11186.9 Ų86.952%0.51939%0.386SS..EExtended strand (participates in β ladder)trans-102.5128.3172.9-56.7-169.9154.300108.4K94E42-K94 HydrophobicContact CG-CG 4.24Å; E42-K94 WeakPolarHBondContact OE1-CE 2.99Å; E42-K94 IonicContact OE1-NZ 2.73Å; E42-K94 PolarHBondContact OE1-NZ 3.36Å
43I78.5Confident81.2Confident46 Ų4684.6 Ų84.624%0.23641%0.405CS..EExtended strand (participates in β ladder)trans-132159.2177.758.7170.4000110C62 E63 M92 S93 I95I43-C62 HydrophobicContact CD1-CB 4.04Å; I43-E63 WeakPolarHBondContact CD1-O 3.48Å; I43-M92 WeakPolarHBondContact O-CA 3.26Å; I43-S93 PolarHBondContact N-O 3.22Å; I43-S93 PolarHBondContact O-N 2.03Å; I43-S93 VanDerWaalsContact O-O 3.12Å; I43-I95 HydrophobicContact CD1-CD1 3.93Å; I43-I95 HydrophobicContact CD1-CG1 4.34Å
44V74.9Confident81.1Confident105 Ų10587.8 Ų87.864%0.63644%0.439SS*.EExtended strand (participates in β ladder)trans-59.5140.3173.3-177.30000109.2Y46V44-Y46 VanDerWaalsContact O-CD2 3.23Å; V44-Y46 WeakPolarHBondContact O-CD2 3.42Å; V44-Y46 PolarHBondContact O-N 3.38Å
45E77.2Confident81Confident21 Ų2189.4 Ų89.410%0.09845%0.448CS..PPolyproline II helixtrans-62.1118174.5176.4171.9152.200110K47 A60 Y72 R87 Y91E45-K47 HydrophobicContact CG-CG 4.39Å; E45-K47 WeakPolarHBondContact OE1-CE 3.48Å; E45-K47 IonicContact OE1-NZ 3.98Å; E45-A60 HydrophobicContact CG-CB 4.26Å; E45-A60 WeakPolarHBondContact OE1-CB 3.27Å; E45-Y72 VanDerWaalsContact CD-OH 3.28Å; E45-Y72 WeakPolarHBondContact CG-OH 3.31Å; E45-Y72 PolarHBondContact OE2-OH 2.93Å; E45-R87 IonicContact OE1-NH2 3.57Å; E45-Y91 WeakPolarHBondContact CB-O 3.41Å; E45-Y91 PolarHBondContact N-O 2.9Å
46Y72.9Confident80.4Confident108 Ų10893 Ų9342%0.42447%0.467SS..EExtended strand (participates in β ladder)trans-93.1131.2173.5-85-96.5000109.7V44 W48 A60 G61 E63V44-Y46 VanDerWaalsContact O-CD2 3.23Å; V44-Y46 WeakPolarHBondContact O-CD2 3.42Å; V44-Y46 PolarHBondContact O-N 3.38Å; Y46-W48 WeakPolarHBondContact O-CZ3 3.23Å; Y46-A60 WeakPolarHBondContact O-CA 3.3Å; Y46-G61 PolarHBondContact O-N 3.38Å; Y46-E63 HydrophobicContact CD1-CB 4.3Å; Y46-E63 HydrophobicContact CD2-CB 3.76Å; Y46-E63 WeakPolarHBondContact CE1-OE2 3.1Å; Y46-E63 HydrophobicContact CE2-CB 4.12Å; Y46-E63 WeakPolarHBondContact CE2-OE2 3.46Å; Y46-E63 HydrophobicContact CG-CB 3.86Å; Y46-E63 PolarHBondContact OH-OE2 3.03Å
47K77.7Confident79.8Confident137 Ų13793.7 Ų93.760%0.59648%0.476SS*.EExtended strand (participates in β ladder)trans-114.4131.8176.7-63.5-177.9-179.4178.60109.3E45 A59 A60E45-K47 HydrophobicContact CG-CG 4.39Å; E45-K47 WeakPolarHBondContact OE1-CE 3.48Å; E45-K47 IonicContact OE1-NZ 3.98Å; K47-A59 WeakPolarHBondContact CA-O 3.05Å; K47-A60 HydrophobicContact CG-CB 4.3Å
48W78.9Confident79Confident67 Ų6794.9 Ų94.925%0.25449%0.486SS..EExtended strand (participates in β ladder)trans-142.5165176.75890.2000110.3Y46 A59 L71Y46-W48 WeakPolarHBondContact O-CZ3 3.23Å; W48-A59 PolarHBondContact N-O 3.37Å; W48-A59 PolarHBondContact O-N 3.25Å; W48-A59 VanDerWaalsContact O-O 3.14Å; W48-L71 HydrophobicContact CZ2-CD2 3.99Å
49V74.2Confident78.7Confident73 Ų7395 Ų9544%0.44249%0.487SS..EExtended strand (participates in β ladder)trans-97.6134-179.8-176.90000109.4E56V49-E56 HydrophobicContact CG1-CB 3.69Å; V49-E56 HydrophobicContact CG1-CG 3.7Å
50T74.4Confident78.4Confident40 Ų4091 Ų9125%0.24547%0.472CS..EExtended strand (participates in β ladder)trans-120.2152.9170.867.20000109.2V57 A59T50-V57 PolarHBondContact N-O 2.69Å; T50-V57 PolarHBondContact O-N 3.41Å; T50-V57 PolarHBondContact OG1-O 2.82Å; T50-A59 HydrophobicContact CG2-CB 3.78Å
51Y75.7Confident78.6Confident154 Ų15489.2 Ų89.260%0.60446%0.461SS*.EExtended strand (participates in β ladder)trans-105.7116.8177.1-68.1-92.8000109.9K55 E56Y51-K55 WeakPolarHBondContact CA-O 3.43Å; Y51-E56 HydrophobicContact CD1-CG 3.86Å; Y51-E56 HydrophobicContact CE1-CB 4.44Å; Y51-E56 HydrophobicContact CE1-CG 3.19Å; Y51-E56 PolarHBondContact OH-OE1 3.24Å
52Q74.1Confident78.9Confident131 Ų13180.9 Ų80.961%0.61243%0.43SS*.EExtended strand (participates in β ladder)trans-119.4120.3172.6-70.3-173.2-14.700109.2G54 K55 V57Q52-G54 PolarHBondContact O-N 2.9Å; Q52-K55 PolarHBondContact N-O 2.54Å; Q52-K55 PolarHBondContact O-N 2.69Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; Q52-V57 HydrophobicContact CB-CG2 4.21Å
53G81.3Confident79.1Confident91 Ų9178.1 Ų78.194%0.93842%0.417SS*.THydrogen-bonded Turntrans58.231.5-178.300000113.9K55G53-K55 VanDerWaalsContact C-N 3.29Å; G53-K55 PolarHBondContact O-N 2.99Å
54G79.9Confident79.5Confident72 Ų7277.8 Ų77.874%0.74242%0.417SS*.THydrogen-bonded Turntrans783-178.600000115.4Q52Q52-G54 PolarHBondContact O-N 2.9Å
55K78.1Confident79.9Confident162 Ų16275.9 Ų75.970%0.70441%0.409SS*.EExtended strand (participates in β ladder)trans-102.2137.9173.8-65.7-175.3-179.7-179.10110.7Y51 Q52 G53 V57Y51-K55 WeakPolarHBondContact CA-O 3.43Å; Q52-K55 PolarHBondContact N-O 2.54Å; Q52-K55 PolarHBondContact O-N 2.69Å; Q52-K55 VanDerWaalsContact O-N 3.1Å; G53-K55 VanDerWaalsContact C-N 3.29Å; G53-K55 PolarHBondContact O-N 2.99Å; K55-V57 PolarHBondContact O-N 2.68Å
56E76.2Confident80.1Confident129 Ų12981 Ų8160%0.60344%0.443SS*.EExtended strand (participates in β ladder)trans-67.5123.1169.3-74.4-174.7-178.400109.9V49 Y51V49-E56 HydrophobicContact CG1-CB 3.69Å; V49-E56 HydrophobicContact CG1-CG 3.7Å; Y51-E56 HydrophobicContact CD1-CG 3.86Å; Y51-E56 HydrophobicContact CE1-CB 4.44Å; Y51-E56 HydrophobicContact CE1-CG 3.19Å; Y51-E56 PolarHBondContact OH-OE1 3.24Å
57V77.9Confident80.5Confident56 Ų5679.5 Ų79.534%0.33946%0.461SS..EExtended strand (participates in β ladder)trans-120.2118.7176-174.70000107.6T50 Q52 K55 A59T50-V57 PolarHBondContact N-O 2.69Å; T50-V57 PolarHBondContact O-N 3.41Å; T50-V57 PolarHBondContact OG1-O 2.82Å; Q52-V57 HydrophobicContact CB-CG2 4.21Å; K55-V57 PolarHBondContact O-N 2.68Å; V57-A59 PolarHBondContact O-N 3.09Å
58Q75.8Confident80.8Confident161 Ų16176.6 Ų76.675%0.75246%0.455SS*.EExtended strand (participates in β ladder)trans-65.5118.1169-79.5-172.13.700109
59A79.6Confident81.2Confident12 Ų1275.1 Ų75.110%0.09946%0.46CS..EExtended strand (participates in β ladder)trans-104.4143.8173.600000109.6K47 W48 T50 V57 L71K47-A59 WeakPolarHBondContact CA-O 3.05Å; W48-A59 PolarHBondContact N-O 3.37Å; W48-A59 PolarHBondContact O-N 3.25Å; W48-A59 VanDerWaalsContact O-O 3.14Å; T50-A59 HydrophobicContact CG2-CB 3.78Å; V57-A59 PolarHBondContact O-N 3.09Å; A59-L71 HydrophobicContact CB-CD2 3.55Å
60A84.3Confident81.9Confident22 Ų2272.3 Ų72.318%0.18244%0.443CS..EExtended strand (participates in β ladder)trans-125.3147172.900000109.5E45 Y46 K47 Y72E45-A60 HydrophobicContact CG-CB 4.26Å; E45-A60 WeakPolarHBondContact OE1-CB 3.27Å; Y46-A60 WeakPolarHBondContact O-CA 3.3Å; K47-A60 HydrophobicContact CG-CB 4.3Å; A60-Y72 HydrophobicContact CB-CD2 4.4Å; A60-Y72 HydrophobicContact CB-CE2 3.64Å; A60-Y72 VanDerWaalsContact O-CD2 3.3Å; A60-Y72 WeakPolarHBondContact O-CD2 3.39Å
61G90.6Very high82.7Confident0 Ų073.1 Ų73.10%045%0.445CS..EExtended strand (participates in β ladder)trans179.3-145.5-17800000113.1Y46 V70 C85 S93Y46-G61 PolarHBondContact O-N 3.38Å; G61-V70 WeakPolarHBondContact CA-O 3.35Å; G61-C85 VanDerWaalsContact C-SG 3.55Å; G61-S93 WeakPolarHBondContact O-CB 3.01Å; G61-S93 PolarHBondContact O-OG 2.79Å
62C90.9Very high83.4Confident0 Ų068.6 Ų68.60%043%0.428CS..EExtended strand (participates in β ladder)trans-112.8130.3-177.1-57.50000109.3I43 V64 G69 V70 C85 I95I43-C62 HydrophobicContact CD1-CB 4.04Å; C62-V64 HydrophobicContact CB-CG1 4.42Å; C62-G69 WeakPolarHBondContact O-CA 3.36Å; C62-V70 PolarHBondContact N-O 2.87Å; C62-V70 PolarHBondContact O-N 3.47Å; C62-C85 HydrophobicContact CB-CB 3.75Å; C62-C85 WeakPolarHBondContact CB-SG 3.49Å; C62-C85 PolarHBondContact N-SG 2.81Å; C62-C85 WeakPolarHBondContact SG-CA 3.39Å; C62-C85 WeakPolarHBondContact SG-CB 3.49Å; C62-C85 CovalentContact SG-SG 2.04Å; C62-C85 PolarHBondContact SG-SG 2.81Å; C62-I95 HydrophobicContact CB-CD1 4.17Å; C62-I95 HydrophobicContact CB-CG1 3.84Å
63E88.1Confident84.3Confident53 Ų5364.8 Ų64.825%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-81.5116164-172.6175.7-149.500108.6I43 Y46 S65 P66 G67I43-E63 WeakPolarHBondContact CD1-O 3.48Å; Y46-E63 HydrophobicContact CD1-CB 4.3Å; Y46-E63 HydrophobicContact CD2-CB 3.76Å; Y46-E63 WeakPolarHBondContact CE1-OE2 3.1Å; Y46-E63 HydrophobicContact CE2-CB 4.12Å; Y46-E63 WeakPolarHBondContact CE2-OE2 3.46Å; Y46-E63 HydrophobicContact CG-CB 3.86Å; Y46-E63 PolarHBondContact OH-OE2 3.03Å; E63-S65 VanDerWaalsContact CG-O 3.24Å; E63-S65 WeakPolarHBondContact CG-O 3.48Å; E63-P66 WeakPolarHBondContact OE1-CA 3.49Å; E63-G67 PolarHBondContact OE1-N 3.19Å
64V87.4Confident84.9Confident39 Ų3964.9 Ų64.924%0.23640%0.4CS..EExtended strand (participates in β ladder)trans-98.9-19-176-580000112.5C62 V68 V70 F76 I95C62-V64 HydrophobicContact CB-CG1 4.42Å; V64-V68 HydrophobicContact CG2-CB 4.17Å; V64-V68 HydrophobicContact CG2-CG1 3.79Å; V64-V68 WeakPolarHBondContact CG2-O 3.47Å; V64-V68 PolarHBondContact N-O 3.23Å; V64-V70 HydrophobicContact CB-CG2 4.42Å; V64-V70 HydrophobicContact CG1-CB 4.14Å; V64-V70 HydrophobicContact CG1-CG2 3.62Å; V64-V70 HydrophobicContact CG2-CG2 3.87Å; V64-F76 HydrophobicContact CB-CD2 4.41Å; V64-F76 HydrophobicContact CB-CE2 3.92Å; V64-F76 HydrophobicContact CB-CZ 3.96Å; V64-F76 HydrophobicContact CG1-CD1 3.98Å; V64-F76 HydrophobicContact CG1-CD2 4.21Å; V64-F76 HydrophobicContact CG1-CE1 3.44Å; V64-F76 VanDerWaalsContact CG1-CE1 3.44Å; V64-F76 HydrophobicContact CG1-CE2 3.71Å; V64-F76 HydrophobicContact CG1-CG 4.33Å; V64-F76 HydrophobicContact CG1-CZ 3.27Å; V64-I95 HydrophobicContact CG1-CD1 4.28Å
65S83.1Confident85.7Confident66 Ų6665.5 Ų65.546%0.46239%0.389SS..EExtended strand (participates in β ladder)trans-159157.2172.1-69.50000107.4E63 G67 V68E63-S65 VanDerWaalsContact CG-O 3.24Å; E63-S65 WeakPolarHBondContact CG-O 3.48Å; S65-G67 PolarHBondContact O-N 2.92Å; S65-V68 PolarHBondContact O-N 2.77Å
66P80.5Confident86.4Confident127 Ų12759.7 Ų59.783%0.82536%0.364SS*.THydrogen-bonded Turntrans-50.1116-179-28.736000112.3E63 V68E63-P66 WeakPolarHBondContact OE1-CA 3.49Å; P66-V68 VanDerWaalsContact C-N 3.32Å; P66-V68 PolarHBondContact O-N 3.39Å
67G80.6Confident87.3Confident77 Ų7758.9 Ų58.979%0.79436%0.358SS*.THydrogen-bonded Turntrans79.62-179.200000116.1E63 S65E63-G67 PolarHBondContact OE1-N 3.19Å; S65-G67 PolarHBondContact O-N 2.92Å
68V84.7Confident87.9Confident77 Ų7758.3 Ų58.347%0.46736%0.36SS..EExtended strand (participates in β ladder)trans-110.6104.3177-174.60000109.5V64 S65 P66V64-V68 HydrophobicContact CG2-CB 4.17Å; V64-V68 HydrophobicContact CG2-CG1 3.79Å; V64-V68 WeakPolarHBondContact CG2-O 3.47Å; V64-V68 PolarHBondContact N-O 3.23Å; S65-V68 PolarHBondContact O-N 2.77Å; P66-V68 VanDerWaalsContact C-N 3.32Å; P66-V68 PolarHBondContact O-N 3.39Å
69G86.6Confident88.5Confident36 Ų3653.6 Ų53.637%0.37136%0.355SS..EExtended strand (participates in β ladder)trans-97.1142176.700000112.8C62C62-G69 WeakPolarHBondContact O-CA 3.36Å
70V89.8Confident89.2Confident13 Ų1357.2 Ų57.28%0.07937%0.372CS..EExtended strand (participates in β ladder)trans-119.1129.1172.4178.20000108.5G61 C62 V64 Q74 F76 C85G61-V70 WeakPolarHBondContact CA-O 3.35Å; C62-V70 PolarHBondContact N-O 2.87Å; C62-V70 PolarHBondContact O-N 3.47Å; V64-V70 HydrophobicContact CB-CG2 4.42Å; V64-V70 HydrophobicContact CG1-CB 4.14Å; V64-V70 HydrophobicContact CG1-CG2 3.62Å; V64-V70 HydrophobicContact CG2-CG2 3.87Å; V70-Q74 HydrophobicContact CG1-CB 3.54Å; V70-F76 HydrophobicContact CB-CD1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 4.06Å; V70-F76 HydrophobicContact CG2-CB 4.37Å; V70-F76 HydrophobicContact CG2-CD1 3.99Å; V70-F76 HydrophobicContact CG2-CG 4.24Å; V70-C85 HydrophobicContact CG1-CB 4.12Å
71L91.1Very high89.8Confident57 Ų5756.7 Ų56.730%0.29837%0.366SS..EExtended strand (participates in β ladder)trans-70.1156.4-178.4-57.5177.5000111.4W48 A59 G73 Q74W48-L71 HydrophobicContact CZ2-CD2 3.99Å; A59-L71 HydrophobicContact CB-CD2 3.55Å; L71-G73 PolarHBondContact O-N 3.42Å; L71-Q74 HydrophobicContact CB-CG 4.02Å; L71-Q74 VanDerWaalsContact O-CB 3.32Å; L71-Q74 WeakPolarHBondContact O-CB 3.49Å; L71-Q74 PolarHBondContact O-N 3.13Å
72Y91.6Very high90Very high60 Ų6057 Ų5724%0.23537%0.368CS..THydrogen-bonded Turntrans-54.5138.7171.2-65.4-51.1000112.2E45 A60 Q74 C85 R87 S93E45-Y72 VanDerWaalsContact CD-OH 3.28Å; E45-Y72 WeakPolarHBondContact CG-OH 3.31Å; E45-Y72 PolarHBondContact OE2-OH 2.93Å; A60-Y72 HydrophobicContact CB-CD2 4.4Å; A60-Y72 HydrophobicContact CB-CE2 3.64Å; A60-Y72 VanDerWaalsContact O-CD2 3.3Å; A60-Y72 WeakPolarHBondContact O-CD2 3.39Å; Y72-Q74 PolarHBondContact O-N 2.64Å; Y72-C85 CarbonylContact C-O 3.55Å; Y72-C85 WeakPolarHBondContact CA-O 3.35Å; Y72-C85 VanDerWaalsContact CD1-SG 3.55Å; Y72-R87 HydrophobicContact CD1-CB 4.26Å; Y72-R87 HydrophobicContact CE1-CB 4.04Å; Y72-R87 HydrophobicContact CE2-CB 4.5Å; Y72-S93 VanDerWaalsContact CE1-OG 3.3Å; Y72-S93 WeakPolarHBondContact CE1-OG 3.48Å; Y72-S93 PolarHBondContact OH-OG 3.34Å
73G92.2Very high90.3Very high51 Ų5158.6 Ų58.653%0.52637%0.374SS..THydrogen-bonded Turntrans79.8-16.7-17600000114.6L71 C85L71-G73 PolarHBondContact O-N 3.42Å; G73-C85 PolarHBondContact N-O 3.38Å
74Q94.3Very high90.6Very high93 Ų9360.8 Ų60.844%0.43538%0.38SS..  trans-75.7146.9176.8-68.6-177.5-22.100111.4V70 L71 Y72 R84 C85V70-Q74 HydrophobicContact CG1-CB 3.54Å; L71-Q74 HydrophobicContact CB-CG 4.02Å; L71-Q74 VanDerWaalsContact O-CB 3.32Å; L71-Q74 WeakPolarHBondContact O-CB 3.49Å; L71-Q74 PolarHBondContact O-N 3.13Å; Y72-Q74 PolarHBondContact O-N 2.64Å; Q74-R84 WeakPolarHBondContact O-CA 3.25Å; Q74-C85 PolarHBondContact O-N 3.46Å
75T95.4Very high91Very high85 Ų8558.9 Ų58.952%0.52137%0.369SS..EExtended strand (participates in β ladder)trans-107148.6175.355.20000111.5V82 Y83 R84 V98T75-V82 HydrophobicContact CG2-CG1 4.42Å; T75-Y83 CarbonylContact C-O 3.5Å; T75-Y83 WeakPolarHBondContact CA-O 3.17Å; T75-Y83 WeakPolarHBondContact CB-O 3.2Å; T75-R84 HydrophobicContact CG2-CB 3.97Å; T75-R84 HydrophobicContact CG2-CG 3.96Å; T75-V98 HydrophobicContact CG2-CG2 4.3Å
76F94.4Very high91.5Very high40 Ų4057.5 Ų57.518%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-141.8152.4173.667.1-80.6000109.9V64 V70 A78 Y83 I95V64-F76 HydrophobicContact CB-CD2 4.41Å; V64-F76 HydrophobicContact CB-CE2 3.92Å; V64-F76 HydrophobicContact CB-CZ 3.96Å; V64-F76 HydrophobicContact CG1-CD1 3.98Å; V64-F76 HydrophobicContact CG1-CD2 4.21Å; V64-F76 HydrophobicContact CG1-CE1 3.44Å; V64-F76 VanDerWaalsContact CG1-CE1 3.44Å; V64-F76 HydrophobicContact CG1-CE2 3.71Å; V64-F76 HydrophobicContact CG1-CG 4.33Å; V64-F76 HydrophobicContact CG1-CZ 3.27Å; V70-F76 HydrophobicContact CB-CD1 4.38Å; V70-F76 HydrophobicContact CG1-CD1 4.06Å; V70-F76 HydrophobicContact CG2-CB 4.37Å; V70-F76 HydrophobicContact CG2-CD1 3.99Å; V70-F76 HydrophobicContact CG2-CG 4.24Å; F76-A78 HydrophobicContact CD2-CB 4.32Å; F76-A78 HydrophobicContact CE2-CB 4.13Å; F76-Y83 HydrophobicContact CE2-CD2 4.04Å; F76-Y83 HydrophobicContact CE2-CG 4.29Å; F76-Y83 HydrophobicContact CZ-CD2 4.25Å; F76-Y83 HydrophobicContact CZ-CG 4.03Å; F76-Y83 PolarHBondContact N-O 2.85Å; F76-Y83 PolarHBondContact O-N 2.85Å; F76-I95 HydrophobicContact CE1-CG2 4.15Å; F76-I95 HydrophobicContact CZ-CD1 4.45Å; F76-I95 HydrophobicContact CZ-CG2 3.73Å
77K93.6Very high92Very high111 Ų11158.8 Ų58.848%0.48334%0.344SS..EExtended strand (participates in β ladder)trans-99.9130179.6-179.1172.6173.6170.60109.9V101K77-V101 HydrophobicContact CD-CG2 4.27Å; K77-V101 HydrophobicContact CG-CG2 4.33Å
78A91Very high92.3Very high45 Ų4556.1 Ų56.137%0.37232%0.317SS..EExtended strand (participates in β ladder)trans-141.3113.5174.700000109.9F76 D80 F81 Y83F76-A78 HydrophobicContact CD2-CB 4.32Å; F76-A78 HydrophobicContact CE2-CB 4.13Å; A78-D80 PolarHBondContact O-N 3.26Å; A78-F81 PolarHBondContact N-O 2.9Å; A78-F81 PolarHBondContact O-N 2.93Å; A78-Y83 HydrophobicContact CB-CD2 4.06Å; A78-Y83 HydrophobicContact CB-CE2 3.86Å
79G89.6Confident92.4Very high62 Ų6255.5 Ų55.564%0.63931%0.313SS*.THydrogen-bonded Turntrans60.1-126.5-174.800000112.1F81G79-F81 VanDerWaalsContact C-N 3.31Å; G79-F81 PolarHBondContact O-N 2.89Å
80D93.6Very high92.2Very high88 Ų8860 Ų6047%0.47133%0.325SS..THydrogen-bonded Turntrans-90.516.8-174.5-56.8-50.7000114Y36 A78 V101Y36-D80 HydrophobicContact CD2-CB 3.79Å; Y36-D80 HydrophobicContact CE2-CB 3.4Å; Y36-D80 VanDerWaalsContact CE2-CB 3.4Å; A78-D80 PolarHBondContact O-N 3.26Å; D80-V101 PolarHBondContact O-N 3.09Å
81F95.8Very high91.9Very high10 Ų1066.7 Ų66.74%0.04435%0.35CS..EExtended strand (participates in β ladder)trans-141153.4-178.2-64.9-85000112.8Y36 A38 A78 G79 Y83 A99 L129Y36-F81 HydrophobicContact CD2-CE1 4.4Å; Y36-F81 AromaticContact CD2-CE2 3.62Å; Y36-F81 HydrophobicContact CD2-CE2 3.62Å; Y36-F81 AromaticContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CD2-CZ 3.48Å; Y36-F81 VanDerWaalsContact CD2-CZ 3.48Å; Y36-F81 HydrophobicContact CE2-CE2 4.21Å; Y36-F81 HydrophobicContact CE2-CZ 4.01Å; A38-F81 HydrophobicContact CB-CD1 3.89Å; A38-F81 HydrophobicContact CB-CD2 3.64Å; A38-F81 HydrophobicContact CB-CE1 3.9Å; A38-F81 HydrophobicContact CB-CE2 3.64Å; A38-F81 HydrophobicContact CB-CG 3.76Å; A38-F81 HydrophobicContact CB-CZ 3.77Å; A78-F81 PolarHBondContact N-O 2.9Å; A78-F81 PolarHBondContact O-N 2.93Å; G79-F81 VanDerWaalsContact C-N 3.31Å; G79-F81 PolarHBondContact O-N 2.89Å; F81-Y83 HydrophobicContact CB-CD2 4.27Å; F81-Y83 HydrophobicContact CB-CE1 4.4Å; F81-Y83 HydrophobicContact CB-CE2 3.56Å; F81-A99 WeakPolarHBondContact CA-O 3.44Å; F81-L129 HydrophobicContact CD1-CD2 4.14Å; F81-L129 HydrophobicContact CE1-CB 4.41Å; F81-L129 HydrophobicContact CE1-CD2 4.47Å; F81-L129 HydrophobicContact CE1-CG 4.37Å; F81-L129 WeakPolarHBondContact CE1-O 3.04Å
82V96.6Very high91.8Very high7 Ų767.2 Ų67.24%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-101.7132.1163-174.60000107.7T75 V98 A99 V101 E106T75-V82 HydrophobicContact CG2-CG1 4.42Å; V82-V98 HydrophobicContact CB-CG2 4.32Å; V82-V98 HydrophobicContact CG1-CG2 4.07Å; V82-V98 WeakPolarHBondContact O-CG2 3.41Å; V82-V98 PolarHBondContact O-N 3.21Å; V82-A99 HydrophobicContact CB-CB 3.95Å; V82-A99 HydrophobicContact CG2-CB 4.09Å; V82-A99 PolarHBondContact N-O 2.85Å; V82-A99 PolarHBondContact O-N 3.32Å; V82-V101 HydrophobicContact CG2-CG2 3.86Å; V82-E106 HydrophobicContact CG2-CG 3.87Å
83Y95.9Very high91.7Very high34 Ų3464.3 Ų64.313%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-114.2152.4179.3-61.8-89.7000110.1A38 T75 F76 A78 F81 I95 V96 P97A38-Y83 HydrophobicContact CB-CE1 4.12Å; A38-Y83 WeakPolarHBondContact CB-OH 3.48Å; T75-Y83 CarbonylContact C-O 3.5Å; T75-Y83 WeakPolarHBondContact CA-O 3.17Å; T75-Y83 WeakPolarHBondContact CB-O 3.2Å; F76-Y83 HydrophobicContact CE2-CD2 4.04Å; F76-Y83 HydrophobicContact CE2-CG 4.29Å; F76-Y83 HydrophobicContact CZ-CD2 4.25Å; F76-Y83 HydrophobicContact CZ-CG 4.03Å; F76-Y83 PolarHBondContact N-O 2.85Å; F76-Y83 PolarHBondContact O-N 2.85Å; A78-Y83 HydrophobicContact CB-CD2 4.06Å; A78-Y83 HydrophobicContact CB-CE2 3.86Å; F81-Y83 HydrophobicContact CB-CD2 4.27Å; F81-Y83 HydrophobicContact CB-CE1 4.4Å; F81-Y83 HydrophobicContact CB-CE2 3.56Å; Y83-I95 HydrophobicContact CD1-CG2 3.6Å; Y83-I95 HydrophobicContact CE1-CG2 4.44Å; Y83-I95 HydrophobicContact CG-CG2 3.88Å; Y83-V96 CarbonylContact C-O 3.59Å; Y83-V96 VanDerWaalsContact CA-O 3.26Å; Y83-V96 WeakPolarHBondContact CA-O 3.34Å; Y83-P97 HydrophobicContact CD1-CB 3.92Å; Y83-P97 HydrophobicContact CE1-CB 3.8Å; Y83-P97 HydrophobicContact CE1-CG 4.48Å
84R95.7Very high91.7Very high98 Ų9864.8 Ų64.837%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-118.4138.7169.6-166.1173.264.1-156.6-5.3109.6Q74 T75 D86 V96 V98Q74-R84 WeakPolarHBondContact O-CA 3.25Å; T75-R84 HydrophobicContact CG2-CB 3.97Å; T75-R84 HydrophobicContact CG2-CG 3.96Å; R84-D86 WeakPolarHBondContact CG-OD1 3.44Å; R84-D86 IonicContact CZ-OD1 3.64Å; R84-D86 IonicContact CZ-OD2 2.88Å; R84-D86 IonicContact NE-OD1 3.85Å; R84-D86 PolarHBondContact NE-OD1 3.31Å; R84-D86 IonicContact NE-OD2 3.6Å; R84-D86 PolarHBondContact NE-OD2 2.92Å; R84-D86 IonicContact NH2-OD1 2.77Å; R84-D86 IonicContact NH2-OD2 3.35Å; R84-D86 PolarHBondContact NH2-OD2 2.94Å; R84-V96 PolarHBondContact N-O 2.85Å; R84-V96 PolarHBondContact O-N 2.82Å; R84-V98 HydrophobicContact CB-CG1 3.7Å; R84-V98 HydrophobicContact CB-CG2 4.21Å
85C94.6Very high91.7Very high0 Ų061.1 Ų61.10%031%0.311CS..EExtended strand (participates in β ladder)trans-83.5114.1170.2-178.20000110G61 C62 V70 Y72 G73 Q74G61-C85 VanDerWaalsContact C-SG 3.55Å; C62-C85 HydrophobicContact CB-CB 3.75Å; C62-C85 WeakPolarHBondContact CB-SG 3.49Å; C62-C85 PolarHBondContact N-SG 2.81Å; C62-C85 WeakPolarHBondContact SG-CA 3.39Å; C62-C85 WeakPolarHBondContact SG-CB 3.49Å; C62-C85 CovalentContact SG-SG 2.04Å; C62-C85 PolarHBondContact SG-SG 2.81Å; V70-C85 HydrophobicContact CG1-CB 4.12Å; Y72-C85 CarbonylContact C-O 3.55Å; Y72-C85 WeakPolarHBondContact CA-O 3.35Å; Y72-C85 VanDerWaalsContact CD1-SG 3.55Å; G73-C85 PolarHBondContact N-O 3.38Å; Q74-C85 PolarHBondContact O-N 3.46Å
86D94Very high91.6Very high37 Ų3758.4 Ų58.420%0.19829%0.294CS..EExtended strand (participates in β ladder)trans-114.9152.3178.8-70.8-12000110R84 K94 V96R84-D86 WeakPolarHBondContact CG-OD1 3.44Å; R84-D86 IonicContact CZ-OD1 3.64Å; R84-D86 IonicContact CZ-OD2 2.88Å; R84-D86 IonicContact NE-OD1 3.85Å; R84-D86 PolarHBondContact NE-OD1 3.31Å; R84-D86 IonicContact NE-OD2 3.6Å; R84-D86 PolarHBondContact NE-OD2 2.92Å; R84-D86 IonicContact NH2-OD1 2.77Å; R84-D86 IonicContact NH2-OD2 3.35Å; R84-D86 PolarHBondContact NH2-OD2 2.94Å; D86-K94 HydrophobicContact CB-CB 4.37Å; D86-K94 PolarHBondContact N-O 3.05Å; D86-K94 PolarHBondContact O-N 2.77Å; D86-V96 HydrophobicContact CB-CG2 4.16Å
87R91.3Very high91.6Very high153 Ų15356.6 Ų56.658%0.57729%0.286SS*.EExtended strand (participates in β ladder)trans-76.1126.3170.5-179174.1-98.7-179.1-8.1109E45 Y72 T89E45-R87 IonicContact OE1-NH2 3.57Å; Y72-R87 HydrophobicContact CD1-CB 4.26Å; Y72-R87 HydrophobicContact CE1-CB 4.04Å; Y72-R87 HydrophobicContact CE2-CB 4.5Å; R87-T89 WeakPolarHBondContact CG-O 3.3Å
88G87Confident91.8Very high22 Ų2252.8 Ų52.823%0.22727%0.273CS..  trans-90-60.617900000113M92G88-M92 VanDerWaalsContact CA-O 3.24Å; G88-M92 WeakPolarHBondContact CA-O 3.33Å; G88-M92 PolarHBondContact N-O 3.19Å
89T86.7Confident92.1Very high63 Ų6350.8 Ų50.839%0.38726%0.256SS..SBendtrans-137.7-171.5172.564.80000108.6R87 Y91 M92R87-T89 WeakPolarHBondContact CG-O 3.3Å; T89-Y91 PolarHBondContact O-N 3.28Å; T89-Y91 PolarHBondContact OG1-N 2.79Å; T89-M92 HydrophobicContact CG2-CE 3.47Å; T89-M92 VanDerWaalsContact CG2-CE 3.47Å; T89-M92 PolarHBondContact N-O 3.05Å; T89-M92 WeakPolarHBondContact OG1-CB 3.43Å; T89-M92 WeakPolarHBondContact OG1-CE 3.24Å; T89-M92 WeakPolarHBondContact OG1-CG 3.03Å; T89-M92 PolarHBondContact OG1-N 2.87Å
90E82.1Confident92.4Very high130 Ų13047.8 Ų47.861%0.60723%0.225SC*.SBendtrans-61.8-22.3175.2-166-173.9147.900113.7
91Y83.9Confident92.5Very high154 Ų15444 Ų4460%0.60421%0.205SC*.SBendtrans-124.75-176.4-49.4-62.1000113.2E45 T89E45-Y91 WeakPolarHBondContact CB-O 3.41Å; E45-Y91 PolarHBondContact N-O 2.9Å; T89-Y91 PolarHBondContact O-N 3.28Å; T89-Y91 PolarHBondContact OG1-N 2.79Å
92M87.7Confident92.5Very high68 Ų6844.5 Ų44.534%0.33521%0.207SC..EExtended strand (participates in β ladder)trans-132.6136.5-176-61.2-170.2-69.300111.6I43 G88 T89I43-M92 WeakPolarHBondContact O-CA 3.26Å; G88-M92 VanDerWaalsContact CA-O 3.24Å; G88-M92 WeakPolarHBondContact CA-O 3.33Å; G88-M92 PolarHBondContact N-O 3.19Å; T89-M92 HydrophobicContact CG2-CE 3.47Å; T89-M92 VanDerWaalsContact CG2-CE 3.47Å; T89-M92 PolarHBondContact N-O 3.05Å; T89-M92 WeakPolarHBondContact OG1-CB 3.43Å; T89-M92 WeakPolarHBondContact OG1-CE 3.24Å; T89-M92 WeakPolarHBondContact OG1-CG 3.03Å; T89-M92 PolarHBondContact OG1-N 2.87Å
93S91.2Very high92.2Very high0 Ų051.3 Ų51.30%024%0.236CC..EExtended strand (participates in β ladder)trans-103151.2170.7-620000110.2I43 G61 Y72I43-S93 PolarHBondContact N-O 3.22Å; I43-S93 PolarHBondContact O-N 2.03Å; I43-S93 VanDerWaalsContact O-O 3.12Å; G61-S93 WeakPolarHBondContact O-CB 3.01Å; G61-S93 PolarHBondContact O-OG 2.79Å; Y72-S93 VanDerWaalsContact CE1-OG 3.3Å; Y72-S93 WeakPolarHBondContact CE1-OG 3.48Å; Y72-S93 PolarHBondContact OH-OG 3.34Å
94K92.4Very high91.9Very high61 Ų6152.5 Ų52.527%0.26526%0.259SS..EExtended strand (participates in β ladder)trans-118.5127.8178.6-70.6-178.3177.3-1790109.6V40 R41 E42 D86 V96V40-K94 HydrophobicContact CG1-CB 4.44Å; R41-K94 WeakPolarHBondContact O-CA 3.24Å; E42-K94 HydrophobicContact CG-CG 4.24Å; E42-K94 WeakPolarHBondContact OE1-CE 2.99Å; E42-K94 IonicContact OE1-NZ 2.73Å; E42-K94 PolarHBondContact OE1-NZ 3.36Å; D86-K94 HydrophobicContact CB-CB 4.37Å; D86-K94 PolarHBondContact N-O 3.05Å; D86-K94 PolarHBondContact O-N 2.77Å; K94-V96 HydrophobicContact CB-CG2 3.96Å
95I92.4Very high91.9Very high16 Ų1656 Ų568%0.08227%0.272CS..EExtended strand (participates in β ladder)trans-96.1107.2167.3-63.4176000106.6V40 R41 I43 C62 V64 F76 Y83V40-I95 WeakPolarHBondContact CA-O 3.43Å; R41-I95 HydrophobicContact CB-CB 4.4Å; R41-I95 PolarHBondContact N-O 2.89Å; R41-I95 PolarHBondContact O-N 3.44Å; I43-I95 HydrophobicContact CD1-CD1 3.93Å; I43-I95 HydrophobicContact CD1-CG1 4.34Å; C62-I95 HydrophobicContact CB-CD1 4.17Å; C62-I95 HydrophobicContact CB-CG1 3.84Å; V64-I95 HydrophobicContact CG1-CD1 4.28Å; F76-I95 HydrophobicContact CE1-CG2 4.15Å; F76-I95 HydrophobicContact CZ-CD1 4.45Å; F76-I95 HydrophobicContact CZ-CG2 3.73Å; Y83-I95 HydrophobicContact CD1-CG2 3.6Å; Y83-I95 HydrophobicContact CE1-CG2 4.44Å; Y83-I95 HydrophobicContact CG-CG2 3.88Å
96V94Very high91.9Very high27 Ų2761.5 Ų61.516%0.16430%0.298CS..EExtended strand (participates in β ladder)trans-106121.3-173.2-178.20000109V40 Y83 R84 D86 K94 V98V40-V96 HydrophobicContact CG1-CG2 4.17Å; V40-V96 HydrophobicContact CG2-CG1 4.23Å; V40-V96 HydrophobicContact CG2-CG2 4.48Å; Y83-V96 CarbonylContact C-O 3.59Å; Y83-V96 VanDerWaalsContact CA-O 3.26Å; Y83-V96 WeakPolarHBondContact CA-O 3.34Å; R84-V96 PolarHBondContact N-O 2.85Å; R84-V96 PolarHBondContact O-N 2.82Å; D86-V96 HydrophobicContact CB-CG2 4.16Å; K94-V96 HydrophobicContact CB-CG2 3.96Å; V96-V98 HydrophobicContact CG1-CG1 4.26Å; V96-V98 PolarHBondContact O-N 2.86Å
97P95.6Very high92.1Very high2 Ų260.4 Ų60.41%0.01329%0.292CS..EExtended strand (participates in β ladder)trans-67.4126.2170.428.5-32.7000109.3A38 Y83 L129A38-P97 HydrophobicContact CB-CB 3.89Å; A38-P97 HydrophobicContact CB-CG 4.09Å; Y83-P97 HydrophobicContact CD1-CB 3.92Å; Y83-P97 HydrophobicContact CE1-CB 3.8Å; Y83-P97 HydrophobicContact CE1-CG 4.48Å; P97-L129 HydrophobicContact CB-CB 3.82Å; P97-L129 HydrophobicContact CB-CD2 4Å; P97-L129 HydrophobicContact CG-CB 3.84Å
98V96.4Very high92.4Very high32 Ų3258.1 Ų58.119%0.19429%0.291CS..EExtended strand (participates in β ladder)trans-118.7-20.4-174.7-66.90000113.9T75 V82 R84 V96 P109T75-V98 HydrophobicContact CG2-CG2 4.3Å; V82-V98 HydrophobicContact CB-CG2 4.32Å; V82-V98 HydrophobicContact CG1-CG2 4.07Å; V82-V98 WeakPolarHBondContact O-CG2 3.41Å; V82-V98 PolarHBondContact O-N 3.21Å; R84-V98 HydrophobicContact CB-CG1 3.7Å; R84-V98 HydrophobicContact CB-CG2 4.21Å; V96-V98 HydrophobicContact CG1-CG1 4.26Å; V96-V98 PolarHBondContact O-N 2.86Å; V98-P109 WeakPolarHBondContact O-CD 3.5Å
99A97.4Very high92.8Very high2 Ų259.5 Ų59.52%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-147.1150.9173.600000111F81 V82 L107 L108F81-A99 WeakPolarHBondContact CA-O 3.44Å; V82-A99 HydrophobicContact CB-CB 3.95Å; V82-A99 HydrophobicContact CG2-CB 4.09Å; V82-A99 PolarHBondContact N-O 2.85Å; V82-A99 PolarHBondContact O-N 3.32Å; A99-L107 WeakPolarHBondContact CA-O 3.37Å; A99-L107 WeakPolarHBondContact CB-O 3.49Å; A99-L108 HydrophobicContact CB-CD2 4.24Å
100C97.2Very high93.1Very high0 Ų067.1 Ų67.10%032%0.317CS..EExtended strand (participates in β ladder)trans-88.2146.4169.3-53.30000109E106 L107 C122 F131C100-E106 CarbonylContact O-C 3.46Å; C100-E106 WeakPolarHBondContact O-CA 2.96Å; C100-L107 HydrophobicContact CB-CB 4.42Å; C100-L107 PolarHBondContact N-O 2.9Å; C100-L107 PolarHBondContact O-N 3.39Å; C100-C122 HydrophobicContact CB-CB 3.67Å; C100-C122 WeakPolarHBondContact CB-SG 3.29Å; C100-C122 PolarHBondContact N-SG 2.99Å; C100-C122 VanDerWaalsContact SG-CA 3.53Å; C100-C122 WeakPolarHBondContact SG-CB 3.4Å; C100-C122 CovalentContact SG-SG 2.04Å; C100-C122 PolarHBondContact SG-SG 2.7Å; C100-F131 HydrophobicContact CB-CB 4.18Å; C100-F131 HydrophobicContact CB-CD2 3.96Å; C100-F131 HydrophobicContact CB-CG 4.5Å
101V95.5Very high93.8Very high7 Ų764 Ų644%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-109.4126.4172.2-178.30000108.2Y36 K77 D80 V82 R105 E106Y36-V101 PolarHBondContact OH-O 2.95Å; K77-V101 HydrophobicContact CD-CG2 4.27Å; K77-V101 HydrophobicContact CG-CG2 4.33Å; D80-V101 PolarHBondContact O-N 3.09Å; V82-V101 HydrophobicContact CG2-CG2 3.86Å; V101-R105 CarbonylContact C-O 3.6Å; V101-R105 WeakPolarHBondContact CA-O 3.22Å; V101-E106 HydrophobicContact CG2-CG 4.35Å
102F94.4Very high94.4Very high22 Ų2263.8 Ų63.810%0.09630%0.303CS..EExtended strand (participates in β ladder)trans-136.7120175.1-174.6-109.3000111Y34 G104 R105 L107 V113 H115 F131Y34-F102 HydrophobicContact CD2-CE2 4.09Å; Y34-F102 HydrophobicContact CD2-CZ 4.35Å; Y34-F102 HydrophobicContact CE2-CE2 4.44Å; Y34-F102 HydrophobicContact CE2-CZ 4.48Å; F102-G104 PolarHBondContact O-N 2.61Å; F102-R105 PolarHBondContact N-O 3.43Å; F102-R105 PolarHBondContact O-N 2.8Å; F102-L107 HydrophobicContact CB-CD1 4.07Å; F102-V113 HydrophobicContact CD1-CG1 3.97Å; F102-H115 HydrophobicContact CE1-CB 3.67Å; F102-H115 AromaticContact CE1-CD2 3.97Å; F102-H115 AromaticContact CE1-CG 3.67Å; F102-H115 HydrophobicContact CZ-CB 4Å; F102-H115 AromaticContact CZ-CD2 3.5Å; F102-H115 VanDerWaalsContact CZ-CD2 3.5Å; F102-H115 WeakPolarHBondContact CZ-CD2 3.31Å; F102-H115 AromaticContact CZ-CG 3.7Å; F102-F131 HydrophobicContact CB-CD2 4.48Å; F102-F131 HydrophobicContact CB-CE2 3.67Å; F102-F131 HydrophobicContact CB-CZ 3.7Å; F102-F131 HydrophobicContact CD1-CE2 4.49Å; F102-F131 AromaticContact CD1-CZ 3.92Å; F102-F131 HydrophobicContact CD1-CZ 3.92Å; F102-F131 AromaticContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE2 4.14Å; F102-F131 AromaticContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CE1-CZ 4.38Å; F102-F131 AromaticContact CE2-CE1 3.88Å; F102-F131 HydrophobicContact CE2-CE1 3.88Å; F102-F131 AromaticContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CG-CE1 4.1Å; F102-F131 AromaticContact CG-CE2 3.85Å; F102-F131 HydrophobicContact CG-CE2 3.85Å; F102-F131 AromaticContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CZ-CZ 4.33Å
103K90.2Very high94.7Very high149 Ų14961.5 Ų61.565%0.64829%0.292SS*.THydrogen-bonded Turntrans49.243.3-176.5-63.1-167.5172.4-149.50113.4R105 H115K103-R105 PolarHBondContact O-N 2.91Å; K103-H115 WeakPolarHBondContact CE-CE1 3.34Å; K103-H115 WeakPolarHBondContact CE-NE2 3.34Å; K103-H115 PolarHBondContact NZ-CE1 2.84Å; K103-H115 PolarHBondContact NZ-NE2 3.24Å
104G90.8Very high94.9Very high59 Ų5965.5 Ų65.561%0.60832%0.318SS*.THydrogen-bonded Turntrans79.6-6.3179.700000115.3F102F102-G104 PolarHBondContact O-N 2.61Å
105R94.3Very high95Very high173 Ų17365.1 Ų65.165%0.65332%0.317SS*.EExtended strand (participates in β ladder)trans-93.6137.5175.4-63.2-176176.4-174-2.4110.9V101 F102 K103V101-R105 CarbonylContact C-O 3.6Å; V101-R105 WeakPolarHBondContact CA-O 3.22Å; F102-R105 PolarHBondContact N-O 3.43Å; F102-R105 PolarHBondContact O-N 2.8Å; K103-R105 PolarHBondContact O-N 2.91Å
106E96.5Very high94.9Very high114 Ų11467 Ų6753%0.53334%0.342SS..EExtended strand (participates in β ladder)trans-87.1135.5172.2-63.7179.2-173.700109.4V82 C100 V101V82-E106 HydrophobicContact CG2-CG 3.87Å; C100-E106 CarbonylContact O-C 3.46Å; C100-E106 WeakPolarHBondContact O-CA 2.96Å; V101-E106 HydrophobicContact CG2-CG 4.35Å
107L97.2Very high94.9Very high14 Ų1469.5 Ų69.57%0.07335%0.349CS..EExtended strand (participates in β ladder)trans-124.5115.2-178.5-60.4173.6000107.5A99 C100 F102 D111 V113 C122 F131A99-L107 WeakPolarHBondContact CA-O 3.37Å; A99-L107 WeakPolarHBondContact CB-O 3.49Å; C100-L107 HydrophobicContact CB-CB 4.42Å; C100-L107 PolarHBondContact N-O 2.9Å; C100-L107 PolarHBondContact O-N 3.39Å; F102-L107 HydrophobicContact CB-CD1 4.07Å; L107-D111 HydrophobicContact CB-CB 4.02Å; L107-D111 HydrophobicContact CD2-CB 4.12Å; L107-V113 HydrophobicContact CD1-CB 4.5Å; L107-V113 HydrophobicContact CD1-CG1 3.73Å; L107-V113 HydrophobicContact CD2-CB 4.35Å; L107-V113 HydrophobicContact CD2-CG1 4.43Å; L107-C122 HydrophobicContact CB-CB 3.93Å; L107-C122 PolarHBondContact O-SG 2.99Å; L107-C122 VanDerWaalsContact O-SG 3.38Å; L107-F131 HydrophobicContact CD1-CD2 4.18Å; L107-F131 HydrophobicContact CD1-CE2 3.63Å
108L96.9Very high94.9Very high106 Ų10669.6 Ų69.656%0.55535%0.349SS*.  trans-69.7161.3172.9-62.5178.2000110A99 R110 D111A99-L108 HydrophobicContact CB-CD2 4.24Å; L108-R110 PolarHBondContact O-N 3.36Å; L108-D111 WeakPolarHBondContact CB-OD2 3.31Å; L108-D111 PolarHBondContact N-OD2 2.04Å; L108-D111 WeakPolarHBondContact O-CB 3.34Å; L108-D111 PolarHBondContact O-N 3.01Å
109P95.5Very high94.9Very high51 Ų5168.9 Ų68.933%0.33134%0.343SS..THydrogen-bonded Turntrans-53.4131.5174.1-25.634.9000110.9V98 D111 C122 L129V98-P109 WeakPolarHBondContact O-CD 3.5Å; P109-D111 VanDerWaalsContact C-N 3.31Å; P109-C122 CarbonylContact C-O 3.56Å; P109-C122 WeakPolarHBondContact CA-O 3.37Å; P109-L129 HydrophobicContact CG-CD1 4.05Å
110R93.6Very high94.8Very high223 Ų22369 Ų6984%0.84234%0.343SS*.THydrogen-bonded Turntrans80.5-9.7-173-50.8172.5176.5-177.6-0.9115.8L108 C122L108-R110 PolarHBondContact O-N 3.36Å; R110-C122 PolarHBondContact N-O 2.96Å
111D96.8Very high94.7Very high64 Ų6469.3 Ų69.334%0.34235%0.346SS..  trans-63.8144.4172.5-72.3-11.4000110.5L107 L108 P109 S121 C122L107-D111 HydrophobicContact CB-CB 4.02Å; L107-D111 HydrophobicContact CD2-CB 4.12Å; L108-D111 WeakPolarHBondContact CB-OD2 3.31Å; L108-D111 PolarHBondContact N-OD2 2.04Å; L108-D111 WeakPolarHBondContact O-CB 3.34Å; L108-D111 PolarHBondContact O-N 3.01Å; P109-D111 VanDerWaalsContact C-N 3.31Å; D111-S121 WeakPolarHBondContact O-CA 3.12Å; D111-C122 PolarHBondContact O-N 3Å; D111-C122 VanDerWaalsContact O-N 3.17Å
112R95.6Very high94.8Very high149 Ų14969 Ų6956%0.56234%0.344SS*.EExtended strand (participates in β ladder)trans-127.9143.3-178.4-65-173.8177-179.73.2111.4M119 Y120R112-M119 HydrophobicContact CB-CG 4.22Å; R112-M119 HydrophobicContact CB-SD 3.78Å; R112-Y120 CarbonylContact C-O 3.57Å; R112-Y120 WeakPolarHBondContact CA-O 3.1Å
113V95.6Very high94.8Very high20 Ų2069.7 Ų69.712%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-139.1128.3177.766.20000111.3F102 L107 Y120F102-V113 HydrophobicContact CD1-CG1 3.97Å; L107-V113 HydrophobicContact CD1-CB 4.5Å; L107-V113 HydrophobicContact CD1-CG1 3.73Å; L107-V113 HydrophobicContact CD2-CB 4.35Å; L107-V113 HydrophobicContact CD2-CG1 4.43Å; V113-Y120 PolarHBondContact N-O 2.84Å; V113-Y120 PolarHBondContact O-N 3.45Å
114P95.5Very high95Very high84 Ų8466.7 Ų66.755%0.54534%0.338SS..EExtended strand (participates in β ladder)trans-73.7130.3173.228.6-32.1000109.9M119 L137P114-M119 HydrophobicContact CB-CE 3.77Å; P114-M119 HydrophobicContact CB-SD 4.42Å; P114-M119 HydrophobicContact CG-CE 4.3Å; P114-L137 HydrophobicContact CB-CD1 3.82Å
115H93.4Very high95Very high53 Ų5367.8 Ų67.825%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-146.4119.7170.3-173.655.8000112.5F102 K103 Y117 F118 Y120F102-H115 HydrophobicContact CE1-CB 3.67Å; F102-H115 AromaticContact CE1-CD2 3.97Å; F102-H115 AromaticContact CE1-CG 3.67Å; F102-H115 HydrophobicContact CZ-CB 4Å; F102-H115 AromaticContact CZ-CD2 3.5Å; F102-H115 VanDerWaalsContact CZ-CD2 3.5Å; F102-H115 WeakPolarHBondContact CZ-CD2 3.31Å; F102-H115 AromaticContact CZ-CG 3.7Å; K103-H115 WeakPolarHBondContact CE-CE1 3.34Å; K103-H115 WeakPolarHBondContact CE-NE2 3.34Å; K103-H115 PolarHBondContact NZ-CE1 2.84Å; K103-H115 PolarHBondContact NZ-NE2 3.24Å; H115-Y117 PolarHBondContact O-N 3.09Å; H115-Y117 VanDerWaalsContact O-N 3.13Å; H115-F118 PolarHBondContact N-O 3.45Å; H115-F118 PolarHBondContact O-N 3.25Å; H115-Y120 HydrophobicContact CB-CD2 3.9Å; H115-Y120 HydrophobicContact CB-CE2 3.92Å
116G90.8Very high94.7Very high57 Ų5767.1 Ų67.159%0.58834%0.335SS*.THydrogen-bonded Turntrans61.9-114.4-17700000110.8
117Y92.7Very high94.2Very high79 Ų7968.1 Ų68.131%0.3134%0.338SS..THydrogen-bonded Turntrans-10410.1-174.1-63.4-88.2000113.3K31 H115 L137 R152 Q168K31-Y117 HydrophobicContact CD-CD2 3.28Å; K31-Y117 HydrophobicContact CD-CE2 3.16Å; K31-Y117 HydrophobicContact CD-CG 4.06Å; K31-Y117 HydrophobicContact CG-CD2 4.47Å; K31-Y117 VanDerWaalsContact NZ-CZ 3.27Å; K31-Y117 PolarHBondContact NZ-OH 2.98Å; H115-Y117 PolarHBondContact O-N 3.09Å; H115-Y117 VanDerWaalsContact O-N 3.13Å; Y117-L137 PolarHBondContact O-N 2.71Å; Y117-R152 VanDerWaalsContact CD1-NH1 3.32Å; Y117-Q168 PolarHBondContact O-NE2 2.77Å
118F95.7Very high93.9Very high4 Ų469.8 Ų69.82%0.01835%0.347CS..EExtended strand (participates in β ladder)trans-138.7146.9-171.5-57-78.3000111.3K31 H115 Y120 A133 A135 L137 L166 Q168K31-F118 HydrophobicContact CB-CE2 4.46Å; K31-F118 WeakPolarHBondContact O-CZ 3.42Å; H115-F118 PolarHBondContact N-O 3.45Å; H115-F118 PolarHBondContact O-N 3.25Å; F118-Y120 HydrophobicContact CB-CD2 4.26Å; F118-Y120 HydrophobicContact CB-CE2 3.71Å; F118-A133 HydrophobicContact CB-CB 3.94Å; F118-A133 HydrophobicContact CD1-CB 4.09Å; F118-A133 HydrophobicContact CG-CB 4.18Å; F118-A135 CarbonylContact C-O 3.53Å; F118-A135 WeakPolarHBondContact CA-O 3.47Å; F118-L137 VanDerWaalsContact C-CD1 3.47Å; F118-L137 VanDerWaalsContact O-CD1 3.3Å; F118-L137 WeakPolarHBondContact O-CD1 3.38Å; F118-L166 HydrophobicContact CD1-CB 4.3Å; F118-L166 HydrophobicContact CD1-CD2 4.23Å; F118-L166 HydrophobicContact CD1-CG 4.46Å; F118-L166 HydrophobicContact CE1-CB 4.17Å; F118-L166 HydrophobicContact CE1-CG 4.34Å; F118-L166 WeakPolarHBondContact CE1-O 3.41Å; F118-L166 WeakPolarHBondContact CZ-O 3.12Å; F118-Q168 HydrophobicContact CE1-CG 3.95Å; F118-Q168 HydrophobicContact CZ-CG 4.1Å
119M96.4Very high93.8Very high16 Ų1664.7 Ų64.78%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-91.5115.4163.8-176.757.964.800107.3R112 P114 A133 A134 A135 L137 Q143R112-M119 HydrophobicContact CB-CG 4.22Å; R112-M119 HydrophobicContact CB-SD 3.78Å; P114-M119 HydrophobicContact CB-CE 3.77Å; P114-M119 HydrophobicContact CB-SD 4.42Å; P114-M119 HydrophobicContact CG-CE 4.3Å; M119-A133 CarbonylContact O-C 3.46Å; M119-A133 WeakPolarHBondContact O-CA 3.41Å; M119-A134 PolarHBondContact O-N 3.18Å; M119-A135 HydrophobicContact CB-CB 4.18Å; M119-A135 PolarHBondContact N-O 3.2Å; M119-A135 PolarHBondContact O-N 3.14Å; M119-L137 HydrophobicContact CB-CD2 4.12Å; M119-L137 HydrophobicContact CB-CG 4.41Å; M119-L137 HydrophobicContact CE-CD2 4.13Å; M119-Q143 HydrophobicContact CB-CG 4.41Å; M119-Q143 HydrophobicContact CE-CG 4.4Å
120Y96Very high93.8Very high4 Ų462.3 Ų62.32%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-90.8152.5176.2-69.3-86.4000110.9S33 Y34 R112 V113 H115 F118 F131 E132 A133S33-Y120 WeakPolarHBondContact CA-OH 3.4Å; Y34-Y120 HydrophobicContact CD2-CE1 4.21Å; Y34-Y120 HydrophobicContact CD2-CE2 4.42Å; Y34-Y120 AromaticContact CD2-CZ 3.75Å; Y34-Y120 VanDerWaalsContact CD2-OH 3.29Å; Y34-Y120 WeakPolarHBondContact CD2-OH 3.37Å; Y34-Y120 PolarHBondContact N-OH 2.93Å; R112-Y120 CarbonylContact C-O 3.57Å; R112-Y120 WeakPolarHBondContact CA-O 3.1Å; V113-Y120 PolarHBondContact N-O 2.84Å; V113-Y120 PolarHBondContact O-N 3.45Å; H115-Y120 HydrophobicContact CB-CD2 3.9Å; H115-Y120 HydrophobicContact CB-CE2 3.92Å; F118-Y120 HydrophobicContact CB-CD2 4.26Å; F118-Y120 HydrophobicContact CB-CE2 3.71Å; Y120-F131 HydrophobicContact CD1-CD1 4.13Å; Y120-F131 AromaticContact CD1-CE1 3.37Å; Y120-F131 HydrophobicContact CD1-CE1 3.37Å; Y120-F131 AromaticContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD2-CZ 4.38Å; Y120-F131 AromaticContact CE1-CE1 3.99Å; Y120-F131 HydrophobicContact CE1-CE1 3.99Å; Y120-F131 AromaticContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE2 4.35Å; Y120-F131 AromaticContact CG-CZ 3.53Å; Y120-F131 HydrophobicContact CG-CZ 3.53Å; Y120-E132 CarbonylContact C-O 3.49Å; Y120-E132 WeakPolarHBondContact CA-O 3.47Å; Y120-A133 HydrophobicContact CD1-CB 4.16Å; Y120-A133 HydrophobicContact CE1-CB 3.94Å
121S96.1Very high93.9Very high7 Ų751.7 Ų51.75%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-137.1140.6177.7-175.90000109.8D111 T123 E132D111-S121 WeakPolarHBondContact O-CA 3.12Å; S121-T123 PolarHBondContact OG-OG1 3.45Å; S121-E132 PolarHBondContact N-O 2.89Å; S121-E132 PolarHBondContact O-N 2.86Å; S121-E132 VanDerWaalsContact O-N 3.16Å
122C96.7Very high93.7Very high0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-88116.1162.5-168.50000108.3C100 L107 P109 R110 D111 V130C100-C122 HydrophobicContact CB-CB 3.67Å; C100-C122 WeakPolarHBondContact CB-SG 3.29Å; C100-C122 PolarHBondContact N-SG 2.99Å; C100-C122 VanDerWaalsContact SG-CA 3.53Å; C100-C122 WeakPolarHBondContact SG-CB 3.4Å; C100-C122 CovalentContact SG-SG 2.04Å; C100-C122 PolarHBondContact SG-SG 2.7Å; L107-C122 HydrophobicContact CB-CB 3.93Å; L107-C122 PolarHBondContact O-SG 2.99Å; L107-C122 VanDerWaalsContact O-SG 3.38Å; P109-C122 CarbonylContact C-O 3.56Å; P109-C122 WeakPolarHBondContact CA-O 3.37Å; R110-C122 PolarHBondContact N-O 2.96Å; D111-C122 PolarHBondContact O-N 3Å; D111-C122 VanDerWaalsContact O-N 3.17Å; C122-V130 CarbonylContact C-O 3.55Å
123T95.3Very high93.6Very high38 Ų3843 Ų4323%0.23323%0.229CC..EExtended strand (participates in β ladder)trans-125.9123.5-168.6-52.90000110.2S121 K125 V130S121-T123 PolarHBondContact OG-OG1 3.45Å; T123-K125 HydrophobicContact CG2-CG 4.11Å; T123-K125 PolarHBondContact O-N 2.87Å; T123-V130 PolarHBondContact N-O 2.86Å; T123-V130 PolarHBondContact O-N 2.73Å
124Q93.8Very high93.6Very high86 Ų8643.6 Ų43.640%0.40224%0.236SC..EExtended strand (participates in β ladder)trans-76.9119.8169.9-170.97036.300109.3N126 L128 L129Q124-N126 PolarHBondContact NE2-O 3.27Å; Q124-L128 PolarHBondContact NE2-O 2.95Å; Q124-L129 HydrophobicContact CB-CD1 4.45Å
125K90.2Very high93.6Very high82 Ų8239.9 Ų39.936%0.35721%0.213SC..EExtended strand (participates in β ladder)trans-124.2100.4174.2-65.9-174.3-173.5167.90109.2T123 K127 L128 V130 E132T123-K125 HydrophobicContact CG2-CG 4.11Å; T123-K125 PolarHBondContact O-N 2.87Å; K125-K127 PolarHBondContact O-N 3.29Å; K125-K127 VanDerWaalsContact O-N 3.17Å; K125-L128 PolarHBondContact N-O 3.4Å; K125-L128 WeakPolarHBondContact O-CA 3.49Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 2.9Å; K125-V130 HydrophobicContact CB-CG2 4.4Å; K125-V130 HydrophobicContact CD-CG2 4.15Å; K125-V130 HydrophobicContact CG-CG2 4.39Å; K125-E132 WeakPolarHBondContact CE-OE1 3.48Å; K125-E132 IonicContact NZ-OE1 3.46Å; K125-E132 PolarHBondContact NZ-OE1 2.83Å; K125-E132 IonicContact NZ-OE2 3.57Å; K125-E132 PolarHBondContact NZ-OE2 2.61Å
126N87.3Confident93.8Very high158 Ų15837.3 Ų37.385%0.84520%0.201SC*.THydrogen-bonded Turntrans53.2-119.1-175.3-57.9-23.1000111Q124 L128Q124-N126 PolarHBondContact NE2-O 3.27Å; N126-L128 VanDerWaalsContact C-N 3.31Å
127K86.9Confident94Very high135 Ų13535.1 Ų35.159%0.58718%0.176SC*.THydrogen-bonded Turntrans-84.61177.5-61.8-174.1179.2-175.50114.1V40 K125V40-K127 PolarHBondContact N-O 2.84Å; K125-K127 PolarHBondContact O-N 3.29Å; K125-K127 VanDerWaalsContact O-N 3.17Å
128L91.3Very high94Very high49 Ų4931.9 Ų31.926%0.25717%0.166SC..EExtended strand (participates in β ladder)trans-105139.4-178.6-56.5178.8000110.9Y37 A38 E39 Q124 K125 N126 V130Y37-L128 HydrophobicContact CD2-CD1 4.46Å; Y37-L128 HydrophobicContact CD2-CD2 4.04Å; A38-L128 WeakPolarHBondContact O-CA 3.36Å; E39-L128 HydrophobicContact CB-CD2 3.49Å; E39-L128 VanDerWaalsContact CB-CD2 3.49Å; E39-L128 HydrophobicContact CG-CD2 3.68Å; Q124-L128 PolarHBondContact NE2-O 2.95Å; K125-L128 PolarHBondContact N-O 3.4Å; K125-L128 WeakPolarHBondContact O-CA 3.49Å; K125-L128 WeakPolarHBondContact O-CB 3.49Å; K125-L128 PolarHBondContact O-N 2.9Å; N126-L128 VanDerWaalsContact C-N 3.31Å; L128-V130 HydrophobicContact CB-CG2 3.93Å
129L95.2Very high93.7Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-102.6122.8159.3-169.766000108.1Y37 A38 F81 P97 P109 Q124Y37-L129 WeakPolarHBondContact CA-O 3.07Å; A38-L129 PolarHBondContact N-O 3.14Å; A38-L129 PolarHBondContact O-N 2.05Å; F81-L129 HydrophobicContact CD1-CD2 4.14Å; F81-L129 HydrophobicContact CE1-CB 4.41Å; F81-L129 HydrophobicContact CE1-CD2 4.47Å; F81-L129 HydrophobicContact CE1-CG 4.37Å; F81-L129 WeakPolarHBondContact CE1-O 3.04Å; P97-L129 HydrophobicContact CB-CB 3.82Å; P97-L129 HydrophobicContact CB-CD2 4Å; P97-L129 HydrophobicContact CG-CB 3.84Å; P109-L129 HydrophobicContact CG-CD1 4.05Å; Q124-L129 HydrophobicContact CB-CD1 4.45Å
130V94.8Very high93.5Very high0 Ų046.7 Ų46.70%023%0.228CC..EExtended strand (participates in β ladder)trans-120.8129.3-170.3-175.40000109.9Y35 C122 T123 K125 L128 E132Y35-V130 HydrophobicContact CD2-CG1 4.16Å; Y35-V130 HydrophobicContact CE2-CG1 3.44Å; Y35-V130 VanDerWaalsContact CE2-CG1 3.44Å; C122-V130 CarbonylContact C-O 3.55Å; T123-V130 PolarHBondContact N-O 2.86Å; T123-V130 PolarHBondContact O-N 2.73Å; K125-V130 HydrophobicContact CB-CG2 4.4Å; K125-V130 HydrophobicContact CD-CG2 4.15Å; K125-V130 HydrophobicContact CG-CG2 4.39Å; L128-V130 HydrophobicContact CB-CG2 3.93Å; V130-E132 HydrophobicContact CG1-CB 4.09Å; V130-E132 HydrophobicContact CG1-CG 4.27Å
131F94.5Very high93.3Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-98.9115.4165.6-176.9-93.9000109.2Y35 Y36 C100 F102 L107 Y120Y35-F131 WeakPolarHBondContact CA-O 3.3Å; Y36-F131 HydrophobicContact CD1-CB 4.32Å; Y36-F131 AromaticContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CD1 3.87Å; Y36-F131 HydrophobicContact CD1-CG 4.49Å; Y36-F131 HydrophobicContact CD2-CB 3.74Å; Y36-F131 HydrophobicContact CE1-CB 3.97Å; Y36-F131 AromaticContact CE1-CD1 3.1Å; Y36-F131 HydrophobicContact CE1-CD1 3.1Å; Y36-F131 AromaticContact CE1-CE1 3.71Å; Y36-F131 HydrophobicContact CE1-CE1 3.71Å; Y36-F131 AromaticContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE1-CG 3.75Å; Y36-F131 HydrophobicContact CE2-CB 3.31Å; Y36-F131 HydrophobicContact CE2-CD1 4.02Å; Y36-F131 AromaticContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CE2-CG 3.77Å; Y36-F131 HydrophobicContact CG-CB 4.22Å; Y36-F131 VanDerWaalsContact CZ-CB 3.46Å; Y36-F131 AromaticContact CZ-CD1 3.2Å; Y36-F131 AromaticContact CZ-CE1 3.9Å; Y36-F131 AromaticContact CZ-CG 3.33Å; Y36-F131 PolarHBondContact N-O 3.03Å; Y36-F131 VanDerWaalsContact N-O 3.13Å; Y36-F131 PolarHBondContact O-N 3.05Å; Y36-F131 VanDerWaalsContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CD1 3.3Å; Y36-F131 WeakPolarHBondContact OH-CG 3.45Å; C100-F131 HydrophobicContact CB-CB 4.18Å; C100-F131 HydrophobicContact CB-CD2 3.96Å; C100-F131 HydrophobicContact CB-CG 4.5Å; F102-F131 HydrophobicContact CB-CD2 4.48Å; F102-F131 HydrophobicContact CB-CE2 3.67Å; F102-F131 HydrophobicContact CB-CZ 3.7Å; F102-F131 HydrophobicContact CD1-CE2 4.49Å; F102-F131 AromaticContact CD1-CZ 3.92Å; F102-F131 HydrophobicContact CD1-CZ 3.92Å; F102-F131 AromaticContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE1 3.55Å; F102-F131 HydrophobicContact CD2-CE2 4.14Å; F102-F131 AromaticContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CD2-CZ 3.29Å; F102-F131 HydrophobicContact CE1-CZ 4.38Å; F102-F131 AromaticContact CE2-CE1 3.88Å; F102-F131 HydrophobicContact CE2-CE1 3.88Å; F102-F131 AromaticContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CE2-CZ 3.83Å; F102-F131 HydrophobicContact CG-CE1 4.1Å; F102-F131 AromaticContact CG-CE2 3.85Å; F102-F131 HydrophobicContact CG-CE2 3.85Å; F102-F131 AromaticContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CG-CZ 3.34Å; F102-F131 HydrophobicContact CZ-CZ 4.33Å; L107-F131 HydrophobicContact CD1-CD2 4.18Å; L107-F131 HydrophobicContact CD1-CE2 3.63Å; Y120-F131 HydrophobicContact CD1-CD1 4.13Å; Y120-F131 AromaticContact CD1-CE1 3.37Å; Y120-F131 HydrophobicContact CD1-CE1 3.37Å; Y120-F131 AromaticContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD1-CZ 3.63Å; Y120-F131 HydrophobicContact CD2-CZ 4.38Å; Y120-F131 AromaticContact CE1-CE1 3.99Å; Y120-F131 HydrophobicContact CE1-CE1 3.99Å; Y120-F131 AromaticContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE1 3.8Å; Y120-F131 HydrophobicContact CG-CE2 4.35Å; Y120-F131 AromaticContact CG-CZ 3.53Å; Y120-F131 HydrophobicContact CG-CZ 3.53Å
132E93.8Very high93.2Very high25 Ų2551.5 Ų51.512%0.11726%0.262CS..EExtended strand (participates in β ladder)trans-145.5160.7-175.766.4-175.4160.500111.8Y35 Y120 S121 K125 V130 A134Y35-E132 HydrophobicContact CD2-CB 3.79Å; Y35-E132 HydrophobicContact CE2-CB 4.19Å; Y120-E132 CarbonylContact C-O 3.49Å; Y120-E132 WeakPolarHBondContact CA-O 3.47Å; S121-E132 PolarHBondContact N-O 2.89Å; S121-E132 PolarHBondContact O-N 2.86Å; S121-E132 VanDerWaalsContact O-N 3.16Å; K125-E132 WeakPolarHBondContact CE-OE1 3.48Å; K125-E132 IonicContact NZ-OE1 3.46Å; K125-E132 PolarHBondContact NZ-OE1 2.83Å; K125-E132 IonicContact NZ-OE2 3.57Å; K125-E132 PolarHBondContact NZ-OE2 2.61Å; V130-E132 HydrophobicContact CG1-CB 4.09Å; V130-E132 HydrophobicContact CG1-CG 4.27Å; E132-A134 PolarHBondContact O-N 3.5Å
133A94.4Very high93.2Very high6 Ų655.9 Ų55.95%0.0528%0.282CS..EExtended strand (participates in β ladder)trans-72.6117.9168.500000110.4S33 F118 M119 Y120 L166S33-A133 VanDerWaalsContact CB-CB 3.47Å; F118-A133 HydrophobicContact CB-CB 3.94Å; F118-A133 HydrophobicContact CD1-CB 4.09Å; F118-A133 HydrophobicContact CG-CB 4.18Å; M119-A133 CarbonylContact O-C 3.46Å; M119-A133 WeakPolarHBondContact O-CA 3.41Å; Y120-A133 HydrophobicContact CD1-CB 4.16Å; Y120-A133 HydrophobicContact CE1-CB 3.94Å; A133-L166 HydrophobicContact CB-CB 3.74Å; A133-L166 HydrophobicContact CB-CD2 4.01Å
134A94.3Very high93.3Very high32 Ų3256.3 Ų56.326%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-82.5-30.6175.900000112.7M119 E132M119-A134 PolarHBondContact O-N 3.18Å; E132-A134 PolarHBondContact O-N 3.5Å
135A96.8Very high93.4Very high6 Ų653.4 Ų53.45%0.0527%0.273CS..EExtended strand (participates in β ladder)trans-153.9159.6-179.600000112F118 M119 Q143 Y144F118-A135 CarbonylContact C-O 3.53Å; F118-A135 WeakPolarHBondContact CA-O 3.47Å; M119-A135 HydrophobicContact CB-CB 4.18Å; M119-A135 PolarHBondContact N-O 3.2Å; M119-A135 PolarHBondContact O-N 3.14Å; A135-Q143 HydrophobicContact CB-CB 4.06Å; A135-Q143 HydrophobicContact CB-CG 4.47Å; A135-Y144 WeakPolarHBondContact CA-O 3.12Å; A135-Y144 WeakPolarHBondContact CB-O 3.27Å
136C96.3Very high93.5Very high0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-83.6148.6166-640000110.2Y144 F150 C159 Q168C136-Y144 PolarHBondContact N-O 2.79Å; C136-Y144 PolarHBondContact O-N 2.89Å; C136-F150 HydrophobicContact CB-CE1 3.89Å; C136-F150 HydrophobicContact CB-CZ 4.19Å; C136-C159 HydrophobicContact CB-CB 3.58Å; C136-C159 WeakPolarHBondContact CB-SG 3.09Å; C136-C159 PolarHBondContact N-SG 3.22Å; C136-C159 WeakPolarHBondContact SG-CA 3.37Å; C136-C159 WeakPolarHBondContact SG-CB 3.33Å; C136-C159 CovalentContact SG-SG 2.03Å; C136-C159 PolarHBondContact SG-SG 2.78Å; C136-Q168 HydrophobicContact CB-CG 3.99Å
137L95.7Very high93.8Very high11 Ų1151.3 Ų51.36%0.05827%0.268CS..EExtended strand (participates in β ladder)trans-105.7131.4176.8-65176.7000112P114 Y117 F118 M119 E142 Q143 R152 Q168P114-L137 HydrophobicContact CB-CD1 3.82Å; Y117-L137 PolarHBondContact O-N 2.71Å; F118-L137 VanDerWaalsContact C-CD1 3.47Å; F118-L137 VanDerWaalsContact O-CD1 3.3Å; F118-L137 WeakPolarHBondContact O-CD1 3.38Å; M119-L137 HydrophobicContact CB-CD2 4.12Å; M119-L137 HydrophobicContact CB-CG 4.41Å; M119-L137 HydrophobicContact CE-CD2 4.13Å; L137-E142 WeakPolarHBondContact CA-O 3.03Å; L137-Q143 HydrophobicContact CD2-CG 3.75Å; L137-R152 PolarHBondContact O-NH2 3.45Å; L137-Q168 PolarHBondContact O-NE2 3.37Å
138G92.9Very high94.2Very high10 Ų1049.5 Ų49.510%0.10326%0.263CS..  trans-73.7-179.5164.100000112.4R140 G141 E142G138-R140 VanDerWaalsContact C-N 3.29Å; G138-R140 PolarHBondContact O-N 3.38Å; G138-G141 PolarHBondContact O-N 2.87Å; G138-E142 PolarHBondContact N-O 2.94Å
139D89.7Confident94.4Very high104 Ų10452 Ų5256%0.55627%0.272SS*.THydrogen-bonded Turntrans-71.9-22.6-175.2-65.8-24.2000113.4R152D139-R152 IonicContact OD1-CZ 2.67Å; D139-R152 VanDerWaalsContact OD1-CZ 3.32Å; D139-R152 IonicContact OD1-NE 2.76Å; D139-R152 PolarHBondContact OD1-NE 3.34Å; D139-R152 IonicContact OD1-NH2 2.79Å; D139-R152 PolarHBondContact OD1-NH2 2.82Å; D139-R152 VanDerWaalsContact OD1-NH2 3.1Å; D139-R152 WeakPolarHBondContact OD2-CG 3.13Å; D139-R152 IonicContact OD2-NE 3.1Å
140R91Very high94.4Very high227 Ų22752.4 Ų52.486%0.85727%0.274SS*.THydrogen-bonded Turntrans-10617.5177.4-39.3177.8-179176.7-0.5111.8G138 E142G138-R140 VanDerWaalsContact C-N 3.29Å; G138-R140 PolarHBondContact O-N 3.38Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 WeakPolarHBondContact CA-OE2 3.17Å; R140-E142 VanDerWaalsContact CB-OE1 3.3Å; R140-E142 WeakPolarHBondContact CB-OE1 3.49Å; R140-E142 WeakPolarHBondContact CD-OE1 3.16Å; R140-E142 WeakPolarHBondContact CG-OE1 3.48Å; R140-E142 PolarHBondContact N-OE2 3.15Å
141G91.6Very high94.3Very high43 Ų4357.3 Ų57.344%0.44330%0.295SS..  trans79.611.2179.800000114.5G138G138-G141 PolarHBondContact O-N 2.87Å
142E95.8Very high94.1Very high70 Ų7058.6 Ų58.633%0.32730%0.3SS..  trans-62.1138.1173.7-49.893.4153.700110.3L137 G138 R140 Y144L137-E142 WeakPolarHBondContact CA-O 3.03Å; G138-E142 PolarHBondContact N-O 2.94Å; R140-E142 VanDerWaalsContact C-N 3.33Å; R140-E142 WeakPolarHBondContact CA-OE2 3.17Å; R140-E142 VanDerWaalsContact CB-OE1 3.3Å; R140-E142 WeakPolarHBondContact CB-OE1 3.49Å; R140-E142 WeakPolarHBondContact CD-OE1 3.16Å; R140-E142 WeakPolarHBondContact CG-OE1 3.48Å; R140-E142 PolarHBondContact N-OE2 3.15Å; E142-Y144 HydrophobicContact CB-CE2 3.72Å; E142-Y144 WeakPolarHBondContact O-CD2 3.07Å; E142-Y144 WeakPolarHBondContact O-CE2 3.47Å
143Q96.6Very high93.9Very high91 Ų9160.8 Ų60.843%0.42533%0.329SS..EExtended strand (participates in β ladder)trans-95.9127.3-177.9-68.8178.951.400110.8M119 A135 L137M119-Q143 HydrophobicContact CB-CG 4.41Å; M119-Q143 HydrophobicContact CE-CG 4.4Å; A135-Q143 HydrophobicContact CB-CB 4.06Å; A135-Q143 HydrophobicContact CB-CG 4.47Å; L137-Q143 HydrophobicContact CD2-CG 3.75Å
144Y97Very high93.7Very high48 Ų4863.1 Ų63.119%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-116.1114.6177.1-60.5-83.5000109.3A135 C136 E142 M148 F150 C159A135-Y144 WeakPolarHBondContact CA-O 3.12Å; A135-Y144 WeakPolarHBondContact CB-O 3.27Å; C136-Y144 PolarHBondContact N-O 2.79Å; C136-Y144 PolarHBondContact O-N 2.89Å; E142-Y144 HydrophobicContact CB-CE2 3.72Å; E142-Y144 WeakPolarHBondContact O-CD2 3.07Å; E142-Y144 WeakPolarHBondContact O-CE2 3.47Å; Y144-M148 HydrophobicContact CD1-CB 4.45Å; Y144-M148 HydrophobicContact CD1-CE 4.41Å; Y144-F150 HydrophobicContact CD1-CB 3.63Å; Y144-F150 HydrophobicContact CD1-CD1 4.17Å; Y144-F150 HydrophobicContact CD1-CG 4.2Å; Y144-F150 HydrophobicContact CD2-CB 3.79Å; Y144-F150 AromaticContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD2 4.19Å; Y144-F150 HydrophobicContact CD2-CE1 4.37Å; Y144-F150 AromaticContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CE1-CB 3.37Å; Y144-F150 HydrophobicContact CE1-CG 4.29Å; Y144-F150 HydrophobicContact CE2-CB 3.55Å; Y144-F150 HydrophobicContact CE2-CD1 4.31Å; Y144-F150 HydrophobicContact CE2-CD2 4.1Å; Y144-F150 AromaticContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CG-CB 3.82Å; Y144-F150 AromaticContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CE1 4.45Å; Y144-F150 AromaticContact CG-CG 3.87Å; Y144-F150 HydrophobicContact CG-CG 3.87Å; Y144-C159 PolarHBondContact O-SG 3.11Å; Y144-C159 VanDerWaalsContact O-SG 3.35Å
145G94.9Very high93.5Very high25 Ų2561.8 Ų61.826%0.25833%0.329SS..  trans-67.2177.6176.900000112.8A147 M148 C159G145-A147 PolarHBondContact O-N 2.77Å; G145-M148 PolarHBondContact N-SD 2.94Å; G145-M148 WeakPolarHBondContact O-CB 3.2Å; G145-M148 PolarHBondContact O-N 3.34Å; G145-M148 VanDerWaalsContact O-N 3.1Å; G145-C159 WeakPolarHBondContact O-CB 3.42Å
146K92.5Very high93.4Very high132 Ų13261.7 Ų61.757%0.57433%0.328SS*.THydrogen-bonded Turntrans-55.2139.2178.4-62.9-179-177.9-178.50110.9M148 C159 L166K146-M148 PolarHBondContact O-N 3.3Å; K146-M148 VanDerWaalsContact O-N 3.1Å; K146-C159 CarbonylContact C-O 3.59Å; K146-L166 HydrophobicContact CG-CD1 4.03Å
147A93.4Very high93.3Very high63 Ų6362 Ų6252%0.52133%0.329SS..THydrogen-bonded Turntrans62.7-3.8-174.600000116.7G145 C159G145-A147 PolarHBondContact O-N 2.77Å; A147-C159 WeakPolarHBondContact CA-O 3.47Å; A147-C159 PolarHBondContact N-O 3.16Å
148M96.7Very high93.2Very high98 Ų9863.8 Ų63.848%0.48334%0.337SS..  trans-70.9141.9176.6-64.1-176.372.400111.2Y144 G145 K146 Q158 C159Y144-M148 HydrophobicContact CD1-CB 4.45Å; Y144-M148 HydrophobicContact CD1-CE 4.41Å; G145-M148 PolarHBondContact N-SD 2.94Å; G145-M148 WeakPolarHBondContact O-CB 3.2Å; G145-M148 PolarHBondContact O-N 3.34Å; G145-M148 VanDerWaalsContact O-N 3.1Å; K146-M148 PolarHBondContact O-N 3.3Å; K146-M148 VanDerWaalsContact O-N 3.1Å; M148-Q158 WeakPolarHBondContact O-CA 3.33Å; M148-C159 PolarHBondContact O-N 3.09Å
149K95.5Very high93.3Very high101 Ų10163.3 Ų63.344%0.43933%0.332SS..EExtended strand (participates in β ladder)trans-97.2149.3174.6-65.7-176.2-178.5-177.20111.1V156 Y157 Q158 V171K149-V156 HydrophobicContact CB-CG1 4.19Å; K149-V156 HydrophobicContact CD-CG1 4.16Å; K149-V156 HydrophobicContact CG-CG1 4.48Å; K149-Y157 CarbonylContact C-O 3.46Å; K149-Y157 WeakPolarHBondContact CA-O 3.4Å; K149-Q158 HydrophobicContact CG-CB 4.25Å; K149-Q158 HydrophobicContact CG-CG 4.25Å; K149-V171 HydrophobicContact CD-CG2 4.43Å
150F95.1Very high93.5Very high8 Ų859.2 Ų59.24%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-152159.4174.362.6-82.6000111.5C136 Y144 Y157 C159 Q168C136-F150 HydrophobicContact CB-CE1 3.89Å; C136-F150 HydrophobicContact CB-CZ 4.19Å; Y144-F150 HydrophobicContact CD1-CB 3.63Å; Y144-F150 HydrophobicContact CD1-CD1 4.17Å; Y144-F150 HydrophobicContact CD1-CG 4.2Å; Y144-F150 HydrophobicContact CD2-CB 3.79Å; Y144-F150 AromaticContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD1 3.73Å; Y144-F150 HydrophobicContact CD2-CD2 4.19Å; Y144-F150 HydrophobicContact CD2-CE1 4.37Å; Y144-F150 AromaticContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CD2-CG 3.65Å; Y144-F150 HydrophobicContact CE1-CB 3.37Å; Y144-F150 HydrophobicContact CE1-CG 4.29Å; Y144-F150 HydrophobicContact CE2-CB 3.55Å; Y144-F150 HydrophobicContact CE2-CD1 4.31Å; Y144-F150 HydrophobicContact CE2-CD2 4.1Å; Y144-F150 AromaticContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CE2-CG 3.75Å; Y144-F150 HydrophobicContact CG-CB 3.82Å; Y144-F150 AromaticContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CD1 3.64Å; Y144-F150 HydrophobicContact CG-CE1 4.45Å; Y144-F150 AromaticContact CG-CG 3.87Å; Y144-F150 HydrophobicContact CG-CG 3.87Å; F150-Y157 HydrophobicContact CE2-CD2 4.3Å; F150-Y157 HydrophobicContact CE2-CG 4.22Å; F150-Y157 VanDerWaalsContact CZ-CB 3.46Å; F150-Y157 HydrophobicContact CZ-CG 4.16Å; F150-Y157 PolarHBondContact N-O 2.79Å; F150-Y157 PolarHBondContact O-N 2.91Å; F150-C159 HydrophobicContact CE1-CB 4.44Å; F150-Q168 HydrophobicContact CZ-CB 4.48Å; F150-Q168 HydrophobicContact CZ-CG 4Å
151K92.7Very high93.5Very high104 Ų10452 Ų5245%0.45229%0.294SS..EExtended strand (participates in β ladder)trans-102.6139.4-177.9-66.4173.9-179.4171.10110.3V155 V156 V174 E179K151-V155 WeakPolarHBondContact CA-O 3.42Å; K151-V156 HydrophobicContact CG-CG2 4.48Å; K151-V174 HydrophobicContact CD-CG2 3.92Å; K151-V174 HydrophobicContact CG-CG2 4.04Å; K151-E179 VanDerWaalsContact CE-CD 3.47Å; K151-E179 WeakPolarHBondContact CE-OE1 3.42Å; K151-E179 IonicContact NZ-OE1 3.32Å; K151-E179 PolarHBondContact NZ-OE1 2.89Å
152R89.8Confident93.3Very high27 Ų2754.5 Ų54.510%0.10230%0.295CS..EExtended strand (participates in β ladder)trans-136.8107.8167.4166.6179.5-68.31405.6107.1Y117 L137 D139 N154 V155 Y157Y117-R152 VanDerWaalsContact CD1-NH1 3.32Å; L137-R152 PolarHBondContact O-NH2 3.45Å; D139-R152 IonicContact OD1-CZ 2.67Å; D139-R152 VanDerWaalsContact OD1-CZ 3.32Å; D139-R152 IonicContact OD1-NE 2.76Å; D139-R152 PolarHBondContact OD1-NE 3.34Å; D139-R152 IonicContact OD1-NH2 2.79Å; D139-R152 PolarHBondContact OD1-NH2 2.82Å; D139-R152 VanDerWaalsContact OD1-NH2 3.1Å; D139-R152 WeakPolarHBondContact OD2-CG 3.13Å; D139-R152 IonicContact OD2-NE 3.1Å; R152-N154 PolarHBondContact O-N 3.04Å; R152-V155 PolarHBondContact N-O 2.88Å; R152-V155 PolarHBondContact O-N 2.81Å; R152-V155 VanDerWaalsContact O-N 3.17Å; R152-Y157 HydrophobicContact CB-CD2 3.98Å; R152-Y157 HydrophobicContact CB-CE2 3.81Å; R152-Y157 HydrophobicContact CG-CE2 4.32Å
153G88.5Confident92.9Very high70 Ų7054.7 Ų54.772%0.72232%0.315SS*.THydrogen-bonded Turntrans56.7-126.8-169.100000111.8V155G153-V155 VanDerWaalsContact C-N 3.35Å
154N90.1Very high92.3Very high56 Ų5655.5 Ų55.530%0.29932%0.323SS..THydrogen-bonded Turntrans-91.515179.764.3-15.8000114R152 C173 V174R152-N154 PolarHBondContact O-N 3.04Å; N154-C173 CarbonylContact O-C 3.58Å; N154-C173 VanDerWaalsContact O-CA 3.29Å; N154-C173 WeakPolarHBondContact O-CA 3.24Å; N154-V174 PolarHBondContact O-N 2.85Å
155V92.1Very high92Very high4 Ų459.2 Ų59.22%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-119.4137.1-178.7179.30000110.6K151 R152 G153 Y157 A170 V203K151-V155 WeakPolarHBondContact CA-O 3.42Å; R152-V155 PolarHBondContact N-O 2.88Å; R152-V155 PolarHBondContact O-N 2.81Å; R152-V155 VanDerWaalsContact O-N 3.17Å; G153-V155 VanDerWaalsContact C-N 3.35Å; V155-Y157 HydrophobicContact CB-CD2 4.37Å; V155-Y157 HydrophobicContact CB-CE2 3.69Å; V155-Y157 HydrophobicContact CG1-CD2 3.92Å; V155-Y157 HydrophobicContact CG1-CE1 4.25Å; V155-Y157 HydrophobicContact CG1-CE2 3.4Å; V155-Y157 VanDerWaalsContact CG1-CE2 3.4Å; V155-A170 HydrophobicContact CG1-CB 3.91Å; V155-V203 HydrophobicContact CB-CG2 4.33Å; V155-V203 HydrophobicContact CG1-CG2 3.48Å; V155-V203 VanDerWaalsContact CG1-CG2 3.48Å; V155-V203 HydrophobicContact CG2-CG2 3.96Å
156V93.9Very high91.8Very high3 Ų358.2 Ų58.22%0.01833%0.325CS..EExtended strand (participates in β ladder)trans-95.7119.9170.3-1740000108.3K149 K151 V171 G172 V174 E179K149-V156 HydrophobicContact CB-CG1 4.19Å; K149-V156 HydrophobicContact CD-CG1 4.16Å; K149-V156 HydrophobicContact CG-CG1 4.48Å; K151-V156 HydrophobicContact CG-CG2 4.48Å; V156-V171 HydrophobicContact CB-CG2 4.44Å; V156-V171 HydrophobicContact CG1-CG2 4.03Å; V156-V171 WeakPolarHBondContact O-CG2 3.23Å; V156-V171 PolarHBondContact O-N 2.93Å; V156-G172 PolarHBondContact N-O 3.19Å; V156-G172 PolarHBondContact O-N 3.02Å; V156-V174 HydrophobicContact CG2-CG2 3.66Å; V156-E179 HydrophobicContact CG2-CB 4.48Å; V156-E179 HydrophobicContact CG2-CG 3.92Å
157Y92.9Very high91.8Very high6 Ų652.9 Ų52.92%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-100.5150.3172.8-70-87.8000110.4M28 K149 F150 R152 V155 Q168 K169 A170M28-Y157 WeakPolarHBondContact CB-OH 3.05Å; M28-Y157 WeakPolarHBondContact CG-OH 3.36Å; K149-Y157 CarbonylContact C-O 3.46Å; K149-Y157 WeakPolarHBondContact CA-O 3.4Å; F150-Y157 HydrophobicContact CE2-CD2 4.3Å; F150-Y157 HydrophobicContact CE2-CG 4.22Å; F150-Y157 VanDerWaalsContact CZ-CB 3.46Å; F150-Y157 HydrophobicContact CZ-CG 4.16Å; F150-Y157 PolarHBondContact N-O 2.79Å; F150-Y157 PolarHBondContact O-N 2.91Å; R152-Y157 HydrophobicContact CB-CD2 3.98Å; R152-Y157 HydrophobicContact CB-CE2 3.81Å; R152-Y157 HydrophobicContact CG-CE2 4.32Å; V155-Y157 HydrophobicContact CB-CD2 4.37Å; V155-Y157 HydrophobicContact CB-CE2 3.69Å; V155-Y157 HydrophobicContact CG1-CD2 3.92Å; V155-Y157 HydrophobicContact CG1-CE1 4.25Å; V155-Y157 HydrophobicContact CG1-CE2 3.4Å; V155-Y157 VanDerWaalsContact CG1-CE2 3.4Å; Y157-Q168 HydrophobicContact CD1-CB 4.09Å; Y157-K169 CarbonylContact C-O 3.47Å; Y157-K169 VanDerWaalsContact CA-O 3.3Å; Y157-K169 WeakPolarHBondContact CA-O 3.48Å; Y157-A170 HydrophobicContact CD1-CB 4.22Å; Y157-A170 HydrophobicContact CE1-CB 3.89Å
158Q94.4Very high91.7Very high50 Ų5050 Ų5023%0.23428%0.278CS..EExtended strand (participates in β ladder)trans-119133.4166.1-172.1174-35.800108.7M148 K149 S160 K169 V171M148-Q158 WeakPolarHBondContact O-CA 3.33Å; K149-Q158 HydrophobicContact CG-CB 4.25Å; K149-Q158 HydrophobicContact CG-CG 4.25Å; Q158-S160 PolarHBondContact NE2-OG 3.42Å; Q158-S160 PolarHBondContact O-N 2.96Å; Q158-K169 PolarHBondContact N-O 3.26Å; Q158-K169 PolarHBondContact O-N 3.27Å; Q158-V171 HydrophobicContact CB-CB 4.4Å; Q158-V171 HydrophobicContact CB-CG1 3.66Å; Q158-V171 HydrophobicContact CB-CG2 3.83Å
159C95.1Very high91.4Very high0 Ų050.2 Ų50.20%028%0.276CS..EExtended strand (participates in β ladder)trans-79.398.3172.9-165.70000109.5C136 Y144 G145 K146 A147 M148 F150 L166C136-C159 HydrophobicContact CB-CB 3.58Å; C136-C159 WeakPolarHBondContact CB-SG 3.09Å; C136-C159 PolarHBondContact N-SG 3.22Å; C136-C159 WeakPolarHBondContact SG-CA 3.37Å; C136-C159 WeakPolarHBondContact SG-CB 3.33Å; C136-C159 CovalentContact SG-SG 2.03Å; C136-C159 PolarHBondContact SG-SG 2.78Å; Y144-C159 PolarHBondContact O-SG 3.11Å; Y144-C159 VanDerWaalsContact O-SG 3.35Å; G145-C159 WeakPolarHBondContact O-CB 3.42Å; K146-C159 CarbonylContact C-O 3.59Å; A147-C159 WeakPolarHBondContact CA-O 3.47Å; A147-C159 PolarHBondContact N-O 3.16Å; M148-C159 PolarHBondContact O-N 3.09Å; F150-C159 HydrophobicContact CE1-CB 4.44Å; C159-L166 WeakPolarHBondContact SG-CD2 3.38Å; C159-L166 WeakPolarHBondContact SG-CG 3.19Å
160S93.2Very high91.2Very high17 Ų1746 Ų4612%0.11926%0.26CS..EExtended strand (participates in β ladder)trans-114.5137.3-169.6-66.40000111.6Q158 I167Q158-S160 PolarHBondContact NE2-OG 3.42Å; Q158-S160 PolarHBondContact O-N 2.96Å; S160-I167 PolarHBondContact N-O 2.86Å; S160-I167 VanDerWaalsContact O-CG1 3.24Å; S160-I167 WeakPolarHBondContact O-CG1 3.46Å; S160-I167 PolarHBondContact O-N 3.45Å
161P91.3Very high91.1Very high76 Ų7646.9 Ų46.949%0.49427%0.266SS..EExtended strand (participates in β ladder)trans-69.4140.1167.730.2-32.8000110R165P161-R165 WeakPolarHBondContact CA-O 3.32Å
162E87Confident91.2Very high96 Ų9642 Ų4245%0.44925%0.246SC..EExtended strand (participates in β ladder)trans-136.898.5170.4-173.4169-156.700107.9Y32 D164 R165 I167Y32-E162 WeakPolarHBondContact CE1-OE2 3.34Å; E162-D164 PolarHBondContact O-N 3.26Å; E162-R165 PolarHBondContact N-O 3.12Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 VanDerWaalsContact O-N 3.16Å; E162-I167 HydrophobicContact CB-CD1 4.35Å; E162-I167 HydrophobicContact CB-CG1 4.14Å; E162-I167 HydrophobicContact CB-CG2 4.07Å; E162-I167 WeakPolarHBondContact OE2-CD1 3.06Å; E162-I167 WeakPolarHBondContact OE2-CG2 3.45Å
163G87.3Confident91.5Very high74 Ų7440.8 Ų40.876%0.76324%0.241SC*.THydrogen-bonded Turntrans59-130-164.600000110.9R165G163-R165 VanDerWaalsContact C-N 3.27Å; G163-R165 PolarHBondContact O-N 3.4Å
164D85.9Confident91.8Very high108 Ų10838.6 Ų38.658%0.57821%0.214SC*.THydrogen-bonded Turntrans-82.9-1.8178.6-60.3-45.2000114Y35 E162Y35-D164 HydrophobicContact CD1-CB 3.62Å; Y35-D164 HydrophobicContact CD2-CB 3.77Å; Y35-D164 WeakPolarHBondContact CD2-O 3.35Å; Y35-D164 HydrophobicContact CE1-CB 3.55Å; Y35-D164 HydrophobicContact CE2-CB 3.72Å; Y35-D164 HydrophobicContact CG-CB 3.72Å; E162-D164 PolarHBondContact O-N 3.26Å
165R89.3Confident92Very high126 Ų12636.3 Ų36.348%0.47520%0.202SC..EExtended strand (participates in β ladder)trans-105.4159.2-176.5-65.7176.1-177.8176.82111.2S33 P161 E162 G163S33-R165 VanDerWaalsContact O-CD 3.32Å; S33-R165 WeakPolarHBondContact O-CD 3.44Å; P161-R165 WeakPolarHBondContact CA-O 3.32Å; E162-R165 PolarHBondContact N-O 3.12Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 VanDerWaalsContact O-N 3.16Å; G163-R165 VanDerWaalsContact C-N 3.27Å; G163-R165 PolarHBondContact O-N 3.4Å
166L91.8Very high92.1Very high4 Ų442 Ų422%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-103.6136.5169.6-157.263.1000108.9S33 F118 A133 K146 C159S33-L166 VanDerWaalsContact CB-O 3.3Å; S33-L166 WeakPolarHBondContact CB-O 2.99Å; S33-L166 PolarHBondContact N-O 3.23Å; S33-L166 PolarHBondContact OG-N 2.93Å; S33-L166 PolarHBondContact OG-O 3.43Å; F118-L166 HydrophobicContact CD1-CB 4.3Å; F118-L166 HydrophobicContact CD1-CD2 4.23Å; F118-L166 HydrophobicContact CD1-CG 4.46Å; F118-L166 HydrophobicContact CE1-CB 4.17Å; F118-L166 HydrophobicContact CE1-CG 4.34Å; F118-L166 WeakPolarHBondContact CE1-O 3.41Å; F118-L166 WeakPolarHBondContact CZ-O 3.12Å; A133-L166 HydrophobicContact CB-CB 3.74Å; A133-L166 HydrophobicContact CB-CD2 4.01Å; K146-L166 HydrophobicContact CG-CD1 4.03Å; C159-L166 WeakPolarHBondContact SG-CD2 3.38Å; C159-L166 WeakPolarHBondContact SG-CG 3.19Å
167I91.6Very high92Very high19 Ų1944.9 Ų44.910%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-124.6146.5176.363.2152.5000110.9K31 Y32 S160 E162 K169K31-I167 WeakPolarHBondContact O-CA 3.4Å; Y32-I167 HydrophobicContact CD1-CG2 3.46Å; Y32-I167 VanDerWaalsContact CD1-CG2 3.46Å; Y32-I167 HydrophobicContact CE1-CG2 3.79Å; Y32-I167 HydrophobicContact CG-CG2 4.12Å; S160-I167 PolarHBondContact N-O 2.86Å; S160-I167 VanDerWaalsContact O-CG1 3.24Å; S160-I167 WeakPolarHBondContact O-CG1 3.46Å; S160-I167 PolarHBondContact O-N 3.45Å; E162-I167 HydrophobicContact CB-CD1 4.35Å; E162-I167 HydrophobicContact CB-CG1 4.14Å; E162-I167 HydrophobicContact CB-CG2 4.07Å; E162-I167 WeakPolarHBondContact OE2-CD1 3.06Å; E162-I167 WeakPolarHBondContact OE2-CG2 3.45Å; I167-K169 HydrophobicContact CD1-CB 3.95Å; I167-K169 HydrophobicContact CD1-CD 4.43Å; I167-K169 HydrophobicContact CD1-CG 4.43Å; I167-K169 PolarHBondContact O-N 2.98Å
168Q91.5Very high92.1Very high4 Ų448.5 Ų48.52%0.01928%0.281CS..EExtended strand (participates in β ladder)trans-90.594.6166-65.5-165.2-9.600108.7G30 K31 Y117 F118 C136 L137 F150 Y157G30-Q168 WeakPolarHBondContact CA-O 3.26Å; K31-Q168 PolarHBondContact O-N 2.84Å; Y117-Q168 PolarHBondContact O-NE2 2.77Å; F118-Q168 HydrophobicContact CE1-CG 3.95Å; F118-Q168 HydrophobicContact CZ-CG 4.1Å; C136-Q168 HydrophobicContact CB-CG 3.99Å; L137-Q168 PolarHBondContact O-NE2 3.37Å; F150-Q168 HydrophobicContact CZ-CB 4.48Å; F150-Q168 HydrophobicContact CZ-CG 4Å; Y157-Q168 HydrophobicContact CD1-CB 4.09Å
169K90.6Very high92.2Very high102 Ų10250.7 Ų50.744%0.44329%0.291SS..EExtended strand (participates in β ladder)trans-86.8124.1-179.4-169.1172.8-176171.80109.8Y157 Q158 I167 V171Y157-K169 CarbonylContact C-O 3.47Å; Y157-K169 VanDerWaalsContact CA-O 3.3Å; Y157-K169 WeakPolarHBondContact CA-O 3.48Å; Q158-K169 PolarHBondContact N-O 3.26Å; Q158-K169 PolarHBondContact O-N 3.27Å; I167-K169 HydrophobicContact CD1-CB 3.95Å; I167-K169 HydrophobicContact CD1-CD 4.43Å; I167-K169 HydrophobicContact CD1-CG 4.43Å; I167-K169 PolarHBondContact O-N 2.98Å; K169-V171 HydrophobicContact CB-CG1 4.31Å; K169-V171 HydrophobicContact CD-CG1 4.37Å; K169-V171 HydrophobicContact CG-CG1 4.11Å; K169-V171 PolarHBondContact O-N 3.01Å
170A91.6Very high92.2Very high12 Ų1251.2 Ų51.210%0.09929%0.294CS..EExtended strand (participates in β ladder)trans-70.8119.1169.300000109.4V155 Y157 V203V155-A170 HydrophobicContact CG1-CB 3.91Å; Y157-A170 HydrophobicContact CD1-CB 4.22Å; Y157-A170 HydrophobicContact CE1-CB 3.89Å; A170-V203 HydrophobicContact CB-CB 4.29Å; A170-V203 HydrophobicContact CB-CG1 3.72Å; A170-V203 HydrophobicContact CB-CG2 3.71Å
171V92.4Very high92.4Very high27 Ų2754.8 Ų54.816%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-119.6-9.6-172.9-65.70000113.7K149 V156 Q158 K169 V182K149-V171 HydrophobicContact CD-CG2 4.43Å; V156-V171 HydrophobicContact CB-CG2 4.44Å; V156-V171 HydrophobicContact CG1-CG2 4.03Å; V156-V171 WeakPolarHBondContact O-CG2 3.23Å; V156-V171 PolarHBondContact O-N 2.93Å; Q158-V171 HydrophobicContact CB-CB 4.4Å; Q158-V171 HydrophobicContact CB-CG1 3.66Å; Q158-V171 HydrophobicContact CB-CG2 3.83Å; K169-V171 HydrophobicContact CB-CG1 4.31Å; K169-V171 HydrophobicContact CD-CG1 4.37Å; K169-V171 HydrophobicContact CG-CG1 4.11Å; K169-V171 PolarHBondContact O-N 3.01Å; V171-V182 WeakPolarHBondContact O-CG2 3.49Å; V171-V182 PolarHBondContact O-N 2.9Å
172G94.8Very high92.5Very high2 Ų252.4 Ų52.42%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-169.3-18017800000112.2V156 V180 C195V156-G172 PolarHBondContact N-O 3.19Å; V156-G172 PolarHBondContact O-N 3.02Å; G172-V180 CarbonylContact C-O 3.47Å; G172-V180 WeakPolarHBondContact CA-O 3.21Å; G172-C195 VanDerWaalsContact C-SG 3.51Å
173C95.8Very high92.8Very high0 Ų052.9 Ų52.90%030%0.298CS..EExtended strand (participates in β ladder)trans-121.7157.7176.4-55.10000109.3N154 I175 E179 V180 C195 V205N154-C173 CarbonylContact O-C 3.58Å; N154-C173 VanDerWaalsContact O-CA 3.29Å; N154-C173 WeakPolarHBondContact O-CA 3.24Å; C173-I175 HydrophobicContact CB-CD1 4.39Å; C173-I175 HydrophobicContact CB-CG1 4.15Å; C173-E179 CarbonylContact O-C 3.53Å; C173-E179 WeakPolarHBondContact O-CA 3.5Å; C173-V180 PolarHBondContact N-O 3.5Å; C173-V180 PolarHBondContact O-N 2.98Å; C173-C195 HydrophobicContact CB-CB 3.63Å; C173-C195 WeakPolarHBondContact CB-SG 3.46Å; C173-C195 PolarHBondContact N-SG 2.05Å; C173-C195 WeakPolarHBondContact SG-CA 3.33Å; C173-C195 WeakPolarHBondContact SG-CB 3.38Å; C173-C195 CovalentContact SG-SG 2.05Å; C173-C195 PolarHBondContact SG-SG 3.08Å; C173-V205 HydrophobicContact CB-CG2 3.65Å
174V95.1Very high93.2Very high25 Ų2557.6 Ų57.615%0.15229%0.293CS..EExtended strand (participates in β ladder)trans-108.2113.8168.3-173.70000107.4K151 N154 V156 I178 E179K151-V174 HydrophobicContact CD-CG2 3.92Å; K151-V174 HydrophobicContact CG-CG2 4.04Å; N154-V174 PolarHBondContact O-N 2.85Å; V156-V174 HydrophobicContact CG2-CG2 3.66Å; V174-I178 CarbonylContact C-O 3.49Å; V174-I178 WeakPolarHBondContact CA-O 3.43Å; V174-E179 HydrophobicContact CG2-CG 4.39Å
175I94.6Very high93.7Very high8 Ų853.7 Ų53.74%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-120.5112.2-176.1-54.3177.2000107.6C173 G177 I178 V180 V186 V188 Y193 V205C173-I175 HydrophobicContact CB-CD1 4.39Å; C173-I175 HydrophobicContact CB-CG1 4.15Å; I175-G177 PolarHBondContact O-N 2.95Å; I175-I178 PolarHBondContact N-O 2.89Å; I175-I178 WeakPolarHBondContact O-CB 3.45Å; I175-I178 PolarHBondContact O-N 2.56Å; I175-V180 HydrophobicContact CB-CG2 4.34Å; I175-V180 HydrophobicContact CD1-CB 4.17Å; I175-V180 HydrophobicContact CD1-CG1 4.46Å; I175-V180 HydrophobicContact CD1-CG2 4.01Å; I175-V180 HydrophobicContact CG1-CG2 4.26Å; I175-V186 HydrophobicContact CB-CG1 3.91Å; I175-V186 HydrophobicContact CD1-CG1 3.91Å; I175-V186 HydrophobicContact CG1-CG1 4.48Å; I175-V186 HydrophobicContact CG2-CG1 3.77Å; I175-V188 HydrophobicContact CG2-CG2 4.13Å; I175-Y193 HydrophobicContact CG2-CD1 4.42Å; I175-Y193 HydrophobicContact CG2-CD2 4.13Å; I175-Y193 HydrophobicContact CG2-CG 3.91Å; I175-V205 HydrophobicContact CD1-CG1 3.83Å; I175-V205 HydrophobicContact CD1-CG2 4.14Å; I175-V205 HydrophobicContact CG1-CB 4.43Å; I175-V205 HydrophobicContact CG1-CG1 3.85Å; I175-V205 HydrophobicContact CG1-CG2 3.69Å; I175-V205 HydrophobicContact CG2-CG1 4.45Å
176N93.3Very high94Very high124 Ų12448.7 Ų48.766%0.66326%0.259SS*.THydrogen-bonded Turntrans50.344.7-175.3-163.445.7000113I178 V188N176-I178 PolarHBondContact O-N 2.85Å; N176-V188 HydrophobicContact CB-CB 4.49Å; N176-V188 HydrophobicContact CB-CG1 3.79Å; N176-V188 HydrophobicContact CB-CG2 3.86Å; N176-V188 WeakPolarHBondContact ND2-CG1 3.46Å
177G93.2Very high94.2Very high63 Ų6351.8 Ų51.865%0.64928%0.275SS*.THydrogen-bonded Turntrans80-11.4-177.800000115.5I175I175-G177 PolarHBondContact O-N 2.95Å
178I94.6Very high94.3Very high82 Ų8252.3 Ų52.342%0.42128%0.279SS..EExtended strand (participates in β ladder)trans-90.7129.8-178.3-55.5170.5000109.8V174 I175 N176 V180 V186V174-I178 CarbonylContact C-O 3.49Å; V174-I178 WeakPolarHBondContact CA-O 3.43Å; I175-I178 PolarHBondContact N-O 2.89Å; I175-I178 WeakPolarHBondContact O-CB 3.45Å; I175-I178 PolarHBondContact O-N 2.56Å; N176-I178 PolarHBondContact O-N 2.85Å; I178-V180 HydrophobicContact CG2-CG2 4.21Å; I178-V186 HydrophobicContact CD1-CG2 4.01Å; I178-V186 HydrophobicContact CG2-CG2 4.44Å
179E95.7Very high94.4Very high96 Ų9655.3 Ų55.345%0.44931%0.31SS..EExtended strand (participates in β ladder)trans-76127.5170.2-69.7-176.9-148.200110.7K151 V156 C173 V174K151-E179 VanDerWaalsContact CE-CD 3.47Å; K151-E179 WeakPolarHBondContact CE-OE1 3.42Å; K151-E179 IonicContact NZ-OE1 3.32Å; K151-E179 PolarHBondContact NZ-OE1 2.89Å; V156-E179 HydrophobicContact CG2-CB 4.48Å; V156-E179 HydrophobicContact CG2-CG 3.92Å; C173-E179 CarbonylContact O-C 3.53Å; C173-E179 WeakPolarHBondContact O-CA 3.5Å; V174-E179 HydrophobicContact CG2-CG 4.39Å
180V96.3Very high94.6Very high11 Ų1154.6 Ų54.67%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-127.8118.2-177-176.60000108.5G172 C173 I175 I178 R184 V186 C195G172-V180 CarbonylContact C-O 3.47Å; G172-V180 WeakPolarHBondContact CA-O 3.21Å; C173-V180 PolarHBondContact N-O 3.5Å; C173-V180 PolarHBondContact O-N 2.98Å; I175-V180 HydrophobicContact CB-CG2 4.34Å; I175-V180 HydrophobicContact CD1-CB 4.17Å; I175-V180 HydrophobicContact CD1-CG1 4.46Å; I175-V180 HydrophobicContact CD1-CG2 4.01Å; I175-V180 HydrophobicContact CG1-CG2 4.26Å; I178-V180 HydrophobicContact CG2-CG2 4.21Å; V180-R184 HydrophobicContact CG1-CB 3.8Å; V180-R184 WeakPolarHBondContact CG1-O 3.23Å; V180-V186 HydrophobicContact CG2-CB 3.86Å; V180-V186 HydrophobicContact CG2-CG1 3.76Å; V180-V186 HydrophobicContact CG2-CG2 4.5Å; V180-C195 HydrophobicContact CB-CB 4.38Å; V180-C195 HydrophobicContact CG1-CB 4.07Å
181D96.1Very high94.7Very high91 Ų9155 Ų5549%0.48731%0.312SS..EExtended strand (participates in β ladder)trans-61153.4176.6-70.5-30.5000111.6H183 R184D181-H183 PolarHBondContact O-N 2.75Å; D181-R184 HydrophobicContact CB-CB 4.47Å; D181-R184 HydrophobicContact CB-CG 3.85Å; D181-R184 VanDerWaalsContact O-CB 3.25Å; D181-R184 WeakPolarHBondContact O-CB 3.25Å; D181-R184 PolarHBondContact O-N 3.01Å
182V93.1Very high94.9Very high26 Ų2654.7 Ų54.716%0.15831%0.308CS..THydrogen-bonded Turntrans-56.2138.2176.1176.40000111.1V171 R184 R197 V203V171-V182 WeakPolarHBondContact O-CG2 3.49Å; V171-V182 PolarHBondContact O-N 2.9Å; V182-R184 PolarHBondContact O-N 3.25Å; V182-R197 HydrophobicContact CG1-CG 3.48Å; V182-R197 VanDerWaalsContact CG1-CG 3.48Å; V182-V203 HydrophobicContact CG2-CB 4.28Å; V182-V203 HydrophobicContact CG2-CG1 3.45Å; V182-V203 VanDerWaalsContact CG2-CG1 3.45Å
183H93.6Very high94.9Very high106 Ų10656.5 Ų56.549%0.49131%0.314SS..THydrogen-bonded Turntrans66.8-1.2-171.6-53.6-60.2000116D181 K194 C195D181-H183 PolarHBondContact O-N 2.75Å; H183-K194 WeakPolarHBondContact O-CE 3.29Å; H183-C195 VanDerWaalsContact CA-O 3.25Å; H183-C195 WeakPolarHBondContact CA-O 3.37Å; H183-C195 PolarHBondContact N-O 3Å
184R97.1Very high94.9Very high174 Ų17459.8 Ų59.866%0.65733%0.328SS*.  trans-86.5160.6170.5-58-60.9-172.6170.40.2111.3V180 D181 V182 K194 C195V180-R184 HydrophobicContact CG1-CB 3.8Å; V180-R184 WeakPolarHBondContact CG1-O 3.23Å; D181-R184 HydrophobicContact CB-CB 4.47Å; D181-R184 HydrophobicContact CB-CG 3.85Å; D181-R184 VanDerWaalsContact O-CB 3.25Å; D181-R184 WeakPolarHBondContact O-CB 3.25Å; D181-R184 PolarHBondContact O-N 3.01Å; V182-R184 PolarHBondContact O-N 3.25Å; R184-K194 WeakPolarHBondContact O-CA 3.49Å; R184-K194 WeakPolarHBondContact O-CG 3.08Å; R184-C195 PolarHBondContact O-N 2.96Å
185A95.2Very high94.9Very high25 Ų2558.6 Ų58.621%0.20732%0.321CS..EExtended strand (participates in β ladder)trans-131.6147.4-177.600000110.8W192 Y193 K194 R217A185-W192 HydrophobicContact CB-CE3 3.93Å; A185-W192 HydrophobicContact CB-CZ3 4.06Å; A185-Y193 CarbonylContact C-O 3.59Å; A185-Y193 WeakPolarHBondContact CA-O 3.25Å; A185-Y193 WeakPolarHBondContact CB-O 3.05Å; A185-K194 HydrophobicContact CB-CB 4.31Å; A185-K194 HydrophobicContact CB-CG 4.49Å; A185-R217 PolarHBondContact O-NH2 3.35Å
186V96.7Very high94.8Very high22 Ų2258.6 Ų58.613%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-130.3150.5-17969.10000109.6I175 I178 V180 V188 W192 Y193I175-V186 HydrophobicContact CB-CG1 3.91Å; I175-V186 HydrophobicContact CD1-CG1 3.91Å; I175-V186 HydrophobicContact CG1-CG1 4.48Å; I175-V186 HydrophobicContact CG2-CG1 3.77Å; I178-V186 HydrophobicContact CD1-CG2 4.01Å; I178-V186 HydrophobicContact CG2-CG2 4.44Å; V180-V186 HydrophobicContact CG2-CB 3.86Å; V180-V186 HydrophobicContact CG2-CG1 3.76Å; V180-V186 HydrophobicContact CG2-CG2 4.5Å; V186-V188 HydrophobicContact CG1-CG2 4.24Å; V186-W192 WeakPolarHBondContact O-CA 2.75Å; V186-Y193 PolarHBondContact N-O 2.78Å; V186-Y193 PolarHBondContact O-N 2.83Å
187I96Very high94.7Very high69 Ų6959.9 Ų59.935%0.35432%0.318SS..EExtended strand (participates in β ladder)trans-98.4131173.8-66.9172.6000107.7G189 W192 V211 R217I187-G189 WeakPolarHBondContact CG2-O 3.49Å; I187-W192 HydrophobicContact CG1-CB 4.05Å; I187-V211 HydrophobicContact CB-CG2 4.4Å; I187-V211 HydrophobicContact CD1-CG1 4.06Å; I187-V211 HydrophobicContact CD1-CG2 4.16Å; I187-V211 HydrophobicContact CG1-CG2 3.89Å; I187-V211 HydrophobicContact CG2-CB 4.41Å; I187-V211 HydrophobicContact CG2-CG1 4.23Å; I187-V211 HydrophobicContact CG2-CG2 3.86Å; I187-R217 HydrophobicContact CD1-CG 4.5Å
188V93.9Very high94.2Very high30 Ų3058.6 Ų58.618%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-131.9107.3173.6-179.70000107.3I175 N176 V186 N190 L191 Y193I175-V188 HydrophobicContact CG2-CG2 4.13Å; N176-V188 HydrophobicContact CB-CB 4.49Å; N176-V188 HydrophobicContact CB-CG1 3.79Å; N176-V188 HydrophobicContact CB-CG2 3.86Å; N176-V188 WeakPolarHBondContact ND2-CG1 3.46Å; V186-V188 HydrophobicContact CG1-CG2 4.24Å; V188-N190 PolarHBondContact O-N 2.8Å; V188-L191 PolarHBondContact N-O 2.97Å; V188-L191 PolarHBondContact O-N 2.81Å; V188-L191 VanDerWaalsContact O-O 3.13Å; V188-Y193 HydrophobicContact CB-CD2 4.13Å; V188-Y193 HydrophobicContact CB-CE2 3.81Å; V188-Y193 HydrophobicContact CG2-CD2 4.15Å; V188-Y193 HydrophobicContact CG2-CE2 4.27Å
189G93Very high93.3Very high66 Ų6657.9 Ų57.968%0.6831%0.31SS*.THydrogen-bonded Turntrans62.4-129.1-172.800000111.8I187 L191I187-G189 WeakPolarHBondContact CG2-O 3.49Å; G189-L191 VanDerWaalsContact C-N 3.32Å
190N93.6Very high92Very high87 Ų8761.1 Ų61.147%0.46533%0.329SS..THydrogen-bonded Turntrans-92.212.2178.966.2-27.1000113.5V188 C210 V211 I242V188-N190 PolarHBondContact O-N 2.8Å; N190-C210 CarbonylContact O-C 3.56Å; N190-C210 WeakPolarHBondContact O-CA 3.47Å; N190-V211 PolarHBondContact O-N 3.18Å; N190-I242 HydrophobicContact CB-CD1 3.9Å
191L95.6Very high90.7Very high22 Ų2262.4 Ų62.412%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-123.9156.8-179.4-62.9177.2000110.2V188 G189 Y193 L207 G209 I240V188-L191 PolarHBondContact N-O 2.97Å; V188-L191 PolarHBondContact O-N 2.81Å; V188-L191 VanDerWaalsContact O-O 3.13Å; G189-L191 VanDerWaalsContact C-N 3.32Å; L191-Y193 HydrophobicContact CB-CE2 3.81Å; L191-L207 HydrophobicContact CB-CD1 3.86Å; L191-L207 HydrophobicContact CD1-CD1 3.98Å; L191-L207 HydrophobicContact CD1-CD2 4.47Å; L191-L207 HydrophobicContact CD2-CD1 4.35Å; L191-L207 HydrophobicContact CG-CD1 4.28Å; L191-G209 WeakPolarHBondContact CA-O 3.39Å; L191-G209 WeakPolarHBondContact CD2-O 3.47Å; L191-I240 HydrophobicContact CD2-CB 4.32Å; L191-I240 HydrophobicContact CD2-CG2 3.92Å
192W95.9Very high90Very high20 Ų2058.1 Ų58.18%0.07632%0.318CS..EExtended strand (participates in β ladder)trans-130.5144.7172.370.6-79.5000111.5A185 V186 I187 M208 G209 C210 V211 R217 V218 D219A185-W192 HydrophobicContact CB-CE3 3.93Å; A185-W192 HydrophobicContact CB-CZ3 4.06Å; V186-W192 WeakPolarHBondContact O-CA 2.75Å; I187-W192 HydrophobicContact CG1-CB 4.05Å; W192-M208 HydrophobicContact CD2-CB 3.65Å; W192-M208 HydrophobicContact CD2-CG 4.49Å; W192-M208 VanDerWaalsContact CE2-CB 3.49Å; W192-M208 HydrophobicContact CE3-CB 3.53Å; W192-M208 HydrophobicContact CE3-CG 3.89Å; W192-M208 HydrophobicContact CH2-CB 3.2Å; W192-M208 HydrophobicContact CH2-CE 4.18Å; W192-M208 HydrophobicContact CH2-CG 3.69Å; W192-M208 HydrophobicContact CZ2-CB 3.27Å; W192-M208 HydrophobicContact CZ2-CG 4.26Å; W192-M208 HydrophobicContact CZ3-CB 3.33Å; W192-M208 HydrophobicContact CZ3-CG 3.46Å; W192-M208 VanDerWaalsContact CZ3-CG 3.46Å; W192-M208 PolarHBondContact O-N 3.46Å; W192-G209 PolarHBondContact N-O 3.28Å; W192-C210 PolarHBondContact NE1-O 2.97Å; W192-V211 HydrophobicContact CB-CG2 3.79Å; W192-V211 HydrophobicContact CG-CG2 4.25Å; W192-R217 HydrophobicContact CB-CG 4.3Å; W192-R217 HydrophobicContact CD2-CB 4.14Å; W192-R217 HydrophobicContact CD2-CG 4.01Å; W192-R217 HydrophobicContact CG-CB 4.2Å; W192-R217 HydrophobicContact CG-CG 3.88Å; W192-R217 HydrophobicContact CZ2-CB 4.43Å; W192-V218 PolarHBondContact NE1-O 2.84Å; W192-D219 VanDerWaalsContact CZ2-OD1 3.26Å; W192-D219 WeakPolarHBondContact CZ2-OD1 3.37Å
193Y95.4Very high89.9Confident40 Ų4057.1 Ų57.116%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-125.5151.8-171-58.2-100.9000109.1I175 A185 V186 V188 L191 V205 Q206 L207I175-Y193 HydrophobicContact CG2-CD1 4.42Å; I175-Y193 HydrophobicContact CG2-CD2 4.13Å; I175-Y193 HydrophobicContact CG2-CG 3.91Å; A185-Y193 CarbonylContact C-O 3.59Å; A185-Y193 WeakPolarHBondContact CA-O 3.25Å; A185-Y193 WeakPolarHBondContact CB-O 3.05Å; V186-Y193 PolarHBondContact N-O 2.78Å; V186-Y193 PolarHBondContact O-N 2.83Å; V188-Y193 HydrophobicContact CB-CD2 4.13Å; V188-Y193 HydrophobicContact CB-CE2 3.81Å; V188-Y193 HydrophobicContact CG2-CD2 4.15Å; V188-Y193 HydrophobicContact CG2-CE2 4.27Å; L191-Y193 HydrophobicContact CB-CE2 3.81Å; Y193-V205 HydrophobicContact CD1-CG1 3.97Å; Y193-Q206 CarbonylContact C-O 3.56Å; Y193-Q206 VanDerWaalsContact CA-O 3.23Å; Y193-Q206 WeakPolarHBondContact CA-O 3.2Å; Y193-L207 HydrophobicContact CD1-CB 4.02Å; Y193-L207 HydrophobicContact CD1-CD1 3.89Å; Y193-L207 HydrophobicContact CE1-CB 3.97Å; Y193-L207 HydrophobicContact CE1-CD1 3.51Å; Y193-L207 HydrophobicContact CE1-CG 4.2Å; Y193-L207 HydrophobicContact CE2-CD1 4.13Å; Y193-L207 HydrophobicContact CG-CD1 4.39Å
194K95Very high89.7Confident68 Ų6853 Ų5330%0.29630%0.295SS..EExtended strand (participates in β ladder)trans-124.2135.6175-173.7176.8-176.3177.40109.6H183 R184 A185 A196 Q206 M208H183-K194 WeakPolarHBondContact O-CE 3.29Å; R184-K194 WeakPolarHBondContact O-CA 3.49Å; R184-K194 WeakPolarHBondContact O-CG 3.08Å; A185-K194 HydrophobicContact CB-CB 4.31Å; A185-K194 HydrophobicContact CB-CG 4.49Å; K194-A196 PolarHBondContact O-N 2.83Å; K194-Q206 PolarHBondContact N-O 2.85Å; K194-Q206 PolarHBondContact O-N 3.47Å; K194-M208 HydrophobicContact CB-CG 3.54Å; K194-M208 HydrophobicContact CB-SD 4.05Å
195C95.4Very high89.5Confident0 Ų046.1 Ų46.10%027%0.273CS..EExtended strand (participates in β ladder)trans-80.7112.7164.1-173.10000107.8G172 C173 V180 H183 R184G172-C195 VanDerWaalsContact C-SG 3.51Å; C173-C195 HydrophobicContact CB-CB 3.63Å; C173-C195 WeakPolarHBondContact CB-SG 3.46Å; C173-C195 PolarHBondContact N-SG 2.05Å; C173-C195 WeakPolarHBondContact SG-CA 3.33Å; C173-C195 WeakPolarHBondContact SG-CB 3.38Å; C173-C195 CovalentContact SG-SG 2.05Å; C173-C195 PolarHBondContact SG-SG 3.08Å; V180-C195 HydrophobicContact CB-CB 4.38Å; V180-C195 HydrophobicContact CG1-CB 4.07Å; H183-C195 VanDerWaalsContact CA-O 3.25Å; H183-C195 WeakPolarHBondContact CA-O 3.37Å; H183-C195 PolarHBondContact N-O 3Å; R184-C195 PolarHBondContact O-N 2.96Å
196A92.7Very high89.3Confident8 Ų848.6 Ų48.67%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-115.2150-175.300000111.2K194 V203 S204 Q206K194-A196 PolarHBondContact O-N 2.83Å; A196-V203 CarbonylContact O-C 3.5Å; A196-V203 WeakPolarHBondContact O-CA 3.2Å; A196-S204 PolarHBondContact N-O 2.95Å; A196-S204 PolarHBondContact O-N 3.25Å; A196-Q206 VanDerWaalsContact CB-CD 3.42Å; A196-Q206 HydrophobicContact CB-CG 3.97Å
197R89.7Confident89.1Confident151 Ų15148.8 Ų48.857%0.5728%0.28SS*.EExtended strand (participates in β ladder)trans-70143.9166.5-72.9-169176.8167.53.3110V182 G202V182-R197 HydrophobicContact CG1-CG 3.48Å; V182-R197 VanDerWaalsContact CG1-CG 3.48Å; R197-G202 CarbonylContact C-O 3.49Å; R197-G202 WeakPolarHBondContact CA-O 3.39Å
198T83Confident89Confident37 Ų3748.1 Ų48.123%0.22728%0.276CS..EExtended strand (participates in β ladder)trans-132.9109.8175-490000108.8V27 G202 S204V27-T198 HydrophobicContact CG1-CG2 4.12Å; V27-T198 HydrophobicContact CG2-CG2 3.57Å; T198-G202 PolarHBondContact N-O 2.71Å; T198-G202 CarbonylContact O-C 3.57Å; T198-G202 VanDerWaalsContact O-CA 3.22Å; T198-G202 WeakPolarHBondContact O-CA 3.32Å; T198-G202 PolarHBondContact O-N 3.42Å; T198-G202 VanDerWaalsContact O-N 3.17Å; T198-S204 PolarHBondContact OG1-OG 3.12Å
199G75.5Confident89.1Confident66 Ų6646.7 Ų46.768%0.6827%0.267SS*.THydrogen-bonded Turntrans66.4-155.7-171.200000113.1
200I69.9Low89.3Confident164 Ų16443.5 Ų43.584%0.84124%0.235SC*.THydrogen-bonded Turntrans-69.8-39-170.9-59.3173.5000112.5
201A68.2Low89.5Confident38 Ų3840 Ų4031%0.31422%0.217SC..THydrogen-bonded Turntrans-139.54.3-171.200000114.6
202G82.1Confident89.4Confident1 Ų139.3 Ų39.31%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-88.5154.8178.200000111.9M28 R197 T198M28-G202 WeakPolarHBondContact O-CA 3.49Å; R197-G202 CarbonylContact C-O 3.49Å; R197-G202 WeakPolarHBondContact CA-O 3.39Å; T198-G202 PolarHBondContact N-O 2.71Å; T198-G202 CarbonylContact O-C 3.57Å; T198-G202 VanDerWaalsContact O-CA 3.22Å; T198-G202 WeakPolarHBondContact O-CA 3.32Å; T198-G202 PolarHBondContact O-N 3.42Å; T198-G202 VanDerWaalsContact O-N 3.17Å
203V89.7Confident89.1Confident6 Ų646.2 Ų46.24%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-128.7150.1165.8-54.30000108.6V155 A170 V182 A196V155-V203 HydrophobicContact CB-CG2 4.33Å; V155-V203 HydrophobicContact CG1-CG2 3.48Å; V155-V203 VanDerWaalsContact CG1-CG2 3.48Å; V155-V203 HydrophobicContact CG2-CG2 3.96Å; A170-V203 HydrophobicContact CB-CB 4.29Å; A170-V203 HydrophobicContact CB-CG1 3.72Å; A170-V203 HydrophobicContact CB-CG2 3.71Å; V182-V203 HydrophobicContact CG2-CB 4.28Å; V182-V203 HydrophobicContact CG2-CG1 3.45Å; V182-V203 VanDerWaalsContact CG2-CG1 3.45Å; A196-V203 CarbonylContact O-C 3.5Å; A196-V203 WeakPolarHBondContact O-CA 3.2Å
204S90.2Very high88.9Confident18 Ų1849.8 Ų49.813%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-144.2153175.8610000111.1A196 T198A196-S204 PolarHBondContact N-O 2.95Å; A196-S204 PolarHBondContact O-N 3.25Å; T198-S204 PolarHBondContact OG1-OG 3.12Å
205V91.9Very high88.8Confident31 Ų3148.4 Ų48.419%0.18827%0.273CS..EExtended strand (participates in β ladder)trans-79.9125.8169.2-179.90000108C173 I175 Y193C173-V205 HydrophobicContact CB-CG2 3.65Å; I175-V205 HydrophobicContact CD1-CG1 3.83Å; I175-V205 HydrophobicContact CD1-CG2 4.14Å; I175-V205 HydrophobicContact CG1-CB 4.43Å; I175-V205 HydrophobicContact CG1-CG1 3.85Å; I175-V205 HydrophobicContact CG1-CG2 3.69Å; I175-V205 HydrophobicContact CG2-CG1 4.45Å; Y193-V205 HydrophobicContact CD1-CG1 3.97Å
206Q91.4Very high88.8Confident77 Ų7754 Ų5436%0.3629%0.294SS..EExtended strand (participates in β ladder)trans-115.4124.7175.6-65.3-174.8-14.700109.2Y193 K194 A196 M208Y193-Q206 CarbonylContact C-O 3.56Å; Y193-Q206 VanDerWaalsContact CA-O 3.23Å; Y193-Q206 WeakPolarHBondContact CA-O 3.2Å; K194-Q206 PolarHBondContact N-O 2.85Å; K194-Q206 PolarHBondContact O-N 3.47Å; A196-Q206 VanDerWaalsContact CB-CD 3.42Å; A196-Q206 HydrophobicContact CB-CG 3.97Å; Q206-M208 HydrophobicContact CB-SD 3.76Å; Q206-M208 PolarHBondContact O-N 3.48Å
207L92.7Very high89Confident26 Ų2659.2 Ų59.214%0.13631%0.313CS..EExtended strand (participates in β ladder)trans-76.3118167.7176.460.8000108.2Y21 L191 Y193 I240Y21-L207 WeakPolarHBondContact OH-CB 3.16Å; L191-L207 HydrophobicContact CB-CD1 3.86Å; L191-L207 HydrophobicContact CD1-CD1 3.98Å; L191-L207 HydrophobicContact CD1-CD2 4.47Å; L191-L207 HydrophobicContact CD2-CD1 4.35Å; L191-L207 HydrophobicContact CG-CD1 4.28Å; Y193-L207 HydrophobicContact CD1-CB 4.02Å; Y193-L207 HydrophobicContact CD1-CD1 3.89Å; Y193-L207 HydrophobicContact CE1-CB 3.97Å; Y193-L207 HydrophobicContact CE1-CD1 3.51Å; Y193-L207 HydrophobicContact CE1-CG 4.2Å; Y193-L207 HydrophobicContact CE2-CD1 4.13Å; Y193-L207 HydrophobicContact CG-CD1 4.39Å; L207-I240 HydrophobicContact CB-CD1 4.42Å; L207-I240 HydrophobicContact CD2-CB 3.93Å; L207-I240 HydrophobicContact CD2-CD1 3.65Å; L207-I240 HydrophobicContact CD2-CG1 4.12Å; L207-I240 HydrophobicContact CG-CB 4.43Å; L207-I240 HydrophobicContact CG-CD1 3.54Å; L207-I240 HydrophobicContact CG-CG1 4.48Å
208M94.3Very high89.3Confident54 Ų5452.2 Ų52.227%0.26629%0.287SS..EExtended strand (participates in β ladder)trans-104.8-23.7-167.8-64.3-57.1-64.100113.8W192 K194 Q206 V220W192-M208 HydrophobicContact CD2-CB 3.65Å; W192-M208 HydrophobicContact CD2-CG 4.49Å; W192-M208 VanDerWaalsContact CE2-CB 3.49Å; W192-M208 HydrophobicContact CE3-CB 3.53Å; W192-M208 HydrophobicContact CE3-CG 3.89Å; W192-M208 HydrophobicContact CH2-CB 3.2Å; W192-M208 HydrophobicContact CH2-CE 4.18Å; W192-M208 HydrophobicContact CH2-CG 3.69Å; W192-M208 HydrophobicContact CZ2-CB 3.27Å; W192-M208 HydrophobicContact CZ2-CG 4.26Å; W192-M208 HydrophobicContact CZ3-CB 3.33Å; W192-M208 HydrophobicContact CZ3-CG 3.46Å; W192-M208 VanDerWaalsContact CZ3-CG 3.46Å; W192-M208 PolarHBondContact O-N 3.46Å; K194-M208 HydrophobicContact CB-CG 3.54Å; K194-M208 HydrophobicContact CB-SD 4.05Å; Q206-M208 HydrophobicContact CB-SD 3.76Å; Q206-M208 PolarHBondContact O-N 3.48Å; M208-V220 WeakPolarHBondContact O-CG2 3.45Å; M208-V220 PolarHBondContact O-N 3.35Å
209G96.5Very high90Very high0 Ų054.6 Ų54.60%030%0.298CS..EExtended strand (participates in β ladder)trans160.1-154.3178.700000113.2L191 W192 V218L191-G209 WeakPolarHBondContact CA-O 3.39Å; L191-G209 WeakPolarHBondContact CD2-O 3.47Å; W192-G209 PolarHBondContact N-O 3.28Å; G209-V218 CarbonylContact C-O 3.59Å; G209-V218 WeakPolarHBondContact CA-O 2.89Å
210C97.4Very high90.9Very high0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-108.2162.7-170.2-530000111N190 W192 V218 C233 I240 I242N190-C210 CarbonylContact O-C 3.56Å; N190-C210 WeakPolarHBondContact O-CA 3.47Å; W192-C210 PolarHBondContact NE1-O 2.97Å; C210-V218 PolarHBondContact N-O 2.77Å; C210-V218 PolarHBondContact O-N 2.86Å; C210-C233 HydrophobicContact CB-CB 3.69Å; C210-C233 WeakPolarHBondContact CB-SG 3.48Å; C210-C233 PolarHBondContact N-SG 2.8Å; C210-C233 WeakPolarHBondContact SG-CA 3.49Å; C210-C233 WeakPolarHBondContact SG-CB 3.3Å; C210-C233 CovalentContact SG-SG 2.05Å; C210-C233 PolarHBondContact SG-SG 3.17Å; C210-I240 WeakPolarHBondContact SG-CG2 3.24Å; C210-I242 HydrophobicContact CB-CD1 4Å; C210-I242 HydrophobicContact CB-CG1 3.64Å
211V96.4Very high92.1Very high14 Ų1448.5 Ų48.59%0.08526%0.263CS..EExtended strand (participates in β ladder)trans-119.7123.3175.7-178.10000107.9I187 N190 W192 R216I187-V211 HydrophobicContact CB-CG2 4.4Å; I187-V211 HydrophobicContact CD1-CG1 4.06Å; I187-V211 HydrophobicContact CD1-CG2 4.16Å; I187-V211 HydrophobicContact CG1-CG2 3.89Å; I187-V211 HydrophobicContact CG2-CB 4.41Å; I187-V211 HydrophobicContact CG2-CG1 4.23Å; I187-V211 HydrophobicContact CG2-CG2 3.86Å; N190-V211 PolarHBondContact O-N 3.18Å; W192-V211 HydrophobicContact CB-CG2 3.79Å; W192-V211 HydrophobicContact CG-CG2 4.25Å; V211-R216 WeakPolarHBondContact CA-O 3.22Å
212A94.5Very high93.5Very high6 Ų654.8 Ų54.85%0.0528%0.278CS..  trans-72.8164174.700000110.5D214 G215 R216 V218 F224A212-D214 WeakPolarHBondContact CB-OD1 3.44Å; A212-D214 PolarHBondContact O-N 2.05Å; A212-D214 VanDerWaalsContact O-N 3.15Å; A212-G215 WeakPolarHBondContact O-CA 3.44Å; A212-G215 PolarHBondContact O-N 3.25Å; A212-R216 HydrophobicContact CB-CB 4.48Å; A212-R216 PolarHBondContact N-O 2.83Å; A212-V218 HydrophobicContact CB-CG2 4.27Å; A212-F224 HydrophobicContact CB-CD2 3.48Å; A212-F224 VanDerWaalsContact CB-CD2 3.48Å; A212-F224 HydrophobicContact CB-CE2 3.69Å; A212-F224 HydrophobicContact CB-CG 4.28Å
213Q90Very high94.2Very high166 Ų16658 Ų5878%0.77630%0.298SS*.THydrogen-bonded Turntrans-62-24.2-175.9-170.6177.25.100113.6G215 M226Q213-G215 PolarHBondContact O-N 2.79Å; Q213-M226 HydrophobicContact CB-CE 3.93Å
214D90.7Very high94.5Very high114 Ų11458 Ų5861%0.6130%0.298SS*.THydrogen-bonded Turntrans-77.1117364.3-5.7000113.5A212 R216A212-D214 WeakPolarHBondContact CB-OD1 3.44Å; A212-D214 PolarHBondContact O-N 2.05Å; A212-D214 VanDerWaalsContact O-N 3.15Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 PolarHBondContact OD1-N 3.18Å; D214-R216 IonicContact OD2-NE 3.82Å
215G92.7Very high94.8Very high39 Ų3962.3 Ų62.340%0.40231%0.311SS..SBendtrans82.41.7-176.500000114.3A212 Q213A212-G215 WeakPolarHBondContact O-CA 3.44Å; A212-G215 PolarHBondContact O-N 3.25Å; Q213-G215 PolarHBondContact O-N 2.79Å
216R95Very high94.8Very high117 Ų11763.4 Ų63.444%0.44232%0.315SS..  trans-72.6135.9-179.8-174.9170.656.294.91.3111.2V211 A212 D214V211-R216 WeakPolarHBondContact CA-O 3.22Å; A212-R216 HydrophobicContact CB-CB 4.48Å; A212-R216 PolarHBondContact N-O 2.83Å; D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 PolarHBondContact OD1-N 3.18Å; D214-R216 IonicContact OD2-NE 3.82Å
217R96.7Very high94.8Very high119 Ų11962.9 Ų62.945%0.44933%0.33SS..EExtended strand (participates in β ladder)trans-76.8131.7174.3-64174.1-174.8167.2-1.9110.3A185 I187 W192A185-R217 PolarHBondContact O-NH2 3.35Å; I187-R217 HydrophobicContact CD1-CG 4.5Å; W192-R217 HydrophobicContact CB-CG 4.3Å; W192-R217 HydrophobicContact CD2-CB 4.14Å; W192-R217 HydrophobicContact CD2-CG 4.01Å; W192-R217 HydrophobicContact CG-CB 4.2Å; W192-R217 HydrophobicContact CG-CG 3.88Å; W192-R217 HydrophobicContact CZ2-CB 4.43Å
218V97.3Very high94.9Very high4 Ų466.7 Ų66.72%0.02435%0.351CS..EExtended strand (participates in β ladder)trans-123.4120179.7-176.40000108.2W192 G209 C210 A212 R222 F224 C233W192-V218 PolarHBondContact NE1-O 2.84Å; G209-V218 CarbonylContact C-O 3.59Å; G209-V218 WeakPolarHBondContact CA-O 2.89Å; C210-V218 PolarHBondContact N-O 2.77Å; C210-V218 PolarHBondContact O-N 2.86Å; A212-V218 HydrophobicContact CB-CG2 4.27Å; V218-R222 HydrophobicContact CG1-CB 3.74Å; V218-F224 HydrophobicContact CB-CD1 4.25Å; V218-F224 HydrophobicContact CG1-CD1 3.8Å; V218-F224 HydrophobicContact CG1-CE1 4.37Å; V218-F224 HydrophobicContact CG2-CB 4.08Å; V218-F224 HydrophobicContact CG2-CD1 3.92Å; V218-F224 HydrophobicContact CG2-CE1 4.47Å; V218-F224 HydrophobicContact CG2-CG 3.97Å; V218-C233 HydrophobicContact CG1-CB 4.13Å
219D96.6Very high95Very high87 Ų8766.7 Ų66.747%0.46535%0.349SS..EExtended strand (participates in β ladder)trans-67.1153.7177.3-62.9-12.6000111.2W192 G221 R222W192-D219 VanDerWaalsContact CZ2-OD1 3.26Å; W192-D219 WeakPolarHBondContact CZ2-OD1 3.37Å; D219-G221 PolarHBondContact O-N 3.48Å; D219-R222 HydrophobicContact CB-CG 4.05Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 3.35Å; D219-R222 VanDerWaalsContact O-N 3.12Å
220V95.3Very high95.1Very high61 Ų6167 Ų6737%0.3735%0.351SS..THydrogen-bonded Turntrans-53.4137.4172.4-1780000111.1M208 R222 A235 I240M208-V220 WeakPolarHBondContact O-CG2 3.45Å; M208-V220 PolarHBondContact O-N 3.35Å; V220-R222 PolarHBondContact O-N 2.88Å; V220-A235 HydrophobicContact CG1-CB 3.82Å; V220-I240 HydrophobicContact CG2-CD1 3.29Å; V220-I240 HydrophobicContact CG2-CG1 3.81Å; V220-I240 HydrophobicContact CG2-CG2 4.47Å
221G95.3Very high95.1Very high40 Ų4069.5 Ų69.541%0.41236%0.361SS..THydrogen-bonded Turntrans85.9-14.9-179.400000114D219 K232 C233D219-G221 PolarHBondContact O-N 3.48Å; G221-K232 WeakPolarHBondContact O-CE 3.36Å; G221-C233 WeakPolarHBondContact CA-O 3.34Å; G221-C233 PolarHBondContact N-O 3.48Å
222R97.5Very high95.1Very high170 Ų17072.9 Ų72.964%0.64237%0.374SS*.  trans-83.6153.2177.8-59.3-63.6-175.2172.2-0.6111.8V218 D219 V220 C233V218-R222 HydrophobicContact CG1-CB 3.74Å; D219-R222 HydrophobicContact CB-CG 4.05Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 3.35Å; D219-R222 VanDerWaalsContact O-N 3.12Å; V220-R222 PolarHBondContact O-N 2.88Å; R222-C233 PolarHBondContact O-N 2.72Å
223T96.7Very high95.3Very high70 Ų7072.6 Ų72.643%0.42937%0.372SS..EExtended strand (participates in β ladder)trans-102.4160.4174.254.50000111.5V230 Y231 K232 A245T223-V230 HydrophobicContact CG2-CG1 4.09Å; T223-Y231 CarbonylContact C-O 3.57Å; T223-Y231 WeakPolarHBondContact CA-O 3.45Å; T223-Y231 VanDerWaalsContact CB-O 3.27Å; T223-Y231 WeakPolarHBondContact CB-O 2.97Å; T223-K232 HydrophobicContact CG2-CB 4.04Å; T223-K232 HydrophobicContact CG2-CD 4.45Å; T223-K232 HydrophobicContact CG2-CG 4.16Å; T223-A245 HydrophobicContact CG2-CB 4.48Å
224F96.5Very high95.6Very high5 Ų567.7 Ų67.72%0.02235%0.348CS..EExtended strand (participates in β ladder)trans-154.5157.6174.960.5-75.9000110A212 V218 M226 Y231 I242A212-F224 HydrophobicContact CB-CD2 3.48Å; A212-F224 VanDerWaalsContact CB-CD2 3.48Å; A212-F224 HydrophobicContact CB-CE2 3.69Å; A212-F224 HydrophobicContact CB-CG 4.28Å; V218-F224 HydrophobicContact CB-CD1 4.25Å; V218-F224 HydrophobicContact CG1-CD1 3.8Å; V218-F224 HydrophobicContact CG1-CE1 4.37Å; V218-F224 HydrophobicContact CG2-CB 4.08Å; V218-F224 HydrophobicContact CG2-CD1 3.92Å; V218-F224 HydrophobicContact CG2-CE1 4.47Å; V218-F224 HydrophobicContact CG2-CG 3.97Å; F224-M226 HydrophobicContact CD2-CG 3.99Å; F224-M226 HydrophobicContact CD2-SD 4.27Å; F224-M226 HydrophobicContact CE2-CG 3.86Å; F224-M226 HydrophobicContact CE2-SD 3.52Å; F224-M226 VanDerWaalsContact CE2-SD 3.52Å; F224-M226 HydrophobicContact CZ-SD 4.39Å; F224-Y231 PolarHBondContact N-O 2.85Å; F224-Y231 PolarHBondContact O-N 3.32Å; F224-I242 HydrophobicContact CE1-CG2 4.23Å; F224-I242 HydrophobicContact CZ-CB 4.47Å; F224-I242 HydrophobicContact CZ-CD1 4.02Å; F224-I242 HydrophobicContact CZ-CG1 4.04Å; F224-I242 HydrophobicContact CZ-CG2 3.62Å
225R95Very high95.8Very high109 Ų10964.8 Ų64.841%0.41134%0.34SS..EExtended strand (participates in β ladder)trans-94.6141.6-179.9-62.5179.8179.5-177.4-5.1110.7F229 V248 S255 D257R225-F229 WeakPolarHBondContact CA-O 3.42Å; R225-V248 HydrophobicContact CB-CG2 4.37Å; R225-V248 HydrophobicContact CG-CG2 3.81Å; R225-S255 PolarHBondContact NH1-OG 3.07Å; R225-S255 PolarHBondContact NH2-O 2.86Å; R225-D257 IonicContact CZ-OD1 2.69Å; R225-D257 IonicContact NE-OD1 2.7Å; R225-D257 PolarHBondContact NE-OD1 2.82Å; R225-D257 IonicContact NE-OD2 3.08Å; R225-D257 IonicContact NH2-OD1 2.77Å; R225-D257 PolarHBondContact NH2-OD1 2.94Å
226M92.7Very high95.7Very high54 Ų5468 Ų6827%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-138.9109.2162.8-62.5172.551.900107.8Q213 F224 D228 F229 Y231Q213-M226 HydrophobicContact CB-CE 3.93Å; F224-M226 HydrophobicContact CD2-CG 3.99Å; F224-M226 HydrophobicContact CD2-SD 4.27Å; F224-M226 HydrophobicContact CE2-CG 3.86Å; F224-M226 HydrophobicContact CE2-SD 3.52Å; F224-M226 VanDerWaalsContact CE2-SD 3.52Å; F224-M226 HydrophobicContact CZ-SD 4.39Å; M226-D228 PolarHBondContact O-N 3.1Å; M226-F229 PolarHBondContact N-O 3.1Å; M226-F229 PolarHBondContact O-N 2.71Å; M226-Y231 HydrophobicContact CB-CD2 3.84Å; M226-Y231 HydrophobicContact CB-CE2 3.62Å; M226-Y231 HydrophobicContact CG-CD2 4.06Å; M226-Y231 HydrophobicContact CG-CE2 4.26Å; M226-Y231 HydrophobicContact SD-CD2 4.14Å; M226-Y231 HydrophobicContact SD-CE2 4.29Å; M226-Y231 HydrophobicContact SD-CG 4.46Å
227G91.6Very high95.2Very high65 Ų6566.4 Ų66.467%0.6736%0.36SS*.THydrogen-bonded Turntrans59.2-131.9-171.300000111.8F229G227-F229 PolarHBondContact O-N 2.92Å
228D94.4Very high94.5Very high107 Ų10765 Ų6557%0.57237%0.368SS*.THydrogen-bonded Turntrans-85.212.6-175.1-58.9-39.9000114.1M226 V248 Q287M226-D228 PolarHBondContact O-N 3.1Å; D228-V248 PolarHBondContact O-N 3.47Å; D228-Q287 PolarHBondContact O-NE2 3.27Å; D228-Q287 VanDerWaalsContact O-NE2 3.09Å
229F97.3Very high94.1Very high54 Ų5467.6 Ų67.624%0.23739%0.386CS..EExtended strand (participates in β ladder)trans-129.8150.6-174.5-58.4-72.8000113R225 M226 G227 Y231 L244 A285R225-F229 WeakPolarHBondContact CA-O 3.42Å; M226-F229 PolarHBondContact N-O 3.1Å; M226-F229 PolarHBondContact O-N 2.71Å; G227-F229 PolarHBondContact O-N 2.92Å; F229-Y231 HydrophobicContact CB-CD2 4.39Å; F229-Y231 HydrophobicContact CB-CE2 3.71Å; F229-L244 HydrophobicContact CB-CD2 3.68Å; F229-L244 HydrophobicContact CD1-CD2 4.26Å; F229-L244 HydrophobicContact CG-CD2 3.99Å; F229-A285 HydrophobicContact CD1-CB 3.61Å; F229-A285 HydrophobicContact CE1-CB 3.6Å; F229-A285 VanDerWaalsContact CE1-O 3.29Å; F229-A285 WeakPolarHBondContact CE1-O 3.46Å; F229-A285 WeakPolarHBondContact CZ-O 3.04Å
230V97.7Very high94Very high7 Ų764.6 Ų64.64%0.04237%0.37CS..EExtended strand (participates in β ladder)trans-100.8127.4173.4-175.60000107.4T223 A245 G246 V248 D257T223-V230 HydrophobicContact CG2-CG1 4.09Å; V230-A245 HydrophobicContact CG1-CB 4.39Å; V230-A245 WeakPolarHBondContact O-CA 3.44Å; V230-A245 PolarHBondContact O-N 2.89Å; V230-G246 PolarHBondContact N-O 2.84Å; V230-G246 PolarHBondContact O-N 3.45Å; V230-G246 VanDerWaalsContact O-N 3.11Å; V230-V248 HydrophobicContact CG2-CG2 3.71Å; V230-D257 HydrophobicContact CG2-CB 3.8Å
231Y97.6Very high93.9Very high51 Ų5164 Ų6420%0.236%0.363CS..EExtended strand (participates in β ladder)trans-109.7156.5175.1-67.6-96.2000110T223 F224 M226 F229 I242 V243 L244T223-Y231 CarbonylContact C-O 3.57Å; T223-Y231 WeakPolarHBondContact CA-O 3.45Å; T223-Y231 VanDerWaalsContact CB-O 3.27Å; T223-Y231 WeakPolarHBondContact CB-O 2.97Å; F224-Y231 PolarHBondContact N-O 2.85Å; F224-Y231 PolarHBondContact O-N 3.32Å; M226-Y231 HydrophobicContact CB-CD2 3.84Å; M226-Y231 HydrophobicContact CB-CE2 3.62Å; M226-Y231 HydrophobicContact CG-CD2 4.06Å; M226-Y231 HydrophobicContact CG-CE2 4.26Å; M226-Y231 HydrophobicContact SD-CD2 4.14Å; M226-Y231 HydrophobicContact SD-CE2 4.29Å; M226-Y231 HydrophobicContact SD-CG 4.46Å; F229-Y231 HydrophobicContact CB-CD2 4.39Å; F229-Y231 HydrophobicContact CB-CE2 3.71Å; Y231-I242 HydrophobicContact CD1-CG2 3.66Å; Y231-I242 HydrophobicContact CG-CG2 4.11Å; Y231-V243 CarbonylContact C-O 3.48Å; Y231-V243 WeakPolarHBondContact CA-O 3.14Å; Y231-L244 HydrophobicContact CD1-CD2 4.06Å; Y231-L244 HydrophobicContact CD1-CG 4.21Å; Y231-L244 HydrophobicContact CE1-CD2 3.52Å; Y231-L244 HydrophobicContact CE1-CG 3.72Å; Y231-L244 HydrophobicContact CE2-CD2 4.02Å; Y231-L244 VanDerWaalsContact CZ-CD2 3.5Å
232K97.3Very high93.9Very high85 Ų8564.2 Ų64.237%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-126135.2175.5-173.5171.8-175.4173.30110G221 T223 K234 V243 A245G221-K232 WeakPolarHBondContact O-CE 3.36Å; T223-K232 HydrophobicContact CG2-CB 4.04Å; T223-K232 HydrophobicContact CG2-CD 4.45Å; T223-K232 HydrophobicContact CG2-CG 4.16Å; K232-K234 PolarHBondContact O-N 2.78Å; K232-V243 HydrophobicContact CB-CG2 4.17Å; K232-V243 PolarHBondContact N-O 3.27Å; K232-V243 PolarHBondContact O-N 2.9Å; K232-A245 HydrophobicContact CB-CB 3.75Å
233C97.5Very high93.8Very high0 Ų056.6 Ų56.60%033%0.327CS..EExtended strand (participates in β ladder)trans-78.4102.6167.2-168.30000108.8C210 V218 G221 R222 I240C210-C233 HydrophobicContact CB-CB 3.69Å; C210-C233 WeakPolarHBondContact CB-SG 3.48Å; C210-C233 PolarHBondContact N-SG 2.8Å; C210-C233 WeakPolarHBondContact SG-CA 3.49Å; C210-C233 WeakPolarHBondContact SG-CB 3.3Å; C210-C233 CovalentContact SG-SG 2.05Å; C210-C233 PolarHBondContact SG-SG 3.17Å; V218-C233 HydrophobicContact CG1-CB 4.13Å; G221-C233 WeakPolarHBondContact CA-O 3.34Å; G221-C233 PolarHBondContact N-O 3.48Å; R222-C233 PolarHBondContact O-N 2.72Å; C233-I240 WeakPolarHBondContact SG-CG2 3.38Å
234K96.4Very high93.9Very high64 Ų6454.1 Ų54.128%0.27831%0.311SS..EExtended strand (participates in β ladder)trans-111132-170.3-172176.7178.4-177.70110.7K232 I240 E241 V243 E282K232-K234 PolarHBondContact O-N 2.78Å; K234-I240 WeakPolarHBondContact O-CA 2.96Å; K234-E241 PolarHBondContact N-O 2.88Å; K234-E241 PolarHBondContact O-N 2.93Å; K234-V243 HydrophobicContact CB-CG2 3.82Å; K234-V243 HydrophobicContact CD-CG2 4Å; K234-E282 WeakPolarHBondContact CD-OE1 3.5Å; K234-E282 IonicContact NZ-OE1 3.82Å; K234-E282 PolarHBondContact NZ-OE1 2.76Å; K234-E282 IonicContact NZ-OE2 2.77Å; K234-E282 PolarHBondContact NZ-OE2 2.89Å
235A94.2Very high94Very high52 Ų5255.1 Ų55.143%0.4332%0.32SS..EExtended strand (participates in β ladder)trans-78.9134.2168.700000110.4V220 S239 I240V220-A235 HydrophobicContact CG1-CB 3.82Å; A235-S239 CarbonylContact C-O 3.57Å; A235-S239 WeakPolarHBondContact CA-O 3.32Å; A235-I240 HydrophobicContact CB-CG1 4.29Å
236R90.5Very high94.1Very high108 Ų10850 Ų5041%0.40830%0.3SS..EExtended strand (participates in β ladder)trans-127.398.8169.2-80-160.6176.21493.9108.9S238 S239 E241 E282R236-S238 PolarHBondContact O-N 3Å; R236-S239 PolarHBondContact N-O 3.26Å; R236-S239 PolarHBondContact O-N 3.17Å; R236-S239 PolarHBondContact O-OG 2.84Å; R236-E241 WeakPolarHBondContact CD-OE1 3.43Å; R236-E241 HydrophobicContact CG-CG 4.37Å; R236-E241 IonicContact CZ-OE1 3.99Å; R236-E241 IonicContact CZ-OE2 2.84Å; R236-E241 IonicContact NE-OE1 3.26Å; R236-E241 PolarHBondContact NE-OE1 3.35Å; R236-E241 IonicContact NE-OE2 2.98Å; R236-E241 VanDerWaalsContact NH1-CD 3.32Å; R236-E241 IonicContact NH1-OE1 2.75Å; R236-E241 PolarHBondContact NH1-OE1 2.03Å; R236-E241 IonicContact NH1-OE2 3.52Å; R236-E241 PolarHBondContact NH1-OE2 3.23Å; R236-E241 IonicContact NH2-OE1 2.93Å; R236-E241 PolarHBondContact NH2-OE1 3.29Å; R236-E282 IonicContact CZ-OE2 3.01Å; R236-E282 IonicContact NH2-OE2 2.56Å; R236-E282 PolarHBondContact NH2-OE2 3.17Å
237G86.1Confident94.4Very high83 Ų8347.4 Ų47.486%0.85629%0.288SS*.THydrogen-bonded Turntrans59.9-117.8-174.400000110.8
238S81.6Confident94.6Very high90 Ų9045.1 Ų45.163%0.62926%0.261SS*.THydrogen-bonded Turntrans-89.2-3176.654.20000114.5Y21 R236Y21-S238 WeakPolarHBondContact CE1-O 3.38Å; R236-S238 PolarHBondContact O-N 3Å
239S88.4Confident94.6Very high57 Ų5740.1 Ų40.140%0.39923%0.234SC..EExtended strand (participates in β ladder)trans-107.3159.1-177.970.60000112A235 R236A235-S239 CarbonylContact C-O 3.57Å; A235-S239 WeakPolarHBondContact CA-O 3.32Å; R236-S239 PolarHBondContact N-O 3.26Å; R236-S239 PolarHBondContact O-N 3.17Å; R236-S239 PolarHBondContact O-OG 2.84Å
240I94.1Very high94.4Very high25 Ų2542.1 Ų42.113%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-126.3136.6172.6-74.3151.5000108.5L191 L207 C210 V220 C233 K234 A235L191-I240 HydrophobicContact CD2-CB 4.32Å; L191-I240 HydrophobicContact CD2-CG2 3.92Å; L207-I240 HydrophobicContact CB-CD1 4.42Å; L207-I240 HydrophobicContact CD2-CB 3.93Å; L207-I240 HydrophobicContact CD2-CD1 3.65Å; L207-I240 HydrophobicContact CD2-CG1 4.12Å; L207-I240 HydrophobicContact CG-CB 4.43Å; L207-I240 HydrophobicContact CG-CD1 3.54Å; L207-I240 HydrophobicContact CG-CG1 4.48Å; C210-I240 WeakPolarHBondContact SG-CG2 3.24Å; V220-I240 HydrophobicContact CG2-CD1 3.29Å; V220-I240 HydrophobicContact CG2-CG1 3.81Å; V220-I240 HydrophobicContact CG2-CG2 4.47Å; C233-I240 WeakPolarHBondContact SG-CG2 3.38Å; K234-I240 WeakPolarHBondContact O-CA 2.96Å; A235-I240 HydrophobicContact CB-CG1 4.29Å
241E93.6Very high94Very high47 Ų4743.5 Ų43.522%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-135155.6-178.551.9170.8-149.500110.7K234 R236 V243K234-E241 PolarHBondContact N-O 2.88Å; K234-E241 PolarHBondContact O-N 2.93Å; R236-E241 WeakPolarHBondContact CD-OE1 3.43Å; R236-E241 HydrophobicContact CG-CG 4.37Å; R236-E241 IonicContact CZ-OE1 3.99Å; R236-E241 IonicContact CZ-OE2 2.84Å; R236-E241 IonicContact NE-OE1 3.26Å; R236-E241 PolarHBondContact NE-OE1 3.35Å; R236-E241 IonicContact NE-OE2 2.98Å; R236-E241 VanDerWaalsContact NH1-CD 3.32Å; R236-E241 IonicContact NH1-OE1 2.75Å; R236-E241 PolarHBondContact NH1-OE1 2.03Å; R236-E241 IonicContact NH1-OE2 3.52Å; R236-E241 PolarHBondContact NH1-OE2 3.23Å; R236-E241 IonicContact NH2-OE1 2.93Å; R236-E241 PolarHBondContact NH2-OE1 3.29Å; E241-V243 HydrophobicContact CG-CG1 3.95Å; E241-V243 WeakPolarHBondContact OE1-CG1 3.44Å
242I95.4Very high93.4Very high46 Ų4648.6 Ų48.624%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-92.4120.3169.8-63.2170.5000107N190 C210 F224 Y231N190-I242 HydrophobicContact CB-CD1 3.9Å; C210-I242 HydrophobicContact CB-CD1 4Å; C210-I242 HydrophobicContact CB-CG1 3.64Å; F224-I242 HydrophobicContact CE1-CG2 4.23Å; F224-I242 HydrophobicContact CZ-CB 4.47Å; F224-I242 HydrophobicContact CZ-CD1 4.02Å; F224-I242 HydrophobicContact CZ-CG1 4.04Å; F224-I242 HydrophobicContact CZ-CG2 3.62Å; Y231-I242 HydrophobicContact CD1-CG2 3.66Å; Y231-I242 HydrophobicContact CG-CG2 4.11Å
243V96.3Very high92.9Very high9 Ų947.5 Ų47.56%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-121.9153.1177.8-64.50000111.2Y231 K232 K234 E241 E282Y231-V243 CarbonylContact C-O 3.48Å; Y231-V243 WeakPolarHBondContact CA-O 3.14Å; K232-V243 HydrophobicContact CB-CG2 4.17Å; K232-V243 PolarHBondContact N-O 3.27Å; K232-V243 PolarHBondContact O-N 2.9Å; K234-V243 HydrophobicContact CB-CG2 3.82Å; K234-V243 HydrophobicContact CD-CG2 4Å; E241-V243 HydrophobicContact CG-CG1 3.95Å; E241-V243 WeakPolarHBondContact OE1-CG1 3.44Å; V243-E282 HydrophobicContact CB-CB 4Å; V243-E282 HydrophobicContact CB-CG 4.33Å; V243-E282 HydrophobicContact CG1-CB 4.29Å; V243-E282 HydrophobicContact CG2-CG 4.42Å
244L97.9Very high92.6Very high19 Ų1953.5 Ų53.510%0.09932%0.321CS..EExtended strand (participates in β ladder)trans-64.7138167.6-78.1161.9000109.6F229 Y231 F260 E282 A285F229-L244 HydrophobicContact CB-CD2 3.68Å; F229-L244 HydrophobicContact CD1-CD2 4.26Å; F229-L244 HydrophobicContact CG-CD2 3.99Å; Y231-L244 HydrophobicContact CD1-CD2 4.06Å; Y231-L244 HydrophobicContact CD1-CG 4.21Å; Y231-L244 HydrophobicContact CE1-CD2 3.52Å; Y231-L244 HydrophobicContact CE1-CG 3.72Å; Y231-L244 HydrophobicContact CE2-CD2 4.02Å; Y231-L244 VanDerWaalsContact CZ-CD2 3.5Å; L244-F260 HydrophobicContact CB-CZ 3.96Å; L244-F260 WeakPolarHBondContact O-CE2 3.44Å; L244-E282 PolarHBondContact N-O 3.48Å; L244-E282 WeakPolarHBondContact O-CA 3.17Å; L244-A285 HydrophobicContact CD1-CB 3.97Å; L244-A285 HydrophobicContact CD2-CB 4.09Å; L244-A285 HydrophobicContact CG-CB 4.46Å
245A97.8Very high92.5Very high26 Ų2653.2 Ų53.222%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-127.2-14.7-178.600000112.8T223 V230 K232T223-A245 HydrophobicContact CG2-CB 4.48Å; V230-A245 HydrophobicContact CG1-CB 4.39Å; V230-A245 WeakPolarHBondContact O-CA 3.44Å; V230-A245 PolarHBondContact O-N 2.89Å; K232-A245 HydrophobicContact CB-CB 3.75Å
246G98Very high92.6Very high0 Ų054 Ų540%032%0.321CS..EExtended strand (participates in β ladder)trans167.2-162.8179.400000113.3V230 F258V230-G246 PolarHBondContact N-O 2.84Å; V230-G246 PolarHBondContact O-N 3.45Å; V230-G246 VanDerWaalsContact O-N 3.11Å; G246-F258 CarbonylContact C-O 3.57Å; G246-F258 WeakPolarHBondContact CA-O 3.33Å
247C98.1Very high92.9Very high0 Ų052.3 Ų52.30%032%0.32CS..EExtended strand (participates in β ladder)trans-121.2152.4-176.2-54.50000109.9F258 W264 C278 Q287C247-F258 PolarHBondContact N-O 3.41Å; C247-F258 PolarHBondContact O-N 2.85Å; C247-W264 HydrophobicContact CB-CH2 4.17Å; C247-C278 HydrophobicContact CB-CB 3.62Å; C247-C278 WeakPolarHBondContact CB-SG 3.3Å; C247-C278 PolarHBondContact N-SG 3Å; C247-C278 VanDerWaalsContact SG-CA 3.52Å; C247-C278 WeakPolarHBondContact SG-CB 3.39Å; C247-C278 CovalentContact SG-SG 2.05Å; C247-C278 PolarHBondContact SG-SG 2.81Å; C247-Q287 HydrophobicContact CB-CG 3.75Å
248V96.9Very high93.4Very high17 Ų1749.4 Ų49.410%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-98.9114170.9-179.40000107.6R225 D228 V230 S255 K256 Q287R225-V248 HydrophobicContact CB-CG2 4.37Å; R225-V248 HydrophobicContact CG-CG2 3.81Å; D228-V248 PolarHBondContact O-N 3.47Å; V230-V248 HydrophobicContact CG2-CG2 3.71Å; V248-S255 WeakPolarHBondContact CG1-OG 3.4Å; V248-K256 WeakPolarHBondContact CA-O 3.44Å; V248-Q287 PolarHBondContact O-NE2 2.93Å
249G94.1Very high94.2Very high2 Ų246.6 Ų46.62%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-115.8152.1-176.800000111.9S255 K256G249-S255 CarbonylContact O-C 3.49Å; G249-S255 WeakPolarHBondContact O-CA 3.39Å; G249-K256 PolarHBondContact N-O 3.02Å; G249-K256 PolarHBondContact O-N 3.31Å
250L92.7Very high94.6Very high97 Ų9746.1 Ų46.151%0.50826%0.26SS..EExtended strand (participates in β ladder)trans-94.2112.6171.1-165.978.2000109.6
251E90Very high94.6Very high35 Ų3551.4 Ų51.416%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-118.8120.4175-175.5-178-118.800109.2G253 Q254 K256 F258 W264E251-G253 PolarHBondContact O-N 3.1Å; E251-Q254 PolarHBondContact N-O 2.93Å; E251-Q254 PolarHBondContact O-N 2.67Å; E251-K256 HydrophobicContact CB-CD 4.35Å; E251-K256 IonicContact OE2-NZ 2.86Å; E251-K256 PolarHBondContact OE2-NZ 3.4Å; E251-F258 HydrophobicContact CB-CZ 4.02Å; E251-W264 HydrophobicContact CB-CB 4.36Å; E251-W264 HydrophobicContact CG-CB 4.44Å
252M85.3Confident94.8Very high159 Ų15951.7 Ų51.778%0.78329%0.294SS*.THydrogen-bonded Turntrans5336.7-178.1-57.4-179.7-70.200113.3Q254M252-Q254 PolarHBondContact O-N 2.84Å
253G86.4Confident94.7Very high61 Ų6154.7 Ų54.763%0.62931%0.307SS*.THydrogen-bonded Turntrans78.70.4-17900000114.9E251E251-G253 PolarHBondContact O-N 3.1Å
254Q91.2Very high94.7Very high126 Ų12654.6 Ų54.659%0.58931%0.305SS*.EExtended strand (participates in β ladder)trans-106.2132.9175.4-64.3-174.6-2.500111E251 M252 K256E251-Q254 PolarHBondContact N-O 2.93Å; E251-Q254 PolarHBondContact O-N 2.67Å; M252-Q254 PolarHBondContact O-N 2.84Å; Q254-K256 PolarHBondContact O-N 3.01Å
255S94Very high94.4Very high59 Ų5956.4 Ų56.441%0.41331%0.312SS..EExtended strand (participates in β ladder)trans-78.8112.3175.5173.50000110.2R225 V248 G249R225-S255 PolarHBondContact NH1-OG 3.07Å; R225-S255 PolarHBondContact NH2-O 2.86Å; V248-S255 WeakPolarHBondContact CG1-OG 3.4Å; G249-S255 CarbonylContact O-C 3.49Å; G249-S255 WeakPolarHBondContact O-CA 3.39Å
256K96.1Very high93.9Very high68 Ų6856.3 Ų56.330%0.29631%0.312SS..EExtended strand (participates in β ladder)trans-119.5158-177.3-65.4-174.9-174.3175.60111.6V248 G249 E251 Q254 F258V248-K256 WeakPolarHBondContact CA-O 3.44Å; G249-K256 PolarHBondContact N-O 3.02Å; G249-K256 PolarHBondContact O-N 3.31Å; E251-K256 HydrophobicContact CB-CD 4.35Å; E251-K256 IonicContact OE2-NZ 2.86Å; E251-K256 PolarHBondContact OE2-NZ 3.4Å; Q254-K256 PolarHBondContact O-N 3.01Å; K256-F258 HydrophobicContact CB-CD2 4.44Å; K256-F258 HydrophobicContact CB-CE2 3.64Å; K256-F258 HydrophobicContact CB-CZ 3.7Å; K256-F258 HydrophobicContact CD-CZ 4.3Å; K256-F258 WeakPolarHBondContact O-CD2 3.38Å
257D97.1Very high92.9Very high72 Ų7266.8 Ų66.839%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-92.9128177.5-69.46.2000109.5R225 V230R225-D257 IonicContact CZ-OD1 2.69Å; R225-D257 IonicContact NE-OD1 2.7Å; R225-D257 PolarHBondContact NE-OD1 2.82Å; R225-D257 IonicContact NE-OD2 3.08Å; R225-D257 IonicContact NH2-OD1 2.77Å; R225-D257 PolarHBondContact NH2-OD1 2.94Å; V230-D257 HydrophobicContact CG2-CB 3.8Å
258F97.4Very high91.7Very high22 Ų2270.5 Ų70.510%0.09637%0.371CS..EExtended strand (participates in β ladder)trans-122.7118.3-177.3-68.4-73.6000109.7G246 C247 E251 K256 T262 W264G246-F258 CarbonylContact C-O 3.57Å; G246-F258 WeakPolarHBondContact CA-O 3.33Å; C247-F258 PolarHBondContact N-O 3.41Å; C247-F258 PolarHBondContact O-N 2.85Å; E251-F258 HydrophobicContact CB-CZ 4.02Å; K256-F258 HydrophobicContact CB-CD2 4.44Å; K256-F258 HydrophobicContact CB-CE2 3.64Å; K256-F258 HydrophobicContact CB-CZ 3.7Å; K256-F258 HydrophobicContact CD-CZ 4.3Å; K256-F258 WeakPolarHBondContact O-CD2 3.38Å; F258-T262 WeakPolarHBondContact CA-OG1 3.43Å; F258-T262 VanDerWaalsContact CB-OG1 3.3Å; F258-T262 WeakPolarHBondContact CB-OG1 3.15Å; F258-W264 HydrophobicContact CB-CE3 3.76Å; F258-W264 HydrophobicContact CB-CZ3 3.69Å; F258-W264 HydrophobicContact CD1-CB 4.13Å; F258-W264 HydrophobicContact CD1-CD2 4.23Å; F258-W264 AromaticContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CG 4.43Å; F258-W264 AromaticContact CD2-CD2 3.63Å; F258-W264 HydrophobicContact CD2-CD2 3.63Å; F258-W264 AromaticContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CG 4.1Å; F258-W264 HydrophobicContact CD2-CH2 4.45Å; F258-W264 AromaticContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CE1-CB 3.46Å; F258-W264 VanDerWaalsContact CE1-CB 3.46Å; F258-W264 HydrophobicContact CE1-CD2 4.29Å; F258-W264 HydrophobicContact CE1-CE3 4.23Å; F258-W264 HydrophobicContact CE1-CG 4.02Å; F258-W264 HydrophobicContact CE2-CB 3.94Å; F258-W264 AromaticContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CE3 4.02Å; F258-W264 AromaticContact CE2-CG 3.63Å; F258-W264 HydrophobicContact CE2-CG 3.63Å; F258-W264 AromaticContact CG-CD2 3.92Å; F258-W264 HydrophobicContact CG-CD2 3.92Å; F258-W264 AromaticContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CG 4.48Å; F258-W264 AromaticContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CZ-CB 3.34Å; F258-W264 HydrophobicContact CZ-CD2 4.01Å; F258-W264 HydrophobicContact CZ-CE3 4.35Å; F258-W264 AromaticContact CZ-CG 3.59Å; F258-W264 HydrophobicContact CZ-CG 3.59Å
259G97.2Very high90.4Very high31 Ų3175.3 Ų75.332%0.3240%0.4SS..EExtended strand (participates in β ladder)trans-67.7168.617500000112.3N261 T262G259-N261 PolarHBondContact O-N 2.83Å; G259-T262 PolarHBondContact N-OG1 2.81Å; G259-T262 WeakPolarHBondContact O-CB 3.38Å; G259-T262 WeakPolarHBondContact O-CG2 3.38Å; G259-T262 PolarHBondContact O-N 2.86Å; G259-T262 VanDerWaalsContact O-N 3.14Å; G259-T262 PolarHBondContact O-OG1 3.31Å
260F97Very high89.8Confident48 Ų4878 Ų7821%0.21143%0.428CS..THydrogen-bonded Turntrans-58142.1174.8-59.3-55.5000112.1L244 T262 N281 A285L244-F260 HydrophobicContact CB-CZ 3.96Å; L244-F260 WeakPolarHBondContact O-CE2 3.44Å; F260-T262 PolarHBondContact O-N 3.33Å; F260-N281 VanDerWaalsContact CE2-C 3.44Å; F260-N281 WeakPolarHBondContact CZ-O 3.3Å; F260-A285 HydrophobicContact CE1-CB 3.81Å; F260-A285 HydrophobicContact CZ-CB 4.46Å
261N94.5Very high89.4Confident136 Ų13676.4 Ų76.473%0.72742%0.424SS*.THydrogen-bonded Turntrans64.210.1-176.5-48.7-50.4000114.7G259 C278G259-N261 PolarHBondContact O-N 2.83Å; N261-C278 PolarHBondContact N-O 3.16Å
262T96.8Very high89.3Confident52 Ų5276.4 Ų76.432%0.31942%0.424SS..  trans-89.6157167.969.70000110.4F258 G259 F260 G277 C278F258-T262 WeakPolarHBondContact CA-OG1 3.43Å; F258-T262 VanDerWaalsContact CB-OG1 3.3Å; F258-T262 WeakPolarHBondContact CB-OG1 3.15Å; G259-T262 PolarHBondContact N-OG1 2.81Å; G259-T262 WeakPolarHBondContact O-CB 3.38Å; G259-T262 WeakPolarHBondContact O-CG2 3.38Å; G259-T262 PolarHBondContact O-N 2.86Å; G259-T262 VanDerWaalsContact O-N 3.14Å; G259-T262 PolarHBondContact O-OG1 3.31Å; F260-T262 PolarHBondContact O-N 3.33Å; T262-G277 WeakPolarHBondContact O-CA 3.44Å; T262-C278 PolarHBondContact O-N 2.79Å
263H94.9Very high89.6Confident110 Ų11068.9 Ų68.951%0.50939%0.388SS..EExtended strand (participates in β ladder)trans-137.2150-174.146.9-99.1000110.8M275 M276H263-M275 HydrophobicContact CB-CG 3.88Å; H263-M275 HydrophobicContact CB-SD 3.61Å; H263-M275 PolarHBondContact CD2-SD 2.92Å; H263-M276 CarbonylContact C-O 3.47Å; H263-M276 WeakPolarHBondContact CA-O 3.29Å; H263-M276 WeakPolarHBondContact CB-O 3.32Å
264W94.9Very high90Very high6 Ų669.5 Ų69.52%0.02337%0.371CS..EExtended strand (participates in β ladder)trans-144.6157.2-179.466.897000111.3C247 E251 F258 A266 M275 M276 C278 Q287C247-W264 HydrophobicContact CB-CH2 4.17Å; E251-W264 HydrophobicContact CB-CB 4.36Å; E251-W264 HydrophobicContact CG-CB 4.44Å; F258-W264 HydrophobicContact CB-CE3 3.76Å; F258-W264 HydrophobicContact CB-CZ3 3.69Å; F258-W264 HydrophobicContact CD1-CB 4.13Å; F258-W264 HydrophobicContact CD1-CD2 4.23Å; F258-W264 AromaticContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CE3 3.74Å; F258-W264 HydrophobicContact CD1-CG 4.43Å; F258-W264 AromaticContact CD2-CD2 3.63Å; F258-W264 HydrophobicContact CD2-CD2 3.63Å; F258-W264 AromaticContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CE3 3.53Å; F258-W264 HydrophobicContact CD2-CG 4.1Å; F258-W264 HydrophobicContact CD2-CH2 4.45Å; F258-W264 AromaticContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CD2-CZ3 3.97Å; F258-W264 HydrophobicContact CE1-CB 3.46Å; F258-W264 VanDerWaalsContact CE1-CB 3.46Å; F258-W264 HydrophobicContact CE1-CD2 4.29Å; F258-W264 HydrophobicContact CE1-CE3 4.23Å; F258-W264 HydrophobicContact CE1-CG 4.02Å; F258-W264 HydrophobicContact CE2-CB 3.94Å; F258-W264 AromaticContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CD2 3.66Å; F258-W264 HydrophobicContact CE2-CE3 4.02Å; F258-W264 AromaticContact CE2-CG 3.63Å; F258-W264 HydrophobicContact CE2-CG 3.63Å; F258-W264 AromaticContact CG-CD2 3.92Å; F258-W264 HydrophobicContact CG-CD2 3.92Å; F258-W264 AromaticContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CE3 3.37Å; F258-W264 HydrophobicContact CG-CG 4.48Å; F258-W264 AromaticContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CG-CZ3 3.81Å; F258-W264 HydrophobicContact CZ-CB 3.34Å; F258-W264 HydrophobicContact CZ-CD2 4.01Å; F258-W264 HydrophobicContact CZ-CE3 4.35Å; F258-W264 AromaticContact CZ-CG 3.59Å; F258-W264 HydrophobicContact CZ-CG 3.59Å; W264-A266 PolarHBondContact O-N 3.02Å; W264-M275 CarbonylContact O-C 3.5Å; W264-M275 VanDerWaalsContact O-CA 3.31Å; W264-M275 WeakPolarHBondContact O-CA 3.35Å; W264-M275 WeakPolarHBondContact O-CG 3.3Å; W264-M276 HydrophobicContact CD2-CB 3.87Å; W264-M276 HydrophobicContact CE3-CB 4.35Å; W264-M276 HydrophobicContact CG-CB 4.43Å; W264-M276 HydrophobicContact CH2-CB 3.94Å; W264-M276 HydrophobicContact CZ2-CB 3.41Å; W264-M276 VanDerWaalsContact CZ2-CB 3.41Å; W264-M276 HydrophobicContact CZ2-CG 4.2Å; W264-M276 HydrophobicContact CZ3-CB 4.39Å; W264-M276 PolarHBondContact N-O 3.13Å; W264-M276 PolarHBondContact O-N 3.27Å; W264-C278 HydrophobicContact CH2-CB 4.41Å; W264-C278 HydrophobicContact CZ3-CB 3.99Å; W264-Q287 HydrophobicContact CH2-CB 4.43Å; W264-Q287 HydrophobicContact CH2-CG 4.14Å; W264-Q287 HydrophobicContact CZ2-CG 4.43Å
265F92Very high90.1Very high57 Ų5764.2 Ų64.225%0.2535%0.347CS..EExtended strand (participates in β ladder)trans-80.3119.5176.3-66.5-67.5000110.4M275 V293 R300F265-M275 HydrophobicContact CD1-CB 4.39Å; F265-M275 HydrophobicContact CD1-CE 4.12Å; F265-M275 HydrophobicContact CD1-CG 4.41Å; F265-M275 HydrophobicContact CE1-CB 4.34Å; F265-M275 HydrophobicContact CE1-CE 3.21Å; F265-M275 HydrophobicContact CE1-CG 4.29Å; F265-M275 HydrophobicContact CE2-CE 3.92Å; F265-M275 HydrophobicContact CZ-CE 3.09Å; F265-V293 HydrophobicContact CD1-CG2 4.02Å; F265-V293 HydrophobicContact CE1-CG2 3.78Å; F265-R300 VanDerWaalsContact CE1-CZ 3.46Å; F265-R300 VanDerWaalsContact CZ-NH1 3.34Å
266A87.5Confident90.1Very high24 Ų2463 Ų6320%0.19834%0.335CS..PPolyproline II helixtrans-67.8160.7163.200000109.7W264 N268 Y274 M276W264-A266 PolarHBondContact O-N 3.02Å; A266-N268 PolarHBondContact O-N 2.92Å; A266-Y274 WeakPolarHBondContact CB-O 3.35Å; A266-Y274 PolarHBondContact N-O 3.42Å; A266-M276 HydrophobicContact CB-CG 3.9Å
267R77.7Confident90.1Very high221 Ų22159.9 Ų59.983%0.83432%0.323SS*.PPolyproline II helixtrans-58.1129175.9-163.8180-162-162.23.8109.9
268N72.8Confident90.1Very high78 Ų7856.5 Ų56.542%0.41730%0.304SS..PPolyproline II helixtrans-66146.3176.9-66.8-19.3000111.1A266 G273A266-N268 PolarHBondContact O-N 2.92Å; N268-G273 WeakPolarHBondContact OD1-CA 2.96Å
269V68.2Low90Very high117 Ų11757.5 Ų57.571%0.70931%0.312SS*.BIsolated β-bridgetrans-118.592.2169-173.80000106.9M272V269-M272 CarbonylContact C-O 3.51Å; V269-M272 PolarHBondContact N-O 3.16Å; V269-M272 VanDerWaalsContact O-O 3.13Å
270G81.9Confident90Very high60 Ų6057.5 Ų57.562%0.61931%0.312SS*.THydrogen-bonded Turntrans71.2-140.8-174.800000112.9M272G270-M272 PolarHBondContact O-N 3.47Å
271P84.8Confident90Very high63 Ų6358.7 Ų58.741%0.40932%0.321SS..THydrogen-bonded Turntrans-72.8-15.8-179.530.5-34.6000112.9N295 E296P271-N295 PolarHBondContact O-N 3.23Å; P271-E296 HydrophobicContact CB-CB 4.14Å
272M88.6Confident90.1Very high34 Ų3455.3 Ų55.317%0.16730%0.3CS..EExtended strand (participates in β ladder)trans-97.1144.8178.4-63.9-64.299.300111.2V269 G270 V293 V294 F317 L331V269-M272 CarbonylContact C-O 3.51Å; V269-M272 PolarHBondContact N-O 3.16Å; V269-M272 VanDerWaalsContact O-O 3.13Å; G270-M272 PolarHBondContact O-N 3.47Å; M272-V293 CarbonylContact C-O 3.49Å; M272-V293 WeakPolarHBondContact CA-O 3.47Å; M272-V294 HydrophobicContact CE-CB 3.37Å; M272-V294 HydrophobicContact CE-CG2 3.21Å; M272-V294 HydrophobicContact SD-CB 4.34Å; M272-F317 HydrophobicContact SD-CD2 4.5Å; M272-F317 HydrophobicContact SD-CE2 3.83Å; M272-L331 HydrophobicContact CE-CB 4.12Å; M272-L331 HydrophobicContact CE-CD2 4.37Å
273G91.7Very high90Very high2 Ų263.3 Ų63.32%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-145.9174171.500000110.9N268 V293N268-G273 WeakPolarHBondContact OD1-CA 2.96Å; G273-V293 PolarHBondContact N-O 2.79Å; G273-V293 PolarHBondContact O-N 3.25Å
274Y93.2Very high90.1Very high73 Ų7364.6 Ų64.629%0.28633%0.331SS..EExtended strand (participates in β ladder)trans-127.8144.5179.6-60.6-78.2000109.8A266 V289 T327A266-Y274 WeakPolarHBondContact CB-O 3.35Å; A266-Y274 PolarHBondContact N-O 3.42Å; Y274-V289 HydrophobicContact CD1-CG1 3.62Å; Y274-V289 HydrophobicContact CD1-CG2 4.36Å; Y274-V289 HydrophobicContact CE1-CG1 4.45Å; Y274-V289 HydrophobicContact CG-CG1 4.25Å; Y274-V289 HydrophobicContact CG-CG2 4.48Å; Y274-T327 HydrophobicContact CE1-CG2 4.44Å; Y274-T327 PolarHBondContact OH-O 3Å
275M94.1Very high90.2Very high15 Ų1565.2 Ų65.27%0.07434%0.338CS..EExtended strand (participates in β ladder)trans-99.7119.1164.3-165.5-174.6-92.800107.9H263 W264 F265 T290 H291 V293H263-M275 HydrophobicContact CB-CG 3.88Å; H263-M275 HydrophobicContact CB-SD 3.61Å; H263-M275 PolarHBondContact CD2-SD 2.92Å; W264-M275 CarbonylContact O-C 3.5Å; W264-M275 VanDerWaalsContact O-CA 3.31Å; W264-M275 WeakPolarHBondContact O-CA 3.35Å; W264-M275 WeakPolarHBondContact O-CG 3.3Å; F265-M275 HydrophobicContact CD1-CB 4.39Å; F265-M275 HydrophobicContact CD1-CE 4.12Å; F265-M275 HydrophobicContact CD1-CG 4.41Å; F265-M275 HydrophobicContact CE1-CB 4.34Å; F265-M275 HydrophobicContact CE1-CE 3.21Å; F265-M275 HydrophobicContact CE1-CG 4.29Å; F265-M275 HydrophobicContact CE2-CE 3.92Å; F265-M275 HydrophobicContact CZ-CE 3.09Å; M275-T290 PolarHBondContact O-N 3.19Å; M275-T290 PolarHBondContact O-OG1 2.75Å; M275-H291 HydrophobicContact CB-CB 3.82Å; M275-H291 PolarHBondContact N-O 2.94Å; M275-H291 PolarHBondContact O-N 3.36Å; M275-H291 HydrophobicContact SD-CB 4.49Å; M275-V293 HydrophobicContact CB-CG2 4.5Å
276M94.6Very high90.4Very high34 Ų3464.1 Ų64.117%0.16734%0.339CS..EExtended strand (participates in β ladder)trans-84149.6172.5-60.1-60.1-65.300109H263 W264 A266 Q287 E288 V289H263-M276 CarbonylContact C-O 3.47Å; H263-M276 WeakPolarHBondContact CA-O 3.29Å; H263-M276 WeakPolarHBondContact CB-O 3.32Å; W264-M276 HydrophobicContact CD2-CB 3.87Å; W264-M276 HydrophobicContact CE3-CB 4.35Å; W264-M276 HydrophobicContact CG-CB 4.43Å; W264-M276 HydrophobicContact CH2-CB 3.94Å; W264-M276 HydrophobicContact CZ2-CB 3.41Å; W264-M276 VanDerWaalsContact CZ2-CB 3.41Å; W264-M276 HydrophobicContact CZ2-CG 4.2Å; W264-M276 HydrophobicContact CZ3-CB 4.39Å; W264-M276 PolarHBondContact N-O 3.13Å; W264-M276 PolarHBondContact O-N 3.27Å; A266-M276 HydrophobicContact CB-CG 3.9Å; M276-Q287 HydrophobicContact CE-CB 4.03Å; M276-E288 CarbonylContact C-O 3.56Å; M276-E288 WeakPolarHBondContact CA-O 3.3Å; M276-V289 HydrophobicContact CE-CG2 4.49Å; M276-V289 HydrophobicContact SD-CG2 3.71Å
277G95.3Very high90.7Very high3 Ų366 Ų663%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-130147.6170.200000111T262 E288T262-G277 WeakPolarHBondContact O-CA 3.44Å; G277-E288 PolarHBondContact N-O 2.91Å; G277-E288 PolarHBondContact O-N 2.77Å
278C97.7Very high91.4Very high0 Ų060.1 Ų60.10%033%0.326CS..EExtended strand (participates in β ladder)trans-90.4104.3171.4-172.10000108.9C247 N261 T262 W264C247-C278 HydrophobicContact CB-CB 3.62Å; C247-C278 WeakPolarHBondContact CB-SG 3.3Å; C247-C278 PolarHBondContact N-SG 3Å; C247-C278 VanDerWaalsContact SG-CA 3.52Å; C247-C278 WeakPolarHBondContact SG-CB 3.39Å; C247-C278 CovalentContact SG-SG 2.05Å; C247-C278 PolarHBondContact SG-SG 2.81Å; N261-C278 PolarHBondContact N-O 3.16Å; T262-C278 PolarHBondContact O-N 2.79Å; W264-C278 HydrophobicContact CH2-CB 4.41Å; W264-C278 HydrophobicContact CZ3-CB 3.99Å
279V95.5Very high92.5Very high43 Ų4358.1 Ų58.126%0.26132%0.316SS..EExtended strand (participates in β ladder)trans-98.9143.2177.7-60.80000109.8A285 A286 E288V279-A285 CarbonylContact O-C 3.57Å; V279-A285 WeakPolarHBondContact O-CA 3.5Å; V279-A286 HydrophobicContact CG2-CB 3.94Å; V279-A286 WeakPolarHBondContact CG2-O 3.36Å; V279-A286 PolarHBondContact N-O 2.97Å; V279-A286 PolarHBondContact O-N 2.86Å; V279-E288 HydrophobicContact CG2-CB 4.35Å; V279-E288 VanDerWaalsContact CG2-CD 3.43Å; V279-E288 HydrophobicContact CG2-CG 3.81Å; V279-E288 WeakPolarHBondContact CG2-OE1 3.34Å
280G96.1Very high93.7Very high31 Ų3154.2 Ų54.232%0.3229%0.293SS..EExtended strand (participates in β ladder)trans138.6-157.7176.700000114.5Q284G280-Q284 CarbonylContact C-O 3.51Å; G280-Q284 WeakPolarHBondContact CA-O 3.34Å
281N97.1Very high94.4Very high74 Ų7453.4 Ų53.440%0.39627%0.273SS..  trans-157.6-169.3-177.16147.5000110.1F260 R283 Q284F260-N281 VanDerWaalsContact CE2-C 3.44Å; F260-N281 WeakPolarHBondContact CZ-O 3.3Å; N281-R283 PolarHBondContact O-N 2.92Å; N281-R283 WeakPolarHBondContact OD1-CB 3.37Å; N281-R283 PolarHBondContact OD1-N 2.92Å; N281-Q284 PolarHBondContact N-O 3.17Å; N281-Q284 PolarHBondContact O-N 3.25Å; N281-Q284 PolarHBondContact OD1-N 2.77Å
282E96.4Very high94.9Very high64 Ų6450.5 Ų50.530%0.29925%0.254SS..SBendtrans-60.2-12-177-63-165.615700115.6K234 R236 V243 L244K234-E282 WeakPolarHBondContact CD-OE1 3.5Å; K234-E282 IonicContact NZ-OE1 3.82Å; K234-E282 PolarHBondContact NZ-OE1 2.76Å; K234-E282 IonicContact NZ-OE2 2.77Å; K234-E282 PolarHBondContact NZ-OE2 2.89Å; R236-E282 IonicContact CZ-OE2 3.01Å; R236-E282 IonicContact NH2-OE2 2.56Å; R236-E282 PolarHBondContact NH2-OE2 3.17Å; V243-E282 HydrophobicContact CB-CB 4Å; V243-E282 HydrophobicContact CB-CG 4.33Å; V243-E282 HydrophobicContact CG1-CB 4.29Å; V243-E282 HydrophobicContact CG2-CG 4.42Å; L244-E282 PolarHBondContact N-O 3.48Å; L244-E282 WeakPolarHBondContact O-CA 3.17Å
283R95.4Very high95.1Very high221 Ų22149 Ų4983%0.83425%0.246SC*.SBendtrans-109.3-31.9-177.5-59.7-177178.6-175.8-0.6114.1N281N281-R283 PolarHBondContact O-N 2.92Å; N281-R283 WeakPolarHBondContact OD1-CB 3.37Å; N281-R283 PolarHBondContact OD1-N 2.92Å
284Q96.6Very high95.2Very high136 Ų13648.9 Ų48.964%0.63625%0.245SC*.  trans-145.7142.3-177.666.3-175.28.400110.1G280 N281G280-Q284 CarbonylContact C-O 3.51Å; G280-Q284 WeakPolarHBondContact CA-O 3.34Å; N281-Q284 PolarHBondContact N-O 3.17Å; N281-Q284 PolarHBondContact O-N 3.25Å; N281-Q284 PolarHBondContact OD1-N 2.77Å
285A97.1Very high95.1Very high20 Ų2049.8 Ų49.817%0.16526%0.255CS..EExtended strand (participates in β ladder)trans-141.6144.1179.400000109.4F229 L244 F260 V279F229-A285 HydrophobicContact CD1-CB 3.61Å; F229-A285 HydrophobicContact CE1-CB 3.6Å; F229-A285 VanDerWaalsContact CE1-O 3.29Å; F229-A285 WeakPolarHBondContact CE1-O 3.46Å; F229-A285 WeakPolarHBondContact CZ-O 3.04Å; L244-A285 HydrophobicContact CD1-CB 3.97Å; L244-A285 HydrophobicContact CD2-CB 4.09Å; L244-A285 HydrophobicContact CG-CB 4.46Å; F260-A285 HydrophobicContact CE1-CB 3.81Å; F260-A285 HydrophobicContact CZ-CB 4.46Å; V279-A285 CarbonylContact O-C 3.57Å; V279-A285 WeakPolarHBondContact O-CA 3.5Å
286A95.9Very high94.7Very high34 Ų3452.5 Ų52.528%0.28127%0.268SS..EExtended strand (participates in β ladder)trans-142.2151.9172.800000110.3V279 E288V279-A286 HydrophobicContact CG2-CB 3.94Å; V279-A286 WeakPolarHBondContact CG2-O 3.36Å; V279-A286 PolarHBondContact N-O 2.97Å; V279-A286 PolarHBondContact O-N 2.86Å; A286-E288 HydrophobicContact CB-CG 4.31Å
287Q94.1Very high94.2Very high63 Ų6355 Ų5529%0.29430%0.303SS..EExtended strand (participates in β ladder)trans-99.1119.1169.8-57.1-171.83000107.9D228 C247 V248 W264 M276D228-Q287 PolarHBondContact O-NE2 3.27Å; D228-Q287 VanDerWaalsContact O-NE2 3.09Å; C247-Q287 HydrophobicContact CB-CG 3.75Å; V248-Q287 PolarHBondContact O-NE2 2.93Å; W264-Q287 HydrophobicContact CH2-CB 4.43Å; W264-Q287 HydrophobicContact CH2-CG 4.14Å; W264-Q287 HydrophobicContact CZ2-CG 4.43Å; M276-Q287 HydrophobicContact CE-CB 4.03Å
288E93.4Very high93.8Very high97 Ų9761.6 Ų61.645%0.45333%0.328SS..EExtended strand (participates in β ladder)trans-129.2149.4-176-67.1-177.5-172.400110.7M276 G277 V279 A286 T290M276-E288 CarbonylContact C-O 3.56Å; M276-E288 WeakPolarHBondContact CA-O 3.3Å; G277-E288 PolarHBondContact N-O 2.91Å; G277-E288 PolarHBondContact O-N 2.77Å; V279-E288 HydrophobicContact CG2-CB 4.35Å; V279-E288 VanDerWaalsContact CG2-CD 3.43Å; V279-E288 HydrophobicContact CG2-CG 3.81Å; V279-E288 WeakPolarHBondContact CG2-OE1 3.34Å; A286-E288 HydrophobicContact CB-CG 4.31Å; E288-T290 PolarHBondContact O-N 3.21Å
289V93.9Very high93.4Very high36 Ų3663.2 Ų63.222%0.21834%0.344CS..EExtended strand (participates in β ladder)trans-70.5116.2169.6178.50000107.8Y274 M276 V305 T327Y274-V289 HydrophobicContact CD1-CG1 3.62Å; Y274-V289 HydrophobicContact CD1-CG2 4.36Å; Y274-V289 HydrophobicContact CE1-CG1 4.45Å; Y274-V289 HydrophobicContact CG-CG1 4.25Å; Y274-V289 HydrophobicContact CG-CG2 4.48Å; M276-V289 HydrophobicContact CE-CG2 4.49Å; M276-V289 HydrophobicContact SD-CG2 3.71Å; V289-V305 HydrophobicContact CG1-CG2 4.3Å; V289-V305 VanDerWaalsContact O-CG2 3.24Å; V289-V305 WeakPolarHBondContact O-CG2 3.39Å; V289-T327 HydrophobicContact CB-CG2 4.16Å; V289-T327 HydrophobicContact CG1-CG2 3.6Å
290T94.7Very high93.2Very high35 Ų3567.6 Ų67.622%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-98.5-29.3179.4570000112.4M275 E288 S304 V305M275-T290 PolarHBondContact O-N 3.19Å; M275-T290 PolarHBondContact O-OG1 2.75Å; E288-T290 PolarHBondContact O-N 3.21Å; T290-S304 WeakPolarHBondContact O-CA 3.43Å; T290-V305 PolarHBondContact O-N 2.04Å
291H95.4Very high93.1Very high44 Ų4469.2 Ų69.220%0.20435%0.354CS..EExtended strand (participates in β ladder)trans-142.6149.9179.1-53.570000111.4M275 V302 I303 S304M275-H291 HydrophobicContact CB-CB 3.82Å; M275-H291 PolarHBondContact N-O 2.94Å; M275-H291 PolarHBondContact O-N 3.36Å; M275-H291 HydrophobicContact SD-CB 4.49Å; H291-V302 HydrophobicContact CB-CG1 3.56Å; H291-I303 CarbonylContact C-O 3.5Å; H291-I303 WeakPolarHBondContact CA-O 3.35Å; H291-I303 VanDerWaalsContact CB-O 3.31Å; H291-I303 WeakPolarHBondContact CB-O 3.34Å; H291-S304 VanDerWaalsContact CD2-CA 3.41Å; H291-S304 WeakPolarHBondContact CD2-CA 3.21Å; H291-S304 PolarHBondContact CD2-N 2.91Å; H291-S304 PolarHBondContact CD2-OG 2.88Å; H291-S304 VanDerWaalsContact CD2-OG 3.25Å; H291-S304 PolarHBondContact NE2-OG 2.87Å
292C95.1Very high93Very high1 Ų168.3 Ų68.31%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-96.5146.1164.1-55.30000108.9V302 I303 F317 C319C292-V302 WeakPolarHBondContact O-CA 3.42Å; C292-I303 PolarHBondContact N-O 2.94Å; C292-I303 PolarHBondContact O-N 3.13Å; C292-I303 VanDerWaalsContact O-N 3.09Å; C292-F317 HydrophobicContact CB-CE1 4.32Å; C292-F317 HydrophobicContact CB-CE2 4.07Å; C292-F317 HydrophobicContact CB-CZ 3.47Å; C292-F317 VanDerWaalsContact CB-CZ 3.47Å; C292-F317 WeakPolarHBondContact O-CE1 3.38Å; C292-C319 HydrophobicContact CB-CB 3.5Å; C292-C319 VanDerWaalsContact CB-CB 3.5Å; C292-C319 WeakPolarHBondContact CB-SG 3.08Å; C292-C319 PolarHBondContact N-SG 2.81Å; C292-C319 VanDerWaalsContact SG-CA 3.53Å; C292-C319 WeakPolarHBondContact SG-CB 3.34Å; C292-C319 CovalentContact SG-SG 2.03Å; C292-C319 PolarHBondContact SG-SG 2.83Å
293V94.7Very high93Very high2 Ų265.7 Ų65.71%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-123.5130.7-178.5-174.50000108.8F265 M272 G273 M275 R300 K301 V302F265-V293 HydrophobicContact CD1-CG2 4.02Å; F265-V293 HydrophobicContact CE1-CG2 3.78Å; M272-V293 CarbonylContact C-O 3.49Å; M272-V293 WeakPolarHBondContact CA-O 3.47Å; G273-V293 PolarHBondContact N-O 2.79Å; G273-V293 PolarHBondContact O-N 3.25Å; M275-V293 HydrophobicContact CB-CG2 4.5Å; V293-R300 HydrophobicContact CG1-CG 4Å; V293-K301 WeakPolarHBondContact CA-O 3.05Å; V293-V302 HydrophobicContact CG1-CG2 4.18Å; V293-V302 HydrophobicContact CG2-CG1 4.3Å; V293-V302 HydrophobicContact CG2-CG2 4.13Å
294V93.6Very high93Very high0 Ų057.4 Ų57.40%032%0.315CS..EExtended strand (participates in β ladder)trans-113138.2166.455.80000109.5M272 E296 R300 K301 Y311 F317 L331M272-V294 HydrophobicContact CE-CB 3.37Å; M272-V294 HydrophobicContact CE-CG2 3.21Å; M272-V294 HydrophobicContact SD-CB 4.34Å; V294-E296 HydrophobicContact CG2-CB 4.18Å; V294-R300 WeakPolarHBondContact O-CA 3.35Å; V294-K301 HydrophobicContact CG1-CB 3.75Å; V294-K301 PolarHBondContact N-O 2.79Å; V294-K301 PolarHBondContact O-N 3.38Å; V294-Y311 HydrophobicContact CB-CE2 4.46Å; V294-Y311 HydrophobicContact CG1-CD2 3.7Å; V294-Y311 HydrophobicContact CG1-CE2 3.42Å; V294-Y311 VanDerWaalsContact CG1-CE2 3.42Å; V294-Y311 HydrophobicContact CG1-CG 4.37Å; V294-Y311 HydrophobicContact CG2-CE1 3.92Å; V294-Y311 HydrophobicContact CG2-CE2 4.16Å; V294-F317 HydrophobicContact CB-CD1 4.3Å; V294-F317 HydrophobicContact CB-CD2 4.33Å; V294-F317 HydrophobicContact CB-CE1 4.11Å; V294-F317 HydrophobicContact CB-CE2 4.18Å; V294-F317 HydrophobicContact CB-CG 4.4Å; V294-F317 HydrophobicContact CB-CZ 4.06Å; V294-F317 HydrophobicContact CG1-CB 4.47Å; V294-F317 HydrophobicContact CG1-CD1 3.51Å; V294-F317 HydrophobicContact CG1-CD2 4.28Å; V294-F317 HydrophobicContact CG1-CE1 3.63Å; V294-F317 HydrophobicContact CG1-CE2 4.41Å; V294-F317 HydrophobicContact CG1-CG 3.85Å; V294-F317 HydrophobicContact CG1-CZ 4.09Å; V294-L331 HydrophobicContact CG2-CD2 4.05Å
295N89.6Confident93Very high93 Ų9352.9 Ų52.950%0.49730%0.296SS..EExtended strand (participates in β ladder)trans-135.383.8173.4-169.320000110.1P271P271-N295 PolarHBondContact O-N 3.23Å
296E86.1Confident92.9Very high72 Ų7253.2 Ų53.234%0.33630%0.302SS..SBendtrans-149116.9-176-172.5-170.9-131.700112.8P271 V294 Y298 Y311 K315 L331P271-E296 HydrophobicContact CB-CB 4.14Å; V294-E296 HydrophobicContact CG2-CB 4.18Å; E296-Y298 PolarHBondContact O-N 2.98Å; E296-Y311 HydrophobicContact CB-CE1 4.45Å; E296-Y311 PolarHBondContact N-OH 3.46Å; E296-Y311 VanDerWaalsContact O-CE1 3.27Å; E296-Y311 WeakPolarHBondContact O-CE1 3.39Å; E296-Y311 PolarHBondContact O-OH 2.84Å; E296-K315 IonicContact OE2-NZ 3.08Å; E296-K315 PolarHBondContact OE2-NZ 2.88Å; E296-L331 WeakPolarHBondContact OE2-CD2 3.43Å
297G84.9Confident93Very high87 Ų8751.8 Ų51.890%0.89729%0.29SS*.SBendtrans68.2-67.716800000115.3G299G297-G299 VanDerWaalsContact C-N 3.26Å; G297-G299 PolarHBondContact O-N 3.29Å
298Y86.8Confident93.2Very high141 Ų14148.8 Ų48.855%0.55328%0.276SS*.SBendtrans-85.614.6-179.4-61.3-71.2000114E296 Y311 P313E296-Y298 PolarHBondContact O-N 2.98Å; Y298-Y311 HydrophobicContact CD2-CD1 4.37Å; Y298-Y311 HydrophobicContact CD2-CE1 4.23Å; Y298-P313 VanDerWaalsContact OH-CD 3.3Å; Y298-P313 WeakPolarHBondContact OH-CD 3.35Å
299G89.1Confident93.3Very high33 Ų3344.5 Ų44.534%0.3426%0.256SS..  trans87.3-168.3179.800000113.8G297 Y311G297-G299 VanDerWaalsContact C-N 3.26Å; G297-G299 PolarHBondContact O-N 3.29Å; G299-Y311 PolarHBondContact O-OH 3.31Å
300R91.4Very high93.3Very high136 Ų13645.1 Ų45.151%0.51326%0.263SS..EExtended strand (participates in β ladder)trans-86.7130.6-173.9-173.3-173-164.8172.122.9111.5F265 V293 V294 V302F265-R300 VanDerWaalsContact CE1-CZ 3.46Å; F265-R300 VanDerWaalsContact CZ-NH1 3.34Å; V293-R300 HydrophobicContact CG1-CG 4Å; V294-R300 WeakPolarHBondContact O-CA 3.35Å; R300-V302 HydrophobicContact CG-CG2 4.4Å
301K93.8Very high93.2Very high64 Ų6443.8 Ų43.828%0.27825%0.254SS..EExtended strand (participates in β ladder)trans-125.8139167.7-166.6155.7-176175.40111.2V293 V294 I303 S309 S310 Y311V293-K301 WeakPolarHBondContact CA-O 3.05Å; V294-K301 HydrophobicContact CG1-CB 3.75Å; V294-K301 PolarHBondContact N-O 2.79Å; V294-K301 PolarHBondContact O-N 3.38Å; K301-I303 HydrophobicContact CG-CG2 4.36Å; K301-S309 WeakPolarHBondContact CE-OG 3.41Å; K301-S309 PolarHBondContact NZ-OG 2.76Å; K301-S310 PolarHBondContact NZ-O 2.78Å; K301-Y311 HydrophobicContact CB-CD2 3.76Å; K301-Y311 HydrophobicContact CB-CE2 3.7Å; K301-Y311 HydrophobicContact CD-CD2 4.05Å; K301-Y311 HydrophobicContact CG-CD2 4.48Å
302V94.9Very high93.1Very high55 Ų5543.3 Ų43.333%0.33326%0.261SS..EExtended strand (participates in β ladder)trans-125.7127.3-178.9-175.10000107.5H291 C292 V293 R300H291-V302 HydrophobicContact CB-CG1 3.56Å; C292-V302 WeakPolarHBondContact O-CA 3.42Å; V293-V302 HydrophobicContact CG1-CG2 4.18Å; V293-V302 HydrophobicContact CG2-CG1 4.3Å; V293-V302 HydrophobicContact CG2-CG2 4.13Å; R300-V302 HydrophobicContact CG-CG2 4.4Å
303I95.9Very high92.8Very high10 Ų1048 Ų485%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-132.9141.717765-177.6000109.7H291 C292 K301 C307 F317 C319H291-I303 CarbonylContact C-O 3.5Å; H291-I303 WeakPolarHBondContact CA-O 3.35Å; H291-I303 VanDerWaalsContact CB-O 3.31Å; H291-I303 WeakPolarHBondContact CB-O 3.34Å; C292-I303 PolarHBondContact N-O 2.94Å; C292-I303 PolarHBondContact O-N 3.13Å; C292-I303 VanDerWaalsContact O-N 3.09Å; K301-I303 HydrophobicContact CG-CG2 4.36Å; I303-C307 HydrophobicContact CB-CB 4.14Å; I303-C307 WeakPolarHBondContact CD1-O 3.45Å; I303-F317 HydrophobicContact CD1-CB 4.36Å; I303-F317 HydrophobicContact CD1-CD1 3.41Å; I303-F317 VanDerWaalsContact CD1-CD1 3.41Å; I303-F317 HydrophobicContact CD1-CD2 4.39Å; I303-F317 HydrophobicContact CD1-CE1 3.72Å; I303-F317 HydrophobicContact CD1-CG 3.8Å; I303-F317 HydrophobicContact CD1-CZ 4.31Å; I303-F317 VanDerWaalsContact CD1-O 3.25Å; I303-F317 WeakPolarHBondContact CD1-O 3.36Å; I303-F317 HydrophobicContact CG1-CD1 3.74Å; I303-F317 HydrophobicContact CG1-CE1 3.56Å; I303-F317 HydrophobicContact CG1-CZ 4.22Å; I303-F317 HydrophobicContact CG2-CD1 4.18Å; I303-F317 HydrophobicContact CG2-CE1 4.47Å; I303-C319 HydrophobicContact CD1-CB 3.89Å; I303-C319 HydrophobicContact CG1-CB 3.68Å
304S96.4Very high92.7Very high47 Ų4751.1 Ų51.133%0.32931%0.308SS..EExtended strand (participates in β ladder)trans-67.4155.9179.6-49.90000111.4T290 H291 G306 C307T290-S304 WeakPolarHBondContact O-CA 3.43Å; H291-S304 VanDerWaalsContact CD2-CA 3.41Å; H291-S304 WeakPolarHBondContact CD2-CA 3.21Å; H291-S304 PolarHBondContact CD2-N 2.91Å; H291-S304 PolarHBondContact CD2-OG 2.88Å; H291-S304 VanDerWaalsContact CD2-OG 3.25Å; H291-S304 PolarHBondContact NE2-OG 2.87Å; S304-G306 PolarHBondContact O-N 3.22Å; S304-C307 VanDerWaalsContact O-CB 3.24Å; S304-C307 WeakPolarHBondContact O-CB 3.45Å; S304-C307 PolarHBondContact O-N 2.92Å
305V95.6Very high92.7Very high40 Ų4053.2 Ų53.224%0.24232%0.317CS..THydrogen-bonded Turntrans-56.7133.9170.9177.90000110.2V289 T290 Q321 T327V289-V305 HydrophobicContact CG1-CG2 4.3Å; V289-V305 VanDerWaalsContact O-CG2 3.24Å; V289-V305 WeakPolarHBondContact O-CG2 3.39Å; T290-V305 PolarHBondContact O-N 2.04Å; V305-Q321 HydrophobicContact CG1-CB 3.95Å; V305-T327 HydrophobicContact CG2-CG2 3.7Å
306G96.3Very high93Very high28 Ų2848.8 Ų48.829%0.28929%0.293SS..THydrogen-bonded Turntrans91.1-2-174.400000114.3S304 C319 V349 R350S304-G306 PolarHBondContact O-N 3.22Å; G306-C319 WeakPolarHBondContact CA-O 3.48Å; G306-C319 PolarHBondContact N-O 2.82Å; G306-V349 WeakPolarHBondContact O-CA 3.35Å; G306-V349 VanDerWaalsContact O-CB 3.26Å; G306-V349 WeakPolarHBondContact O-CB 3.36Å; G306-R350 WeakPolarHBondContact O-CG 3.5Å; G306-R350 PolarHBondContact O-N 3.1Å
307C97.5Very high93.4Very high4 Ų445.4 Ų45.43%0.02728%0.277CS..EExtended strand (participates in β ladder)trans-103.2155178.1-74.10000113.1I303 S304 C319 R350 C352I303-C307 HydrophobicContact CB-CB 4.14Å; I303-C307 WeakPolarHBondContact CD1-O 3.45Å; S304-C307 VanDerWaalsContact O-CB 3.24Å; S304-C307 WeakPolarHBondContact O-CB 3.45Å; S304-C307 PolarHBondContact O-N 2.92Å; C307-C319 PolarHBondContact O-N 3.37Å; C307-R350 CarbonylContact C-O 3.57Å; C307-R350 WeakPolarHBondContact CA-O 3.11Å; C307-C352 HydrophobicContact CB-CB 3.54Å; C307-C352 WeakPolarHBondContact CB-SG 3.35Å; C307-C352 WeakPolarHBondContact SG-CB 3.41Å; C307-C352 CovalentContact SG-SG 2.04Å; C307-C352 PolarHBondContact SG-SG 2.66Å
308G97.1Very high94Very high0 Ų041.3 Ų41.30%024%0.235CC..EExtended strand (participates in β ladder)trans-137.4151.1160.800000110.8F317 I344 R350 F351 C352G308-F317 CarbonylContact C-O 3.47Å; G308-F317 WeakPolarHBondContact CA-O 3.44Å; G308-I344 VanDerWaalsContact C-CD1 3.45Å; G308-R350 PolarHBondContact N-O 3.21Å; G308-F351 WeakPolarHBondContact O-CA 3.26Å; G308-C352 PolarHBondContact O-N 3.44Å
309S96Very high94.4Very high6 Ų634.6 Ų34.64%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-147.4158.4-177.9-155.40000110.9K301 F317 C352K301-S309 WeakPolarHBondContact CE-OG 3.41Å; K301-S309 PolarHBondContact NZ-OG 2.76Å; S309-F317 PolarHBondContact N-O 2.77Å; S309-F317 PolarHBondContact O-N 3.35Å; S309-C352 WeakPolarHBondContact CA-OXT 3.24Å; S309-C352 WeakPolarHBondContact CB-OXT 3.42Å; S309-C352 PolarHBondContact OG-OXT 3.39Å
310S94.4Very high94.7Very high50 Ų5036.5 Ų36.535%0.3521%0.206SC..EExtended strand (participates in β ladder)trans-65.6147.3168.454.90000111K301K301-S310 PolarHBondContact NZ-O 2.78Å
311Y93.6Very high94.9Very high6 Ų636.2 Ų36.22%0.02421%0.21CC..EExtended strand (participates in β ladder)trans-135.9102.1177.1-172.2-101.9000109.2V294 E296 Y298 G299 K301 K315 L331V294-Y311 HydrophobicContact CB-CE2 4.46Å; V294-Y311 HydrophobicContact CG1-CD2 3.7Å; V294-Y311 HydrophobicContact CG1-CE2 3.42Å; V294-Y311 VanDerWaalsContact CG1-CE2 3.42Å; V294-Y311 HydrophobicContact CG1-CG 4.37Å; V294-Y311 HydrophobicContact CG2-CE1 3.92Å; V294-Y311 HydrophobicContact CG2-CE2 4.16Å; E296-Y311 HydrophobicContact CB-CE1 4.45Å; E296-Y311 PolarHBondContact N-OH 3.46Å; E296-Y311 VanDerWaalsContact O-CE1 3.27Å; E296-Y311 WeakPolarHBondContact O-CE1 3.39Å; E296-Y311 PolarHBondContact O-OH 2.84Å; Y298-Y311 HydrophobicContact CD2-CD1 4.37Å; Y298-Y311 HydrophobicContact CD2-CE1 4.23Å; G299-Y311 PolarHBondContact O-OH 3.31Å; K301-Y311 HydrophobicContact CB-CD2 3.76Å; K301-Y311 HydrophobicContact CB-CE2 3.7Å; K301-Y311 HydrophobicContact CD-CD2 4.05Å; K301-Y311 HydrophobicContact CG-CD2 4.48Å; Y311-K315 HydrophobicContact CD1-CD 4.45Å; Y311-K315 PolarHBondContact N-O 2.88Å; Y311-K315 VanDerWaalsContact O-CB 3.3Å; Y311-K315 WeakPolarHBondContact O-CB 3.48Å; Y311-K315 PolarHBondContact O-N 3.35Å; Y311-L331 HydrophobicContact CD1-CD1 3.63Å; Y311-L331 HydrophobicContact CD1-CD2 4.37Å; Y311-L331 HydrophobicContact CE1-CD1 4.34Å; Y311-L331 HydrophobicContact CE1-CD2 4.39Å; Y311-L331 HydrophobicContact CG-CD1 3.96Å
312G91.2Very high94.8Very high34 Ų3435.8 Ų35.835%0.35121%0.211SC..THydrogen-bonded Turntrans68.4-165.5-167.600000112.6
313P89.5Confident94.5Very high100 Ų10044.7 Ų44.765%0.64924%0.238SC*.THydrogen-bonded Turntrans-79.3-23.8-174.431.4-33.5000113.6Y298Y298-P313 VanDerWaalsContact OH-CD 3.3Å; Y298-P313 WeakPolarHBondContact OH-CD 3.35Å
314D92.3Very high94.1Very high68 Ų6849.4 Ų49.436%0.36426%0.263SS..THydrogen-bonded Turntrans-133.68.5-164.870.4-32.4000113.7V333 L334D314-V333 CarbonylContact O-C 3.51Å; D314-V333 WeakPolarHBondContact O-CA 3.32Å; D314-L334 WeakPolarHBondContact O-CB 3.3Å; D314-L334 PolarHBondContact O-N 2.88Å
315K94.5Very high93.6Very high43 Ų4349.2 Ų49.219%0.18727%0.269CS..EExtended strand (participates in β ladder)trans-126.9157.2176.3-56.9173.7174.9176.40112.6E296 Y311 L331 E332 V333E296-K315 IonicContact OE2-NZ 3.08Å; E296-K315 PolarHBondContact OE2-NZ 2.88Å; Y311-K315 HydrophobicContact CD1-CD 4.45Å; Y311-K315 PolarHBondContact N-O 2.88Å; Y311-K315 VanDerWaalsContact O-CB 3.3Å; Y311-K315 WeakPolarHBondContact O-CB 3.48Å; Y311-K315 PolarHBondContact O-N 3.35Å; K315-L331 HydrophobicContact CB-CD1 4.04Å; K315-L331 HydrophobicContact CD-CD1 4.22Å; K315-L331 HydrophobicContact CD-CD2 4Å; K315-L331 HydrophobicContact CD-CG 4.05Å; K315-E332 CarbonylContact C-O 3.5Å; K315-E332 VanDerWaalsContact CA-O 3.23Å; K315-E332 WeakPolarHBondContact CA-O 3.49Å; K315-E332 WeakPolarHBondContact CB-O 3.23Å; K315-V333 HydrophobicContact CG-CG2 4.34Å
316V94.9Very high93.3Very high1 Ų155.4 Ų55.41%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-120.8135.8170.9167.20000108.3T318 L331 E332 L334 A340 V343 I344V316-T318 HydrophobicContact CG1-CG2 3.74Å; V316-L331 WeakPolarHBondContact O-CA 3.48Å; V316-E332 PolarHBondContact N-O 3.43Å; V316-E332 PolarHBondContact O-N 3.44Å; V316-L334 HydrophobicContact CG2-CD1 4.41Å; V316-L334 HydrophobicContact CG2-CD2 3.35Å; V316-L334 HydrophobicContact CG2-CG 3.86Å; V316-A340 HydrophobicContact CG2-CB 3.78Å; V316-V343 HydrophobicContact CB-CG1 4.25Å; V316-V343 HydrophobicContact CG1-CG1 4.28Å; V316-V343 HydrophobicContact CG2-CB 4.37Å; V316-V343 HydrophobicContact CG2-CG1 4.37Å; V316-I344 HydrophobicContact CG1-CD1 3.95Å; V316-I344 HydrophobicContact CG1-CG1 3.36Å; V316-I344 HydrophobicContact CG2-CG1 4.48Å
317F95.5Very high93.1Very high0 Ų055 Ų550%028%0.282CS..EExtended strand (participates in β ladder)trans-108.2124.5171.7-179.9-141.2000109.4M272 C292 V294 I303 G308 S309 K330 L331M272-F317 HydrophobicContact SD-CD2 4.5Å; M272-F317 HydrophobicContact SD-CE2 3.83Å; C292-F317 HydrophobicContact CB-CE1 4.32Å; C292-F317 HydrophobicContact CB-CE2 4.07Å; C292-F317 HydrophobicContact CB-CZ 3.47Å; C292-F317 VanDerWaalsContact CB-CZ 3.47Å; C292-F317 WeakPolarHBondContact O-CE1 3.38Å; V294-F317 HydrophobicContact CB-CD1 4.3Å; V294-F317 HydrophobicContact CB-CD2 4.33Å; V294-F317 HydrophobicContact CB-CE1 4.11Å; V294-F317 HydrophobicContact CB-CE2 4.18Å; V294-F317 HydrophobicContact CB-CG 4.4Å; V294-F317 HydrophobicContact CB-CZ 4.06Å; V294-F317 HydrophobicContact CG1-CB 4.47Å; V294-F317 HydrophobicContact CG1-CD1 3.51Å; V294-F317 HydrophobicContact CG1-CD2 4.28Å; V294-F317 HydrophobicContact CG1-CE1 3.63Å; V294-F317 HydrophobicContact CG1-CE2 4.41Å; V294-F317 HydrophobicContact CG1-CG 3.85Å; V294-F317 HydrophobicContact CG1-CZ 4.09Å; I303-F317 HydrophobicContact CD1-CB 4.36Å; I303-F317 HydrophobicContact CD1-CD1 3.41Å; I303-F317 VanDerWaalsContact CD1-CD1 3.41Å; I303-F317 HydrophobicContact CD1-CD2 4.39Å; I303-F317 HydrophobicContact CD1-CE1 3.72Å; I303-F317 HydrophobicContact CD1-CG 3.8Å; I303-F317 HydrophobicContact CD1-CZ 4.31Å; I303-F317 VanDerWaalsContact CD1-O 3.25Å; I303-F317 WeakPolarHBondContact CD1-O 3.36Å; I303-F317 HydrophobicContact CG1-CD1 3.74Å; I303-F317 HydrophobicContact CG1-CE1 3.56Å; I303-F317 HydrophobicContact CG1-CZ 4.22Å; I303-F317 HydrophobicContact CG2-CD1 4.18Å; I303-F317 HydrophobicContact CG2-CE1 4.47Å; G308-F317 CarbonylContact C-O 3.47Å; G308-F317 WeakPolarHBondContact CA-O 3.44Å; S309-F317 PolarHBondContact N-O 2.77Å; S309-F317 PolarHBondContact O-N 3.35Å; F317-K330 WeakPolarHBondContact CA-O 3.3Å; F317-K330 WeakPolarHBondContact CD2-O 3.4Å; F317-L331 HydrophobicContact CB-CD1 4.06Å
318T96.5Very high92.9Very high2 Ų258 Ų581%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-121.3148.8176.162.20000111.2V316 G329 K330 I344 H347 V349V316-T318 HydrophobicContact CG1-CG2 3.74Å; T318-G329 CarbonylContact O-C 3.48Å; T318-G329 VanDerWaalsContact O-CA 3.31Å; T318-G329 WeakPolarHBondContact O-CA 3.33Å; T318-K330 PolarHBondContact N-O 2.85Å; T318-K330 PolarHBondContact O-N 2.95Å; T318-I344 HydrophobicContact CG2-CG1 4.3Å; T318-H347 HydrophobicContact CG2-CB 4.09Å; T318-V349 HydrophobicContact CG2-CG2 3.94Å
319C96.8Very high92.7Very high0 Ų058.7 Ų58.70%030%0.303CS..EExtended strand (participates in β ladder)trans-131.8105.9174.6-171.40000108.6C292 I303 G306 C307 E328C292-C319 HydrophobicContact CB-CB 3.5Å; C292-C319 VanDerWaalsContact CB-CB 3.5Å; C292-C319 WeakPolarHBondContact CB-SG 3.08Å; C292-C319 PolarHBondContact N-SG 2.81Å; C292-C319 VanDerWaalsContact SG-CA 3.53Å; C292-C319 WeakPolarHBondContact SG-CB 3.34Å; C292-C319 CovalentContact SG-SG 2.03Å; C292-C319 PolarHBondContact SG-SG 2.83Å; I303-C319 HydrophobicContact CD1-CB 3.89Å; I303-C319 HydrophobicContact CG1-CB 3.68Å; G306-C319 WeakPolarHBondContact CA-O 3.48Å; G306-C319 PolarHBondContact N-O 2.82Å; C307-C319 PolarHBondContact O-N 3.37Å; C319-E328 WeakPolarHBondContact CA-O 3.42Å
320R95.4Very high92.6Very high73 Ų7361.8 Ų61.828%0.27532%0.315SS..EExtended strand (participates in β ladder)trans-123149.1-173.270.7179.1-177.71692.5112.1L322 T327 E328 V349R320-L322 HydrophobicContact CG-CD2 4.29Å; R320-T327 WeakPolarHBondContact O-CA 3.01Å; R320-E328 HydrophobicContact CG-CB 4.25Å; R320-E328 IonicContact CZ-OE2 2.8Å; R320-E328 PolarHBondContact N-O 3Å; R320-E328 IonicContact NE-OE2 2.71Å; R320-E328 PolarHBondContact NE-OE2 2.8Å; R320-E328 IonicContact NH2-OE2 3.13Å; R320-E328 PolarHBondContact NH2-OE2 3.42Å; R320-E328 PolarHBondContact O-N 3Å; R320-V349 HydrophobicContact CB-CG1 3.65Å
321Q94.2Very high92.5Very high129 Ų12961.4 Ų61.460%0.60331%0.309SS*.EExtended strand (participates in β ladder)trans-91.1126.5168.5-164.5169.329.200109.2V305V305-Q321 HydrophobicContact CG1-CB 3.95Å
322L92.8Very high92.5Very high55 Ų5564.1 Ų64.129%0.28832%0.322SS..  trans-83.1165.6176.9-62.2179.1000110.5R320 D324 G325 Y326 E328R320-L322 HydrophobicContact CG-CD2 4.29Å; L322-D324 WeakPolarHBondContact CB-OD1 3.01Å; L322-D324 PolarHBondContact O-N 3.41Å; L322-G325 PolarHBondContact O-N 2.8Å; L322-Y326 WeakPolarHBondContact CB-O 3.38Å; L322-Y326 PolarHBondContact N-O 2.92Å; L322-E328 HydrophobicContact CD1-CB 4.15Å; L322-E328 HydrophobicContact CG-CB 4.26Å
323R87.7Confident92.6Very high243 Ų24366.6 Ų66.692%0.91733%0.33SS*.THydrogen-bonded Turntrans-66.8-23.1-175.4-72.9-177.2173.6-178.9-4.5114.1G325R323-G325 VanDerWaalsContact C-N 3.28Å
324D87.8Confident92.7Very high108 Ų10863.6 Ų63.658%0.57831%0.308SS*.THydrogen-bonded Turntrans-85.2-1.1176539.2000112.7L322 Y326L322-D324 WeakPolarHBondContact CB-OD1 3.01Å; L322-D324 PolarHBondContact O-N 3.41Å; D324-Y326 HydrophobicContact CB-CD2 4.13Å; D324-Y326 VanDerWaalsContact CG-CD2 3.44Å; D324-Y326 PolarHBondContact OD1-N 3.36Å; D324-Y326 WeakPolarHBondContact OD2-CD2 3.42Å
325G85.1Confident92.6Very high44 Ų4463 Ų6345%0.45431%0.308SS..SBendtrans92.9-7.1178.200000114.5L322 R323L322-G325 PolarHBondContact O-N 2.8Å; R323-G325 VanDerWaalsContact C-N 3.28Å
326Y90.1Very high92.3Very high169 Ų16971.3 Ų71.366%0.66334%0.344SS*.  trans-73.2152.3176.4-69.8-77.9000111.9L322 D324L322-Y326 WeakPolarHBondContact CB-O 3.38Å; L322-Y326 PolarHBondContact N-O 2.92Å; D324-Y326 HydrophobicContact CB-CD2 4.13Å; D324-Y326 VanDerWaalsContact CG-CD2 3.44Å; D324-Y326 PolarHBondContact OD1-N 3.36Å; D324-Y326 WeakPolarHBondContact OD2-CD2 3.42Å
327T92Very high92.1Very high21 Ų2175.5 Ų75.513%0.12939%0.388CS..EExtended strand (participates in β ladder)trans-104.8126.2175-610000110.6Y274 V289 V305 R320Y274-T327 HydrophobicContact CE1-CG2 4.44Å; Y274-T327 PolarHBondContact OH-O 3Å; V289-T327 HydrophobicContact CB-CG2 4.16Å; V289-T327 HydrophobicContact CG1-CG2 3.6Å; V305-T327 HydrophobicContact CG2-CG2 3.7Å; R320-T327 WeakPolarHBondContact O-CA 3.01Å
328E93.1Very high91.9Very high66 Ų6681.6 Ų81.631%0.30841%0.414SS..EExtended strand (participates in β ladder)trans-112.3120.6178.3-173.9-176.2-135.500110.2C319 R320 L322C319-E328 WeakPolarHBondContact CA-O 3.42Å; R320-E328 HydrophobicContact CG-CB 4.25Å; R320-E328 IonicContact CZ-OE2 2.8Å; R320-E328 PolarHBondContact N-O 3Å; R320-E328 IonicContact NE-OE2 2.71Å; R320-E328 PolarHBondContact NE-OE2 2.8Å; R320-E328 IonicContact NH2-OE2 3.13Å; R320-E328 PolarHBondContact NH2-OE2 3.42Å; R320-E328 PolarHBondContact O-N 3Å; L322-E328 HydrophobicContact CD1-CB 4.15Å; L322-E328 HydrophobicContact CG-CB 4.26Å
329G93.2Very high91.7Very high15 Ų1584 Ų8416%0.15543%0.431CS..EExtended strand (participates in β ladder)trans-93126.8165.100000109.5T318T318-G329 CarbonylContact O-C 3.48Å; T318-G329 VanDerWaalsContact O-CA 3.31Å; T318-G329 WeakPolarHBondContact O-CA 3.33Å
330K93.6Very high91.5Very high70 Ų7085 Ų8530%0.30444%0.439SS..EExtended strand (participates in β ladder)trans-126.9129.9179.3-166.3-173.7-178.4-160.40110.5F317 T318 E332F317-K330 WeakPolarHBondContact CA-O 3.3Å; F317-K330 WeakPolarHBondContact CD2-O 3.4Å; T318-K330 PolarHBondContact N-O 2.85Å; T318-K330 PolarHBondContact O-N 2.95Å; K330-E332 IonicContact NZ-OE1 3.95Å; K330-E332 PolarHBondContact NZ-OE1 2.78Å; K330-E332 VanDerWaalsContact NZ-OE1 3.08Å; K330-E332 IonicContact NZ-OE2 3.44Å; K330-E332 PolarHBondContact NZ-OE2 3.29Å
331L93.1Very high91.4Very high43 Ų4387.7 Ų87.723%0.22545%0.453CS..EExtended strand (participates in β ladder)trans-107.1119.5168.9-172.568.9000108.6M272 V294 E296 Y311 K315 V316 F317M272-L331 HydrophobicContact CE-CB 4.12Å; M272-L331 HydrophobicContact CE-CD2 4.37Å; V294-L331 HydrophobicContact CG2-CD2 4.05Å; E296-L331 WeakPolarHBondContact OE2-CD2 3.43Å; Y311-L331 HydrophobicContact CD1-CD1 3.63Å; Y311-L331 HydrophobicContact CD1-CD2 4.37Å; Y311-L331 HydrophobicContact CE1-CD1 4.34Å; Y311-L331 HydrophobicContact CE1-CD2 4.39Å; Y311-L331 HydrophobicContact CG-CD1 3.96Å; K315-L331 HydrophobicContact CB-CD1 4.04Å; K315-L331 HydrophobicContact CD-CD1 4.22Å; K315-L331 HydrophobicContact CD-CD2 4Å; K315-L331 HydrophobicContact CD-CG 4.05Å; V316-L331 WeakPolarHBondContact O-CA 3.48Å; F317-L331 HydrophobicContact CB-CD1 4.06Å
332E92.8Very high91.4Very high62 Ų6285.4 Ų85.429%0.2945%0.446SS..EExtended strand (participates in β ladder)trans-132.3140.4-173.4-178.7162.8-14700110.8K315 V316 K330 H347K315-E332 CarbonylContact C-O 3.5Å; K315-E332 VanDerWaalsContact CA-O 3.23Å; K315-E332 WeakPolarHBondContact CA-O 3.49Å; K315-E332 WeakPolarHBondContact CB-O 3.23Å; V316-E332 PolarHBondContact N-O 3.43Å; V316-E332 PolarHBondContact O-N 3.44Å; K330-E332 IonicContact NZ-OE1 3.95Å; K330-E332 PolarHBondContact NZ-OE1 2.78Å; K330-E332 VanDerWaalsContact NZ-OE1 3.08Å; K330-E332 IonicContact NZ-OE2 3.44Å; K330-E332 PolarHBondContact NZ-OE2 3.29Å; E332-H347 IonicContact OE2-CE1 2.74Å; E332-H347 PolarHBondContact OE2-CE1 2.79Å; E332-H347 IonicContact OE2-NE2 2.79Å; E332-H347 PolarHBondContact OE2-NE2 2.88Å
333V93.5Very high91.4Very high86 Ų8683.1 Ų83.152%0.52143%0.434SS..EExtended strand (participates in β ladder)trans-72.1133.3175.2-178.40000109.1D314 K315 P335D314-V333 CarbonylContact O-C 3.51Å; D314-V333 WeakPolarHBondContact O-CA 3.32Å; K315-V333 HydrophobicContact CG-CG2 4.34Å; V333-P335 VanDerWaalsContact O-CD 3.23Å; V333-P335 WeakPolarHBondContact O-CD 3.33Å
334L92.2Very high91.8Very high38 Ų3871.6 Ų71.620%0.19939%0.39CS..  trans-60.2115174.5-78.3168.8000109.9D314 V316 K336 A340 V343D314-L334 WeakPolarHBondContact O-CB 3.3Å; D314-L334 PolarHBondContact O-N 2.88Å; V316-L334 HydrophobicContact CG2-CD1 4.41Å; V316-L334 HydrophobicContact CG2-CD2 3.35Å; V316-L334 HydrophobicContact CG2-CG 3.86Å; L334-K336 PolarHBondContact O-N 3.03Å; L334-A340 HydrophobicContact CD2-CB 3.96Å; L334-V343 HydrophobicContact CD2-CB 4.46Å; L334-V343 HydrophobicContact CD2-CG2 4Å
335P90.4Very high92Very high56 Ų5669 Ų6936%0.36438%0.383SS..  trans-62.1138.7175.2-21.334.2000110.4V333 G337 K338 V343V333-P335 VanDerWaalsContact O-CD 3.23Å; V333-P335 WeakPolarHBondContact O-CD 3.33Å; P335-G337 PolarHBondContact O-N 2.76Å; P335-K338 HydrophobicContact CB-CB 4.41Å; P335-K338 HydrophobicContact CB-CD 4.29Å; P335-K338 HydrophobicContact CB-CG 4.3Å; P335-K338 HydrophobicContact CG-CD 4.28Å; P335-K338 PolarHBondContact O-N 3.08Å; P335-V343 HydrophobicContact CG-CG2 4.4Å
336K88.3Confident92.5Very high216 Ų21670.7 Ų70.794%0.93939%0.388SS*.THydrogen-bonded Turntrans-52.8128.3177.8-71.6-174.6179-179.50110.5L334 K338L334-K336 PolarHBondContact O-N 3.03Å; K336-K338 VanDerWaalsContact C-N 3.34Å
337G89.9Confident92.6Very high90 Ų9063.4 Ų63.493%0.92836%0.36SS*.THydrogen-bonded Turntrans83.3-3.5179.400000115.7P335P335-G337 PolarHBondContact O-N 2.76Å
338K91.2Very high92.7Very high127 Ų12772.6 Ų72.655%0.55239%0.393SS*.  trans-97.9141.8171-68.3-162175.8-172.40111.1P335 K336 V343P335-K338 HydrophobicContact CB-CB 4.41Å; P335-K338 HydrophobicContact CB-CD 4.29Å; P335-K338 HydrophobicContact CB-CG 4.3Å; P335-K338 HydrophobicContact CG-CD 4.28Å; P335-K338 PolarHBondContact O-N 3.08Å; K336-K338 VanDerWaalsContact C-N 3.34Å; K338-V343 HydrophobicContact CB-CG2 4.19Å; K338-V343 HydrophobicContact CD-CG2 4.49Å
339S92.5Very high92.8Very high52 Ų5270.2 Ų70.236%0.36438%0.383SS..  trans-77.6157.7170.674.40000110.7F341 D342 V343S339-F341 PolarHBondContact O-N 3.24Å; S339-F341 PolarHBondContact OG-N 2.72Å; S339-D342 WeakPolarHBondContact CB-OD2 3.48Å; S339-D342 PolarHBondContact N-OD2 2.04Å; S339-D342 PolarHBondContact O-N 3.28Å; S339-D342 VanDerWaalsContact O-N 3.17Å; S339-D342 PolarHBondContact OG-N 2.88Å; S339-D342 VanDerWaalsContact OG-N 3.13Å; S339-D342 PolarHBondContact OG-OD2 2.97Å; S339-V343 PolarHBondContact O-N 2.79Å
340A92.9Very high92.9Very high21 Ų2177.8 Ų77.817%0.17441%0.407CS..Hα-helixtrans-57.2-34.9170.800000112.2V316 L334 V343 I344V316-A340 HydrophobicContact CG2-CB 3.78Å; L334-A340 HydrophobicContact CD2-CB 3.96Å; A340-V343 PolarHBondContact O-N 3.19Å; A340-I344 WeakPolarHBondContact O-CB 3.35Å; A340-I344 WeakPolarHBondContact O-CD1 3.18Å; A340-I344 WeakPolarHBondContact O-CG1 3.49Å; A340-I344 PolarHBondContact O-N 3.07Å
341F93.6Very high92.9Very high130 Ų13079.4 Ų79.457%0.5741%0.414SS*.Hα-helixtrans-59.8-46.6175.9-175.1-92.9000111.8S339 V343 I344 A345 F351S339-F341 PolarHBondContact O-N 3.24Å; S339-F341 PolarHBondContact OG-N 2.72Å; F341-V343 VanDerWaalsContact C-N 3.34Å; F341-V343 PolarHBondContact O-N 3.28Å; F341-I344 PolarHBondContact O-N 2.9Å; F341-A345 VanDerWaalsContact O-CB 3.3Å; F341-A345 WeakPolarHBondContact O-CB 3.45Å; F341-A345 PolarHBondContact O-N 2.84Å; F341-F351 HydrophobicContact CD2-CB 4.4Å
342D93.5Very high92.9Very high82 Ų8280.8 Ų80.844%0.43943%0.426SS..Hα-helixtrans-63-40.5179.7-57.7-46.3000112S339 S346S339-D342 WeakPolarHBondContact CB-OD2 3.48Å; S339-D342 PolarHBondContact N-OD2 2.04Å; S339-D342 PolarHBondContact O-N 3.28Å; S339-D342 VanDerWaalsContact O-N 3.17Å; S339-D342 PolarHBondContact OG-N 2.88Å; S339-D342 VanDerWaalsContact OG-N 3.13Å; S339-D342 PolarHBondContact OG-OD2 2.97Å; D342-S346 PolarHBondContact O-N 2.83Å
343V93.7Very high92.9Very high6 Ų681.7 Ų81.74%0.03643%0.433CS..Hα-helixtrans-67.4-46.1178.3178.80000110.6V316 L334 P335 K338 S339 A340 F341 A345 S346 H347V316-V343 HydrophobicContact CB-CG1 4.25Å; V316-V343 HydrophobicContact CG1-CG1 4.28Å; V316-V343 HydrophobicContact CG2-CB 4.37Å; V316-V343 HydrophobicContact CG2-CG1 4.37Å; L334-V343 HydrophobicContact CD2-CB 4.46Å; L334-V343 HydrophobicContact CD2-CG2 4Å; P335-V343 HydrophobicContact CG-CG2 4.4Å; K338-V343 HydrophobicContact CB-CG2 4.19Å; K338-V343 HydrophobicContact CD-CG2 4.49Å; S339-V343 PolarHBondContact O-N 2.79Å; A340-V343 PolarHBondContact O-N 3.19Å; F341-V343 VanDerWaalsContact C-N 3.34Å; F341-V343 PolarHBondContact O-N 3.28Å; V343-A345 PolarHBondContact O-N 3.21Å; V343-S346 WeakPolarHBondContact O-CB 3.48Å; V343-S346 PolarHBondContact O-N 3.03Å; V343-S346 PolarHBondContact O-OG 2.89Å; V343-H347 PolarHBondContact O-CD2 3.35Å; V343-H347 VanDerWaalsContact O-CD2 3.23Å; V343-H347 PolarHBondContact O-N 3.23Å
344I95.3Very high92.9Very high2 Ų281.5 Ų81.51%0.0143%0.428CS..Hα-helixtrans-60.7-45.1177.3-71.9167.3000110.7G308 V316 T318 A340 F341 S346 H347 V349 F351G308-I344 VanDerWaalsContact C-CD1 3.45Å; V316-I344 HydrophobicContact CG1-CD1 3.95Å; V316-I344 HydrophobicContact CG1-CG1 3.36Å; V316-I344 HydrophobicContact CG2-CG1 4.48Å; T318-I344 HydrophobicContact CG2-CG1 4.3Å; A340-I344 WeakPolarHBondContact O-CB 3.35Å; A340-I344 WeakPolarHBondContact O-CD1 3.18Å; A340-I344 WeakPolarHBondContact O-CG1 3.49Å; A340-I344 PolarHBondContact O-N 3.07Å; F341-I344 PolarHBondContact O-N 2.9Å; I344-S346 VanDerWaalsContact C-N 3.3Å; I344-S346 PolarHBondContact O-N 3.2Å; I344-H347 WeakPolarHBondContact O-CB 3.06Å; I344-H347 PolarHBondContact O-N 2.81Å; I344-H347 VanDerWaalsContact O-N 3.09Å; I344-V349 HydrophobicContact CG2-CG2 3.82Å; I344-V349 WeakPolarHBondContact O-CG2 3.07Å; I344-F351 HydrophobicContact CD1-CD2 3.29Å; I344-F351 HydrophobicContact CD1-CE2 3.51Å; I344-F351 HydrophobicContact CD1-CG 4.39Å
345A93.1Very high92.9Very high52 Ų5283.9 Ų83.943%0.4344%0.441SS..Hα-helixtrans-62-36.617700000112.3F341 V343 H347 R348F341-A345 VanDerWaalsContact O-CB 3.3Å; F341-A345 WeakPolarHBondContact O-CB 3.45Å; F341-A345 PolarHBondContact O-N 2.84Å; V343-A345 PolarHBondContact O-N 3.21Å; A345-H347 PolarHBondContact O-N 2.97Å; A345-R348 WeakPolarHBondContact O-CA 3.24Å; A345-R348 PolarHBondContact O-N 2.97Å
346S93.8Very high93Very high80 Ų8085.5 Ų85.556%0.55945%0.446SS*.Hα-helixtrans-62.7-26.9176.281.10000113.3D342 V343 I344 R348D342-S346 PolarHBondContact O-N 2.83Å; V343-S346 WeakPolarHBondContact O-CB 3.48Å; V343-S346 PolarHBondContact O-N 3.03Å; V343-S346 PolarHBondContact O-OG 2.89Å; I344-S346 VanDerWaalsContact C-N 3.3Å; I344-S346 PolarHBondContact O-N 3.2Å; S346-R348 VanDerWaalsContact C-N 3.28Å
347H93.1Very high93.3Very high16 Ų1677.4 Ų77.47%0.07442%0.415CS..THydrogen-bonded Turntrans-83.90.6173.7-72.9-64.3000113.7T318 E332 V343 I344 A345 V349T318-H347 HydrophobicContact CG2-CB 4.09Å; E332-H347 IonicContact OE2-CE1 2.74Å; E332-H347 PolarHBondContact OE2-CE1 2.79Å; E332-H347 IonicContact OE2-NE2 2.79Å; E332-H347 PolarHBondContact OE2-NE2 2.88Å; V343-H347 PolarHBondContact O-CD2 3.35Å; V343-H347 VanDerWaalsContact O-CD2 3.23Å; V343-H347 PolarHBondContact O-N 3.23Å; I344-H347 WeakPolarHBondContact O-CB 3.06Å; I344-H347 PolarHBondContact O-N 2.81Å; I344-H347 VanDerWaalsContact O-N 3.09Å; A345-H347 PolarHBondContact O-N 2.97Å; H347-V349 VanDerWaalsContact C-N 3.26Å; H347-V349 HydrophobicContact CB-CG2 3.94Å; H347-V349 PolarHBondContact O-N 3.46Å
348R93.3Very high93.6Very high214 Ų21476.5 Ų76.581%0.80838%0.381SS*.THydrogen-bonded Turntrans57.936.6-179.2-53.9-179.3-178.7-175.3-1.2113.3A345 S346A345-R348 WeakPolarHBondContact O-CA 3.24Å; A345-R348 PolarHBondContact O-N 2.97Å; S346-R348 VanDerWaalsContact C-N 3.28Å
349V95.6Very high93.7Very high16 Ų1672.9 Ų72.910%0.09737%0.369CS..  trans-117.5157.5173.3-70.10000109.4G306 T318 R320 I344 H347G306-V349 WeakPolarHBondContact O-CA 3.35Å; G306-V349 VanDerWaalsContact O-CB 3.26Å; G306-V349 WeakPolarHBondContact O-CB 3.36Å; T318-V349 HydrophobicContact CG2-CG2 3.94Å; R320-V349 HydrophobicContact CB-CG1 3.65Å; I344-V349 HydrophobicContact CG2-CG2 3.82Å; I344-V349 WeakPolarHBondContact O-CG2 3.07Å; H347-V349 VanDerWaalsContact C-N 3.26Å; H347-V349 HydrophobicContact CB-CG2 3.94Å; H347-V349 PolarHBondContact O-N 3.46Å
350R94.9Very high93.8Very high174 Ų17474.5 Ų74.566%0.65737%0.369SS*.EExtended strand (participates in β ladder)trans-84.8152.2176.863.9179.4179.3178.71.1110.7G306 C307 G308 C352G306-R350 WeakPolarHBondContact O-CG 3.5Å; G306-R350 PolarHBondContact O-N 3.1Å; C307-R350 CarbonylContact C-O 3.57Å; C307-R350 WeakPolarHBondContact CA-O 3.11Å; G308-R350 PolarHBondContact N-O 3.21Å; R350-C352 PolarHBondContact O-N 3.06Å
351F93.9Very high93.9Very high104 Ų10479 Ų7946%0.45639%0.385SS..EExtended strand (participates in β ladder)trans-69128.5170-164.3-85.1000109.9G308 F341 I344G308-F351 WeakPolarHBondContact O-CA 3.26Å; F341-F351 HydrophobicContact CD2-CB 4.4Å; I344-F351 HydrophobicContact CD1-CD2 3.29Å; I344-F351 HydrophobicContact CD1-CE2 3.51Å; I344-F351 HydrophobicContact CD1-CG 4.39Å
352C93.3Very high93.9Very high72 Ų7274.4 Ų74.449%0.48637%0.368SS..  trans-134.10171.1-49.60000107.1C307 G308 S309 R350C307-C352 HydrophobicContact CB-CB 3.54Å; C307-C352 WeakPolarHBondContact CB-SG 3.35Å; C307-C352 WeakPolarHBondContact SG-CB 3.41Å; C307-C352 CovalentContact SG-SG 2.04Å; C307-C352 PolarHBondContact SG-SG 2.66Å; G308-C352 PolarHBondContact O-N 3.44Å; S309-C352 WeakPolarHBondContact CA-OXT 3.24Å; S309-C352 WeakPolarHBondContact CB-OXT 3.42Å; S309-C352 PolarHBondContact OG-OXT 3.39Å; R350-C352 PolarHBondContact O-N 3.06Å

Retrieved 352 of 352 residues in 218.8 ms (Link to these results)