A0A3Q0KUH8_SCHMA Loading...

Ribonuclease P protein subunit p29

Component of ribonuclease P, a ribonucleoprotein complex that generates mature tRNA molecules by cleaving their 5'-ends.

AlphaFold DB , UniProt , Accession A0A3Q0KUH8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 290 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low42.3Very low248 Ų248186.5 Ų186.5100%1.22288%0.879SS**  0128.50-78.3-169.6169.500109.6
2T36.5Very low41.9Very low130 Ų130190.6 Ų190.680%0.79888%0.879SS**  trans-126.8126.6-151.436.50000110.9
3K43.8Very low41.4Very low224 Ų224190.6 Ų190.697%0.97488%0.88SS**  trans-140.279.2147.3-75-167.7179.2177.30108.1
4K44.7Very low41Very low187 Ų187188.9 Ų188.981%0.81388%0.879SS**  trans-106133.2170.4-115.7178.5-178.8173.10107.5
5K43.5Very low40.5Very low191 Ų191182.7 Ų182.783%0.8387%0.865SS**  trans59.696.1151-63.9-176.3173.9-173.20118.5
6L40.7Very low40.1Very low171 Ų171184.5 Ų184.590%0.89587%0.868SS**  trans-150132.6151.7-98.9142.2000106.1
7S44.2Very low39.8Very low89 Ų89183.4 Ų183.462%0.62286%0.863SS**  cis-154.8135.2-28.959.60000104K9S7-K9 PolarHBondContact O-N 3.35Å
8E43.9Very low39.5Very low202 Ų202182.9 Ų182.994%0.94486%0.859SS**  trans-80.436.2-171.5-149.1166.8-176.500111.6
9K47.9Very low39.1Very low180 Ų180180.9 Ų180.978%0.78385%0.853SS**  trans-114.117.2-159.6-141.3-179.2-177.4-175.80115.7S7S7-K9 PolarHBondContact O-N 3.35Å
10H40.5Very low38.7Very low188 Ų188176.6 Ų176.687%0.8784%0.842SS**SBendtrans-125.626.4178-92.750.7000114.3
11R40Very low38.3Very low242 Ų242177.3 Ų177.391%0.91384%0.841SS**  trans-110.325.1-177.7-99.5-171.1177.3-171.61.2115.5
12R38.2Very low38.1Very low235 Ų235174.8 Ų174.889%0.88783%0.826SS**  trans-128.7141.9175.2-65.4-177.3-178.3167.60.5109.2
13E34.9Very low37.8Very low191 Ų191174.4 Ų174.489%0.89382%0.824SS**  trans86.862.9175.3-57.2175.7-176.400116.7
14I35.7Very low37.2Very low167 Ų167171.8 Ų171.886%0.85682%0.821SS**  trans-118.7109.8136.3-60177.1000106
15S33.3Very low37Very low96 Ų96167.8 Ų167.867%0.67182%0.816SS**  trans-58.2133.1-174.749.50000111.3Q17S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 3.43Å
16K35.4Very low36.6Very low211 Ų211167.5 Ų167.592%0.91782%0.818SS**  trans-71.289.1169.6-68.3175.8-179.8174.60108.1H18K16-H18 PolarHBondContact O-N 3.42Å
17Q33.5Very low36.4Very low166 Ų166162 Ų16278%0.77680%0.802SS**  trans-72.3109.9164.1-79.9-173.6-14.700109.1S15 I19S15-Q17 VanDerWaalsContact C-N 3.33Å; S15-Q17 PolarHBondContact O-N 3.43Å; Q17-I19 PolarHBondContact O-N 3.04Å
18H35Very low36.1Very low174 Ų174163.7 Ų163.781%0.80680%0.803SS**  trans-74.593.6174-173.7-75.9000108.8K16 P20K16-H18 PolarHBondContact O-N 3.42Å; H18-P20 WeakPolarHBondContact O-CD 3.43Å
19I32.2Very low36Very low145 Ų145158.3 Ų158.374%0.74478%0.784SS**  trans-76.5118.8173.2-59.2171.9000108Q17Q17-I19 PolarHBondContact O-N 3.04Å
20P30.7Very low35.9Very low95 Ų95152.6 Ų152.662%0.61776%0.764SS**  trans-67.4136.1178.626.8-30.7000110.5H18 Q22H18-P20 WeakPolarHBondContact O-CD 3.43Å; P20-Q22 PolarHBondContact O-N 3.49Å
21K29.8Very low36.6Very low192 Ų192145.6 Ų145.684%0.83573%0.734SS**  trans-62.1103.7175.2-69.3172.3179.3171.90109.8T23K21-T23 PolarHBondContact O-N 3.08Å
22Q35.1Very low37.8Very low194 Ų194135 Ų13591%0.90770%0.697SS**  trans-83.199.9158.6-76.9-173.4-2.600108.8P20 N24P20-Q22 PolarHBondContact O-N 3.49Å; Q22-N24 PolarHBondContact O-N 2.85Å
23T31.7Very low39.3Very low122 Ų122129 Ų12975%0.74868%0.679SS**  trans-74.599.5168.243.50000109.1K21K21-T23 PolarHBondContact O-N 3.08Å
24N31.4Very low41Very low170 Ų170123.8 Ų123.891%0.90965%0.654SS**  trans-151.676.4160.8-98-14.2000108.9Q22Q22-N24 PolarHBondContact O-N 2.85Å
25S38.8Very low42.5Very low102 Ų102116.8 Ų116.871%0.71362%0.619SS**  trans-127.191.5162.5560000108.5G27S25-G27 PolarHBondContact O-N 3.06Å
26Q36.8Very low44.2Very low186 Ų186115.4 Ų115.487%0.86960%0.599SS**  trans-55.2108.6154.7-75.2175.2-21.400106.1I28Q26-I28 PolarHBondContact O-N 3.09Å
27G34.7Very low46Very low54 Ų54106.5 Ų106.556%0.55757%0.567SS**  trans-67.892.7-174.800000110.3S25 T29S25-G27 PolarHBondContact O-N 3.06Å; G27-T29 PolarHBondContact O-N 3.5Å; G27-T29 VanDerWaalsContact O-N 3.07Å
28I39.1Very low48Very low125 Ų125100.4 Ų100.464%0.64154%0.538SS*.  trans-67.3106.1173.8-62.1170000108Q26 V30 P57Q26-I28 PolarHBondContact O-N 3.09Å; I28-V30 HydrophobicContact CG2-CG2 4.02Å; I28-V30 PolarHBondContact O-N 2.96Å; I28-P57 WeakPolarHBondContact O-CD 2.79Å; I28-P57 WeakPolarHBondContact O-CG 3.26Å
29T42.6Very low49.8Very low90 Ų9093.3 Ų93.355%0.55251%0.507SS*.  trans-77.2107.6175.247.50000109.9G27 V31G27-T29 PolarHBondContact O-N 3.5Å; G27-T29 VanDerWaalsContact O-N 3.07Å; T29-V31 PolarHBondContact O-N 2.79Å
30V45.7Very low52Low59 Ų5991.9 Ų91.936%0.35849%0.492SS..  trans-95.977.3-177.2-174.70000111.5I28 W55 I136I28-V30 HydrophobicContact CG2-CG2 4.02Å; I28-V30 PolarHBondContact O-N 2.96Å; V30-W55 HydrophobicContact CB-CB 4.48Å; V30-W55 HydrophobicContact CB-CG 4.38Å; V30-W55 VanDerWaalsContact O-CD2 3.27Å; V30-W55 PolarHBondContact O-NE1 2.95Å; V30-I136 HydrophobicContact CG1-CD1 4.08Å
31V54.6Low54.4Low41 Ų4196.1 Ų96.125%0.24850%0.496CS..  trans-72.8133175.4-176.70000110.1T29 E33 R36T29-V31 PolarHBondContact O-N 2.79Å; V31-E33 PolarHBondContact O-N 2.86Å; V31-R36 HydrophobicContact CG1-CB 4.15Å; V31-R36 HydrophobicContact CG1-CG 4.46Å
32S65.3Low56.7Low19 Ų1991.9 Ų91.913%0.13348%0.479CS..  trans-66.8103.8169.4173.10000108.5F34 V35 R36 S132S32-F34 PolarHBondContact O-N 3.22Å; S32-V35 PolarHBondContact O-N 2.98Å; S32-V35 VanDerWaalsContact O-N 3.14Å; S32-V35 PolarHBondContact OG-N 3Å; S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.21Å; S32-S132 PolarHBondContact OG-OG 2.92Å
33E69Low58.6Low110 Ų11084.8 Ų84.851%0.51445%0.449SS..Hα-helixtrans-57.7-30.7178-75.9-59.2138.300112V31 R36 G37V31-E33 PolarHBondContact O-N 2.86Å; E33-R36 VanDerWaalsContact CD-NH2 3.26Å; E33-R36 IonicContact OE1-CZ 3.16Å; E33-R36 IonicContact OE1-NE 2.99Å; E33-R36 PolarHBondContact OE1-NE 2.87Å; E33-R36 IonicContact OE1-NH1 3.03Å; E33-R36 IonicContact OE1-NH2 2.71Å; E33-R36 PolarHBondContact OE1-NH2 2.79Å; E33-R36 IonicContact OE2-CZ 3.21Å; E33-R36 IonicContact OE2-NE 3.73Å; E33-R36 PolarHBondContact OE2-NE 3.28Å; E33-R36 IonicContact OE2-NH2 3.05Å; E33-R36 PolarHBondContact OE2-NH2 2.86Å; E33-G37 PolarHBondContact O-N 2.93Å
34F70.8Confident60.7Low81 Ų8184.6 Ų84.636%0.35544%0.442SS..Hα-helixtrans-65-51.6174.2178.5-95.8000112.1S32 R36 G37 F38 L125S32-F34 PolarHBondContact O-N 3.22Å; F34-R36 VanDerWaalsContact C-N 3.29Å; F34-R36 PolarHBondContact O-N 2.71Å; F34-G37 PolarHBondContact O-N 2.88Å; F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 2.82Å; F34-L125 HydrophobicContact CE1-CD1 3.98Å
35V67.9Low62.8Low20 Ų2083.2 Ų83.212%0.12143%0.43CS..Hα-helixtrans-62.2-42.6178.5175.80000109.9S32 G37 F38 V39S32-V35 PolarHBondContact O-N 2.98Å; S32-V35 VanDerWaalsContact O-N 3.14Å; S32-V35 PolarHBondContact OG-N 3Å; V35-G37 PolarHBondContact O-N 3.29Å; V35-F38 PolarHBondContact O-N 3.01Å; V35-V39 HydrophobicContact CG1-CG2 4.34Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.99Å
36R68Low64.4Low68 Ų6887.5 Ų87.526%0.25744%0.435SS..Hα-helixtrans-58.9-47.6176-165.4175.478.5152.81.3111.3V31 S32 E33 F34 R40V31-R36 HydrophobicContact CG1-CB 4.15Å; V31-R36 HydrophobicContact CG1-CG 4.46Å; S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.21Å; E33-R36 VanDerWaalsContact CD-NH2 3.26Å; E33-R36 IonicContact OE1-CZ 3.16Å; E33-R36 IonicContact OE1-NE 2.99Å; E33-R36 PolarHBondContact OE1-NE 2.87Å; E33-R36 IonicContact OE1-NH1 3.03Å; E33-R36 IonicContact OE1-NH2 2.71Å; E33-R36 PolarHBondContact OE1-NH2 2.79Å; E33-R36 IonicContact OE2-CZ 3.21Å; E33-R36 IonicContact OE2-NE 3.73Å; E33-R36 PolarHBondContact OE2-NE 3.28Å; E33-R36 IonicContact OE2-NH2 3.05Å; E33-R36 PolarHBondContact OE2-NH2 2.86Å; F34-R36 VanDerWaalsContact C-N 3.29Å; F34-R36 PolarHBondContact O-N 2.71Å; R36-R40 VanDerWaalsContact O-CB 3.32Å; R36-R40 WeakPolarHBondContact O-CB 3.35Å; R36-R40 WeakPolarHBondContact O-CG 3.45Å; R36-R40 PolarHBondContact O-N 3.03Å
37G73.9Confident65.8Low24 Ų2484.7 Ų84.725%0.24742%0.423CS..Hα-helixtrans-67.2-36.817800000113.2E33 F34 V35 R41E33-G37 PolarHBondContact O-N 2.93Å; F34-G37 PolarHBondContact O-N 2.88Å; V35-G37 PolarHBondContact O-N 3.29Å; G37-R41 WeakPolarHBondContact O-CB 3.31Å; G37-R41 VanDerWaalsContact O-CG 3.31Å; G37-R41 WeakPolarHBondContact O-CG 3.32Å; G37-R41 PolarHBondContact O-N 2.9Å; G37-R41 VanDerWaalsContact O-N 3.13Å; G37-R41 PolarHBondContact O-NE 3.32Å
38F75.4Confident67.4Low38 Ų3885.5 Ų85.517%0.16741%0.409CS..Hα-helixtrans-64.8-50.1175.3-177.2-90000111F34 V35 R41 H42 L125F34-F38 WeakPolarHBondContact O-CB 3.38Å; F34-F38 PolarHBondContact O-N 2.82Å; V35-F38 PolarHBondContact O-N 3.01Å; F38-R41 PolarHBondContact O-N 3.34Å; F38-H42 AromaticContact CD2-CE1 3.94Å; F38-H42 AromaticContact CD2-ND1 3.82Å; F38-H42 HydrophobicContact CE1-CB 4.44Å; F38-H42 AromaticContact CE2-CE1 3.85Å; F38-H42 AromaticContact CE2-ND1 3.85Å; F38-H42 PolarHBondContact O-N 2.89Å; F38-H42 PolarHBondContact O-ND1 3.05Å; F38-L125 HydrophobicContact CB-CD1 4.1Å; F38-L125 HydrophobicContact CD1-CD1 3.69Å; F38-L125 HydrophobicContact CD1-CD2 4.19Å; F38-L125 HydrophobicContact CD1-CG 4.45Å; F38-L125 HydrophobicContact CD2-CD1 4.32Å; F38-L125 HydrophobicContact CE1-CD1 4.18Å; F38-L125 HydrophobicContact CE1-CD2 3.97Å; F38-L125 HydrophobicContact CE1-CG 4.48Å; F38-L125 HydrophobicContact CG-CD1 3.77Å; F38-L125 HydrophobicContact CZ-CB 4.48Å
39V73Confident68.3Low25 Ų2585.5 Ų85.515%0.15241%0.41CS..Hα-helixtrans-66-40.7-179.5176.40000111.1V35 R41 H42 V43 R48 S51V35-V39 HydrophobicContact CG1-CG2 4.34Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.99Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 3.22Å; V39-H42 PolarHBondContact O-N 3.13Å; V39-V43 HydrophobicContact CB-CG2 4.5Å; V39-V43 HydrophobicContact CG1-CB 3.75Å; V39-V43 HydrophobicContact CG1-CG1 4.39Å; V39-V43 HydrophobicContact CG1-CG2 3.73Å; V39-V43 WeakPolarHBondContact O-CB 3.28Å; V39-V43 PolarHBondContact O-N 2.98Å; V39-R48 HydrophobicContact CG1-CG 4.33Å; V39-S51 VanDerWaalsContact CG1-CB 3.46Å; V39-S51 WeakPolarHBondContact CG1-OG 3.34Å
40R77.9Confident68.9Low115 Ų11586.3 Ų86.343%0.43441%0.408SS..Hα-helixtrans-57.8-39.8174.2-77.6174.9179.7177.2-0.1112.5R36 R48R36-R40 VanDerWaalsContact O-CB 3.32Å; R36-R40 WeakPolarHBondContact O-CB 3.35Å; R36-R40 WeakPolarHBondContact O-CG 3.45Å; R36-R40 PolarHBondContact O-N 3.03Å; R40-R48 PolarHBondContact O-NH2 3.24Å
41R80.6Confident69.3Low183 Ų18384 Ų8469%0.69139%0.394SS*.Hα-helixtrans-75.4-29.9179.9-74.5-174-68.1177.9-0.2114.2G37 F38 V39G37-R41 WeakPolarHBondContact O-CB 3.31Å; G37-R41 VanDerWaalsContact O-CG 3.31Å; G37-R41 WeakPolarHBondContact O-CG 3.32Å; G37-R41 PolarHBondContact O-N 2.9Å; G37-R41 VanDerWaalsContact O-N 3.13Å; G37-R41 PolarHBondContact O-NE 3.32Å; F38-R41 PolarHBondContact O-N 3.34Å; V39-R41 VanDerWaalsContact C-N 3.28Å; V39-R41 PolarHBondContact O-N 3.22Å
42H78.4Confident69.2Low103 Ų10385.3 Ų85.348%0.47740%0.4SS..Hα-helixtrans-117.3-8.9-167.5-61.885.4000115.1F38 V39F38-H42 AromaticContact CD2-CE1 3.94Å; F38-H42 AromaticContact CD2-ND1 3.82Å; F38-H42 HydrophobicContact CE1-CB 4.44Å; F38-H42 AromaticContact CE2-CE1 3.85Å; F38-H42 AromaticContact CE2-ND1 3.85Å; F38-H42 PolarHBondContact O-N 2.89Å; F38-H42 PolarHBondContact O-ND1 3.05Å; V39-H42 PolarHBondContact O-N 3.13Å
43V75.1Confident68.7Low46 Ų4686.3 Ų86.328%0.27940%0.403SS..SBendtrans-120.8132.9-177.4-177.20000110.5V39 E45 Q47 R48V39-V43 HydrophobicContact CB-CG2 4.5Å; V39-V43 HydrophobicContact CG1-CB 3.75Å; V39-V43 HydrophobicContact CG1-CG1 4.39Å; V39-V43 HydrophobicContact CG1-CG2 3.73Å; V39-V43 WeakPolarHBondContact O-CB 3.28Å; V39-V43 PolarHBondContact O-N 2.98Å; V43-E45 PolarHBondContact O-N 2.76Å; V43-Q47 HydrophobicContact CG1-CB 3.68Å; V43-R48 HydrophobicContact CB-CG 4.49Å; V43-R48 HydrophobicContact CG1-CG 4.44Å; V43-R48 PolarHBondContact O-NE 3.4Å
44I75.8Confident67.7Low118 Ų11889.6 Ų89.661%0.60541%0.412SS*.  trans-55136.2176.2-60.3168.8000109.2K46 Q47 R48I44-K46 PolarHBondContact O-N 2.97Å; I44-K46 VanDerWaalsContact O-N 3.09Å; I44-Q47 PolarHBondContact O-N 3.07Å; I44-R48 PolarHBondContact O-N 3.47Å
45E75.4Confident66.5Low140 Ų14087.8 Ų87.865%0.65440%0.403SS*.G310 helixtrans-49.9-41.3-173.3-173.1159.5-140.800114.4V43 Q47 R48V43-E45 PolarHBondContact O-N 2.76Å; E45-Q47 PolarHBondContact O-N 3.22Å; E45-R48 WeakPolarHBondContact O-CB 3.46Å; E45-R48 PolarHBondContact O-N 3.23Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-R48 IonicContact OE1-NH1 3.47Å
46K71.4Confident65.2Low192 Ų19298.1 Ų98.184%0.83544%0.44SS*.G310 helixtrans-60.7-18.4177.8-62.1-177.5-179.9178.40114.4I44I44-K46 PolarHBondContact O-N 2.97Å; I44-K46 VanDerWaalsContact O-N 3.09Å
47Q66.9Low63.9Low128 Ų12898.3 Ų98.360%0.59845%0.45SS*.G310 helixtrans-107.2-2-179-64-179.6-4.600112.9V43 I44 E45 N49V43-Q47 HydrophobicContact CG1-CB 3.68Å; I44-Q47 PolarHBondContact O-N 3.07Å; E45-Q47 PolarHBondContact O-N 3.22Å; Q47-N49 VanDerWaalsContact C-N 3.25Å; Q47-N49 PolarHBondContact O-N 3.45Å
48R68.1Low62.4Low71 Ų71100.9 Ų100.927%0.26848%0.476SS..G310 helixtrans-72-12.7-176.8-66.7-178.8-173.6159.2-4.5114.3V39 R40 V43 I44 E45 Q50 S51V39-R48 HydrophobicContact CG1-CG 4.33Å; R40-R48 PolarHBondContact O-NH2 3.24Å; V43-R48 HydrophobicContact CB-CG 4.49Å; V43-R48 HydrophobicContact CG1-CG 4.44Å; V43-R48 PolarHBondContact O-NE 3.4Å; I44-R48 PolarHBondContact O-N 3.47Å; E45-R48 WeakPolarHBondContact O-CB 3.46Å; E45-R48 PolarHBondContact O-N 3.23Å; E45-R48 VanDerWaalsContact O-N 3.08Å; E45-R48 IonicContact OE1-NH1 3.47Å; R48-Q50 PolarHBondContact O-N 3Å; R48-S51 PolarHBondContact O-N 3.41Å; R48-S51 PolarHBondContact O-OG 2.86Å
49N58.6Low60.8Low125 Ų125102.4 Ų102.467%0.66849%0.491SS*.G310 helixtrans-58.9-14-179.3-60.11.4000113.5Q47Q47-N49 VanDerWaalsContact C-N 3.25Å; Q47-N49 PolarHBondContact O-N 3.45Å
50Q55.9Low59.4Low107 Ų107109.6 Ų109.650%0.553%0.529SS..G310 helixtrans-86.1-14.7175.2-63.9-178.4-13.100114R48 P69R48-Q50 PolarHBondContact O-N 3Å; Q50-P69 VanDerWaalsContact CD-CB 3.46Å; Q50-P69 HydrophobicContact CG-CB 4.31Å; Q50-P69 VanDerWaalsContact OE1-CB 3.26Å
51S52.5Low57.9Low11 Ų11108.2 Ų108.28%0.07753%0.534CS..THydrogen-bonded Turntrans-87.2-17.4179.4530000115.1V39 R48 L53V39-S51 VanDerWaalsContact CG1-CB 3.46Å; V39-S51 WeakPolarHBondContact CG1-OG 3.34Å; R48-S51 PolarHBondContact O-N 3.41Å; R48-S51 PolarHBondContact O-OG 2.86Å; S51-L53 PolarHBondContact O-N 2.98Å
52D52.6Low56.2Low67 Ų67100.6 Ų100.636%0.35851%0.508SS..  trans-79.471.7177.5-66.1-18.4000109Y54D52-Y54 HydrophobicContact CB-CE2 4.19Å; D52-Y54 VanDerWaalsContact O-CD2 3.28Å; D52-Y54 WeakPolarHBondContact O-CD2 3.36Å; D52-Y54 WeakPolarHBondContact O-CE2 3.39Å; D52-Y54 PolarHBondContact O-N 3.47Å
53L54.8Low54.7Low40 Ų40101.8 Ų101.821%0.20951%0.513CS..  trans-74.9104.5170.9-70.4171.5000108S51 W55 I65S51-L53 PolarHBondContact O-N 2.98Å; L53-W55 PolarHBondContact O-NE1 3.17Å; L53-I65 HydrophobicContact CD1-CG2 4.25Å
54Y47.9Very low53.4Low179 Ų179101.9 Ų101.970%0.70251%0.513SS*.  trans-77124.5174.8-58.6-81.8000110.5D52D52-Y54 HydrophobicContact CB-CE2 4.19Å; D52-Y54 VanDerWaalsContact O-CD2 3.28Å; D52-Y54 WeakPolarHBondContact O-CD2 3.36Å; D52-Y54 WeakPolarHBondContact O-CE2 3.39Å; D52-Y54 PolarHBondContact O-N 3.47Å
55W46.4Very low52.4Low43 Ų4397.3 Ų97.316%0.16349%0.489CS..  trans-89.1131.1175.7-61.969.7000108.8V30 L53 I65 I136V30-W55 HydrophobicContact CB-CB 4.48Å; V30-W55 HydrophobicContact CB-CG 4.38Å; V30-W55 VanDerWaalsContact O-CD2 3.27Å; V30-W55 PolarHBondContact O-NE1 2.95Å; L53-W55 PolarHBondContact O-NE1 3.17Å; W55-I65 HydrophobicContact CE3-CG1 4.24Å; W55-I65 HydrophobicContact CH2-CD1 2.98Å; W55-I65 HydrophobicContact CH2-CG1 3.21Å; W55-I65 HydrophobicContact CZ2-CD1 3.74Å; W55-I65 HydrophobicContact CZ2-CG1 3.63Å; W55-I65 HydrophobicContact CZ2-CG2 4.35Å; W55-I65 HydrophobicContact CZ3-CD1 3.49Å; W55-I65 VanDerWaalsContact CZ3-CD1 3.49Å; W55-I65 HydrophobicContact CZ3-CG1 3.47Å; W55-I65 VanDerWaalsContact CZ3-CG1 3.47Å; W55-I136 HydrophobicContact CH2-CD1 4.02Å; W55-I136 HydrophobicContact CZ3-CD1 4.45Å
56R41.7Very low51.2Low237 Ų23791 Ų9189%0.89446%0.46SS*.  trans-107.6102.7167.3-72.6-170.4178.9-167-0.9108.9
57P40.2Very low50.5Low73 Ų7384.3 Ų84.347%0.47443%0.433SS..THydrogen-bonded Turntrans-70137.8166.9-3.419.6000108.8I28I28-P57 WeakPolarHBondContact O-CD 2.79Å; I28-P57 WeakPolarHBondContact O-CG 3.26Å
58G42Very low49.7Very low77 Ų7781.8 Ų81.879%0.79442%0.423SS*.THydrogen-bonded Turntrans118.50.3175.400000115.7
59S41.5Very low48.7Very low70 Ų7082.2 Ų82.249%0.4944%0.435SS..  trans-91.3115.9162.7176.20000108.2V61S59-V61 PolarHBondContact O-N 3.43Å; S59-V61 VanDerWaalsContact OG-CB 3.23Å; S59-V61 WeakPolarHBondContact OG-CB 3.37Å; S59-V61 PolarHBondContact OG-N 3.25Å; S59-V61 PolarHBondContact OG-O 2.8Å
60N43.2Very low48.2Very low176 Ų17682.1 Ų82.194%0.94143%0.431SS*.SBendtrans-6417.7167.4-67.8-14.7000112.8
61V46Very low47.8Very low87 Ų8781.7 Ų81.753%0.52744%0.44SS..SBendtrans-115.1113.5176.8-169.40000106.3S59S59-V61 PolarHBondContact O-N 3.43Å; S59-V61 VanDerWaalsContact OG-CB 3.23Å; S59-V61 WeakPolarHBondContact OG-CB 3.37Å; S59-V61 PolarHBondContact OG-N 3.25Å; S59-V61 PolarHBondContact OG-O 2.8Å
62S45.8Very low47.5Very low22 Ų2285.8 Ų85.815%0.15446%0.464CS..  trans-13.7133.2178.29.80000118.3N64 R160 A254S62-N64 PolarHBondContact O-N 2.91Å; S62-R160 PolarHBondContact OG-NH1 2.94Å; S62-A254 WeakPolarHBondContact CB-O 3.39Å; S62-A254 PolarHBondContact OG-O 3.34Å
63H46Very low47.2Very low128 Ų12889.1 Ų89.159%0.59348%0.475SS*.  trans-46.498.4165.3-48.6-51.4000112I65H63-I65 PolarHBondContact O-N 3.32Å
64N49.8Very low46.6Very low49 Ų4994.4 Ų94.426%0.26250%0.502SS..  trans-103.470.3-172.7-125.1-58.5000110.7S62 N66 A254 I255S62-N64 PolarHBondContact O-N 2.91Å; N64-N66 VanDerWaalsContact C-N 3.3Å; N64-N66 PolarHBondContact O-N 3.14Å; N64-N66 PolarHBondContact OD1-ND2 3.21Å; N64-A254 VanDerWaalsContact ND2-CB 3.31Å; N64-A254 WeakPolarHBondContact ND2-CB 3.04Å; N64-A254 PolarHBondContact ND2-O 3.22Å; N64-A254 WeakPolarHBondContact OD1-CB 3.33Å; N64-I255 WeakPolarHBondContact ND2-CG2 3.42Å; N64-I255 PolarHBondContact ND2-N 3.4Å
65I53.2Low46.4Very low21 Ų2197.4 Ų97.411%0.10851%0.512CS..  trans-83.683.5176.8-46.6148.3000106.9L53 W55 H63 L67 Y129 V133L53-I65 HydrophobicContact CD1-CG2 4.25Å; W55-I65 HydrophobicContact CE3-CG1 4.24Å; W55-I65 HydrophobicContact CH2-CD1 2.98Å; W55-I65 HydrophobicContact CH2-CG1 3.21Å; W55-I65 HydrophobicContact CZ2-CD1 3.74Å; W55-I65 HydrophobicContact CZ2-CG1 3.63Å; W55-I65 HydrophobicContact CZ2-CG2 4.35Å; W55-I65 HydrophobicContact CZ3-CD1 3.49Å; W55-I65 VanDerWaalsContact CZ3-CD1 3.49Å; W55-I65 HydrophobicContact CZ3-CG1 3.47Å; W55-I65 VanDerWaalsContact CZ3-CG1 3.47Å; H63-I65 PolarHBondContact O-N 3.32Å; I65-L67 PolarHBondContact O-N 3.16Å; I65-Y129 HydrophobicContact CB-CE2 3.72Å; I65-Y129 HydrophobicContact CD1-CE2 3.85Å; I65-Y129 HydrophobicContact CG1-CE2 4.46Å; I65-Y129 HydrophobicContact CG2-CD2 4.15Å; I65-Y129 HydrophobicContact CG2-CE2 3.56Å; I65-Y129 PolarHBondContact O-OH 2.78Å; I65-V133 HydrophobicContact CD1-CG2 3.43Å; I65-V133 VanDerWaalsContact CD1-CG2 3.43Å
66N51.9Low46.2Very low8 Ų8104.5 Ų104.54%0.04354%0.544CS..  trans-82.8117.5171-66.5-77000107.6N64 L68 I251N64-N66 VanDerWaalsContact C-N 3.3Å; N64-N66 PolarHBondContact O-N 3.14Å; N64-N66 PolarHBondContact OD1-ND2 3.21Å; N66-L68 HydrophobicContact CB-CB 4.4Å; N66-L68 PolarHBondContact O-N 3.44Å; N66-L68 VanDerWaalsContact O-N 3.09Å; N66-I251 HydrophobicContact CB-CD1 4.23Å; N66-I251 WeakPolarHBondContact ND2-CG1 3.3Å
67L54.7Low46.5Very low51 Ų5198.4 Ų98.427%0.26754%0.538SS..  trans-65.1-0.3165.9-61.5172000112.7I65 Y129I65-L67 PolarHBondContact O-N 3.16Å; L67-Y129 HydrophobicContact CD1-CD1 4.37Å; L67-Y129 HydrophobicContact CD1-CG 4.31Å; L67-Y129 HydrophobicContact CD2-CD2 4.39Å
68L51.2Low46.8Very low76 Ų76104.9 Ų104.940%0.39856%0.559SS.*SBendtrans-77.8135176.7-66.8171.5000109.6N66 Q70 I164N66-L68 HydrophobicContact CB-CB 4.4Å; N66-L68 PolarHBondContact O-N 3.44Å; N66-L68 VanDerWaalsContact O-N 3.09Å; L68-Q70 PolarHBondContact O-N 3.4Å; L68-I164 HydrophobicContact CD2-CD1 4.07Å
69P47.1Very low47Very low79 Ų79112.6 Ų112.651%0.51356%0.564SS.*  trans-59.6113.5175.924.9-33.3000109.4Q50 S71Q50-P69 VanDerWaalsContact CD-CB 3.46Å; Q50-P69 HydrophobicContact CG-CB 4.31Å; Q50-P69 VanDerWaalsContact OE1-CB 3.26Å; P69-S71 PolarHBondContact O-N 3.32Å
70Q47.7Very low47Very low124 Ų124118.6 Ų118.658%0.57958%0.581SS**  trans-66.9132.7170.8-65.4-165.3500108.3L68 T72L68-Q70 PolarHBondContact O-N 3.4Å; Q70-T72 PolarHBondContact O-N 2.97Å
71S47.4Very low47.1Very low98 Ų98121.7 Ų121.769%0.68558%0.58SS**  trans-60.5110.5177.5176.80000110.1P69 K73P69-S71 PolarHBondContact O-N 3.32Å; S71-K73 PolarHBondContact O-N 2.88Å
72T46.3Very low47.1Very low97 Ų97125.4 Ų125.460%0.59560%0.596SS**  trans-76.626178.7510000113.7Q70 I74Q70-T72 PolarHBondContact O-N 2.97Å; T72-I74 VanDerWaalsContact C-N 3.3Å; T72-I74 PolarHBondContact O-N 3.37Å
73K46Very low47Very low136 Ų136129.1 Ų129.159%0.59162%0.622SS**  trans-7291.8173.6-73.3-168.4178.4-172.90109S71 R75S71-K73 PolarHBondContact O-N 2.88Å; K73-R75 PolarHBondContact O-N 2.75Å
74I42.9Very low47.1Very low151 Ų151127.7 Ų127.777%0.77463%0.626SS**  trans-48.9102.9166.3-61.3169.5000107T72 K76T72-I74 VanDerWaalsContact C-N 3.3Å; T72-I74 PolarHBondContact O-N 3.37Å; I74-K76 VanDerWaalsContact C-N 3.26Å; I74-K76 HydrophobicContact CG2-CG 4.42Å; I74-K76 PolarHBondContact O-N 2.75Å
75R44.1Very low47Very low242 Ų242131 Ų13191%0.91365%0.648SS**  trans-71.390171.3-121.9-177.2164.7-168.3-4.1105.7K73 S77K73-R75 PolarHBondContact O-N 2.75Å; R75-S77 PolarHBondContact O-N 3.09Å
76K42.1Very low46.7Very low192 Ų192137.1 Ų137.184%0.83568%0.681SS**  trans-57.2109.8165.3-71.6-172.6177.3-177.40106.7I74 K78I74-K76 VanDerWaalsContact C-N 3.26Å; I74-K76 HydrophobicContact CG2-CG 4.42Å; I74-K76 PolarHBondContact O-N 2.75Å; K76-K78 PolarHBondContact O-N 3.48Å
77S47.7Very low46.4Very low109 Ų109144.5 Ų144.576%0.76272%0.721SS**  trans-60.7120.2172.751.60000107.6R75 R79R75-S77 PolarHBondContact O-N 3.09Å; S77-R79 PolarHBondContact O-N 3.36Å
78K46.3Very low46.4Very low209 Ų209149.2 Ų149.291%0.90975%0.745SS**  trans-65.7106.2167.6-85.1-173.4172.7-173.20107.1K76 K80K76-K78 PolarHBondContact O-N 3.48Å; K78-K80 PolarHBondContact O-N 3.16Å
79R45.9Very low46.3Very low240 Ų240151.4 Ų151.491%0.90676%0.764SS**  trans-55.4127.4163.7-107.6175.1164168.3-5.9108.5S77 R81S77-R79 PolarHBondContact O-N 3.36Å; R79-R81 PolarHBondContact O-N 2.97Å
80K42Very low46.4Very low195 Ų195155 Ų15585%0.84878%0.778SS**  trans-51.1128.4164.9-85.9176.9170.1179.10109.1K78K78-K80 PolarHBondContact O-N 3.16Å
81R44.3Very low46.5Very low242 Ų242158.3 Ų158.391%0.91379%0.79SS**  trans-110.5120.8151-79.3-170.8173.2-179.6-2.3106.6R79R79-R81 PolarHBondContact O-N 2.97Å
82L46.2Very low46.8Very low164 Ų164159.8 Ų159.886%0.85980%0.795SS**  trans-85.8128.4167.2-75.4150.7000107.2
83S45.1Very low46.9Very low100 Ų100164.4 Ų164.470%0.69981%0.806SS**  trans-172.7101.6157-1.80000103.8
84S47.9Very low47.2Very low98 Ų98168.7 Ų168.769%0.68582%0.819SS**  85.1119.589.973.50000110.8
85T46.5Very low47.5Very low119 Ų119167 Ų16773%0.7382%0.818SS**  trans72.9133.8149.259.70000119.4
86D47.6Very low47.7Very low149 Ų149162.9 Ų162.980%0.79781%0.809SS**  trans103.9111.2155-52.5-23000118.1L88D86-L88 PolarHBondContact O-N 3.36Å
87D46.2Very low48.2Very low163 Ų163159.4 Ų159.487%0.87281%0.809SS**  trans-62.7107.9-176.8-66.8-53.7000112.4
88L54Low48.4Very low150 Ų150163.5 Ų163.579%0.78581%0.813SS**  trans-143.5137.8157.1-82.5167.8000108.8D86 I90D86-L88 PolarHBondContact O-N 3.36Å; L88-I90 PolarHBondContact O-N 3.29Å
89P48.9Very low48.4Very low122 Ų122161.1 Ų161.179%0.79280%0.802SS**  trans-62.8110.3-178.325.1-31.9000109.6K91P89-K91 PolarHBondContact O-N 2.97Å
90I50.1Low48.7Very low156 Ų156157.7 Ų157.780%0.879%0.794SS**  trans-64.699.3178.5-62.8172.4000107.9L88 V92L88-I90 PolarHBondContact O-N 3.29Å; I90-V92 PolarHBondContact O-N 2.98Å
91K48.6Very low48.8Very low192 Ų192154 Ų15484%0.83579%0.792SS**  trans-51.3110.5162-87179.1176.41730107.8P89 K93P89-K91 PolarHBondContact O-N 2.97Å; K91-K93 VanDerWaalsContact C-N 3.26Å; K91-K93 PolarHBondContact O-N 3.41Å
92V53.7Low48.9Very low130 Ų130150 Ų15079%0.78878%0.782SS**  trans-6288.4174.6-176.90000108.4I90 R94I90-V92 PolarHBondContact O-N 2.98Å; V92-R94 PolarHBondContact O-N 3.41Å
93K48.3Very low48.7Very low193 Ų193145.6 Ų145.684%0.83977%0.765SS**  trans-66.399.7167.9-75.7-176.3178.11770107K91K91-K93 VanDerWaalsContact C-N 3.26Å; K91-K93 PolarHBondContact O-N 3.41Å
94R51.9Low48.6Very low226 Ų226151 Ų15185%0.85378%0.776SS**  trans-42.2122.9169.1-72.8177.3175158.3-2.2108.4V92 H96V92-R94 PolarHBondContact O-N 3.41Å; R94-H96 PolarHBondContact O-N 3.37Å
95P49.4Very low48.5Very low116 Ų116149.9 Ų149.975%0.75377%0.768SS**  trans-62.3129.2-17925.1-31.5000108.2S97P95-S97 VanDerWaalsContact C-N 3.31Å; P95-S97 PolarHBondContact O-N 3.33Å
96H48.8Very low48.4Very low156 Ų156151.5 Ų151.572%0.72277%0.771SS**  trans-51.189.9172.9-72-81.7000111.1R94 K98R94-H96 PolarHBondContact O-N 3.37Å; H96-K98 PolarHBondContact O-N 3.27Å
97S53.3Low48.4Very low119 Ų119149.7 Ų149.783%0.83276%0.76SS**  trans-77.1-7.8167.559.80000112P95 K99P95-S97 VanDerWaalsContact C-N 3.31Å; P95-S97 PolarHBondContact O-N 3.33Å; S97-K99 PolarHBondContact O-N 3.39Å
98K50.9Low48.6Very low195 Ų195149.1 Ų149.185%0.84876%0.756SS**  trans-88.447.6178.3-60.7-172179.6-177.80113.6H96H96-K98 PolarHBondContact O-N 3.27Å
99K47.7Very low48.7Very low159 Ų159149.7 Ų149.769%0.69176%0.755SS**  trans-147.951.3176-72.9-164.9178.21790114.6S97S97-K99 PolarHBondContact O-N 3.39Å
100K50.2Low49.5Very low167 Ų167150.6 Ų150.673%0.72675%0.746SS**  trans-149.750.1152-68.3-166.6-174.3170.50111.4F102K100-F102 PolarHBondContact O-N 2.97Å; K100-F102 VanDerWaalsContact O-N 3.17Å
101S45.9Very low50.4Low117 Ų117145.7 Ų145.782%0.81873%0.725SS**  trans-78.853.4142.9170.40000107.2S103S101-S103 PolarHBondContact O-N 3.49Å; S101-S103 VanDerWaalsContact O-N 3.16Å
102F46.6Very low51.8Low158 Ų158141.3 Ų141.369%0.69372%0.718SS**  trans-72.6109.6166-107.9-96.7000103.2K100K100-F102 PolarHBondContact O-N 2.97Å; K100-F102 VanDerWaalsContact O-N 3.17Å
103S40.6Very low53.2Low72 Ų72137.1 Ų137.150%0.50370%0.697SS.*  trans64.881.6159.764.10000116.5S101 S105S101-S103 PolarHBondContact O-N 3.49Å; S101-S103 VanDerWaalsContact O-N 3.16Å; S103-S105 CarbonylContact C-O 3.48Å; S103-S105 WeakPolarHBondContact CA-OG 3.45Å; S103-S105 VanDerWaalsContact CB-O 3.26Å; S103-S105 WeakPolarHBondContact CB-O 2.93Å; S103-S105 WeakPolarHBondContact CB-OG 3.47Å; S103-S105 PolarHBondContact O-N 2.96Å
104K44.6Very low54.9Low215 Ų215129 Ų12994%0.93566%0.663SS**SBend-62.9-1.7128.4-95.1-175.1177.7-178.60111.4
105S44.5Very low56.6Low73 Ų73121.5 Ų121.551%0.5164%0.643SS.*THydrogen-bonded Turntrans-67.1142.6159.576.90000109.1S103S103-S105 CarbonylContact C-O 3.48Å; S103-S105 WeakPolarHBondContact CA-OG 3.45Å; S103-S105 VanDerWaalsContact CB-O 3.26Å; S103-S105 WeakPolarHBondContact CB-O 2.93Å; S103-S105 WeakPolarHBondContact CB-OG 3.47Å; S103-S105 PolarHBondContact O-N 2.96Å
106I45.1Very low58.4Low154 Ų154117.1 Ų117.179%0.7962%0.615SS**THydrogen-bonded Turncis-145.563.127.4-55.9164.5000106
107I47.5Very low60.4Low111 Ų111114 Ų11457%0.56960%0.604SS**  trans-14288.6166.2-56.8-176.8000106.5H109I107-H109 WeakPolarHBondContact CG2-O 3.43Å; I107-H109 PolarHBondContact O-N 3.23Å
108N50.2Low62.1Low150 Ų150113.3 Ų113.380%0.80259%0.59SS**SBendtrans-66.5-19179.3-67.8-9.5000112.3
109H55.9Low64Low162 Ų162104.1 Ų104.175%0.7555%0.55SS**SBendtrans-132.8111.4174.5-62.4-76000109.1I107 P111I107-H109 WeakPolarHBondContact CG2-O 3.43Å; I107-H109 PolarHBondContact O-N 3.23Å; H109-P111 WeakPolarHBondContact O-CD 3.46Å
110K66.1Low66Low142 Ų14299.7 Ų99.762%0.61753%0.534SS*.  trans-46.9115.2173.1-179.2-176.5-179.4-174.90107.4S112 T208K110-S112 PolarHBondContact O-N 3.06Å; K110-T208 PolarHBondContact NZ-OG1 3.29Å
111P68.4Low68Low53 Ų5396 Ų9634%0.34452%0.518SS..  trans-58.8118.2-178.423-33.7000107.2H109 A113 L206H109-P111 WeakPolarHBondContact O-CD 3.46Å; P111-A113 VanDerWaalsContact C-N 3.28Å; P111-L206 HydrophobicContact CG-CD1 4.39Å; P111-L206 WeakPolarHBondContact O-CD1 3.22Å
112S78.3Confident70.2Confident99 Ų9992.7 Ų92.769%0.69249%0.491SS*.SBendtrans-74.9-28.3177.8-170.20000110.7K110 L206K110-S112 PolarHBondContact O-N 3.06Å; S112-L206 PolarHBondContact O-N 3.45Å
113A82.2Confident72.4Confident42 Ų4286.5 Ų86.535%0.34746%0.464SS..EExtended strand (participates in β ladder)trans-132.8149.8-178.800000111.9P111 L203 M204P111-A113 VanDerWaalsContact C-N 3.28Å; A113-L203 HydrophobicContact CB-CB 4.25Å; A113-L203 HydrophobicContact CB-CD2 4.44Å; A113-M204 CarbonylContact C-O 3.53Å; A113-M204 VanDerWaalsContact CA-O 3.22Å; A113-M204 WeakPolarHBondContact CA-O 3.36Å
114I85.3Confident74.9Confident23 Ų2390.2 Ų90.212%0.11847%0.468CS..EExtended strand (participates in β ladder)trans-129140.8176-69.8-176.9000108.3S116 L118 I185 M204 L206I114-S116 PolarHBondContact O-N 2.98Å; I114-L118 HydrophobicContact CG2-CB 4.33Å; I114-L118 HydrophobicContact CG2-CD2 4.13Å; I114-I185 HydrophobicContact CB-CD1 4.39Å; I114-I185 HydrophobicContact CD1-CD1 3.54Å; I114-I185 HydrophobicContact CD1-CG2 4.09Å; I114-I185 HydrophobicContact CG1-CD1 4.48Å; I114-I185 HydrophobicContact CG2-CD1 4.23Å; I114-M204 PolarHBondContact N-O 2.99Å; I114-M204 PolarHBondContact O-N 3.2Å; I114-L206 HydrophobicContact CB-CD2 4.26Å; I114-L206 HydrophobicContact CD1-CD1 3.54Å; I114-L206 HydrophobicContact CD1-CD2 3.8Å; I114-L206 HydrophobicContact CD1-CG 4.17Å; I114-L206 HydrophobicContact CG1-CD1 3.85Å; I114-L206 HydrophobicContact CG1-CD2 3.97Å; I114-L206 HydrophobicContact CG1-CG 4.17Å
115P87.2Confident77.1Confident69 Ų6981.1 Ų81.145%0.44843%0.429SS..EExtended strand (participates in β ladder)trans-58.8131.8174.824-34.6000111.3N117 L118P115-N117 PolarHBondContact O-N 2.8Å; P115-L118 HydrophobicContact CG-CB 4.14Å; P115-L118 PolarHBondContact O-N 2.84Å
116S87.4Confident79.4Confident23 Ų2377.7 Ų77.716%0.16141%0.405CS..Hα-helixtrans-55.8-37.7-176.760.90000112.8I114 L118 S119 I120 Q202I114-S116 PolarHBondContact O-N 2.98Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 2.82Å; S116-S119 PolarHBondContact O-N 3.37Å; S116-I120 WeakPolarHBondContact O-CD1 3.29Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.43Å; S116-I120 PolarHBondContact O-N 3.27Å; S116-Q202 WeakPolarHBondContact CB-O 2.95Å; S116-Q202 PolarHBondContact N-O 3.37Å; S116-Q202 PolarHBondContact OG-O 3.15Å
117N89.7Confident81.5Confident90 Ų9071.2 Ų71.248%0.48137%0.372SS..Hα-helixtrans-55.5-41.6178-171.6-9000112.3P115 K121P115-N117 PolarHBondContact O-N 2.8Å; N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 WeakPolarHBondContact O-CG 3.26Å; N117-K121 PolarHBondContact O-N 2.81Å; N117-K121 WeakPolarHBondContact OD1-CD 3.42Å; N117-K121 WeakPolarHBondContact OD1-CE 3.23Å; N117-K121 PolarHBondContact OD1-NZ 3.16Å
118L89.9Confident83.4Confident106 Ų10666.1 Ų66.156%0.55535%0.347SS*.Hα-helixtrans-67.5-45.1-179.4-176.963.5000111.3I114 P115 S116 I120 K121 L122I114-L118 HydrophobicContact CG2-CB 4.33Å; I114-L118 HydrophobicContact CG2-CD2 4.13Å; P115-L118 HydrophobicContact CG-CB 4.14Å; P115-L118 PolarHBondContact O-N 2.84Å; S116-L118 VanDerWaalsContact C-N 3.28Å; S116-L118 PolarHBondContact O-N 2.82Å; L118-I120 VanDerWaalsContact C-N 3.35Å; L118-I120 PolarHBondContact O-N 2.98Å; L118-K121 PolarHBondContact O-N 3.07Å; L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 PolarHBondContact O-N 3Å
119S89.9Confident85.3Confident1 Ų159.4 Ų59.41%0.00731%0.311CS..Hα-helixtrans-62.2-42.8178.1-52.10000111.6S116 L122 H123 M204S116-S119 PolarHBondContact O-N 3.37Å; S119-L122 WeakPolarHBondContact O-CB 2.9Å; S119-L122 PolarHBondContact O-N 3.34Å; S119-H123 PolarHBondContact O-N 2.94Å; S119-M204 WeakPolarHBondContact CB-SD 3.22Å; S119-M204 PolarHBondContact OG-SD 3.41Å
120I90.6Very high86.7Confident67 Ų6751.8 Ų51.834%0.34428%0.276SS..Hα-helixtrans-65.4-44.2178.4-67.6164.8000110.9S116 L118 L122 H123 Y124 M204S116-I120 WeakPolarHBondContact O-CD1 3.29Å; S116-I120 VanDerWaalsContact O-CG1 3.26Å; S116-I120 WeakPolarHBondContact O-CG1 3.43Å; S116-I120 PolarHBondContact O-N 3.27Å; L118-I120 VanDerWaalsContact C-N 3.35Å; L118-I120 PolarHBondContact O-N 2.98Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.42Å; I120-H123 WeakPolarHBondContact O-CB 3.21Å; I120-H123 PolarHBondContact O-N 3.17Å; I120-H123 VanDerWaalsContact O-N 3.13Å; I120-Y124 HydrophobicContact CG2-CD2 3.81Å; I120-Y124 HydrophobicContact CG2-CE2 3.34Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.31Å; I120-M204 HydrophobicContact CG1-CE 4.3Å
121K91.8Very high87.5Confident90 Ų9048.7 Ų48.739%0.39126%0.263SS..Hα-helixtrans-60-40.4174.2-78.1173.8174170.20112.2N117 L118 H123 Y124 L125N117-K121 WeakPolarHBondContact O-CB 3.48Å; N117-K121 WeakPolarHBondContact O-CG 3.26Å; N117-K121 PolarHBondContact O-N 2.81Å; N117-K121 WeakPolarHBondContact OD1-CD 3.42Å; N117-K121 WeakPolarHBondContact OD1-CE 3.23Å; N117-K121 PolarHBondContact OD1-NZ 3.16Å; L118-K121 PolarHBondContact O-N 3.07Å; K121-H123 VanDerWaalsContact C-N 3.31Å; K121-Y124 PolarHBondContact O-N 3.44Å; K121-L125 PolarHBondContact O-N 2.79Å
122L92.9Very high88.1Confident47 Ų4747.3 Ų47.325%0.24626%0.255CS..Hα-helixtrans-62.7-40.1175-178.264.6000111.4L118 S119 I120 L125 W126 I164L118-L122 WeakPolarHBondContact O-CB 3.47Å; L118-L122 PolarHBondContact O-N 3Å; S119-L122 WeakPolarHBondContact O-CB 2.9Å; S119-L122 PolarHBondContact O-N 3.34Å; I120-L122 VanDerWaalsContact C-N 3.3Å; I120-L122 PolarHBondContact O-N 3.42Å; L122-L125 WeakPolarHBondContact O-CB 3.16Å; L122-L125 PolarHBondContact O-N 3.11Å; L122-W126 PolarHBondContact O-N 3.36Å; L122-I164 HydrophobicContact CD2-CG2 4.27Å
123H93Very high88.1Confident27 Ų2743.2 Ų43.213%0.12523%0.225CC..Hα-helixtrans-64.4-43.4175.2178.963.9000112.7S119 I120 K121 L125 W126 N127 G165 I183S119-H123 PolarHBondContact O-N 2.94Å; I120-H123 WeakPolarHBondContact O-CB 3.21Å; I120-H123 PolarHBondContact O-N 3.17Å; I120-H123 VanDerWaalsContact O-N 3.13Å; K121-H123 VanDerWaalsContact C-N 3.31Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L125 PolarHBondContact O-N 3.43Å; H123-W126 PolarHBondContact O-N 2.94Å; H123-W126 VanDerWaalsContact O-N 3.17Å; H123-N127 PolarHBondContact CD2-ND2 3.21Å; H123-N127 PolarHBondContact CE1-OD1 3.13Å; H123-N127 PolarHBondContact NE2-ND2 3.46Å; H123-N127 PolarHBondContact O-N 3.1Å; H123-G165 WeakPolarHBondContact CA-O 3.27Å; H123-G165 PolarHBondContact ND1-O 2.88Å; H123-G165 VanDerWaalsContact ND1-O 3.1Å; H123-I183 HydrophobicContact CB-CD1 3.84Å; H123-I183 HydrophobicContact CB-CG1 4.26Å; H123-I183 HydrophobicContact CB-CG2 4.34Å
124Y91.4Very high87.8Confident150 Ų15041.9 Ų41.959%0.58821%0.212SC*.Hα-helixtrans-61.6-39.4173.5-72-53.9000112.9I120 K121 W126 N127 G128I120-Y124 HydrophobicContact CG2-CD2 3.81Å; I120-Y124 HydrophobicContact CG2-CE2 3.34Å; I120-Y124 VanDerWaalsContact O-CD2 3.29Å; I120-Y124 WeakPolarHBondContact O-CD2 3.43Å; I120-Y124 PolarHBondContact O-N 3.31Å; K121-Y124 PolarHBondContact O-N 3.44Å; Y124-W126 VanDerWaalsContact C-N 3.32Å; Y124-N127 PolarHBondContact O-N 3.48Å; Y124-G128 PolarHBondContact O-N 3.38Å; Y124-G128 VanDerWaalsContact O-N 3.13Å
125L92.1Very high86.9Confident24 Ų2443.9 Ų43.913%0.12623%0.228CC..Hα-helixtrans-60.8-44.5173.9177.863.3000111.1F34 F38 K121 L122 H123 G128 Y129F34-L125 HydrophobicContact CE1-CD1 3.98Å; F38-L125 HydrophobicContact CB-CD1 4.1Å; F38-L125 HydrophobicContact CD1-CD1 3.69Å; F38-L125 HydrophobicContact CD1-CD2 4.19Å; F38-L125 HydrophobicContact CD1-CG 4.45Å; F38-L125 HydrophobicContact CD2-CD1 4.32Å; F38-L125 HydrophobicContact CE1-CD1 4.18Å; F38-L125 HydrophobicContact CE1-CD2 3.97Å; F38-L125 HydrophobicContact CE1-CG 4.48Å; F38-L125 HydrophobicContact CG-CD1 3.77Å; F38-L125 HydrophobicContact CZ-CB 4.48Å; K121-L125 PolarHBondContact O-N 2.79Å; L122-L125 WeakPolarHBondContact O-CB 3.16Å; L122-L125 PolarHBondContact O-N 3.11Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-L125 PolarHBondContact O-N 3.43Å; L125-G128 PolarHBondContact O-N 2.83Å; L125-Y129 PolarHBondContact O-N 3.03Å
126W93.2Very high85.7Confident1 Ų143.5 Ų43.50%0.00422%0.222CC..Hα-helixtrans-64.4-40.1178.3-173.885.7000112.2L122 H123 Y124 G128 Y129 F130 N162 L163 A166 L218 L220L122-W126 PolarHBondContact O-N 3.36Å; H123-W126 PolarHBondContact O-N 2.94Å; H123-W126 VanDerWaalsContact O-N 3.17Å; Y124-W126 VanDerWaalsContact C-N 3.32Å; W126-G128 PolarHBondContact O-N 2.88Å; W126-Y129 WeakPolarHBondContact O-CB 3.48Å; W126-Y129 PolarHBondContact O-N 3.44Å; W126-F130 HydrophobicContact CE3-CB 4.44Å; W126-F130 HydrophobicContact CH2-CB 4.25Å; W126-F130 AromaticContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CG 4.2Å; W126-F130 HydrophobicContact CZ2-CB 4.49Å; W126-F130 HydrophobicContact CZ2-CD2 4.22Å; W126-F130 HydrophobicContact CZ3-CB 4.23Å; W126-F130 HydrophobicContact CZ3-CG 4.43Å; W126-F130 WeakPolarHBondContact O-CB 3.18Å; W126-F130 PolarHBondContact O-N 3.1Å; W126-N162 PolarHBondContact NE1-O 3.04Å; W126-L163 HydrophobicContact CZ2-CD2 4.4Å; W126-A166 HydrophobicContact CD2-CB 3.9Å; W126-A166 HydrophobicContact CE3-CB 4.22Å; W126-A166 HydrophobicContact CH2-CB 3.98Å; W126-A166 HydrophobicContact CZ2-CB 3.61Å; W126-A166 HydrophobicContact CZ3-CB 4.26Å; W126-L218 HydrophobicContact CH2-CD1 3.84Å; W126-L218 HydrophobicContact CH2-CD2 4.41Å; W126-L218 HydrophobicContact CZ2-CD1 4.34Å; W126-L220 HydrophobicContact CH2-CD2 3.64Å; W126-L220 HydrophobicContact CZ3-CD2 4.12Å
127N89.3Confident84.3Confident18 Ų1844.6 Ų44.610%0.09623%0.226CC..Hα-helixtrans-59.6-45.9175.1-72.1-17.4000111.5H123 Y124 Y129 F130 Q131 P221H123-N127 PolarHBondContact CD2-ND2 3.21Å; H123-N127 PolarHBondContact CE1-OD1 3.13Å; H123-N127 PolarHBondContact NE2-ND2 3.46Å; H123-N127 PolarHBondContact O-N 3.1Å; Y124-N127 PolarHBondContact O-N 3.48Å; N127-Y129 VanDerWaalsContact C-N 3.35Å; N127-Y129 PolarHBondContact O-N 3.21Å; N127-F130 PolarHBondContact O-N 2.95Å; N127-Q131 WeakPolarHBondContact O-CB 3.49Å; N127-Q131 VanDerWaalsContact O-CG 3.26Å; N127-Q131 WeakPolarHBondContact O-CG 3.4Å; N127-Q131 PolarHBondContact O-N 3.13Å; N127-P221 HydrophobicContact CB-CB 4.48Å; N127-P221 HydrophobicContact CB-CG 3.92Å; N127-P221 WeakPolarHBondContact OD1-CG 3.31Å
128G86.8Confident82.5Confident5 Ų542.2 Ų42.25%0.05222%0.215CC..Hα-helixtrans-66.2-35.417600000113.3Y124 L125 W126 S132Y124-G128 PolarHBondContact O-N 3.38Å; Y124-G128 VanDerWaalsContact O-N 3.13Å; L125-G128 PolarHBondContact O-N 2.83Å; W126-G128 PolarHBondContact O-N 2.88Å; G128-S132 WeakPolarHBondContact O-CB 3.5Å; G128-S132 PolarHBondContact O-N 3.17Å; G128-S132 PolarHBondContact O-OG 2.94Å
129Y89.1Confident80.3Confident9 Ų942 Ų424%0.03522%0.222CC..Hα-helixtrans-61.2-51.1170.5161.7-106.9000111.4I65 L67 L125 W126 N127 Q131 S132 V133 L161I65-Y129 HydrophobicContact CB-CE2 3.72Å; I65-Y129 HydrophobicContact CD1-CE2 3.85Å; I65-Y129 HydrophobicContact CG1-CE2 4.46Å; I65-Y129 HydrophobicContact CG2-CD2 4.15Å; I65-Y129 HydrophobicContact CG2-CE2 3.56Å; I65-Y129 PolarHBondContact O-OH 2.78Å; L67-Y129 HydrophobicContact CD1-CD1 4.37Å; L67-Y129 HydrophobicContact CD1-CG 4.31Å; L67-Y129 HydrophobicContact CD2-CD2 4.39Å; L125-Y129 PolarHBondContact O-N 3.03Å; W126-Y129 WeakPolarHBondContact O-CB 3.48Å; W126-Y129 PolarHBondContact O-N 3.44Å; N127-Y129 VanDerWaalsContact C-N 3.35Å; N127-Y129 PolarHBondContact O-N 3.21Å; Y129-Q131 PolarHBondContact O-N 2.83Å; Y129-S132 WeakPolarHBondContact O-CB 3.46Å; Y129-S132 PolarHBondContact O-N 2.71Å; Y129-S132 VanDerWaalsContact O-N 3.11Å; Y129-V133 HydrophobicContact CD2-CG2 3.93Å; Y129-V133 HydrophobicContact CE1-CG2 4.39Å; Y129-V133 HydrophobicContact CE2-CG2 3.42Å; Y129-V133 VanDerWaalsContact CE2-CG2 3.42Å; Y129-V133 WeakPolarHBondContact O-CG2 3.27Å; Y129-V133 PolarHBondContact O-N 2.95Å; Y129-L161 HydrophobicContact CE1-CD2 3.99Å
130F86.1Confident78.2Confident2 Ų251.1 Ų51.11%0.00926%0.262CS..Hα-helixtrans-57.3-48.4179.2177.7-94.6000111.3W126 N127 S132 V133 M134 L161 L220W126-F130 HydrophobicContact CE3-CB 4.44Å; W126-F130 HydrophobicContact CH2-CB 4.25Å; W126-F130 AromaticContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CD2 3.92Å; W126-F130 HydrophobicContact CH2-CG 4.2Å; W126-F130 HydrophobicContact CZ2-CB 4.49Å; W126-F130 HydrophobicContact CZ2-CD2 4.22Å; W126-F130 HydrophobicContact CZ3-CB 4.23Å; W126-F130 HydrophobicContact CZ3-CG 4.43Å; W126-F130 WeakPolarHBondContact O-CB 3.18Å; W126-F130 PolarHBondContact O-N 3.1Å; N127-F130 PolarHBondContact O-N 2.95Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3.01Å; F130-V133 PolarHBondContact O-N 3.17Å; F130-V133 VanDerWaalsContact O-N 3.17Å; F130-M134 HydrophobicContact CD1-CG 4.18Å; F130-M134 HydrophobicContact CD2-CE 4.31Å; F130-M134 HydrophobicContact CD2-CG 4.2Å; F130-M134 HydrophobicContact CE1-CB 4.43Å; F130-M134 HydrophobicContact CE1-CG 3.71Å; F130-M134 HydrophobicContact CE2-CE 3.68Å; F130-M134 HydrophobicContact CE2-CG 3.74Å; F130-M134 HydrophobicContact CE2-SD 4.39Å; F130-M134 HydrophobicContact CG-CG 4.4Å; F130-M134 HydrophobicContact CZ-CE 4.18Å; F130-M134 HydrophobicContact CZ-CG 3.45Å; F130-M134 VanDerWaalsContact CZ-CG 3.45Å; F130-M134 HydrophobicContact CZ-SD 4.32Å; F130-M134 WeakPolarHBondContact O-CB 3.38Å; F130-M134 WeakPolarHBondContact O-CG 3.45Å; F130-M134 PolarHBondContact O-N 3.49Å; F130-L161 HydrophobicContact CD2-CD1 3.65Å; F130-L161 HydrophobicContact CE2-CD1 3.82Å; F130-L220 HydrophobicContact CD1-CD2 4.37Å; F130-L220 HydrophobicContact CD2-CD2 3.95Å; F130-L220 HydrophobicContact CE1-CB 4.39Å; F130-L220 HydrophobicContact CE1-CD1 4Å; F130-L220 HydrophobicContact CE1-CD2 3.98Å; F130-L220 HydrophobicContact CE1-CG 4.37Å; F130-L220 HydrophobicContact CE2-CD1 4.02Å; F130-L220 HydrophobicContact CE2-CD2 3.51Å; F130-L220 HydrophobicContact CE2-CG 4.39Å; F130-L220 HydrophobicContact CG-CD2 4.36Å; F130-L220 HydrophobicContact CZ-CB 4.49Å; F130-L220 HydrophobicContact CZ-CD1 3.37Å; F130-L220 HydrophobicContact CZ-CD2 3.55Å; F130-L220 HydrophobicContact CZ-CG 3.99Å
131Q82.1Confident75.8Confident77 Ų7753.6 Ų53.636%0.3628%0.275SS..Hα-helixtrans-58.3-41.5176.3-70.9178.3-10.500111.7N127 Y129 M134 S135 M223N127-Q131 WeakPolarHBondContact O-CB 3.49Å; N127-Q131 VanDerWaalsContact O-CG 3.26Å; N127-Q131 WeakPolarHBondContact O-CG 3.4Å; N127-Q131 PolarHBondContact O-N 3.13Å; Y129-Q131 PolarHBondContact O-N 2.83Å; Q131-M134 PolarHBondContact O-N 3Å; Q131-S135 WeakPolarHBondContact O-CB 3.26Å; Q131-S135 PolarHBondContact O-N 2.96Å; Q131-S135 PolarHBondContact O-OG 2.97Å; Q131-M223 HydrophobicContact CB-CE 3.83Å; Q131-M223 HydrophobicContact CG-CE 3.86Å; Q131-M223 HydrophobicContact CG-CG 4.34Å; Q131-M223 HydrophobicContact CG-SD 4.43Å
132S81.2Confident73.2Confident24 Ų2457 Ų5717%0.16830%0.297CS..Hα-helixtrans-64.3-42176.5-58.20000112.1S32 G128 Y129 F130 S135 I136S32-S132 PolarHBondContact OG-OG 2.92Å; G128-S132 WeakPolarHBondContact O-CB 3.5Å; G128-S132 PolarHBondContact O-N 3.17Å; G128-S132 PolarHBondContact O-OG 2.94Å; Y129-S132 WeakPolarHBondContact O-CB 3.46Å; Y129-S132 PolarHBondContact O-N 2.71Å; Y129-S132 VanDerWaalsContact O-N 3.11Å; F130-S132 VanDerWaalsContact C-N 3.29Å; F130-S132 PolarHBondContact O-N 3.01Å; S132-S135 PolarHBondContact O-OG 3.07Å; S132-I136 WeakPolarHBondContact O-CD1 3.43Å; S132-I136 WeakPolarHBondContact O-CG1 3.35Å; S132-I136 PolarHBondContact O-N 3.47Å
133V79.6Confident70.6Confident12 Ų1263.2 Ų63.27%0.07333%0.325CS..Hα-helixtrans-68.1-42.6179177.70000111.1I65 Y129 F130 T157 L161I65-V133 HydrophobicContact CD1-CG2 3.43Å; I65-V133 VanDerWaalsContact CD1-CG2 3.43Å; Y129-V133 HydrophobicContact CD2-CG2 3.93Å; Y129-V133 HydrophobicContact CE1-CG2 4.39Å; Y129-V133 HydrophobicContact CE2-CG2 3.42Å; Y129-V133 VanDerWaalsContact CE2-CG2 3.42Å; Y129-V133 WeakPolarHBondContact O-CG2 3.27Å; Y129-V133 PolarHBondContact O-N 2.95Å; F130-V133 PolarHBondContact O-N 3.17Å; F130-V133 VanDerWaalsContact O-N 3.17Å; V133-T157 HydrophobicContact CG1-CG2 3.84Å; V133-L161 HydrophobicContact CB-CD2 4.23Å; V133-L161 HydrophobicContact CG1-CD2 3.82Å; V133-L161 HydrophobicContact CG2-CD2 4.27Å
134M74.4Confident68Low14 Ų1468.4 Ų68.47%0.06935%0.354CS..Hα-helixtrans-76.9-24.6-178.1-66.5-57.3152.500113.2F130 Q131 L137 P138 T157 I158 L161 M223F130-M134 HydrophobicContact CD1-CG 4.18Å; F130-M134 HydrophobicContact CD2-CE 4.31Å; F130-M134 HydrophobicContact CD2-CG 4.2Å; F130-M134 HydrophobicContact CE1-CB 4.43Å; F130-M134 HydrophobicContact CE1-CG 3.71Å; F130-M134 HydrophobicContact CE2-CE 3.68Å; F130-M134 HydrophobicContact CE2-CG 3.74Å; F130-M134 HydrophobicContact CE2-SD 4.39Å; F130-M134 HydrophobicContact CG-CG 4.4Å; F130-M134 HydrophobicContact CZ-CE 4.18Å; F130-M134 HydrophobicContact CZ-CG 3.45Å; F130-M134 VanDerWaalsContact CZ-CG 3.45Å; F130-M134 HydrophobicContact CZ-SD 4.32Å; F130-M134 WeakPolarHBondContact O-CB 3.38Å; F130-M134 WeakPolarHBondContact O-CG 3.45Å; F130-M134 PolarHBondContact O-N 3.49Å; Q131-M134 PolarHBondContact O-N 3Å; M134-L137 HydrophobicContact SD-CD2 4.08Å; M134-P138 WeakPolarHBondContact O-CD 3.47Å; M134-T157 HydrophobicContact CE-CG2 3.91Å; M134-I158 HydrophobicContact CE-CG1 3.79Å; M134-L161 HydrophobicContact CE-CD1 3.97Å; M134-L161 HydrophobicContact CE-CD2 4.46Å; M134-M223 HydrophobicContact CB-SD 4.19Å
135S67.8Low65.6Low65 Ų6568.9 Ų68.946%0.45536%0.361SS..Hα-helixtrans-79.6-25.2175.166.90000113.7Q131 S132 L137 P138Q131-S135 WeakPolarHBondContact O-CB 3.26Å; Q131-S135 PolarHBondContact O-N 2.96Å; Q131-S135 PolarHBondContact O-OG 2.97Å; S132-S135 PolarHBondContact O-OG 3.07Å; S135-L137 VanDerWaalsContact C-N 3.31Å; S135-P138 VanDerWaalsContact O-CD 3.24Å; S135-P138 WeakPolarHBondContact O-CD 3.42Å; S135-P138 WeakPolarHBondContact O-CG 3.42Å
136I61.1Low63.2Low62 Ų6270 Ų7032%0.31837%0.371SS..Hα-helixtrans-69.4-33.5174.4-68.5164.1000111V30 W55 S132 S139V30-I136 HydrophobicContact CG1-CD1 4.08Å; W55-I136 HydrophobicContact CH2-CD1 4.02Å; W55-I136 HydrophobicContact CZ3-CD1 4.45Å; S132-I136 WeakPolarHBondContact O-CD1 3.43Å; S132-I136 WeakPolarHBondContact O-CG1 3.35Å; S132-I136 PolarHBondContact O-N 3.47Å; I136-S139 PolarHBondContact O-N 3.19Å; I136-S139 PolarHBondContact O-OG 3.33Å
137L57.3Low61.4Low46 Ų4672.7 Ų72.724%0.24139%0.387CS..THydrogen-bonded Turntrans-60.6-42.9-179.8-110.751.4000115.1M134 S135 S139 N154 T157M134-L137 HydrophobicContact SD-CD2 4.08Å; S135-L137 VanDerWaalsContact C-N 3.31Å; L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.45Å; L137-N154 HydrophobicContact CD2-CB 3.42Å; L137-N154 VanDerWaalsContact CD2-CB 3.42Å; L137-N154 WeakPolarHBondContact CD2-ND2 3.16Å; L137-N154 VanDerWaalsContact CD2-OD1 3.32Å; L137-N154 WeakPolarHBondContact CD2-OD1 3.26Å; L137-T157 HydrophobicContact CD2-CG2 4.18Å
138P52.4Low59.7Low39 Ų3974 Ų7425%0.25339%0.394SS..THydrogen-bonded Turntrans-825.1-179.427.6-35000115.9M134 S135 K140 L141M134-P138 WeakPolarHBondContact O-CD 3.47Å; S135-P138 VanDerWaalsContact O-CD 3.24Å; S135-P138 WeakPolarHBondContact O-CD 3.42Å; S135-P138 WeakPolarHBondContact O-CG 3.42Å; P138-K140 PolarHBondContact O-N 3.49Å; P138-L141 PolarHBondContact O-N 2.8Å; P138-L141 VanDerWaalsContact O-N 3.11Å
139S44Very low58Low101 Ų10178 Ų7871%0.70641%0.413SS*.THydrogen-bonded Turntrans-65.23.4176.860.20000115.3I136 L137I136-S139 PolarHBondContact O-N 3.19Å; I136-S139 PolarHBondContact O-OG 3.33Å; L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.45Å
140K45Very low56.8Low193 Ų19379.6 Ų79.684%0.83942%0.423SS*.THydrogen-bonded Turntrans-113.3-3.5174.2-72.3-171.8176.5-1750115.2P138P138-K140 PolarHBondContact O-N 3.49Å
141L41.9Very low55.9Low119 Ų11980.2 Ų80.262%0.62343%0.426SS*.SBendtrans-127.3120.4-179.7-73.2168.1000109.1P138P138-L141 PolarHBondContact O-N 2.8Å; P138-L141 VanDerWaalsContact O-N 3.11Å
142N36.8Very low55.3Low161 Ų16180.3 Ų80.386%0.86143%0.428SS*.  trans-42.3147.4-174.6-70.6-27.3000114.1
143H37.9Very low54.7Low178 Ų17886.2 Ų86.282%0.82445%0.451SS*.SBendtrans-31.8138.3165.7-85.4-44.1000113.1
144N38.8Very low54.5Low136 Ų13687.4 Ų87.473%0.72746%0.457SS*.SBendtrans95.2118.1165.2-46.1-28.6000113.9
145H41.4Very low54.7Low160 Ų16090.3 Ų90.374%0.74147%0.472SS*.SBendtrans65.195.8175.3-67.5-74.8000117
146C41.4Very low55.2Low49 Ų4991.5 Ų91.533%0.33147%0.474SS..  159.890.8119.1-83.90000112.2N148 L149 N150C146-N148 VanDerWaalsContact C-N 3.33Å; C146-L149 HydrophobicContact CB-CB 3.61Å; C146-L149 HydrophobicContact CB-CD1 4Å; C146-L149 HydrophobicContact CB-CG 3.84Å; C146-L149 WeakPolarHBondContact SG-CD1 3.14Å; C146-L149 WeakPolarHBondContact SG-CG 3.25Å; C146-N150 WeakPolarHBondContact O-CB 3.4Å; C146-N150 PolarHBondContact O-N 3.38Å; C146-N150 PolarHBondContact O-ND2 2.56Å
147T54.6Low56.2Low56 Ų5690 Ų9034%0.34447%0.468SS..Hα-helixtrans-66.3-37.7168.547.70000111.2I151 M223T147-I151 WeakPolarHBondContact O-CG1 3.33Å; T147-M223 HydrophobicContact CG2-CB 4.43Å
148N53.4Low57.5Low47 Ų4788 Ų8825%0.25146%0.457SS..Hα-helixtrans-79.7-44.4-178-63.9-19.6000113.6C146 N150 I151 I152 I237 I284C146-N148 VanDerWaalsContact C-N 3.33Å; N148-N150 PolarHBondContact O-N 3.33Å; N148-I151 WeakPolarHBondContact O-CB 3.09Å; N148-I151 PolarHBondContact O-N 2.81Å; N148-I152 PolarHBondContact O-N 2.9Å; N148-I237 VanDerWaalsContact OD1-CD1 3.23Å; N148-I237 WeakPolarHBondContact OD1-CD1 3.25Å; N148-I284 VanDerWaalsContact ND2-CD1 3.31Å; N148-I284 WeakPolarHBondContact ND2-CD1 3.12Å
149L51.2Low59Low87 Ų8788 Ų8846%0.45545%0.454SS..Hα-helixtrans-63.9-29.7178.7-59.5-177.9000112C146 I151 K153C146-L149 HydrophobicContact CB-CB 3.61Å; C146-L149 HydrophobicContact CB-CD1 4Å; C146-L149 HydrophobicContact CB-CG 3.84Å; C146-L149 WeakPolarHBondContact SG-CD1 3.14Å; C146-L149 WeakPolarHBondContact SG-CG 3.25Å; L149-I151 VanDerWaalsContact C-N 3.31Å; L149-K153 WeakPolarHBondContact O-CB 3.31Å; L149-K153 VanDerWaalsContact O-CG 3.28Å; L149-K153 WeakPolarHBondContact O-CG 3.41Å; L149-K153 PolarHBondContact O-N 3.48Å
150N64.2Low61Low43 Ų4386.2 Ų86.223%0.2343%0.432CS..Hα-helixtrans-67.2-33.6174.8-76.5-19.7000112C146 N148 N154C146-N150 WeakPolarHBondContact O-CB 3.4Å; C146-N150 PolarHBondContact O-N 3.38Å; C146-N150 PolarHBondContact O-ND2 2.56Å; N148-N150 PolarHBondContact O-N 3.33Å; N150-N154 VanDerWaalsContact O-CB 3.26Å; N150-N154 WeakPolarHBondContact O-CB 3.46Å; N150-N154 PolarHBondContact O-N 3.42Å; N150-N154 PolarHBondContact O-ND2 2.87Å
151I67.5Low63Low16 Ų1677.2 Ų77.28%0.08239%0.393CS..Hα-helixtrans-70.2-47.1177.5-68.1169.3000110.4T147 N148 L149 K153 N154 L155 I158 L220 I237 I239T147-I151 WeakPolarHBondContact O-CG1 3.33Å; N148-I151 WeakPolarHBondContact O-CB 3.09Å; N148-I151 PolarHBondContact O-N 2.81Å; L149-I151 VanDerWaalsContact C-N 3.31Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 2.87Å; I151-N154 CarbonylContact O-C 3.32Å; I151-N154 VanDerWaalsContact O-C 3.32Å; I151-N154 PolarHBondContact O-N 3.11Å; I151-L155 PolarHBondContact O-N 3.34Å; I151-L155 VanDerWaalsContact O-N 3.17Å; I151-I158 HydrophobicContact CG2-CD1 3.62Å; I151-L220 HydrophobicContact CD1-CD1 4.18Å; I151-I237 HydrophobicContact CD1-CD1 3.59Å; I151-I237 HydrophobicContact CD1-CG2 4.03Å; I151-I239 HydrophobicContact CG2-CD1 3.59Å
152I68.9Low65.3Low79 Ų7971.7 Ų71.741%0.40536%0.364SS..Hα-helixtrans-61.1-41.7179.7-61.7171.6000110.8N148 N154 L155 F279N148-I152 PolarHBondContact O-N 2.9Å; I152-N154 PolarHBondContact O-N 3.35Å; I152-L155 WeakPolarHBondContact O-CG 3.14Å; I152-F279 HydrophobicContact CD1-CE1 4.35Å; I152-F279 HydrophobicContact CD1-CZ 4.16Å; I152-F279 HydrophobicContact CG1-CE1 4.47Å; I152-F279 HydrophobicContact CG1-CZ 4.26Å; I152-F279 HydrophobicContact CG2-CZ 4.41Å
153K69.4Low68Low147 Ų14764.1 Ų64.164%0.63932%0.324SS*.Hα-helixtrans-68.4-15.5176.6-71.5177.2-179.3-179.20113.5L149 I151L149-K153 WeakPolarHBondContact O-CB 3.31Å; L149-K153 VanDerWaalsContact O-CG 3.28Å; L149-K153 WeakPolarHBondContact O-CG 3.41Å; L149-K153 PolarHBondContact O-N 3.48Å; I151-K153 VanDerWaalsContact C-N 3.31Å; I151-K153 PolarHBondContact O-N 2.87Å
154N74.1Confident70.6Confident38 Ų3857 Ų5720%0.20329%0.291CS..THydrogen-bonded Turntrans-123.828.2-173.7-67.9-66000113.5L137 N150 I151 I152 D156 T157 I158L137-N154 HydrophobicContact CD2-CB 3.42Å; L137-N154 VanDerWaalsContact CD2-CB 3.42Å; L137-N154 WeakPolarHBondContact CD2-ND2 3.16Å; L137-N154 VanDerWaalsContact CD2-OD1 3.32Å; L137-N154 WeakPolarHBondContact CD2-OD1 3.26Å; N150-N154 VanDerWaalsContact O-CB 3.26Å; N150-N154 WeakPolarHBondContact O-CB 3.46Å; N150-N154 PolarHBondContact O-N 3.42Å; N150-N154 PolarHBondContact O-ND2 2.87Å; I151-N154 CarbonylContact O-C 3.32Å; I151-N154 VanDerWaalsContact O-C 3.32Å; I151-N154 PolarHBondContact O-N 3.11Å; I152-N154 PolarHBondContact O-N 3.35Å; N154-D156 PolarHBondContact O-N 3Å; N154-T157 WeakPolarHBondContact O-CA 2.83Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.42Å; N154-T157 PolarHBondContact O-N 3.49Å; N154-I158 PolarHBondContact O-N 3.3Å
155L79.3Confident73.2Confident75 Ų7550.5 Ų50.539%0.39326%0.257SS..Hα-helixtrans-55.5-34.9174.7-68.5176.9000112.5I151 I152 T157 I158 L159I151-L155 PolarHBondContact O-N 3.34Å; I151-L155 VanDerWaalsContact O-N 3.17Å; I152-L155 WeakPolarHBondContact O-CG 3.14Å; L155-T157 PolarHBondContact O-N 2.86Å; L155-I158 HydrophobicContact CD2-CD1 3.93Å; L155-I158 WeakPolarHBondContact O-CA 3.4Å; L155-I158 WeakPolarHBondContact O-CB 3.24Å; L155-I158 PolarHBondContact O-N 2.97Å; L155-L159 PolarHBondContact O-N 2.88Å
156D78.5Confident75.7Confident90 Ų9042.9 Ų42.948%0.48122%0.221SC..Hα-helixtrans-56.9-38172.7-90.914.7000112.9N154 I158 R160N154-D156 PolarHBondContact O-N 3Å; D156-I158 VanDerWaalsContact C-N 3.34Å; D156-R160 VanDerWaalsContact O-CG 3.28Å; D156-R160 WeakPolarHBondContact O-CG 3.44Å; D156-R160 PolarHBondContact O-N 2.95Å; D156-R160 IonicContact OD2-NH2 3.34Å
157T82.1Confident78.2Confident31 Ų3143 Ų4319%0.1922%0.217CC..Hα-helixtrans-67.4-40.1176.2-58.70000109.8V133 M134 L137 N154 L155 L159 R160 L161V133-T157 HydrophobicContact CG1-CG2 3.84Å; M134-T157 HydrophobicContact CE-CG2 3.91Å; L137-T157 HydrophobicContact CD2-CG2 4.18Å; N154-T157 WeakPolarHBondContact O-CA 2.83Å; N154-T157 VanDerWaalsContact O-CB 3.25Å; N154-T157 WeakPolarHBondContact O-CB 3.42Å; N154-T157 PolarHBondContact O-N 3.49Å; L155-T157 PolarHBondContact O-N 2.86Å; T157-L159 PolarHBondContact O-N 3.17Å; T157-R160 CarbonylContact O-C 3.56Å; T157-R160 WeakPolarHBondContact O-CA 3.39Å; T157-R160 WeakPolarHBondContact O-CB 3.4Å; T157-R160 PolarHBondContact O-N 3.34Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.93Å; T157-L161 VanDerWaalsContact O-N 3.09Å
158I83.9Confident80.1Confident3 Ų340.4 Ų40.42%0.01520%0.201CC..Hα-helixtrans-62.9-43.3179-61.4169.4000111.2M134 I151 N154 L155 D156 R160 L161 L218 I239 L241M134-I158 HydrophobicContact CE-CG1 3.79Å; I151-I158 HydrophobicContact CG2-CD1 3.62Å; N154-I158 PolarHBondContact O-N 3.3Å; L155-I158 HydrophobicContact CD2-CD1 3.93Å; L155-I158 WeakPolarHBondContact O-CA 3.4Å; L155-I158 WeakPolarHBondContact O-CB 3.24Å; L155-I158 PolarHBondContact O-N 2.97Å; D156-I158 VanDerWaalsContact C-N 3.34Å; I158-R160 PolarHBondContact O-N 3.46Å; I158-L161 HydrophobicContact CB-CD1 4.47Å; I158-L161 HydrophobicContact CG1-CD1 4.44Å; I158-L161 HydrophobicContact CG2-CD1 4.45Å; I158-L161 WeakPolarHBondContact O-CB 3.5Å; I158-L161 PolarHBondContact O-N 3.09Å; I158-L161 VanDerWaalsContact O-N 3.09Å; I158-L218 HydrophobicContact CG2-CD2 4.09Å; I158-I239 HydrophobicContact CD1-CD1 3.32Å; I158-I239 HydrophobicContact CG1-CD1 4.47Å; I158-I239 HydrophobicContact CG2-CD1 4.38Å; I158-L241 HydrophobicContact CG2-CD2 4.34Å
159L84.4Confident82Confident38 Ų3841.7 Ų41.720%0.19920%0.204CC..Hα-helixtrans-60.7-27.5174.2-68.3176.9000112.7L155 T157 L241 L246 R253 W258L155-L159 PolarHBondContact O-N 2.88Å; T157-L159 PolarHBondContact O-N 3.17Å; L159-L241 HydrophobicContact CD2-CD2 4.4Å; L159-L246 HydrophobicContact CD2-CD2 4.33Å; L159-R253 WeakPolarHBondContact O-CD 3.44Å; L159-R253 PolarHBondContact O-NE 2.76Å; L159-W258 HydrophobicContact CB-CH2 4Å; L159-W258 HydrophobicContact CB-CZ2 3.71Å; L159-W258 HydrophobicContact CD1-CD2 4.27Å; L159-W258 HydrophobicContact CD1-CE3 4.1Å; L159-W258 HydrophobicContact CD1-CZ3 4.24Å
160R85.8Confident84Confident65 Ų6537.5 Ų37.525%0.24518%0.183CC..Hα-helixtrans-88.7-9.9178.6-66.3177.7-160.5-163.616.1113.6S62 D156 T157 I158 A254S62-R160 PolarHBondContact OG-NH1 2.94Å; D156-R160 VanDerWaalsContact O-CG 3.28Å; D156-R160 WeakPolarHBondContact O-CG 3.44Å; D156-R160 PolarHBondContact O-N 2.95Å; D156-R160 IonicContact OD2-NH2 3.34Å; T157-R160 CarbonylContact O-C 3.56Å; T157-R160 WeakPolarHBondContact O-CA 3.39Å; T157-R160 WeakPolarHBondContact O-CB 3.4Å; T157-R160 PolarHBondContact O-N 3.34Å; I158-R160 PolarHBondContact O-N 3.46Å; R160-A254 HydrophobicContact CB-CB 4.36Å
161L87.1Confident85.3Confident3 Ų339 Ų392%0.01619%0.19CC..SBendtrans-63.8149.4179.8-67.8176.2000111.6Y129 F130 V133 M134 T157 I158 L163 R253Y129-L161 HydrophobicContact CE1-CD2 3.99Å; F130-L161 HydrophobicContact CD2-CD1 3.65Å; F130-L161 HydrophobicContact CE2-CD1 3.82Å; V133-L161 HydrophobicContact CB-CD2 4.23Å; V133-L161 HydrophobicContact CG1-CD2 3.82Å; V133-L161 HydrophobicContact CG2-CD2 4.27Å; M134-L161 HydrophobicContact CE-CD1 3.97Å; M134-L161 HydrophobicContact CE-CD2 4.46Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.93Å; T157-L161 VanDerWaalsContact O-N 3.09Å; I158-L161 HydrophobicContact CB-CD1 4.47Å; I158-L161 HydrophobicContact CG1-CD1 4.44Å; I158-L161 HydrophobicContact CG2-CD1 4.45Å; I158-L161 WeakPolarHBondContact O-CB 3.5Å; I158-L161 PolarHBondContact O-N 3.09Å; I158-L161 VanDerWaalsContact O-N 3.09Å; L161-L163 HydrophobicContact CB-CD2 4.44Å; L161-L163 PolarHBondContact O-N 3.46Å; L161-R253 PolarHBondContact O-NH2 3.46Å
162N90.7Very high86.3Confident3 Ų346.2 Ų46.22%0.01622%0.216CC..  trans-73.8120.7160.8-171.8-1.2000108.4W126 I164 A250W126-N162 PolarHBondContact NE1-O 3.04Å; N162-I164 WeakPolarHBondContact OD1-CB 3.13Å; N162-I164 WeakPolarHBondContact OD1-CD1 3.47Å; N162-I164 VanDerWaalsContact OD1-CG1 3.27Å; N162-I164 WeakPolarHBondContact OD1-CG1 3.49Å; N162-I164 PolarHBondContact OD1-N 2.72Å; N162-I164 VanDerWaalsContact OD1-N 3.1Å; N162-A250 HydrophobicContact CB-CB 4.27Å
163L92.5Very high87.3Confident2 Ų243.5 Ų43.51%0.0121%0.205CC..  trans-92.40.8-177.8-62.4176.2000112.6W126 L161 G165 A166 V184 F192 L218 L241 L246W126-L163 HydrophobicContact CZ2-CD2 4.4Å; L161-L163 HydrophobicContact CB-CD2 4.44Å; L161-L163 PolarHBondContact O-N 3.46Å; L163-G165 PolarHBondContact O-N 3.26Å; L163-A166 HydrophobicContact CB-CB 4.28Å; L163-A166 HydrophobicContact CD2-CB 4.33Å; L163-A166 WeakPolarHBondContact O-CB 3.13Å; L163-A166 PolarHBondContact O-N 2.86Å; L163-V184 VanDerWaalsContact O-CB 3.25Å; L163-V184 WeakPolarHBondContact O-CB 3.25Å; L163-F192 HydrophobicContact CB-CE1 4.48Å; L163-F192 HydrophobicContact CD1-CE1 4.4Å; L163-F192 HydrophobicContact CD1-CZ 3.96Å; L163-L218 HydrophobicContact CD2-CD2 4.34Å; L163-L241 HydrophobicContact CD1-CD1 4.26Å; L163-L246 HydrophobicContact CD1-CD1 4.16Å; L163-L246 HydrophobicContact CD1-CD2 4.48Å
164I93.4Very high88.1Confident28 Ų2841.9 Ų41.914%0.14421%0.207CC..THydrogen-bonded Turntrans-65.2116.6174.1-61.3168.1000109.3L68 L122 N162 V184 I185 E187L68-I164 HydrophobicContact CD2-CD1 4.07Å; L122-I164 HydrophobicContact CD2-CG2 4.27Å; N162-I164 WeakPolarHBondContact OD1-CB 3.13Å; N162-I164 WeakPolarHBondContact OD1-CD1 3.47Å; N162-I164 VanDerWaalsContact OD1-CG1 3.27Å; N162-I164 WeakPolarHBondContact OD1-CG1 3.49Å; N162-I164 PolarHBondContact OD1-N 2.72Å; N162-I164 VanDerWaalsContact OD1-N 3.1Å; I164-V184 CarbonylContact C-O 3.48Å; I164-I185 WeakPolarHBondContact CG2-O 3.34Å; I164-E187 HydrophobicContact CD1-CB 4.29Å; I164-E187 HydrophobicContact CG1-CB 3.93Å
165G93.4Very high88.6Confident0 Ų043.5 Ų43.50%022%0.221CC..THydrogen-bonded Turntrans98.9-10.1-173.100000114.1H123 L163 V184H123-G165 WeakPolarHBondContact CA-O 3.27Å; H123-G165 PolarHBondContact ND1-O 2.88Å; H123-G165 VanDerWaalsContact ND1-O 3.1Å; L163-G165 PolarHBondContact O-N 3.26Å; G165-V184 PolarHBondContact N-O 2.65Å
166A93.6Very high88.8Confident0 Ų041.5 Ų41.50%021%0.213CC..  trans-70.1145.2175.700000111.1W126 L163 I183 V184 L218W126-A166 HydrophobicContact CD2-CB 3.9Å; W126-A166 HydrophobicContact CE3-CB 4.22Å; W126-A166 HydrophobicContact CH2-CB 3.98Å; W126-A166 HydrophobicContact CZ2-CB 3.61Å; W126-A166 HydrophobicContact CZ3-CB 4.26Å; L163-A166 HydrophobicContact CB-CB 4.28Å; L163-A166 HydrophobicContact CD2-CB 4.33Å; L163-A166 WeakPolarHBondContact O-CB 3.13Å; L163-A166 PolarHBondContact O-N 2.86Å; A166-I183 WeakPolarHBondContact O-CA 3.39Å; A166-V184 PolarHBondContact O-N 3Å; A166-L218 HydrophobicContact CB-CD1 3.74Å
167Q94.1Very high89.1Confident53 Ų5347.3 Ų47.325%0.24823%0.229CC..EExtended strand (participates in β ladder)trans-86.1118.6170.9-176.81684.300108.8E181 T219Q167-E181 HydrophobicContact CG-CG 4.41Å; Q167-E181 PolarHBondContact NE2-OE1 3.19Å; Q167-T219 PolarHBondContact O-N 2.69Å
168L94.2Very high89.4Confident0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-119.9137.1178.8-65.5-176000110E181 G182 V184 F192 L194 F216 L217 L218 L241L168-E181 WeakPolarHBondContact O-CA 3.36Å; L168-G182 PolarHBondContact N-O 2.94Å; L168-G182 PolarHBondContact O-N 2.9Å; L168-V184 HydrophobicContact CB-CG2 4.39Å; L168-V184 HydrophobicContact CD1-CG2 3.39Å; L168-V184 HydrophobicContact CG-CG2 3.73Å; L168-F192 HydrophobicContact CD1-CD2 4.31Å; L168-F192 HydrophobicContact CD1-CE2 4.29Å; L168-L194 HydrophobicContact CB-CD2 4.43Å; L168-F216 HydrophobicContact CD1-CB 4.47Å; L168-F216 HydrophobicContact CD1-CD1 4.4Å; L168-F216 HydrophobicContact CD1-CG 4.46Å; L168-F216 HydrophobicContact CD2-CB 4.4Å; L168-L217 WeakPolarHBondContact CA-O 3.46Å; L168-L218 HydrophobicContact CD2-CB 3.84Å; L168-L218 HydrophobicContact CD2-CD1 3.74Å; L168-L218 HydrophobicContact CD2-CG 4.4Å; L168-L241 HydrophobicContact CD2-CD1 4.46Å
169K94.1Very high89.7Confident74 Ų7451 Ų5132%0.32227%0.268SS..EExtended strand (participates in β ladder)trans-112.3130.2168.2176.6178.7-178.9177.90109.7L171 I180 E181 F216 L217K169-L171 HydrophobicContact CD-CD2 4.41Å; K169-L171 HydrophobicContact CG-CD2 4.43Å; K169-L171 PolarHBondContact O-N 3.18Å; K169-I180 CarbonylContact C-O 3.52Å; K169-I180 WeakPolarHBondContact CA-O 3.32Å; K169-E181 HydrophobicContact CB-CB 4.25Å; K169-E181 HydrophobicContact CB-CG 4.18Å; K169-E181 HydrophobicContact CG-CB 4.36Å; K169-F216 CarbonylContact O-C 3.53Å; K169-F216 WeakPolarHBondContact O-CA 3.41Å; K169-L217 HydrophobicContact CB-CB 4.2Å; K169-L217 HydrophobicContact CD-CD2 4.33Å; K169-L217 PolarHBondContact N-O 2.92Å; K169-L217 PolarHBondContact O-N 2.89Å
170I92.8Very high90Very high0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-82113.7178.1-51.3170.9000107.7G179 I180 L194 I209 F216I170-G179 PolarHBondContact O-N 2.8Å; I170-I180 HydrophobicContact CD1-CB 3.78Å; I170-I180 HydrophobicContact CD1-CD1 4.39Å; I170-I180 HydrophobicContact CD1-CG2 4.15Å; I170-I180 HydrophobicContact CG1-CB 4.37Å; I170-I180 PolarHBondContact N-O 3.35Å; I170-L194 HydrophobicContact CD1-CD1 4.44Å; I170-L194 HydrophobicContact CG1-CD1 4.43Å; I170-I209 HydrophobicContact CD1-CB 4.4Å; I170-I209 HydrophobicContact CD1-CD1 3.36Å; I170-I209 HydrophobicContact CD1-CG1 3.66Å; I170-I209 HydrophobicContact CD1-CG2 3.98Å; I170-I209 HydrophobicContact CG1-CD1 4.34Å; I170-F216 HydrophobicContact CG1-CD1 4.17Å; I170-F216 HydrophobicContact CG1-CE1 4.12Å
171L91.2Very high90.4Very high73 Ų7351.9 Ų51.938%0.38227%0.274SS..EExtended strand (participates in β ladder)trans-85.8-38175.5-66-175.7000111.9K169 A178 L215 L217 L240K169-L171 HydrophobicContact CD-CD2 4.41Å; K169-L171 HydrophobicContact CG-CD2 4.43Å; K169-L171 PolarHBondContact O-N 3.18Å; L171-A178 VanDerWaalsContact O-CB 3.3Å; L171-A178 WeakPolarHBondContact O-CB 3.13Å; L171-L215 HydrophobicContact CB-CB 4.48Å; L171-L215 PolarHBondContact N-O 2.81Å; L171-L217 HydrophobicContact CD1-CB 4.02Å; L171-L217 HydrophobicContact CD1-CD1 4.22Å; L171-L217 HydrophobicContact CD2-CB 4.32Å; L171-L217 HydrophobicContact CD2-CD2 4.3Å; L171-L217 HydrophobicContact CG-CB 3.95Å; L171-L240 HydrophobicContact CD1-CD1 3.63Å
172R89.8Confident90.7Very high169 Ų16952.1 Ų52.164%0.63828%0.277SS*.EExtended strand (participates in β ladder)trans-145.8143.4179-174.3178.1172.8123.7-1.5108.9S214 L215R172-S214 CarbonylContact O-C 3.49Å; R172-S214 VanDerWaalsContact O-CA 3.26Å; R172-S214 WeakPolarHBondContact O-CA 3.4Å; R172-L215 HydrophobicContact CB-CB 4.1Å; R172-L215 HydrophobicContact CB-CD1 4.13Å; R172-L215 HydrophobicContact CB-CG 4.27Å; R172-L215 PolarHBondContact N-O 2.81Å; R172-L215 PolarHBondContact O-N 3.07Å
173S88.1Confident90.8Very high22 Ų2252.7 Ų52.715%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-150.8147165.8-175.30000109.5S175 C176 G213 S214S173-S175 PolarHBondContact OG-N 3.15Å; S173-S175 PolarHBondContact OG-OG 3.17Å; S173-C176 WeakPolarHBondContact CB-SG 3.25Å; S173-C176 PolarHBondContact OG-N 2.77Å; S173-C176 PolarHBondContact OG-SG 2.8Å; S173-C176 VanDerWaalsContact OG-SG 3.34Å; S173-G213 WeakPolarHBondContact CA-O 3.38Å; S173-S214 WeakPolarHBondContact CB-OG 3.36Å; S173-S214 PolarHBondContact OG-OG 2.84Å
174T87.2Confident91Very high112 Ų11252.6 Ų52.669%0.68728%0.279SS*.SBendtrans-77.1-11.2171.253.60000113.2G213T174-G213 PolarHBondContact N-O 3.04Å
175S84.1Confident91Very high73 Ų7353.2 Ų53.251%0.5128%0.283SS..SBendtrans-133.8-15.4-165.462.90000115S173 P210S173-S175 PolarHBondContact OG-N 3.15Å; S173-S175 PolarHBondContact OG-OG 3.17Å; S175-P210 WeakPolarHBondContact OG-CD 3.23Å; S175-P210 WeakPolarHBondContact OG-CG 3.45Å
176C83.8Confident90.9Very high33 Ų3357.4 Ų57.422%0.22330%0.303CS..SBendtrans-134.6164.8177.169.70000111.1S173 A178S173-C176 WeakPolarHBondContact CB-SG 3.25Å; S173-C176 PolarHBondContact OG-N 2.77Å; S173-C176 PolarHBondContact OG-SG 2.8Å; S173-C176 VanDerWaalsContact OG-SG 3.34Å; C176-A178 PolarHBondContact O-N 2.79Å
177R84.6Confident90.8Very high212 Ų21258.4 Ų58.480%0.831%0.308SS*.  trans-64.8133.6177.7-64.2-178.8179.3172.9-1.2110.2I180R177-I180 HydrophobicContact CB-CD1 4.14Å; R177-I180 HydrophobicContact CB-CG1 4.49Å; R177-I180 WeakPolarHBondContact O-CD1 3.48Å
178A89.3Confident90.6Very high62 Ų6258 Ų5851%0.51231%0.31SS..THydrogen-bonded Turntrans-69160.5167.600000110.7L171 C176 I180L171-A178 VanDerWaalsContact O-CB 3.3Å; L171-A178 WeakPolarHBondContact O-CB 3.13Å; C176-A178 PolarHBondContact O-N 2.79Å; A178-I180 VanDerWaalsContact C-N 3.32Å; A178-I180 PolarHBondContact O-N 2.92Å
179G89.9Confident90.4Very high50 Ų5063.1 Ų63.152%0.51533%0.332SS..THydrogen-bonded Turntrans85.7-5.4179.200000115I170 E181I170-G179 PolarHBondContact O-N 2.8Å; G179-E181 PolarHBondContact O-N 2.82Å
180I90.8Very high90.2Very high41 Ų4163.6 Ų63.621%0.2134%0.338CS..  trans-69.7128.4175.5-63.7173.5000109.5K169 I170 R177 A178 I196K169-I180 CarbonylContact C-O 3.52Å; K169-I180 WeakPolarHBondContact CA-O 3.32Å; I170-I180 HydrophobicContact CD1-CB 3.78Å; I170-I180 HydrophobicContact CD1-CD1 4.39Å; I170-I180 HydrophobicContact CD1-CG2 4.15Å; I170-I180 HydrophobicContact CG1-CB 4.37Å; I170-I180 PolarHBondContact N-O 3.35Å; R177-I180 HydrophobicContact CB-CD1 4.14Å; R177-I180 HydrophobicContact CB-CG1 4.49Å; R177-I180 WeakPolarHBondContact O-CD1 3.48Å; A178-I180 VanDerWaalsContact C-N 3.32Å; A178-I180 PolarHBondContact O-N 2.92Å; I180-I196 HydrophobicContact CG2-CD1 3.35Å; I180-I196 HydrophobicContact CG2-CG1 3.79Å
181E93Very high90.2Very high80 Ų8065.2 Ų65.237%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-120.3137.4176.3-175.4174.1178.500110.3Q167 L168 K169 G179Q167-E181 HydrophobicContact CG-CG 4.41Å; Q167-E181 PolarHBondContact NE2-OE1 3.19Å; L168-E181 WeakPolarHBondContact O-CA 3.36Å; K169-E181 HydrophobicContact CB-CB 4.25Å; K169-E181 HydrophobicContact CB-CG 4.18Å; K169-E181 HydrophobicContact CG-CB 4.36Å; G179-E181 PolarHBondContact O-N 2.82Å
182G93.3Very high90.3Very high7 Ų761.8 Ų61.87%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-172.1171.4179.900000114.2L168 A195L168-G182 PolarHBondContact N-O 2.94Å; L168-G182 PolarHBondContact O-N 2.9Å; G182-A195 CarbonylContact C-O 3.59Å; G182-A195 WeakPolarHBondContact CA-O 3.28Å
183I94.8Very high90.4Very high15 Ų1553.9 Ų53.98%0.07730%0.3CS..EExtended strand (participates in β ladder)trans-92.9129.6179.2-62.9162.6000108.9H123 A166 I185 L194 A195H123-I183 HydrophobicContact CB-CD1 3.84Å; H123-I183 HydrophobicContact CB-CG1 4.26Å; H123-I183 HydrophobicContact CB-CG2 4.34Å; A166-I183 WeakPolarHBondContact O-CA 3.39Å; I183-I185 PolarHBondContact O-N 2.89Å; I183-L194 CarbonylContact O-C 3.11Å; I183-L194 WeakPolarHBondContact O-CA 3.45Å; I183-A195 PolarHBondContact N-O 2.82Å; I183-A195 PolarHBondContact O-N 3.3Å
184V94.8Very high90.7Very high0 Ų052.9 Ų52.90%029%0.293CS..EExtended strand (participates in β ladder)trans-69.6113.9177.2-178.80000109.8L163 I164 G165 A166 L168 F192 L194L163-V184 VanDerWaalsContact O-CB 3.25Å; L163-V184 WeakPolarHBondContact O-CB 3.25Å; I164-V184 CarbonylContact C-O 3.48Å; G165-V184 PolarHBondContact N-O 2.65Å; A166-V184 PolarHBondContact O-N 3Å; L168-V184 HydrophobicContact CB-CG2 4.39Å; L168-V184 HydrophobicContact CD1-CG2 3.39Å; L168-V184 HydrophobicContact CG-CG2 3.73Å; V184-F192 HydrophobicContact CG1-CD1 3.86Å; V184-F192 HydrophobicContact CG1-CE1 4.47Å; V184-F192 HydrophobicContact CG2-CD1 4.49Å; V184-L194 HydrophobicContact CB-CD2 4.1Å; V184-L194 HydrophobicContact CG2-CD2 3.42Å; V184-L194 VanDerWaalsContact CG2-CD2 3.42Å
185I93.5Very high91Very high41 Ų4147.6 Ų47.621%0.2126%0.261CS..EExtended strand (participates in β ladder)trans-93.8-33.6176.4-65.3-170.3000111.4I114 I164 I183 C193 A195 L206I114-I185 HydrophobicContact CB-CD1 4.39Å; I114-I185 HydrophobicContact CD1-CD1 3.54Å; I114-I185 HydrophobicContact CD1-CG2 4.09Å; I114-I185 HydrophobicContact CG1-CD1 4.48Å; I114-I185 HydrophobicContact CG2-CD1 4.23Å; I164-I185 WeakPolarHBondContact CG2-O 3.34Å; I183-I185 PolarHBondContact O-N 2.89Å; I185-C193 PolarHBondContact N-O 3.24Å; I185-A195 HydrophobicContact CD1-CB 3.3Å; I185-A195 HydrophobicContact CG1-CB 3.87Å; I185-L206 HydrophobicContact CD1-CD2 3.84Å
186M91.7Very high91.4Very high88 Ų8845.7 Ų45.743%0.43325%0.245SC..EExtended strand (participates in β ladder)trans-141.1138.3-178.5-179.917958.300110T188 C193M186-T188 HydrophobicContact CE-CG2 4.3Å; M186-T188 HydrophobicContact CG-CG2 4.4Å; M186-T188 HydrophobicContact SD-CG2 4.38Å; M186-C193 HydrophobicContact CB-CB 3.83Å; M186-C193 HydrophobicContact CE-CB 3.91Å; M186-C193 PolarHBondContact N-O 3.23Å; M186-C193 PolarHBondContact O-N 3.49Å
187E91.7Very high91.6Very high22 Ų2249.3 Ų49.310%0.10326%0.262CS..EExtended strand (participates in β ladder)trans-117.7121.1172.8170.9160.4-146.400109.3I164 F192 K211 A250 R253I164-E187 HydrophobicContact CD1-CB 4.29Å; I164-E187 HydrophobicContact CG1-CB 3.93Å; E187-F192 HydrophobicContact CB-CD1 4.06Å; E187-F192 HydrophobicContact CB-CE1 4.06Å; E187-F192 HydrophobicContact CG-CD1 4.08Å; E187-F192 HydrophobicContact CG-CE1 3.74Å; E187-F192 WeakPolarHBondContact OE1-CE1 3.25Å; E187-K211 IonicContact OE1-NZ 2.6Å; E187-K211 PolarHBondContact OE1-NZ 2.98Å; E187-A250 WeakPolarHBondContact OE2-CB 3.49Å; E187-R253 VanDerWaalsContact CD-NH1 3.32Å; E187-R253 IonicContact OE1-CZ 3.97Å; E187-R253 IonicContact OE1-NH1 3.37Å; E187-R253 PolarHBondContact OE1-NH1 2.79Å; E187-R253 IonicContact OE1-NH2 2.95Å; E187-R253 PolarHBondContact OE1-NH2 2.88Å; E187-R253 IonicContact OE2-CZ 2.69Å; E187-R253 IonicContact OE2-NH1 3.69Å; E187-R253 PolarHBondContact OE2-NH1 3.17Å; E187-R253 IonicContact OE2-NH2 3.71Å; E187-R253 PolarHBondContact OE2-NH2 2.74Å
188T90.2Very high91.4Very high45 Ų4541.4 Ų41.428%0.27624%0.239SC..  trans-101.7-172.2169.682.30000110M186 N190 T191 K211M186-T188 HydrophobicContact CE-CG2 4.3Å; M186-T188 HydrophobicContact CG-CG2 4.4Å; M186-T188 HydrophobicContact SD-CG2 4.38Å; T188-N190 PolarHBondContact OG1-N 3.02Å; T188-T191 PolarHBondContact N-O 3.39Å; T188-T191 PolarHBondContact OG1-N 2.98Å; T188-T191 PolarHBondContact OG1-O 3.33Å; T188-T191 PolarHBondContact OG1-OG1 3.2Å; T188-K211 WeakPolarHBondContact O-CE 3.45Å; T188-K211 PolarHBondContact O-NZ 3.2Å
189K89.2Confident90.5Very high107 Ų10747.4 Ų47.447%0.46526%0.261SS..SBendtrans-59.6-57.9174.4-167.3-177.4172.8-177.20109.4K211 I247 R249K189-K211 WeakPolarHBondContact O-CE 3.45Å; K189-K211 PolarHBondContact O-NZ 3.03Å; K189-I247 CarbonylContact C-O 3.57Å; K189-I247 VanDerWaalsContact C-O 3.26Å; K189-I247 WeakPolarHBondContact CG-O 3.28Å; K189-I247 CarbonylContact O-C 3.58Å; K189-R249 HydrophobicContact CB-CG 4.15Å
190N89.8Confident89.3Confident84 Ų8452.5 Ų52.545%0.44927%0.271SS..SBendtrans-106.9-3.5-169.8-61.23.6000114.2T188 P210 K211T188-N190 PolarHBondContact OG1-N 3.02Å; N190-P210 CarbonylContact O-C 3.47Å; N190-P210 WeakPolarHBondContact O-CA 3Å; N190-K211 WeakPolarHBondContact O-CG 3.36Å; N190-K211 PolarHBondContact O-N 2.6Å
191T92.6Very high88Confident34 Ų3455.5 Ų55.521%0.20929%0.288CS..EExtended strand (participates in β ladder)trans-136.1152.1-175.567.50000112.6T188 T208 I209 P210T188-T191 PolarHBondContact N-O 3.39Å; T188-T191 PolarHBondContact OG1-N 2.98Å; T188-T191 PolarHBondContact OG1-O 3.33Å; T188-T191 PolarHBondContact OG1-OG1 3.2Å; T191-T208 HydrophobicContact CG2-CG2 4.08Å; T191-I209 CarbonylContact C-O 3.26Å; T191-I209 WeakPolarHBondContact CA-O 3.48Å; T191-I209 WeakPolarHBondContact CB-O 3.49Å; T191-P210 HydrophobicContact CG2-CB 4.48Å
192F93.8Very high87.3Confident0 Ų059.7 Ų59.70%031%0.308CS..EExtended strand (participates in β ladder)trans-104.3145.7161.9-69.6-59.4000109.6L163 L168 V184 E187 L194 T208 I209 K211 F216 L246L163-F192 HydrophobicContact CB-CE1 4.48Å; L163-F192 HydrophobicContact CD1-CE1 4.4Å; L163-F192 HydrophobicContact CD1-CZ 3.96Å; L168-F192 HydrophobicContact CD1-CD2 4.31Å; L168-F192 HydrophobicContact CD1-CE2 4.29Å; V184-F192 HydrophobicContact CG1-CD1 3.86Å; V184-F192 HydrophobicContact CG1-CE1 4.47Å; V184-F192 HydrophobicContact CG2-CD1 4.49Å; E187-F192 HydrophobicContact CB-CD1 4.06Å; E187-F192 HydrophobicContact CB-CE1 4.06Å; E187-F192 HydrophobicContact CG-CD1 4.08Å; E187-F192 HydrophobicContact CG-CE1 3.74Å; E187-F192 WeakPolarHBondContact OE1-CE1 3.25Å; F192-L194 HydrophobicContact CB-CD2 4.45Å; F192-T208 CarbonylContact O-C 3.54Å; F192-T208 WeakPolarHBondContact O-CA 3.42Å; F192-I209 PolarHBondContact N-O 2.78Å; F192-I209 PolarHBondContact O-N 3.34Å; F192-K211 HydrophobicContact CD2-CD 4.28Å; F192-K211 HydrophobicContact CD2-CG 3.76Å; F192-K211 HydrophobicContact CE2-CD 3.86Å; F192-K211 HydrophobicContact CE2-CG 3.7Å; F192-K211 HydrophobicContact CG-CG 4.43Å; F192-K211 HydrophobicContact CZ-CD 4Å; F192-K211 HydrophobicContact CZ-CG 4.34Å; F192-F216 HydrophobicContact CD2-CE1 4.16Å; F192-F216 HydrophobicContact CD2-CE2 4.05Å; F192-F216 AromaticContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CE2-CD2 4.27Å; F192-F216 AromaticContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CZ 4.17Å; F192-L246 HydrophobicContact CE2-CD1 4.06Å; F192-L246 HydrophobicContact CZ-CB 4.43Å; F192-L246 HydrophobicContact CZ-CD1 4.06Å
193C93.1Very high86.8Confident4 Ų463.2 Ų63.23%0.02732%0.324CS..EExtended strand (participates in β ladder)trans-108.2113.2165.9-163.70000108I185 M186 T207I185-C193 PolarHBondContact N-O 3.24Å; M186-C193 HydrophobicContact CB-CB 3.83Å; M186-C193 HydrophobicContact CE-CB 3.91Å; M186-C193 PolarHBondContact N-O 3.23Å; M186-C193 PolarHBondContact O-N 3.49Å; C193-T207 CarbonylContact C-O 3.59Å; C193-T207 VanDerWaalsContact CA-O 3.27Å; C193-T207 WeakPolarHBondContact CA-O 3.46Å
194L94.1Very high86.4Confident0 Ų063.1 Ų63.10%032%0.324CS..EExtended strand (participates in β ladder)trans-98139.3178-59.2-172.8000110.3L168 I170 I183 V184 F192 L206 T207 I209L168-L194 HydrophobicContact CB-CD2 4.43Å; I170-L194 HydrophobicContact CD1-CD1 4.44Å; I170-L194 HydrophobicContact CG1-CD1 4.43Å; I183-L194 CarbonylContact O-C 3.11Å; I183-L194 WeakPolarHBondContact O-CA 3.45Å; V184-L194 HydrophobicContact CB-CD2 4.1Å; V184-L194 HydrophobicContact CG2-CD2 3.42Å; V184-L194 VanDerWaalsContact CG2-CD2 3.42Å; F192-L194 HydrophobicContact CB-CD2 4.45Å; L194-L206 WeakPolarHBondContact O-CA 3.26Å; L194-T207 PolarHBondContact N-O 2.91Å; L194-T207 PolarHBondContact O-N 3.09Å; L194-I209 HydrophobicContact CB-CD1 4.12Å; L194-I209 HydrophobicContact CD1-CD1 3.3Å; L194-I209 HydrophobicContact CG-CD1 3.54Å
195A93.7Very high86.2Confident1 Ų165.9 Ų65.91%0.00834%0.341CS..EExtended strand (participates in β ladder)trans-90117.3160.100000109.5G182 I183 I185 M204 T205 L206G182-A195 CarbonylContact C-O 3.59Å; G182-A195 WeakPolarHBondContact CA-O 3.28Å; I183-A195 PolarHBondContact N-O 2.82Å; I183-A195 PolarHBondContact O-N 3.3Å; I185-A195 HydrophobicContact CD1-CB 3.3Å; I185-A195 HydrophobicContact CG1-CB 3.87Å; A195-M204 HydrophobicContact CB-CB 3.86Å; A195-M204 HydrophobicContact CB-CG 4.5Å; A195-M204 HydrophobicContact CB-SD 3.86Å; A195-T205 WeakPolarHBondContact CA-O 3.39Å; A195-L206 HydrophobicContact CB-CD2 3.84Å
196I92.4Very high86.1Confident34 Ų3465.3 Ų65.317%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-100.1136.9178.5-55.3170.8000108.1I180 S198 M204 T205 T207I180-I196 HydrophobicContact CG2-CD1 3.35Å; I180-I196 HydrophobicContact CG2-CG1 3.79Å; I196-S198 PolarHBondContact O-N 2.89Å; I196-M204 CarbonylContact O-C 3.55Å; I196-M204 WeakPolarHBondContact O-CA 3.42Å; I196-M204 VanDerWaalsContact O-CB 3.25Å; I196-M204 WeakPolarHBondContact O-CB 3.15Å; I196-T205 PolarHBondContact N-O 3.03Å; I196-T205 PolarHBondContact O-N 2.74Å; I196-T207 HydrophobicContact CD1-CG2 3.38Å; I196-T207 VanDerWaalsContact CD1-OG1 3.25Å; I196-T207 WeakPolarHBondContact CD1-OG1 3.43Å; I196-T207 HydrophobicContact CG1-CG2 4.4Å
197N87.1Confident86.1Confident109 Ų10963.1 Ų63.158%0.58333%0.33SS*.EExtended strand (participates in β ladder)trans-68.4116.9173.1-162.618.5000109.9M204N197-M204 HydrophobicContact CB-CE 4.28Å
198S79.8Confident86.1Confident46 Ų4665 Ų6532%0.32234%0.343SS..PPolyproline II helixtrans-84.5130.4171.3-174.70000108.4I196 H200I196-S198 PolarHBondContact O-N 2.89Å; S198-H200 PolarHBondContact O-N 3.21Å
199L71Confident86.2Confident187 Ų18763 Ų6398%0.97933%0.33SS*.THydrogen-bonded Turntrans-55.9-22.6-174.4-147.896.7000113.7
200H65.5Low86.3Confident157 Ų15759.9 Ų59.973%0.72732%0.321SS*.THydrogen-bonded Turntrans-107.9-6.6-164.5-157.8-64.4000114.8S198S198-H200 PolarHBondContact O-N 3.21Å
201N63.6Low86.5Confident104 Ų10455.9 Ų55.956%0.55630%0.3SS*.SBendtrans-151.8158.8-176-84.1-40.4000112.5L203N201-L203 HydrophobicContact CB-CB 4.21Å; N201-L203 PolarHBondContact O-N 3.26Å
202Q78.2Confident86.3Confident169 Ų16959.4 Ų59.479%0.7932%0.317SS*.SBendtrans-64.214.9167-64.5180-6.700113.3S116S116-Q202 WeakPolarHBondContact CB-O 2.95Å; S116-Q202 PolarHBondContact N-O 3.37Å; S116-Q202 PolarHBondContact OG-O 3.15Å
203L82.4Confident85.9Confident81 Ų8160.6 Ų60.642%0.42433%0.329SS..EExtended strand (participates in β ladder)trans-111.4128179.8-69.2174.8000109.2A113 N201A113-L203 HydrophobicContact CB-CB 4.25Å; A113-L203 HydrophobicContact CB-CD2 4.44Å; N201-L203 HydrophobicContact CB-CB 4.21Å; N201-L203 PolarHBondContact O-N 3.26Å
204M87.2Confident85.7Confident12 Ų1260.4 Ų60.46%0.05933%0.328CS..EExtended strand (participates in β ladder)trans-91.1136.1170.8-67.9-171.8167.300110.1A113 I114 S119 I120 A195 I196 N197A113-M204 CarbonylContact C-O 3.53Å; A113-M204 VanDerWaalsContact CA-O 3.22Å; A113-M204 WeakPolarHBondContact CA-O 3.36Å; I114-M204 PolarHBondContact N-O 2.99Å; I114-M204 PolarHBondContact O-N 3.2Å; S119-M204 WeakPolarHBondContact CB-SD 3.22Å; S119-M204 PolarHBondContact OG-SD 3.41Å; I120-M204 HydrophobicContact CG1-CE 4.3Å; A195-M204 HydrophobicContact CB-CB 3.86Å; A195-M204 HydrophobicContact CB-CG 4.5Å; A195-M204 HydrophobicContact CB-SD 3.86Å; I196-M204 CarbonylContact O-C 3.55Å; I196-M204 WeakPolarHBondContact O-CA 3.42Å; I196-M204 VanDerWaalsContact O-CB 3.25Å; I196-M204 WeakPolarHBondContact O-CB 3.15Å; N197-M204 HydrophobicContact CB-CE 4.28Å
205T89.9Confident85.7Confident58 Ų5863 Ų6336%0.35634%0.341SS..EExtended strand (participates in β ladder)trans-83.4140.3175.853.20000110.3A195 I196A195-T205 WeakPolarHBondContact CA-O 3.39Å; I196-T205 PolarHBondContact N-O 3.03Å; I196-T205 PolarHBondContact O-N 2.74Å
206L91.1Very high85.6Confident30 Ų3063 Ų6316%0.15734%0.341CS..EExtended strand (participates in β ladder)trans-95.2123.3179.2-57.7-167.2000111.5P111 S112 I114 I185 L194 A195P111-L206 HydrophobicContact CG-CD1 4.39Å; P111-L206 WeakPolarHBondContact O-CD1 3.22Å; S112-L206 PolarHBondContact O-N 3.45Å; I114-L206 HydrophobicContact CB-CD2 4.26Å; I114-L206 HydrophobicContact CD1-CD1 3.54Å; I114-L206 HydrophobicContact CD1-CD2 3.8Å; I114-L206 HydrophobicContact CD1-CG 4.17Å; I114-L206 HydrophobicContact CG1-CD1 3.85Å; I114-L206 HydrophobicContact CG1-CD2 3.97Å; I114-L206 HydrophobicContact CG1-CG 4.17Å; I185-L206 HydrophobicContact CD1-CD2 3.84Å; L194-L206 WeakPolarHBondContact O-CA 3.26Å; A195-L206 HydrophobicContact CB-CD2 3.84Å
207T90.9Very high85.6Confident42 Ų4262.2 Ų62.226%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-118.7138.8174.257.80000110.4C193 L194 I196C193-T207 CarbonylContact C-O 3.59Å; C193-T207 VanDerWaalsContact CA-O 3.27Å; C193-T207 WeakPolarHBondContact CA-O 3.46Å; L194-T207 PolarHBondContact N-O 2.91Å; L194-T207 PolarHBondContact O-N 3.09Å; I196-T207 HydrophobicContact CD1-CG2 3.38Å; I196-T207 VanDerWaalsContact CD1-OG1 3.25Å; I196-T207 WeakPolarHBondContact CD1-OG1 3.43Å; I196-T207 HydrophobicContact CG1-CG2 4.4Å
208T92.1Very high85.8Confident61 Ų6157 Ų5737%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-104.2122.8176.5-54.70000108.6K110 T191 F192K110-T208 PolarHBondContact NZ-OG1 3.29Å; T191-T208 HydrophobicContact CG2-CG2 4.08Å; F192-T208 CarbonylContact O-C 3.54Å; F192-T208 WeakPolarHBondContact O-CA 3.42Å
209I92.2Very high86.2Confident2 Ų255.4 Ų55.41%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-119.4130.1-175.3-67.4135.7000108.9I170 T191 F192 L194 F216I170-I209 HydrophobicContact CD1-CB 4.4Å; I170-I209 HydrophobicContact CD1-CD1 3.36Å; I170-I209 HydrophobicContact CD1-CG1 3.66Å; I170-I209 HydrophobicContact CD1-CG2 3.98Å; I170-I209 HydrophobicContact CG1-CD1 4.34Å; T191-I209 CarbonylContact C-O 3.26Å; T191-I209 WeakPolarHBondContact CA-O 3.48Å; T191-I209 WeakPolarHBondContact CB-O 3.49Å; F192-I209 PolarHBondContact N-O 2.78Å; F192-I209 PolarHBondContact O-N 3.34Å; L194-I209 HydrophobicContact CB-CD1 4.12Å; L194-I209 HydrophobicContact CD1-CD1 3.3Å; L194-I209 HydrophobicContact CG-CD1 3.54Å; I209-F216 HydrophobicContact CG2-CE1 3.84Å; I209-F216 HydrophobicContact CG2-CZ 3.98Å
210P92.8Very high86.8Confident43 Ų4346.7 Ų46.728%0.27925%0.252SS..EExtended strand (participates in β ladder)trans-75145.7173.633.4-34.8000111.2S175 N190 T191 S214S175-P210 WeakPolarHBondContact OG-CD 3.23Å; S175-P210 WeakPolarHBondContact OG-CG 3.45Å; N190-P210 CarbonylContact O-C 3.47Å; N190-P210 WeakPolarHBondContact O-CA 3Å; T191-P210 HydrophobicContact CG2-CB 4.48Å; P210-S214 WeakPolarHBondContact O-CB 3.47Å; P210-S214 PolarHBondContact O-OG 3.47Å
211K92.6Very high87.1Confident0 Ų040.6 Ų40.60%023%0.226CC..SBendtrans-78.3-39.6-179.9-58.6-178.3-172.6175.50111.7E187 T188 K189 N190 F192 G213 S214 G243 L246 H248E187-K211 IonicContact OE1-NZ 2.6Å; E187-K211 PolarHBondContact OE1-NZ 2.98Å; T188-K211 WeakPolarHBondContact O-CE 3.45Å; T188-K211 PolarHBondContact O-NZ 3.2Å; K189-K211 WeakPolarHBondContact O-CE 3.45Å; K189-K211 PolarHBondContact O-NZ 3.03Å; N190-K211 WeakPolarHBondContact O-CG 3.36Å; N190-K211 PolarHBondContact O-N 2.6Å; F192-K211 HydrophobicContact CD2-CD 4.28Å; F192-K211 HydrophobicContact CD2-CG 3.76Å; F192-K211 HydrophobicContact CE2-CD 3.86Å; F192-K211 HydrophobicContact CE2-CG 3.7Å; F192-K211 HydrophobicContact CG-CG 4.43Å; F192-K211 HydrophobicContact CZ-CD 4Å; F192-K211 HydrophobicContact CZ-CG 4.34Å; K211-G213 PolarHBondContact O-N 3.41Å; K211-S214 PolarHBondContact O-N 3.42Å; K211-S214 VanDerWaalsContact O-N 3.17Å; K211-G243 WeakPolarHBondContact CB-O 3.39Å; K211-G243 CarbonylContact O-C 3.16Å; K211-G243 WeakPolarHBondContact O-CA 3.37Å; K211-L246 HydrophobicContact CD-CB 4.03Å; K211-L246 WeakPolarHBondContact CD-O 3.47Å; K211-L246 WeakPolarHBondContact CE-O 3.19Å; K211-L246 PolarHBondContact NZ-O 3.2Å; K211-H248 PolarHBondContact NZ-O 3.06Å
212L89.2Confident87.3Confident108 Ų10839 Ų3957%0.56522%0.215SC*.THydrogen-bonded Turntrans-59.3129.3179.2-171.886000110.2S214 D244 I247L212-S214 PolarHBondContact O-N 2.91Å; L212-D244 VanDerWaalsContact CA-OD1 3.25Å; L212-D244 WeakPolarHBondContact CA-OD1 3.18Å; L212-D244 WeakPolarHBondContact CD1-OD1 3.4Å; L212-I247 HydrophobicContact CD1-CD1 3.54Å
213G85.5Confident86.4Confident25 Ų2533.6 Ų33.626%0.25819%0.191SC..THydrogen-bonded Turntrans70.315.1179.100000114.8S173 T174 K211 D244S173-G213 WeakPolarHBondContact CA-O 3.38Å; T174-G213 PolarHBondContact N-O 3.04Å; K211-G213 PolarHBondContact O-N 3.41Å; G213-D244 PolarHBondContact N-OD1 3.25Å
214S89.3Confident84.8Confident0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-113.2139.4178.8-61.40000111.7R172 S173 P210 K211 L212 F216 G243R172-S214 CarbonylContact O-C 3.49Å; R172-S214 VanDerWaalsContact O-CA 3.26Å; R172-S214 WeakPolarHBondContact O-CA 3.4Å; S173-S214 WeakPolarHBondContact CB-OG 3.36Å; S173-S214 PolarHBondContact OG-OG 2.84Å; P210-S214 WeakPolarHBondContact O-CB 3.47Å; P210-S214 PolarHBondContact O-OG 3.47Å; K211-S214 PolarHBondContact O-N 3.42Å; K211-S214 VanDerWaalsContact O-N 3.17Å; L212-S214 PolarHBondContact O-N 2.91Å; S214-F216 VanDerWaalsContact CB-CZ 3.4Å; S214-G243 VanDerWaalsContact O-CA 3.3Å; S214-G243 WeakPolarHBondContact O-CA 3.48Å; S214-G243 PolarHBondContact O-N 2.98Å
215L92.4Very high82.8Confident55 Ų5540.7 Ų40.729%0.28823%0.227SC..EExtended strand (participates in β ladder)trans-107.5123.8169.8-66.8178.7000109.2L171 R172 L240 N242L171-L215 HydrophobicContact CB-CB 4.48Å; L171-L215 PolarHBondContact N-O 2.81Å; R172-L215 HydrophobicContact CB-CB 4.1Å; R172-L215 HydrophobicContact CB-CD1 4.13Å; R172-L215 HydrophobicContact CB-CG 4.27Å; R172-L215 PolarHBondContact N-O 2.81Å; R172-L215 PolarHBondContact O-N 3.07Å; L215-L240 HydrophobicContact CB-CD1 4.32Å; L215-N242 HydrophobicContact CD2-CB 4.09Å
216F92.7Very high80.3Confident0 Ų045.8 Ų45.80%025%0.252CS..EExtended strand (participates in β ladder)trans-111.8136-179-55.2-79.2000110.2L168 K169 I170 F192 I209 S214 L241 L246L168-F216 HydrophobicContact CD1-CB 4.47Å; L168-F216 HydrophobicContact CD1-CD1 4.4Å; L168-F216 HydrophobicContact CD1-CG 4.46Å; L168-F216 HydrophobicContact CD2-CB 4.4Å; K169-F216 CarbonylContact O-C 3.53Å; K169-F216 WeakPolarHBondContact O-CA 3.41Å; I170-F216 HydrophobicContact CG1-CD1 4.17Å; I170-F216 HydrophobicContact CG1-CE1 4.12Å; F192-F216 HydrophobicContact CD2-CE1 4.16Å; F192-F216 HydrophobicContact CD2-CE2 4.05Å; F192-F216 AromaticContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CD2-CZ 3.8Å; F192-F216 HydrophobicContact CE2-CD2 4.27Å; F192-F216 AromaticContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CE2 3.94Å; F192-F216 HydrophobicContact CE2-CZ 4.17Å; I209-F216 HydrophobicContact CG2-CE1 3.84Å; I209-F216 HydrophobicContact CG2-CZ 3.98Å; S214-F216 VanDerWaalsContact CB-CZ 3.4Å; F216-L241 HydrophobicContact CB-CB 4.36Å; F216-L241 PolarHBondContact N-O 3.23Å; F216-L241 PolarHBondContact O-N 3.17Å; F216-L246 HydrophobicContact CD2-CD1 4.41Å
217L92.4Very high78.1Confident17 Ų1751.3 Ų51.39%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-97.4117.3168.5-170.270000107.9L168 K169 L171 E238L168-L217 WeakPolarHBondContact CA-O 3.46Å; K169-L217 HydrophobicContact CB-CB 4.2Å; K169-L217 HydrophobicContact CD-CD2 4.33Å; K169-L217 PolarHBondContact N-O 2.92Å; K169-L217 PolarHBondContact O-N 2.89Å; L171-L217 HydrophobicContact CD1-CB 4.02Å; L171-L217 HydrophobicContact CD1-CD1 4.22Å; L171-L217 HydrophobicContact CD2-CB 4.32Å; L171-L217 HydrophobicContact CD2-CD2 4.3Å; L171-L217 HydrophobicContact CG-CB 3.95Å; L217-E238 HydrophobicContact CD1-CB 3.72Å; L217-E238 HydrophobicContact CD2-CB 4.41Å; L217-E238 HydrophobicContact CD2-CG 4.48Å; L217-E238 HydrophobicContact CG-CB 4.09Å
218L91.8Very high75.5Confident0 Ų055.3 Ų55.30%031%0.306CS..EExtended strand (participates in β ladder)trans-91.2116.5173.3172.864.2000108.9W126 I158 L163 A166 L168 L220 E238 I239 L241W126-L218 HydrophobicContact CH2-CD1 3.84Å; W126-L218 HydrophobicContact CH2-CD2 4.41Å; W126-L218 HydrophobicContact CZ2-CD1 4.34Å; I158-L218 HydrophobicContact CG2-CD2 4.09Å; L163-L218 HydrophobicContact CD2-CD2 4.34Å; A166-L218 HydrophobicContact CB-CD1 3.74Å; L168-L218 HydrophobicContact CD2-CB 3.84Å; L168-L218 HydrophobicContact CD2-CD1 3.74Å; L168-L218 HydrophobicContact CD2-CG 4.4Å; L218-L220 HydrophobicContact CD1-CD2 4.35Å; L218-L220 HydrophobicContact CD2-CD2 3.82Å; L218-L220 HydrophobicContact CG-CD2 3.84Å; L218-L220 HydrophobicContact CG-CG 4.38Å; L218-E238 WeakPolarHBondContact O-CA 3.44Å; L218-I239 HydrophobicContact CB-CB 4.34Å; L218-I239 PolarHBondContact N-O 3.03Å; L218-I239 PolarHBondContact O-N 2.99Å; L218-L241 HydrophobicContact CB-CD1 3.86Å; L218-L241 HydrophobicContact CB-CG 4.34Å; L218-L241 HydrophobicContact CD2-CD1 4.17Å
219T87.5Confident73.1Confident13 Ų1357 Ų578%0.0832%0.321CS..EExtended strand (participates in β ladder)trans-91.7122.2174.7-52.40000109.2Q167 K236Q167-T219 PolarHBondContact O-N 2.69Å; T219-K236 HydrophobicContact CG2-CB 4.31Å; T219-K236 HydrophobicContact CG2-CD 4.06Å; T219-K236 HydrophobicContact CG2-CG 4.49Å
220L83.5Confident70.7Confident4 Ų467.3 Ų67.32%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-101.1144.6179.4-60.7177.8000111.1W126 F130 I151 L218 I237 I239W126-L220 HydrophobicContact CH2-CD2 3.64Å; W126-L220 HydrophobicContact CZ3-CD2 4.12Å; F130-L220 HydrophobicContact CD1-CD2 4.37Å; F130-L220 HydrophobicContact CD2-CD2 3.95Å; F130-L220 HydrophobicContact CE1-CB 4.39Å; F130-L220 HydrophobicContact CE1-CD1 4Å; F130-L220 HydrophobicContact CE1-CD2 3.98Å; F130-L220 HydrophobicContact CE1-CG 4.37Å; F130-L220 HydrophobicContact CE2-CD1 4.02Å; F130-L220 HydrophobicContact CE2-CD2 3.51Å; F130-L220 HydrophobicContact CE2-CG 4.39Å; F130-L220 HydrophobicContact CG-CD2 4.36Å; F130-L220 HydrophobicContact CZ-CB 4.49Å; F130-L220 HydrophobicContact CZ-CD1 3.37Å; F130-L220 HydrophobicContact CZ-CD2 3.55Å; F130-L220 HydrophobicContact CZ-CG 3.99Å; I151-L220 HydrophobicContact CD1-CD1 4.18Å; L218-L220 HydrophobicContact CD1-CD2 4.35Å; L218-L220 HydrophobicContact CD2-CD2 3.82Å; L218-L220 HydrophobicContact CG-CD2 3.84Å; L218-L220 HydrophobicContact CG-CG 4.38Å; L220-I237 HydrophobicContact CB-CB 4.16Å; L220-I237 HydrophobicContact CD1-CB 4.41Å; L220-I237 HydrophobicContact CD1-CG2 4.02Å; L220-I237 PolarHBondContact N-O 2.9Å; L220-I239 HydrophobicContact CD1-CD1 3.43Å; L220-I239 VanDerWaalsContact CD1-CD1 3.43Å; L220-I239 HydrophobicContact CD1-CG1 4.04Å; L220-I239 HydrophobicContact CG-CD1 4.3Å
221P72.9Confident68.5Low28 Ų2870.6 Ų70.618%0.18239%0.385CS..PPolyproline II helixtrans-66.8137.7171.930.6-35.9000109.9N127 M223N127-P221 HydrophobicContact CB-CB 4.48Å; N127-P221 HydrophobicContact CB-CG 3.92Å; N127-P221 WeakPolarHBondContact OD1-CG 3.31Å; P221-M223 PolarHBondContact O-N 3.33Å
222Q66.6Low65.8Low71 Ų7176 Ų7633%0.33242%0.423SS..PPolyproline II helixtrans-59.4120.8172.4-170.2179.21.700109.2M224Q222-M224 PolarHBondContact O-N 3.04Å; Q222-M224 VanDerWaalsContact O-N 3.15Å
223M59.5Low63.7Low55 Ų5575.3 Ų75.327%0.27142%0.424SS..  trans-78.795.2168.7-61.4-165.373.300106.8Q131 M134 T147 P221 N225Q131-M223 HydrophobicContact CB-CE 3.83Å; Q131-M223 HydrophobicContact CG-CE 3.86Å; Q131-M223 HydrophobicContact CG-CG 4.34Å; Q131-M223 HydrophobicContact CG-SD 4.43Å; M134-M223 HydrophobicContact CB-SD 4.19Å; T147-M223 HydrophobicContact CG2-CB 4.43Å; P221-M223 PolarHBondContact O-N 3.33Å; M223-N225 PolarHBondContact O-N 2.83Å
224M48.8Very low62.2Low128 Ų12880.9 Ų80.963%0.63144%0.443SS*.  trans-63118179.6-74-149.1163.100110.3Q222Q222-M224 PolarHBondContact O-N 3.04Å; Q222-M224 VanDerWaalsContact O-N 3.15Å
225N45.2Very low60.7Low114 Ų11485 Ų8561%0.6146%0.462SS*.  trans-79.5128.2153.3-95.2-6.3000107M223 Q227M223-N225 PolarHBondContact O-N 2.83Å; N225-Q227 PolarHBondContact O-N 2.8Å
226N37.9Very low59.7Low165 Ų16588.9 Ų88.988%0.88248%0.476SS*.  trans-63.875.9170-71.2-20.1000110.2
227Q43.6Very low59Low146 Ų14689.9 Ų89.968%0.68248%0.481SS*.  trans-128.9107.8163.3-75.2-170.7-14.400108.4N225 S229N225-Q227 PolarHBondContact O-N 2.8Å; Q227-S229 PolarHBondContact O-N 2.99Å; Q227-S229 VanDerWaalsContact O-N 3.07Å
228S36.5Very low58.6Low126 Ų12692.7 Ų92.788%0.88149%0.494SS*.  trans-40.5100.9166.948.90000112.9
229S41.9Very low58.4Low98 Ų9893.4 Ų93.469%0.68550%0.498SS*.  trans-148.2125.915358.70000109.6Q227 T231Q227-S229 PolarHBondContact O-N 2.99Å; Q227-S229 VanDerWaalsContact O-N 3.07Å; S229-T231 PolarHBondContact O-N 2.98Å
230K42.7Very low58.5Low218 Ų21896.2 Ų96.295%0.94851%0.512SS*.  trans-79.848.4-168.3-71.2176.9172.6175.40113.1
231T45.2Very low58.8Low111 Ų11196.4 Ų96.468%0.68151%0.513SS*.  trans-129.986.2172.749.90000109.6S229 T233S229-T231 PolarHBondContact O-N 2.98Å; T231-T233 VanDerWaalsContact C-N 3.31Å; T231-T233 PolarHBondContact O-N 2.83Å
232S37.3Very low59.6Low114 Ų11497 Ų9780%0.79752%0.515SS*.  trans-74.574.1-174.956.80000112.3
233T45.4Very low60.7Low94 Ų9493.7 Ų93.758%0.57750%0.499SS*.  trans-98.3108155.353.80000106.9T231 Q235T231-T233 VanDerWaalsContact C-N 3.31Å; T231-T233 PolarHBondContact O-N 2.83Å; T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact O-N 2.91Å
234H52.4Low62Low142 Ų14293.5 Ų93.566%0.65750%0.499SS*.  trans-62.192175.4-77.3-77.4000109.2K236H234-K236 PolarHBondContact O-N 3.44Å
235Q59.1Low63.8Low87 Ų8790.4 Ų90.441%0.40748%0.483SS..  trans-68.6104.7175.2-73.1-175.8-14.300108.5T233T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact O-N 2.91Å
236K69.9Low65.8Low136 Ų13685 Ų8559%0.59145%0.454SS*.  trans-82.4136.1170.8-66.9-180-179.71790108.5T219 H234T219-K236 HydrophobicContact CG2-CB 4.31Å; T219-K236 HydrophobicContact CG2-CD 4.06Å; T219-K236 HydrophobicContact CG2-CG 4.49Å; H234-K236 PolarHBondContact O-N 3.44Å
237I78Confident68.1Low20 Ų2079.1 Ų79.110%0.10342%0.422CS..EExtended strand (participates in β ladder)trans-93.5123.9172.8-57.8168.9000107N148 I151 L220 I239N148-I237 VanDerWaalsContact OD1-CD1 3.23Å; N148-I237 WeakPolarHBondContact OD1-CD1 3.25Å; I151-I237 HydrophobicContact CD1-CD1 3.59Å; I151-I237 HydrophobicContact CD1-CG2 4.03Å; L220-I237 HydrophobicContact CB-CB 4.16Å; L220-I237 HydrophobicContact CD1-CB 4.41Å; L220-I237 HydrophobicContact CD1-CG2 4.02Å; L220-I237 PolarHBondContact N-O 2.9Å; I237-I239 HydrophobicContact CG2-CG1 4.48Å
238E85.2Confident70Confident76 Ų7674.5 Ų74.536%0.35540%0.4SS..EExtended strand (participates in β ladder)trans-116.8133-178.6-57.2-171.3152.100109.9L217 L218L217-E238 HydrophobicContact CD1-CB 3.72Å; L217-E238 HydrophobicContact CD2-CB 4.41Å; L217-E238 HydrophobicContact CD2-CG 4.48Å; L217-E238 HydrophobicContact CG-CB 4.09Å; L218-E238 WeakPolarHBondContact O-CA 3.44Å
239I87Confident72.4Confident16 Ų1675.3 Ų75.38%0.08238%0.384CS..EExtended strand (participates in β ladder)trans-122.9124.4-178.3-58.5-176.1000109.1I151 I158 L218 L220 I237 L241I151-I239 HydrophobicContact CG2-CD1 3.59Å; I158-I239 HydrophobicContact CD1-CD1 3.32Å; I158-I239 HydrophobicContact CG1-CD1 4.47Å; I158-I239 HydrophobicContact CG2-CD1 4.38Å; L218-I239 HydrophobicContact CB-CB 4.34Å; L218-I239 PolarHBondContact N-O 3.03Å; L218-I239 PolarHBondContact O-N 2.99Å; L220-I239 HydrophobicContact CD1-CD1 3.43Å; L220-I239 VanDerWaalsContact CD1-CD1 3.43Å; L220-I239 HydrophobicContact CD1-CG1 4.04Å; L220-I239 HydrophobicContact CG-CD1 4.3Å; I237-I239 HydrophobicContact CG2-CG1 4.48Å; I239-L241 HydrophobicContact CG2-CD2 3.96Å; I239-L241 HydrophobicContact CG2-CG 4.45Å
240L90.1Very high74.4Confident71 Ų7170.9 Ų70.937%0.37235%0.354SS..EExtended strand (participates in β ladder)trans-80.2124.4174.4-17163000110.6L171 L215L171-L240 HydrophobicContact CD1-CD1 3.63Å; L215-L240 HydrophobicContact CB-CD1 4.32Å
241L90.6Very high76.5Confident8 Ų863.9 Ų63.94%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-117.6121179.2-59.7177.3000110.2I158 L159 L163 L168 F216 L218 I239 G243 L246I158-L241 HydrophobicContact CG2-CD2 4.34Å; L159-L241 HydrophobicContact CD2-CD2 4.4Å; L163-L241 HydrophobicContact CD1-CD1 4.26Å; L168-L241 HydrophobicContact CD2-CD1 4.46Å; F216-L241 HydrophobicContact CB-CB 4.36Å; F216-L241 PolarHBondContact N-O 3.23Å; F216-L241 PolarHBondContact O-N 3.17Å; L218-L241 HydrophobicContact CB-CD1 3.86Å; L218-L241 HydrophobicContact CB-CG 4.34Å; L218-L241 HydrophobicContact CD2-CD1 4.17Å; I239-L241 HydrophobicContact CG2-CD2 3.96Å; I239-L241 HydrophobicContact CG2-CG 4.45Å; L241-G243 PolarHBondContact O-N 3.28Å; L241-L246 HydrophobicContact CB-CD1 4.05Å; L241-L246 HydrophobicContact CD1-CD1 4.23Å
242N89.7Confident78.4Confident42 Ų4261.4 Ų61.423%0.22531%0.308CS..EExtended strand (participates in β ladder)trans-77.4118.4169.6-175.3-4.2000110.1L215 D244 H245L215-N242 HydrophobicContact CD2-CB 4.09Å; N242-D244 PolarHBondContact O-N 3.39Å; N242-D244 PolarHBondContact OD1-N 3.06Å; N242-H245 PolarHBondContact O-N 3.49Å; N242-H245 VanDerWaalsContact O-N 3.12Å
243G89.1Confident80.7Confident0 Ų056 Ų560%027%0.27CS..G310 helixtrans-63.4-23.8-178.800000114K211 S214 L241 H245 L246 I247K211-G243 WeakPolarHBondContact CB-O 3.39Å; K211-G243 CarbonylContact O-C 3.16Å; K211-G243 WeakPolarHBondContact O-CA 3.37Å; S214-G243 VanDerWaalsContact O-CA 3.3Å; S214-G243 WeakPolarHBondContact O-CA 3.48Å; S214-G243 PolarHBondContact O-N 2.98Å; L241-G243 PolarHBondContact O-N 3.28Å; G243-H245 PolarHBondContact O-N 2.94Å; G243-L246 WeakPolarHBondContact O-CA 3.23Å; G243-L246 PolarHBondContact O-N 3.33Å; G243-I247 PolarHBondContact O-N 3.03Å
244D86.7Confident82.5Confident52 Ų5251.6 Ų51.628%0.27824%0.244SC..G310 helixtrans-63.4-32.8174.9-67.9-16.3000111.9L212 G213 N242 L246 I247L212-D244 VanDerWaalsContact CA-OD1 3.25Å; L212-D244 WeakPolarHBondContact CA-OD1 3.18Å; L212-D244 WeakPolarHBondContact CD1-OD1 3.4Å; G213-D244 PolarHBondContact N-OD1 3.25Å; N242-D244 PolarHBondContact O-N 3.39Å; N242-D244 PolarHBondContact OD1-N 3.06Å; D244-L246 VanDerWaalsContact C-N 3.28Å; D244-L246 PolarHBondContact O-N 3.12Å; D244-I247 WeakPolarHBondContact O-CD1 3.28Å; D244-I247 VanDerWaalsContact O-CG1 3.28Å; D244-I247 WeakPolarHBondContact O-CG1 3.42Å
245H85.5Confident83.9Confident63 Ų6349.8 Ų49.829%0.29224%0.238SC..G310 helixtrans-76.9-17.7174.2-61.8-40.7000112.4N242 G243 W258N242-H245 PolarHBondContact O-N 3.49Å; N242-H245 VanDerWaalsContact O-N 3.12Å; G243-H245 PolarHBondContact O-N 2.94Å; H245-W258 HydrophobicContact CB-CZ3 4.11Å; H245-W258 VanDerWaalsContact O-CH2 3.25Å; H245-W258 WeakPolarHBondContact O-CH2 3.47Å; H245-W258 VanDerWaalsContact O-CZ3 3.31Å; H245-W258 WeakPolarHBondContact O-CZ3 3.42Å
246L88.3Confident84.8Confident1 Ų149.8 Ų49.81%0.00523%0.234CC..G310 helixtrans-95.35.8-177.7-60.1178.6000114.4L159 L163 F192 K211 F216 L241 G243 D244 H248L159-L246 HydrophobicContact CD2-CD2 4.33Å; L163-L246 HydrophobicContact CD1-CD1 4.16Å; L163-L246 HydrophobicContact CD1-CD2 4.48Å; F192-L246 HydrophobicContact CE2-CD1 4.06Å; F192-L246 HydrophobicContact CZ-CB 4.43Å; F192-L246 HydrophobicContact CZ-CD1 4.06Å; K211-L246 HydrophobicContact CD-CB 4.03Å; K211-L246 WeakPolarHBondContact CD-O 3.47Å; K211-L246 WeakPolarHBondContact CE-O 3.19Å; K211-L246 PolarHBondContact NZ-O 3.2Å; F216-L246 HydrophobicContact CD2-CD1 4.41Å; L241-L246 HydrophobicContact CB-CD1 4.05Å; L241-L246 HydrophobicContact CD1-CD1 4.23Å; G243-L246 WeakPolarHBondContact O-CA 3.23Å; G243-L246 PolarHBondContact O-N 3.33Å; D244-L246 VanDerWaalsContact C-N 3.28Å; D244-L246 PolarHBondContact O-N 3.12Å; L246-H248 PolarHBondContact O-N 3.25Å
247I86.6Confident85.3Confident40 Ų4051.8 Ų51.821%0.20524%0.243CC..  trans-59.3-10-178.3-64.2169.8000114K189 L212 G243 D244K189-I247 CarbonylContact C-O 3.57Å; K189-I247 VanDerWaalsContact C-O 3.26Å; K189-I247 WeakPolarHBondContact CG-O 3.28Å; K189-I247 CarbonylContact O-C 3.58Å; L212-I247 HydrophobicContact CD1-CD1 3.54Å; G243-I247 PolarHBondContact O-N 3.03Å; D244-I247 WeakPolarHBondContact O-CD1 3.28Å; D244-I247 VanDerWaalsContact O-CG1 3.28Å; D244-I247 WeakPolarHBondContact O-CG1 3.42Å
248H83.9Confident85.3Confident49 Ų4953.2 Ų53.223%0.22725%0.247CC..SBendtrans-95.7151.7175.6-63-84000110.4K211 L246 D252 R253 R256K211-H248 PolarHBondContact NZ-O 3.06Å; L246-H248 PolarHBondContact O-N 3.25Å; H248-D252 HydrophobicContact CB-CB 3.95Å; H248-R253 HydrophobicContact CB-CG 3.87Å; H248-R253 PolarHBondContact O-NH1 3.36Å; H248-R256 PolarHBondContact CD2-NH1 3.18Å; H248-R256 VanDerWaalsContact NE2-CZ 3.28Å; H248-R256 PolarHBondContact NE2-NH1 2.81Å
249R85Confident85Confident143 Ų14359.6 Ų59.654%0.5427%0.268SS..  trans-63.1157.7174.2-60.7177.2178.2-175.8-0.6109.5K189 I251 D252 R253K189-R249 HydrophobicContact CB-CG 4.15Å; R249-I251 PolarHBondContact O-N 3.43Å; R249-D252 WeakPolarHBondContact CB-OD2 2.83Å; R249-D252 WeakPolarHBondContact O-CB 3.15Å; R249-D252 PolarHBondContact O-N 2.91Å; R249-R253 PolarHBondContact O-N 2.8Å
250A85.8Confident84.4Confident5 Ų567 Ų674%0.04130%0.296CS..Hα-helixtrans-48.4-47177.100000112.7N162 E187 D252 R253 A254N162-A250 HydrophobicContact CB-CB 4.27Å; E187-A250 WeakPolarHBondContact OE2-CB 3.49Å; A250-D252 VanDerWaalsContact C-N 3.29Å; A250-D252 PolarHBondContact O-N 2.74Å; A250-R253 PolarHBondContact O-N 2.88Å; A250-A254 WeakPolarHBondContact O-CB 3.25Å; A250-A254 PolarHBondContact O-N 3.39Å
251I84.8Confident83.5Confident72 Ų7268.1 Ų68.137%0.36930%0.302SS..Hα-helixtrans-62.7-37.5-179-146.1144.9000112.3N66 R249 I255N66-I251 HydrophobicContact CB-CD1 4.23Å; N66-I251 WeakPolarHBondContact ND2-CG1 3.3Å; R249-I251 PolarHBondContact O-N 3.43Å; I251-I255 PolarHBondContact O-N 2.76Å
252D86Confident82.2Confident58 Ų5871.1 Ų71.131%0.3132%0.321SS..Hα-helixtrans-73.8-44.1-179.6-61.2-35.1000109.6H248 R249 A250 A254 I255 R256H248-D252 HydrophobicContact CB-CB 3.95Å; R249-D252 WeakPolarHBondContact CB-OD2 2.83Å; R249-D252 WeakPolarHBondContact O-CB 3.15Å; R249-D252 PolarHBondContact O-N 2.91Å; A250-D252 VanDerWaalsContact C-N 3.29Å; A250-D252 PolarHBondContact O-N 2.74Å; D252-A254 VanDerWaalsContact C-N 3.27Å; D252-A254 PolarHBondContact O-N 3.16Å; D252-I255 WeakPolarHBondContact O-CG1 3.26Å; D252-I255 PolarHBondContact O-N 3.45Å; D252-R256 VanDerWaalsContact O-CB 3.26Å; D252-R256 WeakPolarHBondContact O-CB 3.31Å; D252-R256 PolarHBondContact O-N 3.35Å
253R86.4Confident80.6Confident0 Ų071.7 Ų71.70%033%0.326CS..Hα-helixtrans-56-43175.4-76.9-159.4-49.8-80.96.9112L159 L161 E187 H248 R249 A250 I255 R256 W258L159-R253 WeakPolarHBondContact O-CD 3.44Å; L159-R253 PolarHBondContact O-NE 2.76Å; L161-R253 PolarHBondContact O-NH2 3.46Å; E187-R253 VanDerWaalsContact CD-NH1 3.32Å; E187-R253 IonicContact OE1-CZ 3.97Å; E187-R253 IonicContact OE1-NH1 3.37Å; E187-R253 PolarHBondContact OE1-NH1 2.79Å; E187-R253 IonicContact OE1-NH2 2.95Å; E187-R253 PolarHBondContact OE1-NH2 2.88Å; E187-R253 IonicContact OE2-CZ 2.69Å; E187-R253 IonicContact OE2-NH1 3.69Å; E187-R253 PolarHBondContact OE2-NH1 3.17Å; E187-R253 IonicContact OE2-NH2 3.71Å; E187-R253 PolarHBondContact OE2-NH2 2.74Å; H248-R253 HydrophobicContact CB-CG 3.87Å; H248-R253 PolarHBondContact O-NH1 3.36Å; R249-R253 PolarHBondContact O-N 2.8Å; A250-R253 PolarHBondContact O-N 2.88Å; R253-I255 PolarHBondContact O-N 3.49Å; R253-R256 WeakPolarHBondContact O-CB 3.32Å; R253-R256 PolarHBondContact O-N 2.78Å; R253-W258 HydrophobicContact CB-CZ2 3.85Å; R253-W258 HydrophobicContact CG-CH2 4.02Å; R253-W258 HydrophobicContact CG-CZ2 3.86Å; R253-W258 PolarHBondContact O-NE1 3.36Å
254A82.5Confident78.8Confident2 Ų277.4 Ų77.42%0.01736%0.361CS..Hα-helixtrans-70.9-28.4-174.700000113.2S62 N64 R160 A250 D252S62-A254 WeakPolarHBondContact CB-O 3.39Å; S62-A254 PolarHBondContact OG-O 3.34Å; N64-A254 VanDerWaalsContact ND2-CB 3.31Å; N64-A254 WeakPolarHBondContact ND2-CB 3.04Å; N64-A254 PolarHBondContact ND2-O 3.22Å; N64-A254 WeakPolarHBondContact OD1-CB 3.33Å; R160-A254 HydrophobicContact CB-CB 4.36Å; A250-A254 WeakPolarHBondContact O-CB 3.25Å; A250-A254 PolarHBondContact O-N 3.39Å; D252-A254 VanDerWaalsContact C-N 3.27Å; D252-A254 PolarHBondContact O-N 3.16Å
255I82.2Confident76.6Confident105 Ų10578.6 Ų78.654%0.53838%0.379SS..Hα-helixtrans-91.5-9.117160.9177.7000113.6N64 I251 D252 R253N64-I255 WeakPolarHBondContact ND2-CG2 3.42Å; N64-I255 PolarHBondContact ND2-N 3.4Å; I251-I255 PolarHBondContact O-N 2.76Å; D252-I255 WeakPolarHBondContact O-CG1 3.26Å; D252-I255 PolarHBondContact O-N 3.45Å; R253-I255 PolarHBondContact O-N 3.49Å
256R77.7Confident74.4Confident87 Ų8785.6 Ų85.633%0.32840%0.404SS..  trans-72.9138.7-173.2-168.2170-170.2-153.62.2111.3H248 D252 R253 W258H248-R256 PolarHBondContact CD2-NH1 3.18Å; H248-R256 VanDerWaalsContact NE2-CZ 3.28Å; H248-R256 PolarHBondContact NE2-NH1 2.81Å; D252-R256 VanDerWaalsContact O-CB 3.26Å; D252-R256 WeakPolarHBondContact O-CB 3.31Å; D252-R256 PolarHBondContact O-N 3.35Å; R253-R256 WeakPolarHBondContact O-CB 3.32Å; R253-R256 PolarHBondContact O-N 2.78Å; R256-W258 PolarHBondContact O-N 2.79Å
257K81.2Confident72.2Confident178 Ų17888.4 Ų88.477%0.77442%0.417SS*.  trans-77.7110.2161.7-65.4-173.6179.2-174.30108.2
258W77.6Confident69.9Low50 Ų5096 Ų9619%0.18945%0.445CS..  trans-70.4133.8176.1-66.387.5000109.2L159 H245 R253 R256L159-W258 HydrophobicContact CB-CH2 4Å; L159-W258 HydrophobicContact CB-CZ2 3.71Å; L159-W258 HydrophobicContact CD1-CD2 4.27Å; L159-W258 HydrophobicContact CD1-CE3 4.1Å; L159-W258 HydrophobicContact CD1-CZ3 4.24Å; H245-W258 HydrophobicContact CB-CZ3 4.11Å; H245-W258 VanDerWaalsContact O-CH2 3.25Å; H245-W258 WeakPolarHBondContact O-CH2 3.47Å; H245-W258 VanDerWaalsContact O-CZ3 3.31Å; H245-W258 WeakPolarHBondContact O-CZ3 3.42Å; R253-W258 HydrophobicContact CB-CZ2 3.85Å; R253-W258 HydrophobicContact CG-CH2 4.02Å; R253-W258 HydrophobicContact CG-CZ2 3.86Å; R253-W258 PolarHBondContact O-NE1 3.36Å; R256-W258 PolarHBondContact O-N 2.79Å
259R77.6Confident67.7Low209 Ų209100.9 Ų100.979%0.78947%0.473SS*.  trans-127.5138.9174.8-67-176.9178.4174.7-2.3106.6I261R259-I261 PolarHBondContact O-N 2.95Å
260Y75.9Confident65.4Low171 Ų171100.3 Ų100.367%0.67148%0.476SS*.  trans-62.5127167.9179.9-107.9000108.5P262 E267Y260-P262 HydrophobicContact CE1-CB 4.15Å; Y260-E267 PolarHBondContact OH-OE1 2.96Å; Y260-E267 PolarHBondContact OH-OE2 2.86Å
261I69.4Low62.5Low96 Ų96106.9 Ų106.949%0.49251%0.51SS..  trans-121.9113.1173.2-59.8171.5000104.3R259 T263R259-I261 PolarHBondContact O-N 2.95Å; I261-T263 PolarHBondContact O-N 3.29Å
262P63.9Low60.1Low71 Ų71108.7 Ų108.746%0.46154%0.536SS..  trans-62.1127.917724.9-31.9000108.9Y260 E267Y260-P262 HydrophobicContact CE1-CB 4.15Å; P262-E267 WeakPolarHBondContact CA-OE2 3.3Å; P262-E267 WeakPolarHBondContact CB-OE2 3.41Å
263T57.4Low57.4Low53 Ų53113.3 Ų113.333%0.32556%0.56SS.*  trans-101.498-175.624.10000109.4I261 E267I261-T263 PolarHBondContact O-N 3.29Å; T263-E267 PolarHBondContact N-OE2 2.78Å
264T49.5Very low54.8Low120 Ų120115.8 Ų115.874%0.73658%0.575SS**SBendtrans66.2158.716766.20000116.4Y266 E267T264-Y266 PolarHBondContact O-N 3.2Å; T264-E267 PolarHBondContact O-N 2.9Å
265A40.7Very low52.4Low78 Ų78122.6 Ų122.665%0.64562%0.616SS**THydrogen-bonded Turntrans-57.5-4.7-157.100000118
266Y40.5Very low50.1Low209 Ų209122.9 Ų122.982%0.8262%0.616SS**THydrogen-bonded Turntrans-70.4-30.1175.3-93.1-89.1000113.4T264T264-Y266 PolarHBondContact O-N 3.2Å
267E42.2Very low48Very low60 Ų60121.7 Ų121.728%0.2862%0.624SS.*SBendtrans-81.7-16.1178.9-71.5177.9141.200113.4Y260 P262 T263 T264Y260-E267 PolarHBondContact OH-OE1 2.96Å; Y260-E267 PolarHBondContact OH-OE2 2.86Å; P262-E267 WeakPolarHBondContact CA-OE2 3.3Å; P262-E267 WeakPolarHBondContact CB-OE2 3.41Å; T263-E267 PolarHBondContact N-OE2 2.78Å; T264-E267 PolarHBondContact O-N 2.9Å
268Y38.5Very low45.7Very low200 Ų200117.7 Ų117.778%0.78461%0.611SS**SBendtrans-80.7-17.8-176.1-125.5-86.9000113.9
269N37Very low43.6Very low152 Ų152120.8 Ų120.881%0.81363%0.626SS**SBendtrans-108.62.1179.7-75.4-23.8000113.6
270Q36Very low41.3Very low130 Ų130114.6 Ų114.661%0.60762%0.615SS**SBendtrans-121.283.5176.6-70.2-118.82000108.5A272Q270-A272 PolarHBondContact O-N 3.33Å
271N26.3Very low39.2Very low144 Ų144111.6 Ų111.677%0.7761%0.611SS**  trans-44.3122.8174-69.7-38.8000111.6L273N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 2.78Å
272A34.1Very low37.4Very low109 Ų109110.1 Ų110.190%0.90161%0.606SS**SBendtrans62.96.5141.400000120.2Q270Q270-A272 PolarHBondContact O-N 3.33Å
273L28.1Very low35.9Very low156 Ų156113.4 Ų113.482%0.81762%0.619SS**  trans-134.220.2-170.4-98.8159.1000116.3N271N271-L273 VanDerWaalsContact C-N 3.29Å; N271-L273 PolarHBondContact O-N 2.78Å
274T32.3Very low34.5Very low51 Ų51112.6 Ų112.631%0.31361%0.612SS.*  trans-144.271.4173.150.10000111.1E276T274-E276 HydrophobicContact CG2-CG 3.76Å; T274-E276 WeakPolarHBondContact CG2-OE1 3.13Å; T274-E276 PolarHBondContact O-N 2.89Å
275T32Very low33.5Very low145 Ų145112.9 Ų112.989%0.8961%0.609SS**  trans-57.870.213327.60000107.6A277T275-A277 WeakPolarHBondContact O-CB 3.05Å
276E34.3Very low33Very low112 Ų112119.9 Ų119.952%0.52362%0.621SS.*  trans-90.299.4163-79.6-177.6-161.300103.9T274 N278T274-E276 HydrophobicContact CG2-CG 3.76Å; T274-E276 WeakPolarHBondContact CG2-OE1 3.13Å; T274-E276 PolarHBondContact O-N 2.89Å; E276-N278 VanDerWaalsContact CA-N 3.3Å; E276-N278 PolarHBondContact O-N 3.12Å; E276-N278 PolarHBondContact OE2-ND2 2.87Å; E276-N278 PolarHBondContact OE2-OD1 3.32Å
277A33.8Very low32.5Very low62 Ų62114.8 Ų114.851%0.51261%0.611SS.*  cis31.641.839.200000109.9T275 F279T275-A277 WeakPolarHBondContact O-CB 3.05Å; A277-F279 HydrophobicContact CB-CD2 3.42Å; A277-F279 VanDerWaalsContact CB-CD2 3.42Å; A277-F279 HydrophobicContact CB-CE2 3.5Å; A277-F279 VanDerWaalsContact CB-CE2 3.5Å; A277-F279 PolarHBondContact O-N 2.78Å
278N32.5Very low32Very low94 Ų94119.6 Ų119.650%0.50364%0.637SS.*  trans-65.170148.2-93.5-47.5000105.6E276 S280E276-N278 VanDerWaalsContact CA-N 3.3Å; E276-N278 PolarHBondContact O-N 3.12Å; E276-N278 PolarHBondContact OE2-ND2 2.87Å; E276-N278 PolarHBondContact OE2-OD1 3.32Å; N278-S280 PolarHBondContact O-N 2.72Å
279F32.9Very low31.5Very low114 Ų114117.1 Ų117.150%0.564%0.637SS.*  trans-58.758.2145-72-74.5000107I152 A277 N281 V282I152-F279 HydrophobicContact CD1-CE1 4.35Å; I152-F279 HydrophobicContact CD1-CZ 4.16Å; I152-F279 HydrophobicContact CG1-CE1 4.47Å; I152-F279 HydrophobicContact CG1-CZ 4.26Å; I152-F279 HydrophobicContact CG2-CZ 4.41Å; A277-F279 HydrophobicContact CB-CD2 3.42Å; A277-F279 VanDerWaalsContact CB-CD2 3.42Å; A277-F279 HydrophobicContact CB-CE2 3.5Å; A277-F279 VanDerWaalsContact CB-CE2 3.5Å; A277-F279 PolarHBondContact O-N 2.78Å; F279-N281 VanDerWaalsContact C-N 3.25Å; F279-N281 PolarHBondContact O-N 3.4Å; F279-N281 VanDerWaalsContact O-N 3.12Å; F279-V282 HydrophobicContact CD1-CB 4.17Å; F279-V282 HydrophobicContact CD1-CG2 3.67Å; F279-V282 HydrophobicContact CE1-CG2 4.04Å
280S29.4Very low31.3Very low79 Ų79122.6 Ų122.655%0.55265%0.654SS**SBendtrans-77.992.5157.459.20000104.8N278N278-S280 PolarHBondContact O-N 2.72Å
281N31.7Very low31Very low108 Ų108122.2 Ų122.258%0.57866%0.656SS**  trans88.746.3170.6-45.7-24.3000118F279 L283F279-N281 VanDerWaalsContact C-N 3.25Å; F279-N281 PolarHBondContact O-N 3.4Å; F279-N281 VanDerWaalsContact O-N 3.12Å; N281-L283 HydrophobicContact CB-CB 4.48Å; N281-L283 HydrophobicContact CB-CD1 4.28Å; N281-L283 PolarHBondContact O-N 3.33Å
282V33.5Very low31.3Very low65 Ų65121.1 Ų121.139%0.39465%0.65SS.*  -72.674.2129.8178.40000105.2F279 I284F279-V282 HydrophobicContact CD1-CB 4.17Å; F279-V282 HydrophobicContact CD1-CG2 3.67Å; F279-V282 HydrophobicContact CE1-CG2 4.04Å; V282-I284 HydrophobicContact CG1-CB 3.77Å; V282-I284 HydrophobicContact CG1-CD1 3.51Å; V282-I284 HydrophobicContact CG1-CG1 3.5Å; V282-I284 VanDerWaalsContact CG1-CG1 3.5Å; V282-I284 PolarHBondContact O-N 2.9Å
283L30.5Very low31.1Very low140 Ų140121.7 Ų121.773%0.73364%0.636SS**  trans-69.769.3161.3-107.9159.5000105.4N281N281-L283 HydrophobicContact CB-CB 4.48Å; N281-L283 HydrophobicContact CB-CD1 4.28Å; N281-L283 PolarHBondContact O-N 3.33Å
284I29.2Very low31.3Very low37 Ų37119.7 Ų119.719%0.1963%0.625CS.*  trans-114.8107.9162.2-59.8178.8000101.9N148 V282N148-I284 VanDerWaalsContact ND2-CD1 3.31Å; N148-I284 WeakPolarHBondContact ND2-CD1 3.12Å; V282-I284 HydrophobicContact CG1-CB 3.77Å; V282-I284 HydrophobicContact CG1-CD1 3.51Å; V282-I284 HydrophobicContact CG1-CG1 3.5Å; V282-I284 VanDerWaalsContact CG1-CG1 3.5Å; V282-I284 PolarHBondContact O-N 2.9Å
285D28.3Very low31.2Very low125 Ų125124 Ų12467%0.66865%0.645SS**SBendtrans107.1101.6175.3-52.3-23.6000115.1V287D285-V287 VanDerWaalsContact C-N 3.3Å; D285-V287 PolarHBondContact O-N 3.18Å
286Y29.8Very low31.2Very low226 Ų226122.6 Ų122.689%0.88663%0.629SS**  trans-47.483.5156.8-84.9-104.5000111.5
287V30.6Very low31Very low101 Ų101123.4 Ų123.461%0.61264%0.636SS**  trans-149.889.9160.6-170.80000109.5D285 N289D285-V287 VanDerWaalsContact C-N 3.3Å; D285-V287 PolarHBondContact O-N 3.18Å; V287-N289 HydrophobicContact CG1-CB 3.94Å; V287-N289 PolarHBondContact O-N 2.88Å
288I31Very low30.7Very low162 Ų162128.1 Ų128.183%0.83165%0.646SS**  trans-75.7102.9151-65.1173.3000105.1
289N28.4Very low30.6Very low148 Ų148130.9 Ų130.979%0.79166%0.658SS**  trans-9878.2165.3-108.7-6.9000108.4V287V287-N289 HydrophobicContact CG1-CB 3.94Å; V287-N289 PolarHBondContact O-N 2.88Å
290K31.7Very low30.4Very low266 Ų266132.5 Ų132.5100%1.15767%0.672SS**  trans159.40141.7-93.9-173.9175.9-177.60110.4

Retrieved 290 of 290 residues in 278 ms (Link to these results)