A0A087Y7R9_POEFO Loading...

Synaptotagmin XII

AlphaFold DB , UniProt , Accession A0A087Y7R9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 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
1M38.4Very low36.4Very low246 Ų246137.8 Ų137.8100%1.21282%0.821SS**  01230-61.3160.971.800107
2S36.3Very low36.2Very low119 Ų119145.9 Ų145.983%0.83283%0.829SS**  cis-148.2136.6-27.3-170.70000104.6
3S30.8Very low36.1Very low112 Ų112154 Ų15478%0.78384%0.838SS**  trans-73.2150.4178.352.50000111
4A40.8Very low36.6Very low92 Ų92155.8 Ų155.876%0.7685%0.845SS**  trans-85.8145.7152.100000108
5E36.2Very low36.7Very low198 Ų198153.2 Ų153.293%0.92584%0.844SS**  trans-163.6160.2142.6-115.9165.4-173.700110.4
6S32.7Very low36.7Very low99 Ų99148 Ų14869%0.69284%0.836SS**  trans-114.1148.1-159.349.20000113.2
7E42.4Very low36.9Very low174 Ų174147.9 Ų147.981%0.81383%0.833SS**  trans54127.3157.3-62.2-170.6125.200119.7
8D32Very low37.5Very low153 Ų153146.2 Ų146.282%0.81883%0.829SS**  -148.5139127.6-146.3-21.5000111.5
9L42.5Very low38.2Very low154 Ų154145.5 Ų145.581%0.80683%0.828SS**  trans-120.976.5-166.9-113.4165.6000110.4
10S34.6Very low39Very low107 Ų107144.6 Ų144.675%0.74883%0.825SS**  trans-143.665.5-177.252.20000113.7
11G34.2Very low39.8Very low62 Ų62146.2 Ų146.264%0.63983%0.825SS**  trans-131.713.5-165.700000119.2
12Y33.8Very low40.9Very low235 Ų235141.4 Ų141.492%0.92281%0.805SS**  trans-135.277.8179.4-65.3-73.6000113.1
13R35.1Very low42.1Very low251 Ų251138.9 Ų138.995%0.94779%0.785SS**  trans-91.3135.2162-99.3-173.71771751.2110.4
14L42.3Very low44.2Very low179 Ų179136.5 Ų136.594%0.93777%0.767SS**  trans-60.8128.5-178.2-63.8137.9000111.9
15S38.7Very low45.5Very low117 Ų117135.1 Ų135.182%0.81876%0.762SS**  trans-90.3108.9158.7-173.70000108
16G36.8Very low47.3Very low70 Ų70133.8 Ų133.872%0.72275%0.748SS**  trans-97.5113.1177.700000111.4
17D40.1Very low49.1Very low146 Ų146131.8 Ų131.878%0.78173%0.728SS**PPolyproline II helixtrans-75.4138.3164.4-73.9-40.2000110.1V19D17-V19 PolarHBondContact O-N 3.31Å
18P48.1Very low50.6Low117 Ų117126.8 Ų126.876%0.7671%0.709SS**PPolyproline II helixtrans-75.3121.3-178.329.3-33.3000111.5V20P18-V20 PolarHBondContact O-N 3.43Å
19V50.7Low52.6Low134 Ų134121.2 Ų121.281%0.81269%0.688SS**PPolyproline II helixtrans-61.2121.2172.4177.20000109.9D17 Q21D17-V19 PolarHBondContact O-N 3.31Å; V19-Q21 PolarHBondContact O-N 3.05Å; V19-Q21 VanDerWaalsContact O-N 3.11Å
20V52.8Low54.4Low126 Ų126118.8 Ų118.876%0.76467%0.674SS**  trans-61112.2-179.6177.70000110.1P18P18-V20 PolarHBondContact O-N 3.43Å
21Q57.8Low56.5Low179 Ų179121.1 Ų121.184%0.83667%0.668SS**  trans-95.1-4.2-166-129.5178.615.400115.6V19V19-Q21 PolarHBondContact O-N 3.05Å; V19-Q21 VanDerWaalsContact O-N 3.11Å
22N60.2Low58.8Low146 Ų146123.4 Ų123.478%0.78166%0.663SS**  trans-153.3107.9173.8-80.1-62.2000110.7
23P62.7Low61.2Low65 Ų65116.7 Ų116.742%0.42265%0.647SS.*  trans-72.5144.5174.929.1-33.4000111.4E27 V28P23-E27 HydrophobicContact CB-CB 4.47Å; P23-E27 WeakPolarHBondContact CB-OE2 3.42Å; P23-V28 HydrophobicContact CG-CG2 4.1Å
24P74.6Confident63.5Low63 Ų63106.3 Ų106.341%0.40962%0.618SS.*  trans-63.1143.9177.827-35.7000111.8W26 E27P24-W26 HydrophobicContact CG-CZ2 4.39Å; P24-W26 PolarHBondContact O-N 3.04Å; P24-E27 WeakPolarHBondContact CD-OE2 3.21Å; P24-E27 HydrophobicContact CG-CG 4.07Å; P24-E27 WeakPolarHBondContact O-CB 3.15Å; P24-E27 PolarHBondContact O-N 3.27Å
25G67.7Low65.5Low62 Ų62103.8 Ų103.864%0.63960%0.6SS**Hα-helixtrans-59.5-17.9-167.600000116.7G29G25-G29 PolarHBondContact O-N 2.91Å; G25-G29 VanDerWaalsContact O-N 3.09Å
26W73.3Confident67.7Low170 Ų170103.4 Ų103.464%0.64459%0.588SS**Hα-helixtrans-72.1-33.8173.167.6-93.1000112.4P24 G29 I30P24-W26 HydrophobicContact CG-CZ2 4.39Å; P24-W26 PolarHBondContact O-N 3.04Å; W26-G29 PolarHBondContact O-N 2.94Å; W26-I30 HydrophobicContact CE3-CD1 3.58Å; W26-I30 HydrophobicContact CZ3-CD1 3.58Å; W26-I30 WeakPolarHBondContact O-CG1 3.27Å; W26-I30 PolarHBondContact O-N 3.36Å
27E70.6Confident70.1Confident58 Ų58104.9 Ų104.927%0.27158%0.582SS.*Hα-helixtrans-67.5-42.9172.9-67.7-179.2172.300110.6P23 P24 G29 I30 Y31P23-E27 HydrophobicContact CB-CB 4.47Å; P23-E27 WeakPolarHBondContact CB-OE2 3.42Å; P24-E27 WeakPolarHBondContact CD-OE2 3.21Å; P24-E27 HydrophobicContact CG-CG 4.07Å; P24-E27 WeakPolarHBondContact O-CB 3.15Å; P24-E27 PolarHBondContact O-N 3.27Å; E27-G29 PolarHBondContact O-N 2.95Å; E27-I30 WeakPolarHBondContact O-CA 3.3Å; E27-I30 WeakPolarHBondContact O-CB 3.4Å; E27-I30 PolarHBondContact O-N 3.4Å; E27-Y31 HydrophobicContact CB-CD2 4.39Å; E27-Y31 HydrophobicContact CB-CE2 4.01Å; E27-Y31 WeakPolarHBondContact O-CD2 3.28Å; E27-Y31 PolarHBondContact O-N 3.3Å
28V74.3Confident72.1Confident68 Ų68103.8 Ų103.841%0.41258%0.576SS.*Hα-helixtrans-57.2-39.5173.3-176.10000110.9P23 Y31 M32P23-V28 HydrophobicContact CG-CG2 4.1Å; V28-Y31 PolarHBondContact O-N 3.37Å; V28-M32 HydrophobicContact CG1-CG 4.47Å; V28-M32 WeakPolarHBondContact O-CB 3.46Å; V28-M32 VanDerWaalsContact O-CG 3.28Å; V28-M32 WeakPolarHBondContact O-CG 3.45Å; V28-M32 PolarHBondContact O-N 3.28Å
29G74.7Confident73.9Confident36 Ų36102.8 Ų102.837%0.37156%0.563SS.*Hα-helixtrans-59.8-45.7171.800000113.2G25 W26 E27 M32 V33G25-G29 PolarHBondContact O-N 2.91Å; G25-G29 VanDerWaalsContact O-N 3.09Å; W26-G29 PolarHBondContact O-N 2.94Å; E27-G29 PolarHBondContact O-N 2.95Å; G29-M32 PolarHBondContact O-N 3.49Å; G29-V33 WeakPolarHBondContact O-CG2 3.44Å; G29-V33 PolarHBondContact O-N 3.43Å
30I80.3Confident75.5Confident103 Ų10398.2 Ų98.253%0.52854%0.543SS..Hα-helixtrans-62.5-44.9176.6-68.1169.9000111.2W26 E27 V33 G34W26-I30 HydrophobicContact CE3-CD1 3.58Å; W26-I30 HydrophobicContact CZ3-CD1 3.58Å; W26-I30 WeakPolarHBondContact O-CG1 3.27Å; W26-I30 PolarHBondContact O-N 3.36Å; E27-I30 WeakPolarHBondContact O-CA 3.3Å; E27-I30 WeakPolarHBondContact O-CB 3.4Å; E27-I30 PolarHBondContact O-N 3.4Å; I30-V33 PolarHBondContact O-N 3.24Å; I30-G34 PolarHBondContact O-N 3.11Å
31Y77.4Confident76.7Confident157 Ų15794.5 Ų94.562%0.61653%0.526SS*.Hα-helixtrans-64.6-40.4178.1-66.3-55.9000112.3E27 V28 G34 F35E27-Y31 HydrophobicContact CB-CD2 4.39Å; E27-Y31 HydrophobicContact CB-CE2 4.01Å; E27-Y31 WeakPolarHBondContact O-CD2 3.28Å; E27-Y31 PolarHBondContact O-N 3.3Å; V28-Y31 PolarHBondContact O-N 3.37Å; Y31-G34 PolarHBondContact O-N 2.58Å; Y31-F35 VanDerWaalsContact O-CB 3.29Å; Y31-F35 WeakPolarHBondContact O-CB 3.29Å; Y31-F35 PolarHBondContact O-N 2.86Å
32M82.9Confident77.7Confident109 Ų10988.1 Ų88.154%0.53750%0.504SS..Hα-helixtrans-65.2-41.3175.8-74.4-67.1-71.100112.4V28 G29 F35 L36V28-M32 HydrophobicContact CG1-CG 4.47Å; V28-M32 WeakPolarHBondContact O-CB 3.46Å; V28-M32 VanDerWaalsContact O-CG 3.28Å; V28-M32 WeakPolarHBondContact O-CG 3.45Å; V28-M32 PolarHBondContact O-N 3.28Å; G29-M32 PolarHBondContact O-N 3.49Å; M32-F35 PolarHBondContact O-N 3.31Å; M32-L36 WeakPolarHBondContact O-CG 3.45Å; M32-L36 PolarHBondContact O-N 2.98Å
33V85.3Confident78.7Confident94 Ų9482.9 Ų82.957%0.5749%0.485SS*.Hα-helixtrans-65-45.8174.8171.20000110.9G29 I30 F35 L36 V37G29-V33 WeakPolarHBondContact O-CG2 3.44Å; G29-V33 PolarHBondContact O-N 3.43Å; I30-V33 PolarHBondContact O-N 3.24Å; V33-F35 VanDerWaalsContact C-N 3.35Å; V33-F35 PolarHBondContact O-N 3.26Å; V33-L36 PolarHBondContact O-N 2.77Å; V33-V37 WeakPolarHBondContact O-CG2 3.47Å; V33-V37 PolarHBondContact O-N 2.65Å
34G82.4Confident79.4Confident33 Ų3385.4 Ų85.434%0.3449%0.494SS..Hα-helixtrans-59.9-42.7176.200000112.8I30 Y31 V37 L38I30-G34 PolarHBondContact O-N 3.11Å; Y31-G34 PolarHBondContact O-N 2.58Å; G34-V37 PolarHBondContact O-N 3.29Å; G34-L38 WeakPolarHBondContact O-CG 3.5Å; G34-L38 PolarHBondContact O-N 2.8Å
35F83.9Confident79.1Confident127 Ų12787.4 Ų87.456%0.55750%0.501SS*.Hα-helixtrans-62.1-45.7176.3-177.1-107.9000112.1Y31 M32 V33 V37 L38 L39Y31-F35 VanDerWaalsContact O-CB 3.29Å; Y31-F35 WeakPolarHBondContact O-CB 3.29Å; Y31-F35 PolarHBondContact O-N 2.86Å; M32-F35 PolarHBondContact O-N 3.31Å; V33-F35 VanDerWaalsContact C-N 3.35Å; V33-F35 PolarHBondContact O-N 3.26Å; F35-V37 PolarHBondContact O-N 3.12Å; F35-L38 PolarHBondContact O-N 3.19Å; F35-L39 HydrophobicContact CD1-CD1 4.25Å; F35-L39 HydrophobicContact CE1-CD1 3.59Å; F35-L39 HydrophobicContact CZ-CD1 3.87Å; F35-L39 WeakPolarHBondContact O-CB 3.29Å; F35-L39 PolarHBondContact O-N 3.47Å
36L85.4Confident79.5Confident109 Ų10989.9 Ų89.957%0.57150%0.499SS*.Hα-helixtrans-64.4-37.9177.8-72.3170.6000112.8M32 V33 L39 G40M32-L36 WeakPolarHBondContact O-CG 3.45Å; M32-L36 PolarHBondContact O-N 2.98Å; V33-L36 PolarHBondContact O-N 2.77Å; L36-L39 PolarHBondContact O-N 2.75Å; L36-G40 PolarHBondContact O-N 2.78Å
37V87.4Confident79.4Confident100 Ų10089.1 Ų89.161%0.60650%0.496SS*.Hα-helixtrans-64.5-43.7174.4170.90000111.2V33 G34 F35 G40 A41V33-V37 WeakPolarHBondContact O-CG2 3.47Å; V33-V37 PolarHBondContact O-N 2.65Å; G34-V37 PolarHBondContact O-N 3.29Å; F35-V37 PolarHBondContact O-N 3.12Å; V37-G40 PolarHBondContact O-N 3.37Å; V37-A41 PolarHBondContact O-N 3.42Å
38L82.3Confident79Confident124 Ų12493.3 Ų93.365%0.64951%0.513SS*.Hα-helixtrans-64.5-39.6175.7-72171.1000112.2G34 F35 A41 A42G34-L38 WeakPolarHBondContact O-CG 3.5Å; G34-L38 PolarHBondContact O-N 2.8Å; F35-L38 PolarHBondContact O-N 3.19Å; L38-A41 PolarHBondContact O-N 2.89Å; L38-A42 WeakPolarHBondContact O-CB 3.5Å; L38-A42 PolarHBondContact O-N 2.87Å
39L85.3Confident78.4Confident95 Ų9593.2 Ų93.250%0.49751%0.51SS..Hα-helixtrans-63.8-41.6175.7-123.9168.1000111.8F35 L36 A42 G43F35-L39 HydrophobicContact CD1-CD1 4.25Å; F35-L39 HydrophobicContact CE1-CD1 3.59Å; F35-L39 HydrophobicContact CZ-CD1 3.87Å; F35-L39 WeakPolarHBondContact O-CB 3.29Å; F35-L39 PolarHBondContact O-N 3.47Å; L36-L39 PolarHBondContact O-N 2.75Å; L39-A42 PolarHBondContact O-N 2.83Å; L39-G43 PolarHBondContact O-N 3.49Å
40G83.6Confident77.9Confident38 Ų38102.4 Ų102.439%0.39253%0.534SS..Hα-helixtrans-62.7-44.1173.800000112.8L36 V37 G43 L44L36-G40 PolarHBondContact O-N 2.78Å; V37-G40 PolarHBondContact O-N 3.37Å; G40-G43 PolarHBondContact O-N 2.83Å; G40-L44 WeakPolarHBondContact O-CB 3.47Å; G40-L44 PolarHBondContact O-N 3.08Å
41A79.6Confident77Confident49 Ų49105.1 Ų105.141%0.40554%0.541SS..Hα-helixtrans-65.4-39.4176.300000112.6V37 L38 N45V37-A41 PolarHBondContact O-N 3.42Å; L38-A41 PolarHBondContact O-N 2.89Å; A41-N45 PolarHBondContact O-N 2.8Å; A41-N45 PolarHBondContact O-ND2 3.16Å
42A77.4Confident76.1Confident44 Ų44100.5 Ų100.536%0.36453%0.532SS..Hα-helixtrans-65-46.9174.200000111.5L38 L39 L44 N45 I46L38-A42 WeakPolarHBondContact O-CB 3.5Å; L38-A42 PolarHBondContact O-N 2.87Å; L39-A42 PolarHBondContact O-N 2.83Å; A42-L44 PolarHBondContact O-N 3.48Å; A42-N45 PolarHBondContact O-N 2.8Å; A42-I46 VanDerWaalsContact O-CG1 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.37Å; A42-I46 PolarHBondContact O-N 3.23Å
43G81.1Confident74.7Confident37 Ų3798.7 Ų98.738%0.38154%0.542SS..Hα-helixtrans-59.8-42.6176.700000113L39 G40 I46 W47L39-G43 PolarHBondContact O-N 3.49Å; G40-G43 PolarHBondContact O-N 2.83Å; G43-I46 PolarHBondContact O-N 3.21Å; G43-W47 WeakPolarHBondContact O-CB 3.27Å; G43-W47 PolarHBondContact O-N 2.77Å
44L77.9Confident73.2Confident117 Ų11798.9 Ų98.961%0.61354%0.543SS*.Hα-helixtrans-63.5-42.2173.8-82.2166.2000112.5G40 A42 K48G40-L44 WeakPolarHBondContact O-CB 3.47Å; G40-L44 PolarHBondContact O-N 3.08Å; A42-L44 PolarHBondContact O-N 3.48Å; L44-K48 VanDerWaalsContact O-CB 3.27Å; L44-K48 WeakPolarHBondContact O-CB 3.38Å; L44-K48 PolarHBondContact O-N 2.81Å
45N69.2Low71.4Confident106 Ų106105.9 Ų105.957%0.56757%0.565SS**Hα-helixtrans-63.8-43.7175.1-88.8-41.3000112A41 A42 K48 L49A41-N45 PolarHBondContact O-N 2.8Å; A41-N45 PolarHBondContact O-ND2 3.16Å; A42-N45 PolarHBondContact O-N 2.8Å; N45-K48 PolarHBondContact O-N 2.9Å; N45-L49 WeakPolarHBondContact O-CB 3.36Å; N45-L49 PolarHBondContact O-N 3.31Å
46I74.1Confident69.5Low114 Ų114104.7 Ų104.759%0.58557%0.57SS**Hα-helixtrans-64.6-43.3178.2-66.7162.2000111.1A42 G43 K48 L49 W50A42-I46 VanDerWaalsContact O-CG1 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.37Å; A42-I46 PolarHBondContact O-N 3.23Å; G43-I46 PolarHBondContact O-N 3.21Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.46Å; I46-L49 WeakPolarHBondContact O-CB 3.43Å; I46-L49 PolarHBondContact O-N 3.09Å; I46-W50 WeakPolarHBondContact O-CB 3.36Å; I46-W50 PolarHBondContact O-N 2.92Å
47W72.3Confident67.3Low154 Ų154103.7 Ų103.758%0.58358%0.577SS**Hα-helixtrans-62.3-40.3175.3-177.975.5000112.1G43 W50 K51G43-W47 WeakPolarHBondContact O-CB 3.27Å; G43-W47 PolarHBondContact O-N 2.77Å; W47-W50 PolarHBondContact O-N 2.83Å; W47-K51 HydrophobicContact CH2-CD 4.47Å; W47-K51 HydrophobicContact CZ2-CD 4.31Å; W47-K51 WeakPolarHBondContact O-CB 3.13Å; W47-K51 PolarHBondContact O-N 2.85Å; W47-K51 VanDerWaalsContact O-N 3.14Å
48K61.8Low65.2Low145 Ų145104.8 Ų104.863%0.6359%0.586SS**Hα-helixtrans-66.1-40.7175.8-156.9173.8-172.9-1790111.4L44 N45 I46 K51 S52L44-K48 VanDerWaalsContact O-CB 3.27Å; L44-K48 WeakPolarHBondContact O-CB 3.38Å; L44-K48 PolarHBondContact O-N 2.81Å; N45-K48 PolarHBondContact O-N 2.9Å; I46-K48 VanDerWaalsContact C-N 3.33Å; I46-K48 PolarHBondContact O-N 3.46Å; K48-K51 PolarHBondContact O-N 2.93Å; K48-S52 WeakPolarHBondContact O-CB 3.31Å; K48-S52 PolarHBondContact O-N 2.77Å; K48-S52 PolarHBondContact O-OG 3.32Å
49L61.4Low63.4Low66 Ų66100.6 Ų100.635%0.34657%0.567SS.*Hα-helixtrans-59.7-47.4174.4-144.586000111.8N45 I46 K51 S52 G53 F55N45-L49 WeakPolarHBondContact O-CB 3.36Å; N45-L49 PolarHBondContact O-N 3.31Å; I46-L49 WeakPolarHBondContact O-CB 3.43Å; I46-L49 PolarHBondContact O-N 3.09Å; L49-K51 PolarHBondContact O-N 2.96Å; L49-S52 PolarHBondContact O-N 2.91Å; L49-G53 PolarHBondContact O-N 3.39Å; L49-G53 VanDerWaalsContact O-N 3.14Å; L49-F55 HydrophobicContact CD2-CD1 4.26Å; L49-F55 HydrophobicContact CD2-CE1 3.76Å; L49-F55 HydrophobicContact CD2-CE2 4.43Å; L49-F55 HydrophobicContact CD2-CZ 3.85Å
50W64.4Low61.4Low230 Ų230101.5 Ų101.587%0.87158%0.579SS**Hα-helixtrans-65.5-29.5-179.3-160.264.4000112.2I46 W47I46-W50 WeakPolarHBondContact O-CB 3.36Å; I46-W50 PolarHBondContact O-N 2.92Å; W47-W50 PolarHBondContact O-N 2.83Å
51K61.1Low59.2Low159 Ų159106.3 Ų106.369%0.69159%0.589SS**Hα-helixtrans-88.1-21178.2-150.5177.9-172.5-176.20114.2W47 K48 L49W47-K51 HydrophobicContact CH2-CD 4.47Å; W47-K51 HydrophobicContact CZ2-CD 4.31Å; W47-K51 WeakPolarHBondContact O-CB 3.13Å; W47-K51 PolarHBondContact O-N 2.85Å; W47-K51 VanDerWaalsContact O-N 3.14Å; K48-K51 PolarHBondContact O-N 2.93Å; L49-K51 PolarHBondContact O-N 2.96Å
52S58.7Low57.5Low60 Ų60110 Ų11042%0.4261%0.609SS.*Hα-helixtrans-101.3-14-177.871.30000115.2K48 L49 T54K48-S52 WeakPolarHBondContact O-CB 3.31Å; K48-S52 PolarHBondContact O-N 2.77Å; K48-S52 PolarHBondContact O-OG 3.32Å; L49-S52 PolarHBondContact O-N 2.91Å; S52-T54 PolarHBondContact O-N 3.19Å; S52-T54 PolarHBondContact O-OG1 2.91Å
53G53Low55.9Low72 Ų72115.6 Ų115.674%0.74263%0.633SS**  trans60.812.7172.700000115.8L49L49-G53 PolarHBondContact O-N 3.39Å; L49-G53 VanDerWaalsContact O-N 3.14Å
54T55Low54.3Low97 Ų97120.2 Ų120.260%0.59564%0.643SS**  trans-140.4126.3-172.437.50000109S52 P56S52-T54 PolarHBondContact O-N 3.19Å; S52-T54 PolarHBondContact O-OG1 2.91Å; T54-P56 VanDerWaalsContact O-CD 3.31Å; T54-P56 WeakPolarHBondContact O-CD 3.5Å
55F44.5Very low52.9Low181 Ų181119.2 Ų119.279%0.79464%0.638SS**  trans-85.9117.9175.6-83.3-98.4000110.2L49L49-F55 HydrophobicContact CD2-CD1 4.26Å; L49-F55 HydrophobicContact CD2-CE1 3.76Å; L49-F55 HydrophobicContact CD2-CE2 4.43Å; L49-F55 HydrophobicContact CD2-CZ 3.85Å
56P44.3Very low51.9Low102 Ų102120.7 Ų120.766%0.66264%0.636SS**  trans-89.3108.4160.133.2-26.7000108.9T54T54-P56 VanDerWaalsContact O-CD 3.31Å; T54-P56 WeakPolarHBondContact O-CD 3.5Å
57A39.3Very low50.9Low87 Ų87124 Ų12472%0.71964%0.642SS**PPolyproline II helixtrans-74123.8154.300000107.1S59A57-S59 PolarHBondContact O-N 3.21Å
58P42.6Very low49.8Very low123 Ų123123.8 Ų123.880%0.79964%0.642SS**PPolyproline II helixtrans-65.8133.9174.227.6-33000109.5
59S45.6Very low49.2Very low37 Ų37120.7 Ų120.726%0.25963%0.632SS.*PPolyproline II helixtrans-65.1140.717554.90000110.7A57 F61A57-S59 PolarHBondContact O-N 3.21Å; S59-F61 PolarHBondContact O-N 3.04Å
60P41.4Very low48.7Very low113 Ų113123.8 Ų123.873%0.73464%0.644SS**SBendtrans-75.415.8-179.232.5-36.6000114
61F38.7Very low48.1Very low139 Ų139121 Ų12161%0.6164%0.641SS**SBendtrans-122.1119.9-172.7-60.9-63.7000110.9S59 N63S59-F61 PolarHBondContact O-N 3.04Å; F61-N63 PolarHBondContact O-N 3.11Å
62P44.5Very low47.3Very low128 Ų128119 Ų11983%0.83163%0.633SS**THydrogen-bonded Turntrans-63.7-6.7-170.3-2634.3000118
63N43.2Very low46.7Very low160 Ų160123.7 Ų123.786%0.85664%0.642SS**THydrogen-bonded Turntrans-130.424.4-167.6-75.2-25000114.4F61F61-N63 PolarHBondContact O-N 3.11Å
64F46.5Very low46.3Very low135 Ų135122.1 Ų122.159%0.59263%0.626SS**  trans-102.199179.9-122.7-91000111.9
65D49.2Very low45.9Very low96 Ų96124 Ų12451%0.51363%0.632SS.*  trans-89.8111.3173.3-165.9-14.8000111.2R67D65-R67 PolarHBondContact O-N 2.98Å; D65-R67 VanDerWaalsContact OD1-CB 3.28Å; D65-R67 WeakPolarHBondContact OD1-CB 3.3Å; D65-R67 VanDerWaalsContact OD1-CG 3.3Å; D65-R67 WeakPolarHBondContact OD1-CG 3.25Å; D65-R67 PolarHBondContact OD1-N 2.88Å
66Y48.5Very low46Very low136 Ų136119.3 Ų119.353%0.53362%0.622SS.*THydrogen-bonded Turntrans-65.8-17.9179.1-74.3-93.2000113.6Y68 L69 Q70Y66-Y68 VanDerWaalsContact C-N 3.33Å; Y66-Y68 PolarHBondContact O-N 3.27Å; Y66-L69 PolarHBondContact O-N 2.71Å; Y66-Q70 PolarHBondContact O-N 3.02Å
67R52.6Low45.8Very low184 Ų184124 Ų12469%0.69463%0.633SS**Hα-helixtrans-62.1-38.2-179-70.4172.1169.1144.5-4.2112.8D65 L69 Q70 E71D65-R67 PolarHBondContact O-N 2.98Å; D65-R67 VanDerWaalsContact OD1-CB 3.28Å; D65-R67 WeakPolarHBondContact OD1-CB 3.3Å; D65-R67 VanDerWaalsContact OD1-CG 3.3Å; D65-R67 WeakPolarHBondContact OD1-CG 3.25Å; D65-R67 PolarHBondContact OD1-N 2.88Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 3.08Å; R67-Q70 PolarHBondContact O-N 3.32Å; R67-Q70 VanDerWaalsContact O-N 3.1Å; R67-E71 WeakPolarHBondContact O-CB 3.29Å; R67-E71 PolarHBondContact O-N 2.8Å
68Y48.6Very low46Very low150 Ų150123.9 Ų123.959%0.58863%0.627SS**Hα-helixtrans-60.3-36.9179-179.4-99.9000112.6Y66 K72Y66-Y68 VanDerWaalsContact C-N 3.33Å; Y66-Y68 PolarHBondContact O-N 3.27Å; Y68-K72 HydrophobicContact CE1-CD 4.14Å; Y68-K72 VanDerWaalsContact O-CB 3.23Å; Y68-K72 WeakPolarHBondContact O-CB 3.21Å; Y68-K72 PolarHBondContact O-N 3.02Å; Y68-K72 VanDerWaalsContact O-N 3.11Å
69L49.1Very low45.8Very low79 Ų79123.9 Ų123.941%0.41462%0.616SS.*Hα-helixtrans-73-37.1175.5-71.6171.3000112Y66 R67 K72 Y73Y66-L69 PolarHBondContact O-N 2.71Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 3.08Å; L69-K72 PolarHBondContact O-N 2.82Å; L69-Y73 HydrophobicContact CD2-CD2 4.08Å; L69-Y73 HydrophobicContact CD2-CE2 3.86Å; L69-Y73 WeakPolarHBondContact O-CB 3.38Å; L69-Y73 WeakPolarHBondContact O-CD2 3.11Å; L69-Y73 PolarHBondContact O-N 3.03Å
70Q52.6Low45.6Very low132 Ų132126.7 Ų126.762%0.61763%0.631SS**Hα-helixtrans-70.1-33.8179.4-165.3167.115.800112.4Y66 R67 G74Y66-Q70 PolarHBondContact O-N 3.02Å; R67-Q70 PolarHBondContact O-N 3.32Å; R67-Q70 VanDerWaalsContact O-N 3.1Å; Q70-G74 WeakPolarHBondContact O-CA 3.43Å; Q70-G74 PolarHBondContact O-N 2.85Å
71E52.1Low45.4Very low170 Ų170131.4 Ų131.479%0.79464%0.635SS**Hα-helixtrans-72.9-37173.9-167.4168.3-138.300111.9R67R67-E71 WeakPolarHBondContact O-CB 3.29Å; R67-E71 PolarHBondContact O-N 2.8Å
72K43Very low45.4Very low119 Ų119132.3 Ų132.352%0.51764%0.641SS.*Hα-helixtrans-78.6-25.8179.8-170.4172.3-179.2179.10114.8Y68 L69Y68-K72 HydrophobicContact CE1-CD 4.14Å; Y68-K72 VanDerWaalsContact O-CB 3.23Å; Y68-K72 WeakPolarHBondContact O-CB 3.21Å; Y68-K72 PolarHBondContact O-N 3.02Å; Y68-K72 VanDerWaalsContact O-N 3.11Å; L69-K72 PolarHBondContact O-N 2.82Å
73Y46.2Very low45.1Very low157 Ų157133.8 Ų133.862%0.61663%0.634SS**SBendtrans-130.631.6-172.2-60.4-76.6000113.8L69 N75L69-Y73 HydrophobicContact CD2-CD2 4.08Å; L69-Y73 HydrophobicContact CD2-CE2 3.86Å; L69-Y73 WeakPolarHBondContact O-CB 3.38Å; L69-Y73 WeakPolarHBondContact O-CD2 3.11Å; L69-Y73 PolarHBondContact O-N 3.03Å; Y73-N75 PolarHBondContact O-N 2.95Å
74G44.6Very low44.9Very low40 Ų40135.9 Ų135.941%0.41263%0.63SS.*  trans-46.6128.4-168.700000116.7Q70 S76Q70-G74 WeakPolarHBondContact O-CA 3.43Å; Q70-G74 PolarHBondContact O-N 2.85Å; G74-S76 PolarHBondContact O-N 2.79Å; G74-S76 PolarHBondContact O-OG 2.81Å
75N45.9Very low44.7Very low135 Ų135134.5 Ų134.572%0.72263%0.632SS**SBendtrans44.44.4160.3-71.90.4000121.9Y73 F77Y73-N75 PolarHBondContact O-N 2.95Å; N75-F77 PolarHBondContact O-N 2.85Å
76S46.6Very low44.3Very low84 Ų84133.2 Ų133.259%0.58764%0.635SS**THydrogen-bonded Turntrans-72.45.1-176.7-63.10000116G74G74-S76 PolarHBondContact O-N 2.79Å; G74-S76 PolarHBondContact O-OG 2.81Å
77F41.9Very low43.8Very low200 Ų200130.5 Ų130.588%0.87764%0.641SS**THydrogen-bonded Turntrans-83.8-14.4-175.1-124.1-90.8000114.9N75N75-F77 PolarHBondContact O-N 2.85Å
78S42.4Very low43.2Very low85 Ų85128.6 Ų128.659%0.59464%0.643SS**THydrogen-bonded Turntrans-87.8-41.1-179.951.90000113.5V80 R81S78-V80 PolarHBondContact O-N 3.44Å; S78-R81 PolarHBondContact O-N 2.83Å
79E38.2Very low42.7Very low122 Ų122127.7 Ų127.757%0.5765%0.648SS**Hα-helixtrans-66.9-32.5-175.1-73.3-161.9116.300114.1R81 Q82 K83E79-R81 PolarHBondContact O-N 3.07Å; E79-Q82 PolarHBondContact O-N 3.08Å; E79-K83 PolarHBondContact O-N 3.18Å
80V41.3Very low42.1Very low97 Ų97132.5 Ų132.559%0.58867%0.668SS**Hα-helixtrans-62.6-27.5-178.7-178.20000111.6S78S78-V80 PolarHBondContact O-N 3.44Å
81R38.5Very low41.4Very low212 Ų212137.7 Ų137.780%0.868%0.682SS**Hα-helixtrans-78.8-29.7179.7-152.7173.2-173.3178.41.7113S78 E79S78-R81 PolarHBondContact O-N 2.83Å; E79-R81 PolarHBondContact O-N 3.07Å
82Q38Very low40.5Very low157 Ų157141 Ų14173%0.73469%0.687SS**Hα-helixtrans-74.8-36.8176.2-90176.8-37.100112.7E79 R84 V85E79-Q82 PolarHBondContact O-N 3.08Å; Q82-R84 PolarHBondContact O-N 2.81Å; Q82-V85 PolarHBondContact O-N 2.9Å
83K38.8Very low39.9Very low160 Ų160142.1 Ų142.170%0.69670%0.704SS**Hα-helixtrans-69.8-24-179.4-78.5178.9177.5166.80114.8E79E79-K83 PolarHBondContact O-N 3.18Å
84R38.4Very low39.1Very low204 Ų204140.7 Ų140.777%0.7772%0.717SS**Hα-helixtrans-76.8-21.5175-77.8-166.5-179.4-167.21.9114.7Q82Q82-R84 PolarHBondContact O-N 2.81Å
85V41.4Very low38.4Very low105 Ų105145.1 Ų145.164%0.63674%0.737SS**Hα-helixtrans-84.2-31.5179.8-177.60000111.7Q82Q82-V85 PolarHBondContact O-N 2.9Å
86A40.7Very low37.6Very low69 Ų69144.8 Ų144.857%0.5774%0.739SS**Hα-helixtrans-70.1-30.7177.800000113.7I88A86-I88 VanDerWaalsContact C-N 3.28Å; A86-I88 PolarHBondContact O-N 3.3Å
87A39.3Very low36.7Very low80 Ų80145.9 Ų145.966%0.66175%0.747SS**THydrogen-bonded Turntrans-71.5-14.9-173.600000115
88I39.7Very low36.1Very low143 Ų143140.8 Ų140.873%0.73374%0.736SS**THydrogen-bonded Turntrans-85.8-18.4-177.3-73.6172.4000112.6A86A86-I88 VanDerWaalsContact C-N 3.28Å; A86-I88 PolarHBondContact O-N 3.3Å
89N37.6Very low35.5Very low132 Ų132148.5 Ų148.571%0.70675%0.752SS**SBendtrans-97.77.6-174.4-74.9-13.4000115.3
90H37.8Very low35.1Very low179 Ų179152.3 Ų152.383%0.82977%0.767SS**SBendtrans-122.744.9-178.3-87.45.9000114.1
91R36.3Very low34.8Very low242 Ų242153.4 Ų153.491%0.91378%0.776SS**  trans-14150.1164.5-130.3175.3-172.1-177.62.3114.7
92R34.7Very low34.6Very low239 Ų239148.6 Ų148.690%0.90278%0.775SS**  trans-141.292.5161.4-85.8-171.5171.2178.6-1.6110.5
93T29.7Very low34.1Very low143 Ų143149.8 Ų149.888%0.87779%0.785SS**  trans177.790.6150.736.80000111.2
94S30Very low33.9Very low126 Ų126146.6 Ų146.688%0.88179%0.789SS**  trans173.3126.8136.1500000111.3
95T29Very low33.6Very low134 Ų134145.7 Ų145.782%0.82280%0.799SS**  trans-96.7164.8171.352.40000108.8
96T29.2Very low33.4Very low127 Ų127143.6 Ų143.678%0.77980%0.798SS**  cis-141.8-17521.268.10000108
97S28.4Very low32.9Very low107 Ų107148.4 Ų148.475%0.74881%0.814SS**  cis-147.7-166.26.2620000107.7
98S28.8Very low32.9Very low93 Ų93151.1 Ų151.165%0.6582%0.823SS**  cis-151166.23.970.10000110.4
99R29.6Very low33Very low247 Ų247149.5 Ų149.593%0.93282%0.822SS**  trans71.2110.2166.5-62.7-175.3178.1-173.5-1.2119.4
100K29.4Very low32.7Very low202 Ų202150.9 Ų150.988%0.87883%0.829SS**  trans-85.4176163.8-81.9-175.8179.4-176.40109.9
101P36.4Very low32.4Very low121 Ų121146.6 Ų146.679%0.78683%0.825SS**  cis-136.6177.220.538.4-17.3000118.8
102S32.7Very low32.1Very low111 Ų111145.2 Ų145.278%0.77683%0.826SS**  trans-58.9154.2178.848.20000117
103L28.8Very low32Very low181 Ų181146 Ų14695%0.94883%0.828SS**  trans-123.2150.1143.1-96.2166.7000109.7
104A33.9Very low32.2Very low94 Ų94148.2 Ų148.278%0.77783%0.829SS**  trans-100.9166.3-167.100000112.8G106A104-G106 PolarHBondContact O-N 3.49Å
105L32.2Very low32.4Very low185 Ų185150.6 Ų150.697%0.96983%0.831SS**SBendtrans-73.7119.6170.2-179.772.5000109.7
106G38.1Very low32.5Very low60 Ų60147.9 Ų147.962%0.61983%0.829SS**  trans145.483174.700000112A104A104-G106 PolarHBondContact O-N 3.49Å
107D29.6Very low32.7Very low171 Ų171150.1 Ų150.191%0.91483%0.831SS**  trans-172.7104.9144.7-93.3-22.4000109
108T38.6Very low32.8Very low136 Ų136153 Ų15383%0.83484%0.837SS**  trans-111.3135.9157.249.10000106
109P42.3Very low33Very low110 Ų110155.6 Ų155.671%0.71484%0.839SS**  -147.716393.336.1-18.6000116.6
110D31.6Very low33.2Very low160 Ų160151.9 Ų151.986%0.85684%0.836SS**  trans49.991.1143.9-58-26.3000121.2
111A30.9Very low33.3Very low90 Ų90149.9 Ų149.974%0.74483%0.832SS**  trans-159.137.5149.500000114.5
112F30Very low33.2Very low213 Ų213149.6 Ų149.693%0.93483%0.833SS**  trans-13368.7172.4-82.4-77.2000112
113R33.5Very low33.4Very low254 Ų254155.1 Ų155.196%0.95884%0.837SS**  trans-135.246.6170.9-114.2-176.6167.5177.2-5111.5
114E34.2Very low33.7Very low191 Ų191155.2 Ų155.289%0.89383%0.832SS**  trans-134.548.3177.7-142.8170.7-140.900111.8
115L33.6Very low33.9Very low175 Ų175159.3 Ų159.392%0.91684%0.84SS**SBendtrans-118.8108.1155.4-79.6171.5000107
116G31.7Very low34Very low77 Ų77157.7 Ų157.779%0.79483%0.833SS**  trans-59.9145.1-17600000112.4L118G116-L118 PolarHBondContact O-N 2.78Å
117H32.9Very low34.2Very low175 Ų175160.4 Ų160.481%0.8184%0.839SS**  trans-61.8127.7175-165.8-89.8000109.7E119H117-E119 VanDerWaalsContact C-N 3.34Å; H117-E119 PolarHBondContact O-N 2.8Å
118L30.1Very low34.7Very low168 Ų168158.3 Ų158.388%0.8883%0.833SS**  trans-71.290.6174.8-103.2160.2000109.3G116 L120G116-L118 PolarHBondContact O-N 2.78Å; L118-L120 PolarHBondContact O-N 2.84Å
119E33.8Very low34.9Very low147 Ų147155.2 Ų155.269%0.68783%0.828SS**  trans-83.8103.3177.5-162.1165-130.700109.9H117 M121H117-E119 VanDerWaalsContact C-N 3.34Å; H117-E119 PolarHBondContact O-N 2.8Å; E119-M121 PolarHBondContact O-N 2.88Å
120L32.7Very low35.1Very low168 Ų168158.9 Ų158.988%0.8884%0.841SS**  trans-68.591173.7-89.2160000109.7L118 S122L118-L120 PolarHBondContact O-N 2.84Å; L120-S122 PolarHBondContact O-N 2.92Å
121M31.7Very low35.4Very low161 Ų161155.5 Ų155.579%0.79384%0.835SS**  trans-68.894.7173.9-73.4-161.9163.700111.3E119 R123E119-M121 PolarHBondContact O-N 2.88Å; M121-R123 PolarHBondContact O-N 3.06Å
122S34.7Very low36Very low114 Ų114160.1 Ų160.180%0.79784%0.841SS**  trans-66.495.3160.353.60000109.1L120 E124L120-S122 PolarHBondContact O-N 2.92Å; S122-E124 PolarHBondContact O-N 3.32Å
123R36.5Very low36.3Very low227 Ų227158.1 Ų158.186%0.85784%0.84SS**  trans-81.9113.1178.1179.6171.7165166.4-4.3110.4M121M121-R123 PolarHBondContact O-N 3.06Å
124E34.4Very low36.5Very low183 Ų183153.2 Ų153.286%0.85583%0.832SS**  trans-61.5144.5170.8-65.8176.9137.800111S122S122-E124 PolarHBondContact O-N 3.32Å
125L38.7Very low36.6Very low180 Ų180155.3 Ų155.394%0.94283%0.832SS**  trans-95.4117.7175.3-83132.6000109
126D34.3Very low36.6Very low152 Ų152152.1 Ų152.181%0.81382%0.824SS**  trans-110135.5173.2-14613.6000109.7T128D126-T128 PolarHBondContact O-N 2.82Å
127P43.3Very low36.9Very low116 Ų116154.4 Ų154.475%0.75382%0.823SS**  trans-100.236.5-148.339.9-38.4000115.8
128T39.2Very low37Very low127 Ų127151 Ų15178%0.77982%0.818SS**  trans-142.5110.3178.453.10000115.5D126D126-T128 PolarHBondContact O-N 2.82Å
129G43.1Very low37.4Very low72 Ų72149 Ų14974%0.74281%0.813SS**  trans78.1103.1137.400000120.1
130L47.1Very low37.5Very low186 Ų186149.1 Ų149.197%0.97482%0.819SS**  trans48.793155.9-75.685.9000118.3
131A38.1Very low37.7Very low89 Ų89144.9 Ų144.974%0.73680%0.803SS**  trans-117.6127.4148.100000109.3L133A131-L133 PolarHBondContact O-N 2.84Å
132Q41.8Very low37.8Very low188 Ų188145.9 Ų145.988%0.87981%0.81SS**  trans-68.3115.8-178.1-129.9171.7-1.700110.1N134Q132-N134 PolarHBondContact O-N 3.19Å
133L36.1Very low37.9Very low171 Ų171145.8 Ų145.890%0.89581%0.81SS**  trans-7691.6177.7-74.8167.4000110.5A131 R135A131-L133 PolarHBondContact O-N 2.84Å; L133-R135 PolarHBondContact O-N 2.81Å
134N37.8Very low37.5Very low150 Ų150137.5 Ų137.580%0.80279%0.787SS**PPolyproline II helixtrans-63.6120.1163.9-76.3-21.1000108.9Q132 S136Q132-N134 PolarHBondContact O-N 3.19Å; N134-S136 PolarHBondContact O-N 2.82Å
135R37.4Very low37.8Very low236 Ų236135.8 Ų135.889%0.89178%0.782SS**PPolyproline II helixtrans-62.1128.2174.8-76.5-178.2175.5159-1.4109.6L133 V137L133-R135 PolarHBondContact O-N 2.81Å; R135-V137 PolarHBondContact O-N 2.9Å
136S33Very low37.6Very low107 Ų107130.6 Ų130.675%0.74876%0.761SS**PPolyproline II helixtrans-61.9120.3164.851.60000109.6N134 S138N134-S136 PolarHBondContact O-N 2.82Å; S136-S138 PolarHBondContact O-N 3.23Å
137V38.4Very low37.5Very low126 Ų126127.3 Ų127.376%0.76475%0.75SS**  trans-82.4101.2172.4179.60000108.1R135 T139R135-V137 PolarHBondContact O-N 2.9Å; V137-T139 HydrophobicContact CG1-CG2 4.34Å; V137-T139 PolarHBondContact O-N 2.91Å
138S34.1Very low37.1Very low103 Ų103127 Ų12772%0.7274%0.741SS**  trans-73.3117.6170.2-57.30000109.6S136 D140S136-S138 PolarHBondContact O-N 3.23Å; S138-D140 VanDerWaalsContact C-N 3.32Å; S138-D140 PolarHBondContact O-N 3.27Å
139T39Very low36.8Very low125 Ų125123 Ų12377%0.76772%0.72SS**SBendtrans-90.338.1-172.851.70000114.2V137V137-T139 HydrophobicContact CG1-CG2 4.34Å; V137-T139 PolarHBondContact O-N 2.91Å
140D37Very low36.4Very low151 Ų151127.2 Ų127.281%0.80773%0.726SS**SBendtrans-141.348.7-176.7-84.1-49.5000113S138S138-D140 VanDerWaalsContact C-N 3.32Å; S138-D140 PolarHBondContact O-N 3.27Å
141S35.3Very low36Very low78 Ų78120.8 Ų120.855%0.54569%0.692SS.*SBendtrans-151.4-6.5174.2-630000117S143 S144S141-S143 VanDerWaalsContact C-N 3.33Å; S141-S143 PolarHBondContact O-N 2.81Å; S141-S144 PolarHBondContact O-N 2.92Å; S141-S144 PolarHBondContact O-OG 2.84Å
142L34.4Very low35.6Very low182 Ų182124.7 Ų124.795%0.95369%0.693SS**THydrogen-bonded Turntrans-86.34.3-173.8-68.1178.2000115.3
143S36.7Very low35.4Very low112 Ų112117.6 Ų117.678%0.78367%0.67SS**THydrogen-bonded Turntrans-114.122.6166.355.40000112.4S141 I145S141-S143 VanDerWaalsContact C-N 3.33Å; S141-S143 PolarHBondContact O-N 2.81Å; S143-I145 PolarHBondContact O-N 2.86Å
144S28.5Very low35.8Very low53 Ų53112 Ų11237%0.37164%0.64SS.*  trans-63.1125.6172.9-58.60000109.8S141 S146S141-S144 PolarHBondContact O-N 2.92Å; S141-S144 PolarHBondContact O-OG 2.84Å; S144-S146 PolarHBondContact O-N 3.21Å
145I40.1Very low36.4Very low147 Ų147105.9 Ų105.975%0.75461%0.606SS**THydrogen-bonded Turntrans-71.227.2-176.2-53.4161.7000111.4S143S143-I145 PolarHBondContact O-N 2.86Å
146S35.2Very low37.2Very low72 Ų7295.5 Ų95.550%0.50357%0.568SS.*THydrogen-bonded Turntrans-144.67.1-160.4610000115S144S144-S146 PolarHBondContact O-N 3.21Å
147S31.7Very low38.6Very low83 Ų8392.1 Ų92.158%0.5854%0.543SS*.SBendtrans-127.2-2.8-169.760.20000117.8
148I34.9Very low40Very low109 Ų10986.4 Ų86.456%0.55951%0.508SS*.SBendtrans-132.9-14.5178.8-55.1-176.5000114F273I148-F273 HydrophobicContact CG2-CE2 3.94Å
149A32.8Very low42.1Very low42 Ų4281.9 Ų81.935%0.34748%0.477SS..SBendtrans-117.5126.8166.900000109.7N151A149-N151 HydrophobicContact CB-CB 4.39Å; A149-N151 PolarHBondContact O-N 2.89Å
150N34.9Very low44.4Very low161 Ų16178.5 Ų78.586%0.86145%0.453SS*.  trans-77.753.5-178.1-169.341.2000111.8
151N38.2Very low46.9Very low51 Ų5171.3 Ų71.327%0.27341%0.414SS..  trans-114.915-163.8-71.725.9000113.9A149 G153 H154A149-N151 HydrophobicContact CB-CB 4.39Å; A149-N151 PolarHBondContact O-N 2.89Å; N151-G153 PolarHBondContact O-N 3.3Å; N151-H154 VanDerWaalsContact CG-CD2 3.45Å
152F30.5Very low49.7Very low172 Ų17270.1 Ų70.175%0.75440%0.4SS*.THydrogen-bonded Turntrans-74.276166.6-91.6-95000110.3
153G38Very low52.5Low38 Ų3861.5 Ų61.539%0.39236%0.355SS..THydrogen-bonded Turntrans148.423.7179.400000115.9N151N151-G153 PolarHBondContact O-N 3.3Å
154H43.7Very low55.3Low55 Ų5556.8 Ų56.826%0.25532%0.322SS..  trans-92.5131.7171.5-69.4-54.8000112N151 T157 Q280N151-H154 VanDerWaalsContact CG-CD2 3.45Å; H154-T157 HydrophobicContact CB-CG2 4.12Å; H154-Q280 HydrophobicContact CB-CG 4.14Å; H154-Q280 PolarHBondContact CE1-NE2 2.76Å; H154-Q280 VanDerWaalsContact CE1-NE2 3.32Å; H154-Q280 VanDerWaalsContact ND1-CD 3.25Å; H154-Q280 PolarHBondContact ND1-NE2 2.76Å; H154-Q280 PolarHBondContact ND1-OE1 2.9Å
155D51.1Low58.5Low20 Ų2054.2 Ų54.211%0.10730%0.304CS..SBendtrans-114.82.2-150.1-100.5-29.8000114.5M401 P422 R424D155-M401 WeakPolarHBondContact OD1-CE 3.05Å; D155-M401 VanDerWaalsContact OD1-CG 3.29Å; D155-M401 WeakPolarHBondContact OD1-CG 3.14Å; D155-P422 HydrophobicContact CB-CB 3.99Å; D155-P422 HydrophobicContact CB-CG 3.65Å; D155-P422 WeakPolarHBondContact OD1-CD 3.3Å; D155-P422 WeakPolarHBondContact OD2-CD 3.28Å; D155-R424 PolarHBondContact O-NH2 2.7Å; D155-R424 VanDerWaalsContact O-NH2 3.07Å
156F54.3Low61Low18 Ų1850.5 Ų50.58%0.07928%0.283CS..  trans-140.928.3-167.2-59.1-68.2000109.3V158 Q280 D281 K284 A285 A288 P422 R424F156-V158 PolarHBondContact O-N 3.27Å; F156-Q280 CarbonylContact O-C 3.48Å; F156-Q280 WeakPolarHBondContact O-CA 3.37Å; F156-D281 HydrophobicContact CB-CB 4Å; F156-D281 PolarHBondContact O-N 2.77Å; F156-K284 HydrophobicContact CD1-CB 3.39Å; F156-K284 VanDerWaalsContact CE1-C 3.48Å; F156-K284 HydrophobicContact CE1-CB 3.76Å; F156-K284 WeakPolarHBondContact CE1-O 3.41Å; F156-K284 HydrophobicContact CG-CB 4.31Å; F156-K284 WeakPolarHBondContact CZ-O 3.5Å; F156-A285 HydrophobicContact CD2-CB 4Å; F156-A285 HydrophobicContact CE2-CB 4.15Å; F156-A285 HydrophobicContact CG-CB 4.49Å; F156-A288 HydrophobicContact CZ-CB 4.3Å; F156-P422 HydrophobicContact CZ-CB 4.2Å; F156-R424 HydrophobicContact CE1-CG 4.1Å
157T61Low63.9Low36 Ų3648.1 Ų48.122%0.22126%0.264CS..EExtended strand (participates in β ladder)trans-68.9104.5-172.656.80000111.5H154 G159 Y278 L279H154-T157 HydrophobicContact CB-CG2 4.12Å; T157-G159 VanDerWaalsContact C-N 3.32Å; T157-Y278 HydrophobicContact CG2-CD1 4.28Å; T157-L279 CarbonylContact C-O 3.6Å; T157-L279 VanDerWaalsContact CA-O 3.23Å; T157-L279 WeakPolarHBondContact CA-O 3.4Å
158V69Low66.9Low7 Ų746 Ų464%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-100.245.6176.1-70.80000110.4F156 D183 L184 E186 A256 G257 L279 D281F156-V158 PolarHBondContact O-N 3.27Å; V158-D183 CarbonylContact C-O 3.53Å; V158-D183 VanDerWaalsContact O-O 3.05Å; V158-L184 CarbonylContact O-C 3.46Å; V158-L184 VanDerWaalsContact O-CA 3.25Å; V158-L184 WeakPolarHBondContact O-CA 3.37Å; V158-E186 HydrophobicContact CG1-CG 4.25Å; V158-A256 WeakPolarHBondContact CG2-O 3.34Å; V158-G257 VanDerWaalsContact CG2-CA 3.46Å; V158-L279 HydrophobicContact CG2-CB 4.21Å; V158-L279 WeakPolarHBondContact CG2-O 3.24Å; V158-L279 PolarHBondContact N-O 3.2Å; V158-D281 HydrophobicContact CG1-CB 3.73Å; V158-D281 HydrophobicContact CG2-CB 4.29Å
159G78.5Confident69.5Low7 Ų743 Ų437%0.07224%0.238CC..EExtended strand (participates in β ladder)trans108.8-175.6178.300000115.6T157 K182 D183 L279T157-G159 VanDerWaalsContact C-N 3.32Å; G159-K182 CarbonylContact C-O 3.49Å; G159-K182 WeakPolarHBondContact CA-O 3.41Å; G159-D183 WeakPolarHBondContact CA-O 3.3Å; G159-D183 PolarHBondContact N-O 3.43Å; G159-L279 PolarHBondContact O-N 3.38Å
160Q86.8Confident72.3Confident54 Ų5446 Ų4625%0.25226%0.256SS..EExtended strand (participates in β ladder)trans-137.7142.5-168.9-49177.239.300109.8G181 K182 W276 L277 Y278Q160-G181 CarbonylContact O-C 3.31Å; Q160-G181 VanDerWaalsContact O-CA 3.29Å; Q160-G181 WeakPolarHBondContact O-CA 3.43Å; Q160-K182 PolarHBondContact N-O 2.99Å; Q160-K182 PolarHBondContact O-N 2.99Å; Q160-W276 HydrophobicContact CB-CE3 3.67Å; Q160-W276 HydrophobicContact CB-CZ3 4.14Å; Q160-L277 CarbonylContact C-O 3.55Å; Q160-L277 VanDerWaalsContact CA-O 3.23Å; Q160-L277 WeakPolarHBondContact CA-O 3.18Å; Q160-Y278 HydrophobicContact CG-CD1 3.73Å; Q160-Y278 HydrophobicContact CG-CE1 3.72Å
161L90.3Very high75Confident0 Ų046.8 Ų46.80%025%0.247CC..EExtended strand (participates in β ladder)trans-127.4121.5-177.7-175.667.9000109.8V163 L178 I197 F222 F242 W276 L277 L279L161-V163 HydrophobicContact CD2-CG1 4.02Å; L161-V163 HydrophobicContact CG-CG1 3.85Å; L161-L178 HydrophobicContact CD2-CD2 4.02Å; L161-L178 HydrophobicContact CG-CD2 4.41Å; L161-I197 HydrophobicContact CD1-CD1 4.27Å; L161-I197 HydrophobicContact CD1-CG1 4.08Å; L161-I197 HydrophobicContact CD2-CG1 4.47Å; L161-I197 HydrophobicContact CD2-CG2 4.11Å; L161-F222 HydrophobicContact CD1-CD2 4.35Å; L161-F222 HydrophobicContact CD1-CE2 4.07Å; L161-F242 HydrophobicContact CD2-CB 3.98Å; L161-F242 HydrophobicContact CD2-CD1 4.07Å; L161-F242 HydrophobicContact CD2-CG 4.21Å; L161-W276 WeakPolarHBondContact O-CA 3.48Å; L161-L277 PolarHBondContact N-O 2.79Å; L161-L277 PolarHBondContact O-N 3.18Å; L161-L279 HydrophobicContact CB-CD1 4.46Å; L161-L279 HydrophobicContact CB-CG 4.48Å
162E92.3Very high77.7Confident53 Ų5347.2 Ų47.225%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-85.7120.2176.8-170166.5-129.300110.6H179 Q180 W276E162-H179 HydrophobicContact CB-CB 4.39Å; E162-H179 HydrophobicContact CG-CB 4.38Å; E162-H179 PolarHBondContact O-N 3.25Å; E162-Q180 HydrophobicContact CB-CG 3.92Å; E162-Q180 PolarHBondContact N-O 3.44Å; E162-Q180 VanDerWaalsContact OE2-CG 3.25Å; E162-Q180 WeakPolarHBondContact OE2-CG 3.18Å; E162-Q180 PolarHBondContact OE2-NE2 3.46Å; E162-W276 HydrophobicContact CB-CD2 3.9Å; E162-W276 HydrophobicContact CB-CE3 4.02Å; E162-W276 HydrophobicContact CB-CH2 3.82Å; E162-W276 HydrophobicContact CB-CZ2 3.68Å; E162-W276 HydrophobicContact CB-CZ3 3.99Å; E162-W276 VanDerWaalsContact CD-CE2 3.49Å; E162-W276 HydrophobicContact CG-CD2 4.32Å; E162-W276 HydrophobicContact CG-CZ2 3.99Å; E162-W276 WeakPolarHBondContact OE1-CZ2 3.12Å; E162-W276 PolarHBondContact OE1-NE1 2.75Å; E162-W276 WeakPolarHBondContact OE2-CZ2 3.45Å
163V94.1Very high80.7Confident1 Ų141 Ų411%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-129.9147.9-175.1-49.20000112.3L161 T177 L178 F242 F273 N274 A275 L277L161-V163 HydrophobicContact CD2-CG1 4.02Å; L161-V163 HydrophobicContact CG-CG1 3.85Å; V163-T177 WeakPolarHBondContact CA-O 3.36Å; V163-L178 HydrophobicContact CB-CD2 4.33Å; V163-L178 HydrophobicContact CG1-CD2 3.55Å; V163-F242 HydrophobicContact CG1-CE1 4.24Å; V163-F242 HydrophobicContact CG1-CZ 4.47Å; V163-F273 HydrophobicContact CG2-CE1 4.28Å; V163-N274 WeakPolarHBondContact O-CA 3.36Å; V163-A275 PolarHBondContact N-O 3.49Å; V163-A275 PolarHBondContact O-N 3.13Å; V163-A275 VanDerWaalsContact O-N 3.09Å; V163-L277 HydrophobicContact CG1-CD1 4.1Å; V163-L277 HydrophobicContact CG1-CG 4.42Å; V163-L277 HydrophobicContact CG2-CD1 3.79Å; V163-L277 HydrophobicContact CG2-CD2 4.46Å; V163-L277 HydrophobicContact CG2-CG 3.87Å
164T95.1Very high83.4Confident13 Ų1339.2 Ų39.28%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-121.3131.6166-61.50000109.9E166 T177 H179 F273 N274T164-E166 HydrophobicContact CG2-CG 3.84Å; T164-T177 PolarHBondContact N-O 3.43Å; T164-T177 PolarHBondContact O-N 3.23Å; T164-H179 PolarHBondContact OG1-NE2 2.74Å; T164-F273 CarbonylContact C-O 3.55Å; T164-F273 VanDerWaalsContact CA-O 3.27Å; T164-F273 WeakPolarHBondContact CA-O 3.43Å; T164-N274 WeakPolarHBondContact CB-OD1 3.2Å; T164-N274 WeakPolarHBondContact CG2-OD1 3.48Å; T164-N274 PolarHBondContact OG1-OD1 3.21Å
165L95.1Very high85.9Confident0 Ų037.6 Ų37.60%020%0.196CC..EExtended strand (participates in β ladder)trans-116.8128.5173.2-53.9178.9000109.8H175 I176 L240 F242 L261 L263 L266 L268 P272 F273L165-H175 WeakPolarHBondContact CA-O 3.38Å; L165-I176 HydrophobicContact CD2-CB 4Å; L165-I176 HydrophobicContact CD2-CG1 3.65Å; L165-I176 HydrophobicContact CD2-CG2 3.84Å; L165-L240 HydrophobicContact CD1-CD1 3.74Å; L165-L240 HydrophobicContact CD2-CD1 3.58Å; L165-L240 HydrophobicContact CG-CD1 4.33Å; L165-F242 HydrophobicContact CD2-CZ 4.46Å; L165-L261 HydrophobicContact CD1-CD2 3.83Å; L165-L263 HydrophobicContact CD1-CD2 4.31Å; L165-L266 HydrophobicContact CD1-CD1 3.77Å; L165-L268 HydrophobicContact CB-CD1 4.47Å; L165-L268 HydrophobicContact CB-CD2 3.85Å; L165-P272 CarbonylContact O-C 3.6Å; L165-P272 VanDerWaalsContact O-CA 3.28Å; L165-P272 WeakPolarHBondContact O-CA 3.37Å; L165-F273 HydrophobicContact CB-CB 4.27Å; L165-F273 HydrophobicContact CB-CD1 4.41Å; L165-F273 HydrophobicContact CD1-CD1 3.94Å; L165-F273 HydrophobicContact CG-CD1 4.08Å; L165-F273 PolarHBondContact N-O 2.89Å; L165-F273 PolarHBondContact O-N 2.84Å
166E94.6Very high88Confident68 Ų6836.7 Ų36.732%0.31819%0.191SC..EExtended strand (participates in β ladder)trans-131.2128.2178.8-37.2-176.5123.300109.3T164 H175 R225 P272T164-E166 HydrophobicContact CG2-CG 3.84Å; E166-H175 HydrophobicContact CB-CB 4.26Å; E166-H175 PolarHBondContact N-O 3.49Å; E166-H175 PolarHBondContact O-N 2.9Å; E166-R225 IonicContact OE2-CZ 3.22Å; E166-R225 IonicContact OE2-NH1 2.75Å; E166-R225 PolarHBondContact OE2-NH1 3.28Å; E166-R225 IonicContact OE2-NH2 2.8Å; E166-R225 PolarHBondContact OE2-NH2 2.88Å; E166-P272 HydrophobicContact CB-CB 4.46Å; E166-P272 HydrophobicContact CG-CB 4Å
167F95.2Very high90Very high22 Ų2236.6 Ų36.610%0.09619%0.192CC..EExtended strand (participates in β ladder)trans-104.4117.4175.3-176.8-108.5000111.2A169 L174 M230 Q232 L235 L268 T269F167-A169 HydrophobicContact CD1-CB 4.11Å; F167-A169 HydrophobicContact CE1-CB 3.72Å; F167-A169 PolarHBondContact O-N 3.47Å; F167-L174 HydrophobicContact CB-CD1 4.47Å; F167-L174 HydrophobicContact CD2-CB 4.38Å; F167-M230 VanDerWaalsContact CE2-O 3.29Å; F167-M230 WeakPolarHBondContact CE2-O 3.49Å; F167-Q232 HydrophobicContact CE1-CB 3.86Å; F167-Q232 HydrophobicContact CE1-CG 4.01Å; F167-Q232 HydrophobicContact CZ-CB 3.9Å; F167-Q232 HydrophobicContact CZ-CG 4.48Å; F167-L235 HydrophobicContact CD1-CD1 3.97Å; F167-L235 HydrophobicContact CD2-CD1 4.13Å; F167-L235 HydrophobicContact CD2-CD2 4.15Å; F167-L235 HydrophobicContact CE1-CD1 4.04Å; F167-L235 HydrophobicContact CE2-CD1 4.21Å; F167-L235 HydrophobicContact CE2-CD2 4.43Å; F167-L235 HydrophobicContact CE2-CG 4.48Å; F167-L235 HydrophobicContact CG-CD1 4.01Å; F167-L235 HydrophobicContact CZ-CD1 4.18Å; F167-L268 HydrophobicContact CB-CB 3.93Å; F167-T269 HydrophobicContact CD1-CG2 4.14Å
168D94.3Very high91.7Very high40 Ų4034.9 Ų34.921%0.21418%0.181CC..EExtended strand (participates in β ladder)trans-93.393172.7-175.6-10.7000110S170 R171 Q172 L173D168-S170 PolarHBondContact O-N 3.49Å; D168-S170 WeakPolarHBondContact OD1-CA 3.36Å; D168-S170 VanDerWaalsContact OD1-CB 3.3Å; D168-S170 WeakPolarHBondContact OD1-CB 3.29Å; D168-S170 PolarHBondContact OD1-N 3.07Å; D168-S170 PolarHBondContact OD1-OG 3.27Å; D168-R171 HydrophobicContact CB-CB 4.4Å; D168-R171 CarbonylContact O-C 3.52Å; D168-R171 PolarHBondContact O-N 2.9Å; D168-R171 VanDerWaalsContact O-N 3.11Å; D168-R171 PolarHBondContact OD1-N 2.97Å; D168-R171 WeakPolarHBondContact OD2-CD 3.4Å; D168-R171 VanDerWaalsContact OD2-CG 3.27Å; D168-R171 WeakPolarHBondContact OD2-CG 3.42Å; D168-R171 IonicContact OD2-NE 3.52Å; D168-Q172 WeakPolarHBondContact O-CA 3.43Å; D168-Q172 PolarHBondContact O-N 3.16Å; D168-L173 PolarHBondContact N-O 3.34Å; D168-L173 PolarHBondContact O-N 3.42Å
169A89.9Confident92.8Very high46 Ų4637.1 Ų37.138%0.3819%0.191SC..THydrogen-bonded Turntrans-63.2-18.4176.100000113.8F167 R171 Q172F167-A169 HydrophobicContact CD1-CB 4.11Å; F167-A169 HydrophobicContact CE1-CB 3.72Å; F167-A169 PolarHBondContact O-N 3.47Å; A169-R171 VanDerWaalsContact C-N 3.35Å; A169-Q172 PolarHBondContact O-NE2 3.42Å
170S91.7Very high93.3Very high104 Ų10439.1 Ų39.173%0.72720%0.199SC*.THydrogen-bonded Turntrans-77.9-24175.678.10000112.5D168D168-S170 PolarHBondContact O-N 3.49Å; D168-S170 WeakPolarHBondContact OD1-CA 3.36Å; D168-S170 VanDerWaalsContact OD1-CB 3.3Å; D168-S170 WeakPolarHBondContact OD1-CB 3.29Å; D168-S170 PolarHBondContact OD1-N 3.07Å; D168-S170 PolarHBondContact OD1-OG 3.27Å
171R92.2Very high93.4Very high178 Ų17836.5 Ų36.567%0.67219%0.187SC*.THydrogen-bonded Turntrans-112.7-7.6-179.7-61.2-176.8-174.6176.3-0.6114D168 A169 L173D168-R171 HydrophobicContact CB-CB 4.4Å; D168-R171 CarbonylContact O-C 3.52Å; D168-R171 PolarHBondContact O-N 2.9Å; D168-R171 VanDerWaalsContact O-N 3.11Å; D168-R171 PolarHBondContact OD1-N 2.97Å; D168-R171 WeakPolarHBondContact OD2-CD 3.4Å; D168-R171 VanDerWaalsContact OD2-CG 3.27Å; D168-R171 WeakPolarHBondContact OD2-CG 3.42Å; D168-R171 IonicContact OD2-NE 3.52Å; A169-R171 VanDerWaalsContact C-N 3.35Å; R171-L173 VanDerWaalsContact C-N 3.29Å; R171-L173 HydrophobicContact CB-CB 4.31Å; R171-L173 HydrophobicContact CB-CD1 3.83Å; R171-L173 HydrophobicContact CB-CG 3.92Å; R171-L173 PolarHBondContact O-N 3.34Å
172Q93.3Very high93.1Very high59 Ų5940 Ų4028%0.27620%0.201SC..THydrogen-bonded Turntrans5150.9-169.4-56.5-63.1-4900110.6D168 A169 P229 M230 D231D168-Q172 WeakPolarHBondContact O-CA 3.43Å; D168-Q172 PolarHBondContact O-N 3.16Å; A169-Q172 PolarHBondContact O-NE2 3.42Å; Q172-P229 WeakPolarHBondContact O-CA 3.43Å; Q172-M230 CarbonylContact C-O 3.53Å; Q172-M230 VanDerWaalsContact C-O 3.31Å; Q172-M230 WeakPolarHBondContact CA-O 3.31Å; Q172-M230 WeakPolarHBondContact CB-O 3.47Å; Q172-M230 PolarHBondContact O-N 2.91Å; Q172-D231 VanDerWaalsContact OE1-CA 3.26Å
173L94.7Very high92.4Very high42 Ų4240.8 Ų40.822%0.2221%0.207CC..EExtended strand (participates in β ladder)trans-122124.5179.6-71.5175.6000110.6D168 R171 V228 P229D168-L173 PolarHBondContact N-O 3.34Å; D168-L173 PolarHBondContact O-N 3.42Å; R171-L173 VanDerWaalsContact C-N 3.29Å; R171-L173 HydrophobicContact CB-CB 4.31Å; R171-L173 HydrophobicContact CB-CD1 3.83Å; R171-L173 HydrophobicContact CB-CG 3.92Å; R171-L173 PolarHBondContact O-N 3.34Å; L173-V228 WeakPolarHBondContact CA-O 3.23Å; L173-P229 HydrophobicContact CD2-CG 4.43Å
174L94.4Very high91.6Very high0 Ų040.8 Ų40.80%021%0.208CC..EExtended strand (participates in β ladder)trans-89.1120.6164-179.363000109.1F167 I176 S227 V228 M230 L240 L263 L268F167-L174 HydrophobicContact CB-CD1 4.47Å; F167-L174 HydrophobicContact CD2-CB 4.38Å; L174-I176 HydrophobicContact CD2-CD1 4.33Å; L174-I176 HydrophobicContact CD2-CG1 4.45Å; L174-I176 HydrophobicContact CG-CD1 4.41Å; L174-I176 HydrophobicContact CG-CG1 4.24Å; L174-S227 WeakPolarHBondContact O-CA 3.49Å; L174-V228 PolarHBondContact N-O 3.27Å; L174-V228 PolarHBondContact O-N 2.88Å; L174-M230 HydrophobicContact CB-CB 4.21Å; L174-M230 HydrophobicContact CB-SD 4.22Å; L174-M230 HydrophobicContact CD2-CE 4.31Å; L174-M230 HydrophobicContact CD2-SD 3.77Å; L174-L240 HydrophobicContact CD2-CD1 4.21Å; L174-L263 HydrophobicContact CD2-CD1 3.68Å; L174-L263 HydrophobicContact CD2-CD2 4.19Å; L174-L268 HydrophobicContact CD1-CD1 3.92Å
175H95.8Very high90.5Very high22 Ų2240.7 Ų40.710%0.10221%0.207CC..EExtended strand (participates in β ladder)trans-99.6130.9174.1-63-66.4000110.5L165 E166 R225 S227L165-H175 WeakPolarHBondContact CA-O 3.38Å; E166-H175 HydrophobicContact CB-CB 4.26Å; E166-H175 PolarHBondContact N-O 3.49Å; E166-H175 PolarHBondContact O-N 2.9Å; H175-R225 VanDerWaalsContact CB-NH2 3.34Å; H175-R225 PolarHBondContact CD2-NH2 3.08Å; H175-S227 PolarHBondContact CE1-OG 3Å; H175-S227 PolarHBondContact ND1-OG 3.31Å
176I96.3Very high88.9Confident0 Ų043.1 Ų43.10%022%0.218CC..EExtended strand (participates in β ladder)trans-124.2113-178-60.5142.5000107.3L165 L174 V199 V208 R225 F226 V228 L240 F242L165-I176 HydrophobicContact CD2-CB 4Å; L165-I176 HydrophobicContact CD2-CG1 3.65Å; L165-I176 HydrophobicContact CD2-CG2 3.84Å; L174-I176 HydrophobicContact CD2-CD1 4.33Å; L174-I176 HydrophobicContact CD2-CG1 4.45Å; L174-I176 HydrophobicContact CG-CD1 4.41Å; L174-I176 HydrophobicContact CG-CG1 4.24Å; I176-V199 HydrophobicContact CD1-CG1 4.41Å; I176-V199 HydrophobicContact CG2-CG1 4.38Å; I176-V208 HydrophobicContact CD1-CG1 3.88Å; I176-R225 CarbonylContact O-C 3.12Å; I176-R225 WeakPolarHBondContact O-CA 3.29Å; I176-F226 HydrophobicContact CB-CB 4.44Å; I176-F226 PolarHBondContact N-O 3.32Å; I176-F226 PolarHBondContact O-N 3.31Å; I176-V228 HydrophobicContact CD1-CG2 4.22Å; I176-L240 HydrophobicContact CD1-CD1 4.16Å; I176-L240 HydrophobicContact CD1-CD2 3.65Å; I176-L240 HydrophobicContact CG1-CD1 3.92Å; I176-L240 HydrophobicContact CG1-CD2 4.3Å; I176-F242 HydrophobicContact CG2-CE1 3.89Å; I176-F242 HydrophobicContact CG2-CZ 4.32Å
177T96.4Very high86.9Confident17 Ų1748.5 Ų48.510%0.10424%0.24CC..EExtended strand (participates in β ladder)trans-109.8125.3177.9-47.30000109.4V163 T164 E224 R225V163-T177 WeakPolarHBondContact CA-O 3.36Å; T164-T177 PolarHBondContact N-O 3.43Å; T164-T177 PolarHBondContact O-N 3.23Å; T177-E224 WeakPolarHBondContact CA-O 3.5Å; T177-R225 HydrophobicContact CG2-CB 4.42Å
178L95.1Very high84.8Confident0 Ų055.8 Ų55.80%027%0.274CS..EExtended strand (participates in β ladder)trans-101.8113.3172.2-59.7-174.7000108.1L161 V163 I197 V199 T211 F222 D223 E224 F226 F242L161-L178 HydrophobicContact CD2-CD2 4.02Å; L161-L178 HydrophobicContact CG-CD2 4.41Å; V163-L178 HydrophobicContact CB-CD2 4.33Å; V163-L178 HydrophobicContact CG1-CD2 3.55Å; L178-I197 HydrophobicContact CD1-CB 3.95Å; L178-I197 HydrophobicContact CD1-CG1 4.44Å; L178-I197 HydrophobicContact CD1-CG2 3.84Å; L178-V199 HydrophobicContact CD1-CG2 3.89Å; L178-T211 HydrophobicContact CD1-CG2 3.59Å; L178-F222 HydrophobicContact CB-CB 4.33Å; L178-D223 CarbonylContact O-C 3.54Å; L178-D223 VanDerWaalsContact O-CA 3.29Å; L178-D223 WeakPolarHBondContact O-CA 3.46Å; L178-D223 PolarHBondContact O-N 3.17Å; L178-E224 PolarHBondContact N-O 3.03Å; L178-E224 PolarHBondContact O-N 3.35Å; L178-F226 HydrophobicContact CD1-CE2 4.03Å; L178-F226 HydrophobicContact CG-CE2 4.4Å; L178-F242 HydrophobicContact CD2-CD1 3.88Å; L178-F242 HydrophobicContact CD2-CE1 3.75Å
179H92.6Very high82.7Confident53 Ų5359.4 Ų59.425%0.24529%0.29CS..EExtended strand (participates in β ladder)trans-86.8-66.6-178.4-58-78.8000110.3E162 T164 F222 D223E162-H179 HydrophobicContact CB-CB 4.39Å; E162-H179 HydrophobicContact CG-CB 4.38Å; E162-H179 PolarHBondContact O-N 3.25Å; T164-H179 PolarHBondContact OG1-NE2 2.74Å; H179-F222 PolarHBondContact O-N 3.1Å; H179-D223 PolarHBondContact O-N 2.67Å; H179-D223 VanDerWaalsContact O-N 3.08Å
180Q90Very high81.1Confident49 Ų4960.1 Ų60.123%0.22930%0.302CS..EExtended strand (participates in β ladder)trans-147.8153.9-174.752.6173.3-26.100112.7E162 V220 I221 W276E162-Q180 HydrophobicContact CB-CG 3.92Å; E162-Q180 PolarHBondContact N-O 3.44Å; E162-Q180 VanDerWaalsContact OE2-CG 3.25Å; E162-Q180 WeakPolarHBondContact OE2-CG 3.18Å; E162-Q180 PolarHBondContact OE2-NE2 3.46Å; Q180-V220 CarbonylContact C-O 3.59Å; Q180-V220 WeakPolarHBondContact CA-O 3.36Å; Q180-V220 WeakPolarHBondContact CB-O 3.07Å; Q180-I221 HydrophobicContact CB-CG1 4.42Å; Q180-W276 HydrophobicContact CG-CH2 3.66Å; Q180-W276 HydrophobicContact CG-CZ2 4.13Å
181G88.1Confident79.6Confident0 Ų062.8 Ų62.80%031%0.308CS..EExtended strand (participates in β ladder)trans-116.9147.816900000111.9Q160 T219 V220Q160-G181 CarbonylContact O-C 3.31Å; Q160-G181 VanDerWaalsContact O-CA 3.29Å; Q160-G181 WeakPolarHBondContact O-CA 3.43Å; G181-T219 WeakPolarHBondContact O-CA 3.34Å; G181-V220 PolarHBondContact N-O 3.37Å; G181-V220 PolarHBondContact O-N 2.82Å
182K83.8Confident78.4Confident72 Ų7255.6 Ų55.631%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-132.6140.8177.7-71.4175.8-176.7151.70110.4G159 Q160 L184 F218 T219 W276G159-K182 CarbonylContact C-O 3.49Å; G159-K182 WeakPolarHBondContact CA-O 3.41Å; Q160-K182 PolarHBondContact N-O 2.99Å; Q160-K182 PolarHBondContact O-N 2.99Å; K182-L184 PolarHBondContact O-N 3.48Å; K182-L184 VanDerWaalsContact O-N 3.16Å; K182-F218 CarbonylContact C-O 3.59Å; K182-T219 HydrophobicContact CG-CG2 4.16Å; K182-W276 HydrophobicContact CB-CZ3 4.25Å; K182-W276 HydrophobicContact CD-CH2 3.52Å; K182-W276 HydrophobicContact CD-CZ2 4.43Å; K182-W276 HydrophobicContact CD-CZ3 3.74Å; K182-W276 VanDerWaalsContact CE-CH2 3.41Å; K182-W276 HydrophobicContact CG-CH2 3.98Å; K182-W276 HydrophobicContact CG-CZ3 3.96Å; K182-W276 VanDerWaalsContact NZ-CZ2 3.27Å
183D77.8Confident77.3Confident70 Ų7056.2 Ų56.237%0.37429%0.291SS..SBendtrans51.631.5-179.9-44-45.5000113.2V158 G159 L185 F218V158-D183 CarbonylContact C-O 3.53Å; V158-D183 VanDerWaalsContact O-O 3.05Å; G159-D183 WeakPolarHBondContact CA-O 3.3Å; G159-D183 PolarHBondContact N-O 3.43Å; D183-L185 PolarHBondContact O-N 2.87Å; D183-L185 VanDerWaalsContact O-N 3.07Å; D183-F218 WeakPolarHBondContact CA-O 3.42Å; D183-F218 HydrophobicContact CB-CZ 4.33Å; D183-F218 PolarHBondContact N-O 3.49Å; D183-F218 WeakPolarHBondContact OD1-CE1 3.43Å; D183-F218 WeakPolarHBondContact OD1-CZ 3.38Å
184L77.3Confident76.8Confident2 Ų254.3 Ų54.31%0.0128%0.281CS..  trans-62.2-17.8-166.6-66.3-179.2000115.6V158 K182 I197 V220 F222 L279V158-L184 CarbonylContact O-C 3.46Å; V158-L184 VanDerWaalsContact O-CA 3.25Å; V158-L184 WeakPolarHBondContact O-CA 3.37Å; K182-L184 PolarHBondContact O-N 3.48Å; K182-L184 VanDerWaalsContact O-N 3.16Å; L184-I197 HydrophobicContact CD1-CD1 4.39Å; L184-V220 HydrophobicContact CD1-CB 4.26Å; L184-V220 HydrophobicContact CD1-CG2 3.93Å; L184-F222 HydrophobicContact CD1-CE2 4.14Å; L184-F222 HydrophobicContact CD1-CZ 3.99Å; L184-L279 HydrophobicContact CD2-CD1 3.47Å; L184-L279 VanDerWaalsContact CD2-CD1 3.47Å
185L71.3Confident76.5Confident11 Ų1154.4 Ų54.46%0.05828%0.282CS..SBendtrans-141.3137-176.9-80.7152.8000108D183 K187 F192 C195 A217 A256D183-L185 PolarHBondContact O-N 2.87Å; D183-L185 VanDerWaalsContact O-N 3.07Å; L185-K187 PolarHBondContact O-N 3.21Å; L185-F192 HydrophobicContact CB-CD2 4.28Å; L185-F192 HydrophobicContact CD1-CB 4.2Å; L185-F192 HydrophobicContact CD1-CD2 4.27Å; L185-F192 HydrophobicContact CD1-CG 4.13Å; L185-F192 HydrophobicContact CD2-CD1 4.37Å; L185-F192 HydrophobicContact CD2-CD2 3.83Å; L185-F192 HydrophobicContact CD2-CE1 4.21Å; L185-F192 HydrophobicContact CD2-CE2 3.62Å; L185-F192 HydrophobicContact CD2-CG 4.2Å; L185-F192 HydrophobicContact CD2-CZ 3.84Å; L185-F192 HydrophobicContact CG-CD2 4.35Å; L185-C195 HydrophobicContact CD1-CB 3.68Å; L185-A217 HydrophobicContact CB-CB 4.29Å; L185-A217 HydrophobicContact CD1-CB 3.49Å; L185-A217 VanDerWaalsContact CD1-CB 3.49Å; L185-A217 HydrophobicContact CG-CB 4.5Å; L185-A256 HydrophobicContact CD2-CB 3.47Å; L185-A256 VanDerWaalsContact CD2-CB 3.47Å; L185-A256 HydrophobicContact CG-CB 4.02Å
186E62.3Low76.3Confident50 Ų5054.3 Ų54.323%0.23428%0.281CS..  trans-67.3130179.7-78.7-175152.400110.4V158 E188 E189 K284 S399V158-E186 HydrophobicContact CG1-CG 4.25Å; E186-E188 PolarHBondContact O-N 3.38Å; E186-E189 PolarHBondContact O-N 3.31Å; E186-K284 IonicContact OE2-NZ 2.6Å; E186-K284 PolarHBondContact OE2-NZ 2.89Å; E186-S399 WeakPolarHBondContact OE1-CB 3.37Å; E186-S399 PolarHBondContact OE1-OG 3.02Å
187K52.1Low76.2Confident182 Ų18254.4 Ų54.479%0.79128%0.282SS*.THydrogen-bonded Turntrans-62.7-12.5-174.9-170.7179174.2-171.40114.6L185 F218L185-K187 PolarHBondContact O-N 3.21Å; K187-F218 HydrophobicContact CB-CE2 4.26Å
188E52Low76.1Confident174 Ų17457.5 Ų57.581%0.81329%0.291SS*.THydrogen-bonded Turntrans-97.2-16.2-174.9-58.5-165.5154.900113.7E186 G190E186-E188 PolarHBondContact O-N 3.38Å; E188-G190 PolarHBondContact O-N 2.81Å
189E50.4Low76Confident116 Ų11657.5 Ų57.554%0.54229%0.291SS..SBendtrans-96.968.2-179.3-72-17015500112.5E186 F192E186-E189 PolarHBondContact O-N 3.31Å; E189-F192 HydrophobicContact CB-CE2 4.35Å; E189-F192 WeakPolarHBondContact O-CD2 3.25Å; E189-F192 WeakPolarHBondContact O-CE2 3.16Å
190G55.2Low76.1Confident61 Ų6155 Ų5563%0.62928%0.28SS*.  trans76162.9168.400000116.4E188 F192E188-G190 PolarHBondContact O-N 2.81Å; G190-F192 PolarHBondContact O-N 2.89Å
191D60.5Low76.2Confident161 Ų16152.9 Ų52.986%0.86127%0.271SS*.  trans-74.2103.1167-87.1-32.2000108.3P193D191-P193 WeakPolarHBondContact O-CD 3.34Å
192F67.3Low75.9Confident26 Ų2653.7 Ų53.711%0.11428%0.279CS..  trans-80.2103165.5-74.5-77.2000109.2L185 E189 G190 G194 A217 I247 I254L185-F192 HydrophobicContact CB-CD2 4.28Å; L185-F192 HydrophobicContact CD1-CB 4.2Å; L185-F192 HydrophobicContact CD1-CD2 4.27Å; L185-F192 HydrophobicContact CD1-CG 4.13Å; L185-F192 HydrophobicContact CD2-CD1 4.37Å; L185-F192 HydrophobicContact CD2-CD2 3.83Å; L185-F192 HydrophobicContact CD2-CE1 4.21Å; L185-F192 HydrophobicContact CD2-CE2 3.62Å; L185-F192 HydrophobicContact CD2-CG 4.2Å; L185-F192 HydrophobicContact CD2-CZ 3.84Å; L185-F192 HydrophobicContact CG-CD2 4.35Å; E189-F192 HydrophobicContact CB-CE2 4.35Å; E189-F192 WeakPolarHBondContact O-CD2 3.25Å; E189-F192 WeakPolarHBondContact O-CE2 3.16Å; G190-F192 PolarHBondContact O-N 2.89Å; F192-G194 PolarHBondContact O-N 2.95Å; F192-A217 HydrophobicContact CB-CB 3.8Å; F192-I247 WeakPolarHBondContact CD1-O 3.27Å; F192-I254 HydrophobicContact CE1-CB 4.1Å; F192-I254 HydrophobicContact CE1-CD1 4.04Å; F192-I254 HydrophobicContact CE1-CG1 4.38Å; F192-I254 HydrophobicContact CZ-CD1 4.44Å
193P71.1Confident75.1Confident73 Ų7355.4 Ų55.447%0.47430%0.297SS..SBendtrans-59.8-12.6177.322.6-37.3000115.1D191 T215 I247D191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-T215 WeakPolarHBondContact O-CA 3.25Å; P193-I247 WeakPolarHBondContact CD-O 3.11Å; P193-I247 WeakPolarHBondContact CG-O 3.35Å
194G82.9Confident74.6Confident1 Ų160.6 Ų60.61%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-172.8177167.100000114.5F192 Q214 I247F192-G194 PolarHBondContact O-N 2.95Å; G194-Q214 CarbonylContact C-O 3.44Å; G194-Q214 WeakPolarHBondContact CA-O 3.12Å; G194-I247 PolarHBondContact O-N 3.44Å
195C88.4Confident74.6Confident3 Ų364.3 Ų64.32%0.0234%0.337CS..EExtended strand (participates in β ladder)trans-145.8163.2175.271.60000112.6L185 Q214 N216 F245L185-C195 HydrophobicContact CD1-CB 3.68Å; C195-Q214 PolarHBondContact N-O 3.26Å; C195-Q214 PolarHBondContact O-N 3.26Å; C195-N216 PolarHBondContact SG-O 3.39Å; C195-F245 CarbonylContact C-O 3.6Å; C195-F245 WeakPolarHBondContact CA-O 3.07Å; C195-F245 VanDerWaalsContact CB-O 3.24Å; C195-F245 WeakPolarHBondContact CB-O 3.42Å
196F92Very high75.2Confident20 Ų2069.8 Ų69.89%0.08836%0.36CS..EExtended strand (participates in β ladder)trans-149.4163.2171.764.3-89.9000111.6V210 V213 F245 I247 N253F196-V210 HydrophobicContact CD2-CG1 3.35Å; F196-V210 HydrophobicContact CE2-CG1 3.73Å; F196-V210 HydrophobicContact CG-CG1 4.2Å; F196-V213 HydrophobicContact CB-CG2 4.42Å; F196-V213 HydrophobicContact CD1-CG2 4.14Å; F196-F245 HydrophobicContact CD1-CB 4.15Å; F196-F245 HydrophobicContact CD2-CB 4.3Å; F196-F245 HydrophobicContact CD2-CD2 4.25Å; F196-F245 HydrophobicContact CE1-CB 3.66Å; F196-F245 HydrophobicContact CE1-CG 4.42Å; F196-F245 HydrophobicContact CE2-CB 3.83Å; F196-F245 AromaticContact CE2-CD2 3.57Å; F196-F245 HydrophobicContact CE2-CD2 3.57Å; F196-F245 HydrophobicContact CE2-CE2 4.42Å; F196-F245 AromaticContact CE2-CG 3.89Å; F196-F245 HydrophobicContact CE2-CG 3.89Å; F196-F245 HydrophobicContact CG-CB 4.46Å; F196-F245 HydrophobicContact CZ-CB 3.49Å; F196-F245 VanDerWaalsContact CZ-CB 3.49Å; F196-F245 AromaticContact CZ-CD2 3.94Å; F196-F245 HydrophobicContact CZ-CD2 3.94Å; F196-F245 AromaticContact CZ-CG 3.75Å; F196-F245 HydrophobicContact CZ-CG 3.75Å; F196-F245 PolarHBondContact N-O 2.82Å; F196-F245 PolarHBondContact O-N 2.81Å; F196-I247 HydrophobicContact CD1-CD1 4.08Å; F196-I247 HydrophobicContact CD1-CG1 4.15Å; F196-I247 HydrophobicContact CE1-CD1 4.2Å; F196-I247 HydrophobicContact CE1-CG1 4.06Å; F196-N253 HydrophobicContact CE1-CB 4.48Å; F196-N253 WeakPolarHBondContact CE1-OD1 3.47Å; F196-N253 HydrophobicContact CZ-CB 4.35Å
197I93.1Very high76.4Confident1 Ų170.8 Ų70.81%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-108.7132.5172.6-50.5-59.6000109.4L161 L178 L184 V199 V210 T211 F222 F242 A243 A244L161-I197 HydrophobicContact CD1-CD1 4.27Å; L161-I197 HydrophobicContact CD1-CG1 4.08Å; L161-I197 HydrophobicContact CD2-CG1 4.47Å; L161-I197 HydrophobicContact CD2-CG2 4.11Å; L178-I197 HydrophobicContact CD1-CB 3.95Å; L178-I197 HydrophobicContact CD1-CG1 4.44Å; L178-I197 HydrophobicContact CD1-CG2 3.84Å; L184-I197 HydrophobicContact CD1-CD1 4.39Å; I197-V199 HydrophobicContact CG2-CG2 4.5Å; I197-V210 WeakPolarHBondContact O-CA 3.16Å; I197-T211 HydrophobicContact CB-CG2 3.94Å; I197-T211 PolarHBondContact N-OG1 3.32Å; I197-T211 PolarHBondContact O-N 3.02Å; I197-F222 HydrophobicContact CD1-CE2 4.4Å; I197-F222 HydrophobicContact CD1-CZ 4.15Å; I197-F222 HydrophobicContact CG1-CD2 4.5Å; I197-F222 HydrophobicContact CG1-CE1 4.15Å; I197-F222 HydrophobicContact CG1-CE2 3.79Å; I197-F222 HydrophobicContact CG1-CZ 3.59Å; I197-F242 HydrophobicContact CG2-CB 4.47Å; I197-A243 CarbonylContact C-O 3.56Å; I197-A243 WeakPolarHBondContact CA-O 3.06Å; I197-A244 HydrophobicContact CD1-CB 3.57Å
198R93.9Very high78.3Confident82 Ų8263.2 Ų63.231%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-99.8131.9165.3-177.4174.183.4-165.413.2109.4E205 V210 A243 F245R198-E205 IonicContact NH2-OE1 2.69Å; R198-E205 PolarHBondContact NH2-OE1 2.78Å; R198-E205 VanDerWaalsContact NH2-OE1 3.13Å; R198-V210 HydrophobicContact CG-CG2 4.22Å; R198-A243 HydrophobicContact CB-CB 4.47Å; R198-A243 PolarHBondContact N-O 3.07Å; R198-A243 PolarHBondContact O-N 3.49Å; R198-F245 HydrophobicContact CB-CD2 4.39Å; R198-F245 HydrophobicContact CB-CE2 3.98Å
199V95Very high80.2Confident0 Ų055.6 Ų55.60%031%0.309CS..EExtended strand (participates in β ladder)trans-107.8128.4172.9-170.90000108.6I176 L178 I197 V208 G209 F226 L240 R241 F242I176-V199 HydrophobicContact CD1-CG1 4.41Å; I176-V199 HydrophobicContact CG2-CG1 4.38Å; L178-V199 HydrophobicContact CD1-CG2 3.89Å; I197-V199 HydrophobicContact CG2-CG2 4.5Å; V199-V208 HydrophobicContact CB-CB 4.08Å; V199-V208 HydrophobicContact CB-CG1 4.28Å; V199-V208 HydrophobicContact CG1-CB 3.92Å; V199-V208 HydrophobicContact CG1-CG1 4.03Å; V199-V208 HydrophobicContact CG1-CG2 4.34Å; V199-V208 WeakPolarHBondContact O-CB 3.24Å; V199-V208 PolarHBondContact O-N 2.86Å; V199-G209 PolarHBondContact N-O 2.94Å; V199-G209 PolarHBondContact O-N 3.3Å; V199-F226 HydrophobicContact CG2-CD2 4.18Å; V199-F226 HydrophobicContact CG2-CE2 4.2Å; V199-L240 HydrophobicContact CG1-CD2 4.05Å; V199-R241 CarbonylContact C-O 3.54Å; V199-R241 WeakPolarHBondContact CA-O 2.96Å; V199-F242 HydrophobicContact CG1-CD1 4.32Å; V199-F242 HydrophobicContact CG1-CE1 4.12Å; V199-F242 HydrophobicContact CG2-CD1 4.02Å; V199-F242 HydrophobicContact CG2-CE1 4.27Å
200S93.9Very high82.3Confident2 Ų253.4 Ų53.41%0.01430%0.304CS..EExtended strand (participates in β ladder)trans-135.8162.617352.80000112.2F206 R241S200-F206 CarbonylContact C-O 3.32Å; S200-F206 WeakPolarHBondContact CA-O 3.45Å; S200-F206 VanDerWaalsContact CB-O 3.3Å; S200-F206 WeakPolarHBondContact CB-O 3.36Å; S200-R241 PolarHBondContact N-O 2.85Å; S200-R241 PolarHBondContact O-N 1.84Å
201L91.6Very high84.1Confident4 Ų450.9 Ų50.92%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-112.3117.5176.7-82.5166.5000109.6E205 F206 V208 V228 M230 Y238 S239 L240 L263L201-E205 CarbonylContact O-C 3.27Å; L201-E205 VanDerWaalsContact O-CA 3.25Å; L201-E205 WeakPolarHBondContact O-CA 3.31Å; L201-E205 PolarHBondContact O-N 2.92Å; L201-F206 HydrophobicContact CB-CB 4.38Å; L201-F206 PolarHBondContact N-O 3.13Å; L201-F206 PolarHBondContact O-N 2.89Å; L201-V208 HydrophobicContact CB-CG2 4.29Å; L201-V208 HydrophobicContact CD1-CG2 3.63Å; L201-V208 HydrophobicContact CG-CG2 3.62Å; L201-V228 HydrophobicContact CD1-CB 4.44Å; L201-V228 HydrophobicContact CD1-CG1 3.85Å; L201-V228 HydrophobicContact CD1-CG2 4.39Å; L201-M230 HydrophobicContact CD1-CE 3.77Å; L201-M230 HydrophobicContact CD2-CE 3.77Å; L201-M230 HydrophobicContact CG-CE 4.45Å; L201-Y238 HydrophobicContact CB-CD1 4.05Å; L201-Y238 HydrophobicContact CD2-CD1 4.29Å; L201-S239 CarbonylContact C-O 3.53Å; L201-S239 WeakPolarHBondContact CA-O 3.4Å; L201-L240 HydrophobicContact CD2-CD2 3.52Å; L201-L240 HydrophobicContact CD2-CG 3.96Å; L201-L240 HydrophobicContact CG-CD2 3.94Å; L201-L263 HydrophobicContact CD2-CD1 4.22Å
202G82.9Confident85.6Confident17 Ų1752.2 Ų52.218%0.17527%0.269CS..EExtended strand (participates in β ladder)trans-84.6152168.100000110.9Y238 S239G202-Y238 WeakPolarHBondContact O-CA 2.94Å; G202-Y238 WeakPolarHBondContact O-CD1 3.26Å; G202-S239 PolarHBondContact N-O 3.29Å; G202-S239 PolarHBondContact O-N 3.35Å; G202-S239 VanDerWaalsContact O-N 3.08Å
203P65.8Low86.7Confident107 Ų10754.9 Ų54.970%0.69529%0.287SS*.THydrogen-bonded Turncis-90-242331.2-35.7000117E205P203-E205 PolarHBondContact O-N 2.88Å
204E68.6Low87.4Confident179 Ų17954.2 Ų54.284%0.83628%0.278SS*.THydrogen-bonded Turntrans-8412.2-175.8-62-165.7148.700114.7F206E204-F206 VanDerWaalsContact C-N 3.31Å; E204-F206 PolarHBondContact O-N 2.78Å
205E75.6Confident87.1Confident81 Ų8160.1 Ų60.138%0.37931%0.314SS..THydrogen-bonded Turntrans45.347-174.2-158167.6-163.800114.3R198 L201 P203 S207 R241R198-E205 IonicContact NH2-OE1 2.69Å; R198-E205 PolarHBondContact NH2-OE1 2.78Å; R198-E205 VanDerWaalsContact NH2-OE1 3.13Å; L201-E205 CarbonylContact O-C 3.27Å; L201-E205 VanDerWaalsContact O-CA 3.25Å; L201-E205 WeakPolarHBondContact O-CA 3.31Å; L201-E205 PolarHBondContact O-N 2.92Å; P203-E205 PolarHBondContact O-N 2.88Å; E205-S207 PolarHBondContact O-N 2.75Å; E205-R241 VanDerWaalsContact CD-NH1 3.27Å; E205-R241 IonicContact OE1-CZ 2.71Å; E205-R241 IonicContact OE1-NH1 3.75Å; E205-R241 PolarHBondContact OE1-NH1 2.9Å; E205-R241 IonicContact OE2-NH1 3.13Å; E205-R241 PolarHBondContact OE2-NH1 2.87Å
206F85.2Confident86.2Confident126 Ų12664.1 Ų64.155%0.55334%0.335SS*.EExtended strand (participates in β ladder)trans-63.2122.1174.1-179.9-93.9000110.6S200 L201 E204 V208S200-F206 CarbonylContact C-O 3.32Å; S200-F206 WeakPolarHBondContact CA-O 3.45Å; S200-F206 VanDerWaalsContact CB-O 3.3Å; S200-F206 WeakPolarHBondContact CB-O 3.36Å; L201-F206 HydrophobicContact CB-CB 4.38Å; L201-F206 PolarHBondContact N-O 3.13Å; L201-F206 PolarHBondContact O-N 2.89Å; E204-F206 VanDerWaalsContact C-N 3.31Å; E204-F206 PolarHBondContact O-N 2.78Å; F206-V208 PolarHBondContact O-N 2.79Å
207S87.9Confident84.9Confident70 Ų7063.9 Ų63.949%0.4934%0.337SS..EExtended strand (participates in β ladder)trans-72.5111.8179.3178.90000111.1E205E205-S207 PolarHBondContact O-N 2.75Å
208V91.4Very high83.6Confident24 Ų2467.7 Ų67.715%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-76.4-42.6175.5169.30000111.1I176 V199 L201 F206 F226 V228I176-V208 HydrophobicContact CD1-CG1 3.88Å; V199-V208 HydrophobicContact CB-CB 4.08Å; V199-V208 HydrophobicContact CB-CG1 4.28Å; V199-V208 HydrophobicContact CG1-CB 3.92Å; V199-V208 HydrophobicContact CG1-CG1 4.03Å; V199-V208 HydrophobicContact CG1-CG2 4.34Å; V199-V208 WeakPolarHBondContact O-CB 3.24Å; V199-V208 PolarHBondContact O-N 2.86Å; L201-V208 HydrophobicContact CB-CG2 4.29Å; L201-V208 HydrophobicContact CD1-CG2 3.63Å; L201-V208 HydrophobicContact CG-CG2 3.62Å; F206-V208 PolarHBondContact O-N 2.79Å; V208-F226 HydrophobicContact CG1-CB 3.74Å; V208-F226 HydrophobicContact CG1-CG 4.32Å; V208-V228 HydrophobicContact CB-CG2 4.06Å; V208-V228 HydrophobicContact CG1-CG2 3.39Å; V208-V228 HydrophobicContact CG2-CG2 3.72Å
209G91.9Very high82.8Confident13 Ų1366.8 Ų66.813%0.13436%0.357CS..EExtended strand (participates in β ladder)trans174.6169.6-176.200000113.3V199V199-G209 PolarHBondContact N-O 2.94Å; V199-G209 PolarHBondContact O-N 3.3Å
210V93.9Very high82.3Confident70 Ų7067.1 Ų67.142%0.42436%0.359SS..EExtended strand (participates in β ladder)trans-133.1133.2174.3-168.70000106.6F196 I197 R198F196-V210 HydrophobicContact CD2-CG1 3.35Å; F196-V210 HydrophobicContact CE2-CG1 3.73Å; F196-V210 HydrophobicContact CG-CG1 4.2Å; I197-V210 WeakPolarHBondContact O-CA 3.16Å; R198-V210 HydrophobicContact CG-CG2 4.22Å
211T94.2Very high82.1Confident8 Ų871.9 Ų71.95%0.04938%0.383CS..PPolyproline II helixtrans-66.9165.4173.966.40000110.6L178 I197 F222 E224 F226L178-T211 HydrophobicContact CD1-CG2 3.59Å; I197-T211 HydrophobicContact CB-CG2 3.94Å; I197-T211 PolarHBondContact N-OG1 3.32Å; I197-T211 PolarHBondContact O-N 3.02Å; T211-F222 HydrophobicContact CG2-CB 4.46Å; T211-F222 HydrophobicContact CG2-CD1 3.82Å; T211-F222 HydrophobicContact CG2-CE1 4.34Å; T211-F222 HydrophobicContact CG2-CG 4.21Å; T211-E224 WeakPolarHBondContact CB-OE1 3.44Å; T211-F226 HydrophobicContact CG2-CE2 4.22Å; T211-F226 HydrophobicContact CG2-CZ 4.18Å
212R91.3Very high82Confident190 Ų19072.4 Ų72.472%0.71739%0.385SS*.PPolyproline II helixtrans-60148.7163.4-61.5175-173.8-173.62.1109.7E224R212-E224 WeakPolarHBondContact CB-OE1 3.49Å; R212-E224 WeakPolarHBondContact CG-OE1 3.41Å; R212-E224 PolarHBondContact N-OE1 3.23Å; R212-E224 PolarHBondContact N-OE2 2.89Å
213V89.5Confident82.4Confident81 Ų8176.8 Ų76.849%0.49141%0.405SS..PPolyproline II helixtrans-70.1128.2170178.10000108.3F196 I247F196-V213 HydrophobicContact CB-CG2 4.42Å; F196-V213 HydrophobicContact CD1-CG2 4.14Å; V213-I247 HydrophobicContact CB-CD1 4.33Å; V213-I247 HydrophobicContact CG1-CD1 3.54Å; V213-I247 HydrophobicContact CG2-CD1 3.78Å
214Q87.2Confident83.8Confident59 Ų5973.2 Ų73.228%0.27638%0.379SS..BIsolated β-bridgetrans-110.5134.6179.2-65.8-72.6-2.300108.9G194 C195 N216 V220 I221 F222G194-Q214 CarbonylContact C-O 3.44Å; G194-Q214 WeakPolarHBondContact CA-O 3.12Å; C195-Q214 PolarHBondContact N-O 3.26Å; C195-Q214 PolarHBondContact O-N 3.26Å; Q214-N216 PolarHBondContact O-N 3.36Å; Q214-V220 HydrophobicContact CB-CG1 3.46Å; Q214-V220 VanDerWaalsContact CB-CG1 3.46Å; Q214-V220 HydrophobicContact CG-CG1 3.46Å; Q214-V220 VanDerWaalsContact CG-CG1 3.46Å; Q214-I221 PolarHBondContact NE2-O 2.94Å; Q214-F222 HydrophobicContact CG-CD1 4.06Å; Q214-F222 HydrophobicContact CG-CE1 3.94Å
215T75.6Confident85.1Confident125 Ų12570.6 Ų70.677%0.76736%0.361SS*.SBendtrans-81.65.4-171.557.60000114.7P193P193-T215 WeakPolarHBondContact O-CA 3.25Å
216N69.2Low86.1Confident87 Ų8768.1 Ų68.147%0.46535%0.349SS..  trans-118.1127.8170.4-177.3-5.2000107.2C195 Q214 F218 T219 V220C195-N216 PolarHBondContact SG-O 3.39Å; Q214-N216 PolarHBondContact O-N 3.36Å; N216-F218 PolarHBondContact OD1-N 3.04Å; N216-T219 PolarHBondContact ND2-O 3.44Å; N216-V220 WeakPolarHBondContact O-CG2 3.49Å
217A64.3Low86.5Confident15 Ų1565.1 Ų65.112%0.12434%0.344CS..SBendtrans-87.8-15.6-178.100000113.9L185 F192L185-A217 HydrophobicContact CB-CB 4.29Å; L185-A217 HydrophobicContact CD1-CB 3.49Å; L185-A217 VanDerWaalsContact CD1-CB 3.49Å; L185-A217 HydrophobicContact CG-CB 4.5Å; F192-A217 HydrophobicContact CB-CB 3.8Å
218F67.5Low86.8Confident82 Ų8262.3 Ų62.336%0.3632%0.324SS..SBendtrans-101.3-50.1-164.6-162.4-95.2000113.6K182 D183 K187 N216K182-F218 CarbonylContact C-O 3.59Å; D183-F218 WeakPolarHBondContact CA-O 3.42Å; D183-F218 HydrophobicContact CB-CZ 4.33Å; D183-F218 PolarHBondContact N-O 3.49Å; D183-F218 WeakPolarHBondContact OD1-CE1 3.43Å; D183-F218 WeakPolarHBondContact OD1-CZ 3.38Å; K187-F218 HydrophobicContact CB-CE2 4.26Å; N216-F218 PolarHBondContact OD1-N 3.04Å
219T76.9Confident86.9Confident63 Ų6366.3 Ų66.339%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-136.3124.3174.9-59.60000109.2G181 K182 N216G181-T219 WeakPolarHBondContact O-CA 3.34Å; K182-T219 HydrophobicContact CG-CG2 4.16Å; N216-T219 PolarHBondContact ND2-O 3.44Å
220V84.4Confident86.8Confident6 Ų666.3 Ų66.34%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-139.5135.2-159.3-170.30000109.9Q180 G181 L184 Q214 N216 F222Q180-V220 CarbonylContact C-O 3.59Å; Q180-V220 WeakPolarHBondContact CA-O 3.36Å; Q180-V220 WeakPolarHBondContact CB-O 3.07Å; G181-V220 PolarHBondContact N-O 3.37Å; G181-V220 PolarHBondContact O-N 2.82Å; L184-V220 HydrophobicContact CD1-CB 4.26Å; L184-V220 HydrophobicContact CD1-CG2 3.93Å; Q214-V220 HydrophobicContact CB-CG1 3.46Å; Q214-V220 VanDerWaalsContact CB-CG1 3.46Å; Q214-V220 HydrophobicContact CG-CG1 3.46Å; Q214-V220 VanDerWaalsContact CG-CG1 3.46Å; N216-V220 WeakPolarHBondContact O-CG2 3.49Å; V220-F222 HydrophobicContact CB-CE2 4.05Å; V220-F222 HydrophobicContact CB-CZ 3.95Å; V220-F222 HydrophobicContact CG1-CD1 4.1Å; V220-F222 HydrophobicContact CG1-CD2 4.35Å; V220-F222 HydrophobicContact CG1-CE1 3.62Å; V220-F222 HydrophobicContact CG1-CE2 3.9Å; V220-F222 HydrophobicContact CG1-CG 4.45Å; V220-F222 HydrophobicContact CG1-CZ 3.5Å; V220-F222 VanDerWaalsContact CG1-CZ 3.5Å
221I89Confident86.7Confident103 Ų10367.6 Ų67.653%0.52835%0.352SS..EExtended strand (participates in β ladder)trans-106.9124.2169.5-58.5172.6000106.5Q180 Q214 D223Q180-I221 HydrophobicContact CB-CG1 4.42Å; Q214-I221 PolarHBondContact NE2-O 2.94Å; I221-D223 HydrophobicContact CG2-CB 4.4Å; I221-D223 VanDerWaalsContact CG2-CG 3.5Å; I221-D223 VanDerWaalsContact CG2-OD2 3.29Å; I221-D223 WeakPolarHBondContact CG2-OD2 3.44Å
222F90.1Very high86.4Confident14 Ų1471.8 Ų71.86%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-98.2-53.5175.8-60.6-75.2000109.6L161 L178 H179 L184 I197 T211 Q214 V220 E224L161-F222 HydrophobicContact CD1-CD2 4.35Å; L161-F222 HydrophobicContact CD1-CE2 4.07Å; L178-F222 HydrophobicContact CB-CB 4.33Å; H179-F222 PolarHBondContact O-N 3.1Å; L184-F222 HydrophobicContact CD1-CE2 4.14Å; L184-F222 HydrophobicContact CD1-CZ 3.99Å; I197-F222 HydrophobicContact CD1-CE2 4.4Å; I197-F222 HydrophobicContact CD1-CZ 4.15Å; I197-F222 HydrophobicContact CG1-CD2 4.5Å; I197-F222 HydrophobicContact CG1-CE1 4.15Å; I197-F222 HydrophobicContact CG1-CE2 3.79Å; I197-F222 HydrophobicContact CG1-CZ 3.59Å; T211-F222 HydrophobicContact CG2-CB 4.46Å; T211-F222 HydrophobicContact CG2-CD1 3.82Å; T211-F222 HydrophobicContact CG2-CE1 4.34Å; T211-F222 HydrophobicContact CG2-CG 4.21Å; Q214-F222 HydrophobicContact CG-CD1 4.06Å; Q214-F222 HydrophobicContact CG-CE1 3.94Å; V220-F222 HydrophobicContact CB-CE2 4.05Å; V220-F222 HydrophobicContact CB-CZ 3.95Å; V220-F222 HydrophobicContact CG1-CD1 4.1Å; V220-F222 HydrophobicContact CG1-CD2 4.35Å; V220-F222 HydrophobicContact CG1-CE1 3.62Å; V220-F222 HydrophobicContact CG1-CE2 3.9Å; V220-F222 HydrophobicContact CG1-CG 4.45Å; V220-F222 HydrophobicContact CG1-CZ 3.5Å; V220-F222 VanDerWaalsContact CG1-CZ 3.5Å; F222-E224 HydrophobicContact CB-CG 4.35Å; F222-E224 WeakPolarHBondContact O-CG 3.23Å; F222-E224 PolarHBondContact O-N 2.8Å
223D92Very high86.2Confident109 Ų10967.1 Ų67.158%0.58337%0.367SS*.EExtended strand (participates in β ladder)trans47.641.5-170.8-65.6-21000112.9L178 H179 I221L178-D223 CarbonylContact O-C 3.54Å; L178-D223 VanDerWaalsContact O-CA 3.29Å; L178-D223 WeakPolarHBondContact O-CA 3.46Å; L178-D223 PolarHBondContact O-N 3.17Å; H179-D223 PolarHBondContact O-N 2.67Å; H179-D223 VanDerWaalsContact O-N 3.08Å; I221-D223 HydrophobicContact CG2-CB 4.4Å; I221-D223 VanDerWaalsContact CG2-CG 3.5Å; I221-D223 VanDerWaalsContact CG2-OD2 3.29Å; I221-D223 WeakPolarHBondContact CG2-OD2 3.44Å
224E95.1Very high86.1Confident32 Ų3264 Ų6415%0.1535%0.35CS..EExtended strand (participates in β ladder)trans-106.6133.4-176.8-63.5-166.9-131.700111.9T177 L178 T211 R212 F222 F226T177-E224 WeakPolarHBondContact CA-O 3.5Å; L178-E224 PolarHBondContact N-O 3.03Å; L178-E224 PolarHBondContact O-N 3.35Å; T211-E224 WeakPolarHBondContact CB-OE1 3.44Å; R212-E224 WeakPolarHBondContact CB-OE1 3.49Å; R212-E224 WeakPolarHBondContact CG-OE1 3.41Å; R212-E224 PolarHBondContact N-OE1 3.23Å; R212-E224 PolarHBondContact N-OE2 2.89Å; F222-E224 HydrophobicContact CB-CG 4.35Å; F222-E224 WeakPolarHBondContact O-CG 3.23Å; F222-E224 PolarHBondContact O-N 2.8Å; E224-F226 HydrophobicContact CB-CE2 4.28Å; E224-F226 HydrophobicContact CB-CZ 4.31Å
225R95.3Very high86Confident124 Ų12461.7 Ų61.747%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-114.9116.4179.5-176.3177.9178.9120.8-6.5111.3E166 H175 I176 T177E166-R225 IonicContact OE2-CZ 3.22Å; E166-R225 IonicContact OE2-NH1 2.75Å; E166-R225 PolarHBondContact OE2-NH1 3.28Å; E166-R225 IonicContact OE2-NH2 2.8Å; E166-R225 PolarHBondContact OE2-NH2 2.88Å; H175-R225 VanDerWaalsContact CB-NH2 3.34Å; H175-R225 PolarHBondContact CD2-NH2 3.08Å; I176-R225 CarbonylContact O-C 3.12Å; I176-R225 WeakPolarHBondContact O-CA 3.29Å; T177-R225 HydrophobicContact CG2-CB 4.42Å
226F95.7Very high86.5Confident29 Ų2961.5 Ų61.513%0.12733%0.334CS..EExtended strand (participates in β ladder)trans-94.5155.5169.1-53.6-77.2000110.2I176 L178 V199 V208 T211 E224I176-F226 HydrophobicContact CB-CB 4.44Å; I176-F226 PolarHBondContact N-O 3.32Å; I176-F226 PolarHBondContact O-N 3.31Å; L178-F226 HydrophobicContact CD1-CE2 4.03Å; L178-F226 HydrophobicContact CG-CE2 4.4Å; V199-F226 HydrophobicContact CG2-CD2 4.18Å; V199-F226 HydrophobicContact CG2-CE2 4.2Å; V208-F226 HydrophobicContact CG1-CB 3.74Å; V208-F226 HydrophobicContact CG1-CG 4.32Å; T211-F226 HydrophobicContact CG2-CE2 4.22Å; T211-F226 HydrophobicContact CG2-CZ 4.18Å; E224-F226 HydrophobicContact CB-CE2 4.28Å; E224-F226 HydrophobicContact CB-CZ 4.31Å
227S94.6Very high87.4Confident64 Ų6464.6 Ų64.645%0.44835%0.345SS..EExtended strand (participates in β ladder)trans-143.7129.3179.3-56.70000109.5L174 H175L174-S227 WeakPolarHBondContact O-CA 3.49Å; H175-S227 PolarHBondContact CE1-OG 3Å; H175-S227 PolarHBondContact ND1-OG 3.31Å
228V93.8Very high88.6Confident10 Ų1067.5 Ų67.56%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-127.7133.2-174.9-168.60000109.7L173 L174 I176 L201 V208 M230L173-V228 WeakPolarHBondContact CA-O 3.23Å; L174-V228 PolarHBondContact N-O 3.27Å; L174-V228 PolarHBondContact O-N 2.88Å; I176-V228 HydrophobicContact CD1-CG2 4.22Å; L201-V228 HydrophobicContact CD1-CB 4.44Å; L201-V228 HydrophobicContact CD1-CG1 3.85Å; L201-V228 HydrophobicContact CD1-CG2 4.39Å; V208-V228 HydrophobicContact CB-CG2 4.06Å; V208-V228 HydrophobicContact CG1-CG2 3.39Å; V208-V228 HydrophobicContact CG2-CG2 3.72Å; V228-M230 PolarHBondContact O-N 3.48Å
229P93.3Very high89.7Confident108 Ų10864.4 Ų64.470%0.70134%0.342SS*.EExtended strand (participates in β ladder)trans-59.6123.2166.3-20.333.3000110.3Q172 L173Q172-P229 WeakPolarHBondContact O-CA 3.43Å; L173-P229 HydrophobicContact CD2-CG 4.43Å
230M90.6Very high90.4Very high13 Ų1361.4 Ų61.46%0.06432%0.324CS..  trans-152.1124.2-178.5-178165.6-79.900109.4F167 Q172 L174 L201 V228 A234 L235 Y238 L263F167-M230 VanDerWaalsContact CE2-O 3.29Å; F167-M230 WeakPolarHBondContact CE2-O 3.49Å; Q172-M230 CarbonylContact C-O 3.53Å; Q172-M230 VanDerWaalsContact C-O 3.31Å; Q172-M230 WeakPolarHBondContact CA-O 3.31Å; Q172-M230 WeakPolarHBondContact CB-O 3.47Å; Q172-M230 PolarHBondContact O-N 2.91Å; L174-M230 HydrophobicContact CB-CB 4.21Å; L174-M230 HydrophobicContact CB-SD 4.22Å; L174-M230 HydrophobicContact CD2-CE 4.31Å; L174-M230 HydrophobicContact CD2-SD 3.77Å; L201-M230 HydrophobicContact CD1-CE 3.77Å; L201-M230 HydrophobicContact CD2-CE 3.77Å; L201-M230 HydrophobicContact CG-CE 4.45Å; V228-M230 PolarHBondContact O-N 3.48Å; M230-A234 HydrophobicContact CG-CB 4.15Å; M230-L235 HydrophobicContact CG-CD2 4.32Å; M230-L235 HydrophobicContact SD-CD2 3.59Å; M230-L235 VanDerWaalsContact SD-CD2 3.59Å; M230-L235 HydrophobicContact SD-CG 4.39Å; M230-Y238 HydrophobicContact CE-CD1 4.48Å; M230-Y238 HydrophobicContact CE-CD2 4.35Å; M230-Y238 HydrophobicContact CE-CG 4.04Å; M230-L263 HydrophobicContact CE-CD1 3.93Å; M230-L263 HydrophobicContact SD-CD1 3.63Å
231D90.8Very high90.7Very high98 Ų9864.6 Ų64.652%0.52434%0.335SS..  trans-76147.8174.8-70.6-34.8000110.8Q172 S233 A234Q172-D231 VanDerWaalsContact OE1-CA 3.26Å; D231-S233 PolarHBondContact O-N 3.04Å; D231-S233 VanDerWaalsContact O-N 3.16Å; D231-A234 WeakPolarHBondContact O-CA 3.3Å; D231-A234 VanDerWaalsContact O-CB 3.3Å; D231-A234 WeakPolarHBondContact O-CB 3.25Å; D231-A234 PolarHBondContact O-N 3.38Å
232Q87.6Confident90.9Very high95 Ų9559.7 Ų59.744%0.44431%0.31SS..G310 helixtrans-59-31.7-177.1-174.1170.9-17.900113.4F167 A234 L235 T269F167-Q232 HydrophobicContact CE1-CB 3.86Å; F167-Q232 HydrophobicContact CE1-CG 4.01Å; F167-Q232 HydrophobicContact CZ-CB 3.9Å; F167-Q232 HydrophobicContact CZ-CG 4.48Å; Q232-A234 VanDerWaalsContact C-N 3.3Å; Q232-L235 HydrophobicContact CG-CD1 4.22Å; Q232-L235 WeakPolarHBondContact O-CB 3.33Å; Q232-L235 PolarHBondContact O-N 2.78Å; Q232-T269 HydrophobicContact CG-CG2 4Å
233S87.7Confident90.9Very high92 Ų9259.1 Ų59.164%0.64331%0.308SS*.G310 helixtrans-72.3-20.3174.451.50000113.8D231 L235D231-S233 PolarHBondContact O-N 3.04Å; D231-S233 VanDerWaalsContact O-N 3.16Å; S233-L235 VanDerWaalsContact C-N 3.34Å
234A87Confident90.8Very high17 Ų1754.1 Ų54.114%0.1428%0.282CS..G310 helixtrans-78.3-19.2176.800000112.2M230 D231 Q232 D236 E237 Y238M230-A234 HydrophobicContact CG-CB 4.15Å; D231-A234 WeakPolarHBondContact O-CA 3.3Å; D231-A234 VanDerWaalsContact O-CB 3.3Å; D231-A234 WeakPolarHBondContact O-CB 3.25Å; D231-A234 PolarHBondContact O-N 3.38Å; Q232-A234 VanDerWaalsContact C-N 3.3Å; A234-D236 PolarHBondContact O-N 3.02Å; A234-D236 VanDerWaalsContact O-N 3.11Å; A234-E237 PolarHBondContact O-N 2.85Å; A234-Y238 HydrophobicContact CB-CD2 3.94Å; A234-Y238 HydrophobicContact CB-CE2 3.96Å; A234-Y238 VanDerWaalsContact O-CD2 3.31Å; A234-Y238 WeakPolarHBondContact O-CD2 3.06Å; A234-Y238 PolarHBondContact O-N 2.86Å
235L86.1Confident90.5Very high10 Ų1053.8 Ų53.85%0.05228%0.28CS..G310 helixtrans-56.3-29.4177-67.5170.4000112.7F167 M230 Q232 S233 E237 L263 S264 L268 T269F167-L235 HydrophobicContact CD1-CD1 3.97Å; F167-L235 HydrophobicContact CD2-CD1 4.13Å; F167-L235 HydrophobicContact CD2-CD2 4.15Å; F167-L235 HydrophobicContact CE1-CD1 4.04Å; F167-L235 HydrophobicContact CE2-CD1 4.21Å; F167-L235 HydrophobicContact CE2-CD2 4.43Å; F167-L235 HydrophobicContact CE2-CG 4.48Å; F167-L235 HydrophobicContact CG-CD1 4.01Å; F167-L235 HydrophobicContact CZ-CD1 4.18Å; M230-L235 HydrophobicContact CG-CD2 4.32Å; M230-L235 HydrophobicContact SD-CD2 3.59Å; M230-L235 VanDerWaalsContact SD-CD2 3.59Å; M230-L235 HydrophobicContact SD-CG 4.39Å; Q232-L235 HydrophobicContact CG-CD1 4.22Å; Q232-L235 WeakPolarHBondContact O-CB 3.33Å; Q232-L235 PolarHBondContact O-N 2.78Å; S233-L235 VanDerWaalsContact C-N 3.34Å; L235-E237 VanDerWaalsContact C-N 3.34Å; L235-L263 HydrophobicContact CD2-CB 4.32Å; L235-L263 HydrophobicContact CD2-CD1 4.13Å; L235-L263 CarbonylContact O-C 3.54Å; L235-L263 VanDerWaalsContact O-C 3.27Å; L235-L263 WeakPolarHBondContact O-CB 3.46Å; L235-S264 PolarHBondContact O-N 3.14Å; L235-L268 HydrophobicContact CD2-CD1 4.32Å; L235-T269 HydrophobicContact CD1-CG2 4Å
236D86.3Confident90.1Very high121 Ų12147.9 Ų47.965%0.64726%0.257SS*.G310 helixtrans-77.4-18179.1-64.5-28.5000113.5A234A234-D236 PolarHBondContact O-N 3.02Å; A234-D236 VanDerWaalsContact O-N 3.11Å
237E87.1Confident89.5Confident151 Ų15147.8 Ų47.871%0.70626%0.258SS*.THydrogen-bonded Turntrans-102.1-26-173.3-62.7-173.416900113.9A234 L235A234-E237 PolarHBondContact O-N 2.85Å; L235-E237 VanDerWaalsContact C-N 3.34Å
238Y89.7Confident88.9Confident77 Ų7745.6 Ų45.630%0.30224%0.241SC..  trans-99.7142.4-170.4-77-95.8000114.2L201 G202 M230 A234 L263L201-Y238 HydrophobicContact CB-CD1 4.05Å; L201-Y238 HydrophobicContact CD2-CD1 4.29Å; G202-Y238 WeakPolarHBondContact O-CA 2.94Å; G202-Y238 WeakPolarHBondContact O-CD1 3.26Å; M230-Y238 HydrophobicContact CE-CD1 4.48Å; M230-Y238 HydrophobicContact CE-CD2 4.35Å; M230-Y238 HydrophobicContact CE-CG 4.04Å; A234-Y238 HydrophobicContact CB-CD2 3.94Å; A234-Y238 HydrophobicContact CB-CE2 3.96Å; A234-Y238 VanDerWaalsContact O-CD2 3.31Å; A234-Y238 WeakPolarHBondContact O-CD2 3.06Å; A234-Y238 PolarHBondContact O-N 2.86Å; Y238-L263 WeakPolarHBondContact O-CB 3.45Å; Y238-L263 WeakPolarHBondContact O-CG 3.47Å; Y238-L263 PolarHBondContact O-N 2.92Å; Y238-L263 VanDerWaalsContact O-N 3.07Å
239S90.2Very high88.1Confident16 Ų1649.3 Ų49.311%0.11227%0.273CS..EExtended strand (participates in β ladder)trans-104.5135.2167.3-74.70000110.5L201 G202 E260L201-S239 CarbonylContact C-O 3.53Å; L201-S239 WeakPolarHBondContact CA-O 3.4Å; G202-S239 PolarHBondContact N-O 3.29Å; G202-S239 PolarHBondContact O-N 3.35Å; G202-S239 VanDerWaalsContact O-N 3.08Å; S239-E260 WeakPolarHBondContact CB-OE1 3.12Å; S239-E260 PolarHBondContact OG-OE1 3.39Å
240L92.2Very high87.5Confident0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-83132.7162.2-81.8173.9000110.8L165 L174 I176 V199 L201 F242 E260 L261 L263L165-L240 HydrophobicContact CD1-CD1 3.74Å; L165-L240 HydrophobicContact CD2-CD1 3.58Å; L165-L240 HydrophobicContact CG-CD1 4.33Å; L174-L240 HydrophobicContact CD2-CD1 4.21Å; I176-L240 HydrophobicContact CD1-CD1 4.16Å; I176-L240 HydrophobicContact CD1-CD2 3.65Å; I176-L240 HydrophobicContact CG1-CD1 3.92Å; I176-L240 HydrophobicContact CG1-CD2 4.3Å; V199-L240 HydrophobicContact CG1-CD2 4.05Å; L201-L240 HydrophobicContact CD2-CD2 3.52Å; L201-L240 HydrophobicContact CD2-CG 3.96Å; L201-L240 HydrophobicContact CG-CD2 3.94Å; L240-F242 HydrophobicContact CB-CE2 3.82Å; L240-F242 HydrophobicContact CB-CZ 4.07Å; L240-F242 HydrophobicContact CD1-CZ 4.06Å; L240-E260 CarbonylContact O-C 3.6Å; L240-E260 WeakPolarHBondContact O-CA 3.27Å; L240-L261 PolarHBondContact N-O 3.25Å; L240-L261 PolarHBondContact O-N 3.15Å; L240-L263 HydrophobicContact CD1-CD2 3.75Å; L240-L263 HydrophobicContact CG-CD1 4.45Å; L240-L263 HydrophobicContact CG-CD2 4Å; L240-L263 HydrophobicContact CG-CG 4.43Å
241R91.4Very high87Confident73 Ų7357 Ų5728%0.27530%0.303SS..EExtended strand (participates in β ladder)trans-118.9122.2179-174.2179.7-164.5-170.311109.4V199 S200 E205 L258V199-R241 CarbonylContact C-O 3.54Å; V199-R241 WeakPolarHBondContact CA-O 2.96Å; S200-R241 PolarHBondContact N-O 2.85Å; S200-R241 PolarHBondContact O-N 1.84Å; E205-R241 VanDerWaalsContact CD-NH1 3.27Å; E205-R241 IonicContact OE1-CZ 2.71Å; E205-R241 IonicContact OE1-NH1 3.75Å; E205-R241 PolarHBondContact OE1-NH1 2.9Å; E205-R241 IonicContact OE2-NH1 3.13Å; E205-R241 PolarHBondContact OE2-NH1 2.87Å; R241-L258 HydrophobicContact CG-CD1 3.67Å; R241-L258 HydrophobicContact CG-CG 4.36Å; R241-L258 VanDerWaalsContact NE-CD1 3.26Å
242F92.5Very high86.5Confident0 Ų059.1 Ų59.10%030%0.304CS..EExtended strand (participates in β ladder)trans-112112.9177.6-55.5-89.7000108.6L161 V163 L165 I176 L178 I197 V199 L240 L258 A259 L261 L277L161-F242 HydrophobicContact CD2-CB 3.98Å; L161-F242 HydrophobicContact CD2-CD1 4.07Å; L161-F242 HydrophobicContact CD2-CG 4.21Å; V163-F242 HydrophobicContact CG1-CE1 4.24Å; V163-F242 HydrophobicContact CG1-CZ 4.47Å; L165-F242 HydrophobicContact CD2-CZ 4.46Å; I176-F242 HydrophobicContact CG2-CE1 3.89Å; I176-F242 HydrophobicContact CG2-CZ 4.32Å; L178-F242 HydrophobicContact CD2-CD1 3.88Å; L178-F242 HydrophobicContact CD2-CE1 3.75Å; I197-F242 HydrophobicContact CG2-CB 4.47Å; V199-F242 HydrophobicContact CG1-CD1 4.32Å; V199-F242 HydrophobicContact CG1-CE1 4.12Å; V199-F242 HydrophobicContact CG2-CD1 4.02Å; V199-F242 HydrophobicContact CG2-CE1 4.27Å; L240-F242 HydrophobicContact CB-CE2 3.82Å; L240-F242 HydrophobicContact CB-CZ 4.07Å; L240-F242 HydrophobicContact CD1-CZ 4.06Å; F242-L258 CarbonylContact O-C 3.49Å; F242-L258 VanDerWaalsContact O-CA 3.31Å; F242-L258 WeakPolarHBondContact O-CA 3.39Å; F242-A259 HydrophobicContact CB-CB 4.43Å; F242-A259 HydrophobicContact CD2-CB 4.48Å; F242-A259 PolarHBondContact N-O 3.35Å; F242-A259 PolarHBondContact O-N 3.19Å; F242-L261 HydrophobicContact CE2-CB 4.48Å; F242-L277 HydrophobicContact CD2-CD1 3.57Å; F242-L277 HydrophobicContact CE2-CD1 3.53Å; F242-L277 HydrophobicContact CG-CD1 4.34Å; F242-L277 HydrophobicContact CZ-CD1 4.25Å
243A90.5Very high86.4Confident3 Ų359.2 Ų59.23%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-115117.7-17900000110.6I197 R198 F245 G257 L258I197-A243 CarbonylContact C-O 3.56Å; I197-A243 WeakPolarHBondContact CA-O 3.06Å; R198-A243 HydrophobicContact CB-CB 4.47Å; R198-A243 PolarHBondContact N-O 3.07Å; R198-A243 PolarHBondContact O-N 3.49Å; A243-F245 HydrophobicContact CB-CD2 4.41Å; A243-F245 HydrophobicContact CB-CE2 3.62Å; A243-F245 HydrophobicContact CB-CZ 4.21Å; A243-F245 WeakPolarHBondContact O-CD2 3.45Å; A243-G257 CarbonylContact C-O 3.47Å; A243-G257 WeakPolarHBondContact CA-O 3.38Å; A243-L258 HydrophobicContact CB-CD1 3.66Å
244A89.9Confident86Confident3 Ų358.2 Ų58.23%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-86.6135.2173.700000110.7I197 A256 G257 L279I197-A244 HydrophobicContact CD1-CB 3.57Å; A244-A256 HydrophobicContact CB-CB 4.24Å; A244-A256 WeakPolarHBondContact O-CB 3.17Å; A244-A256 PolarHBondContact O-N 2.92Å; A244-G257 PolarHBondContact N-O 3.37Å; A244-G257 PolarHBondContact O-N 3.37Å; A244-L279 HydrophobicContact CB-CD1 3.78Å
245F88.3Confident85.7Confident25 Ų2559 Ų5911%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-125.2130.9176.3-68-91.1000110.1C195 F196 R198 A243 N253 I254C195-F245 CarbonylContact C-O 3.6Å; C195-F245 WeakPolarHBondContact CA-O 3.07Å; C195-F245 VanDerWaalsContact CB-O 3.24Å; C195-F245 WeakPolarHBondContact CB-O 3.42Å; F196-F245 HydrophobicContact CD1-CB 4.15Å; F196-F245 HydrophobicContact CD2-CB 4.3Å; F196-F245 HydrophobicContact CD2-CD2 4.25Å; F196-F245 HydrophobicContact CE1-CB 3.66Å; F196-F245 HydrophobicContact CE1-CG 4.42Å; F196-F245 HydrophobicContact CE2-CB 3.83Å; F196-F245 AromaticContact CE2-CD2 3.57Å; F196-F245 HydrophobicContact CE2-CD2 3.57Å; F196-F245 HydrophobicContact CE2-CE2 4.42Å; F196-F245 AromaticContact CE2-CG 3.89Å; F196-F245 HydrophobicContact CE2-CG 3.89Å; F196-F245 HydrophobicContact CG-CB 4.46Å; F196-F245 HydrophobicContact CZ-CB 3.49Å; F196-F245 VanDerWaalsContact CZ-CB 3.49Å; F196-F245 AromaticContact CZ-CD2 3.94Å; F196-F245 HydrophobicContact CZ-CD2 3.94Å; F196-F245 AromaticContact CZ-CG 3.75Å; F196-F245 HydrophobicContact CZ-CG 3.75Å; F196-F245 PolarHBondContact N-O 2.82Å; F196-F245 PolarHBondContact O-N 2.81Å; R198-F245 HydrophobicContact CB-CD2 4.39Å; R198-F245 HydrophobicContact CB-CE2 3.98Å; A243-F245 HydrophobicContact CB-CD2 4.41Å; A243-F245 HydrophobicContact CB-CE2 3.62Å; A243-F245 HydrophobicContact CB-CZ 4.21Å; A243-F245 WeakPolarHBondContact O-CD2 3.45Å; F245-N253 HydrophobicContact CD1-CB 4.19Å; F245-I254 CarbonylContact C-O 3.48Å; F245-I254 VanDerWaalsContact CA-O 3.27Å; F245-I254 WeakPolarHBondContact CA-O 3.28Å
246G86.7Confident85.4Confident0 Ų059 Ų590%030%0.3CS..EExtended strand (participates in β ladder)trans-87.2146.916200000110.2N253 I254G246-N253 CarbonylContact O-C 3.19Å; G246-I254 PolarHBondContact N-O 2.99Å; G246-I254 PolarHBondContact O-N 2.79Å
247I84.3Confident85.2Confident27 Ų2753.2 Ų53.214%0.13827%0.269CS..EExtended strand (participates in β ladder)trans-104122.6171.3-55.7-176.5000106.9F192 P193 G194 F196 V213 R252F192-I247 WeakPolarHBondContact CD1-O 3.27Å; P193-I247 WeakPolarHBondContact CD-O 3.11Å; P193-I247 WeakPolarHBondContact CG-O 3.35Å; G194-I247 PolarHBondContact O-N 3.44Å; F196-I247 HydrophobicContact CD1-CD1 4.08Å; F196-I247 HydrophobicContact CD1-CG1 4.15Å; F196-I247 HydrophobicContact CE1-CD1 4.2Å; F196-I247 HydrophobicContact CE1-CG1 4.06Å; V213-I247 HydrophobicContact CB-CD1 4.33Å; V213-I247 HydrophobicContact CG1-CD1 3.54Å; V213-I247 HydrophobicContact CG2-CD1 3.78Å; I247-R252 WeakPolarHBondContact CA-O 3.23Å
248D81.4Confident85.2Confident18 Ų1847.3 Ų47.310%0.09624%0.242CC..  trans-82.3178.1178.2758.1000112.8D250 E251 R252 I254D248-D250 PolarHBondContact O-N 2.78Å; D248-D250 WeakPolarHBondContact OD1-CA 3.37Å; D248-D250 WeakPolarHBondContact OD1-CB 3.5Å; D248-D250 PolarHBondContact OD1-N 3.49Å; D248-E251 PolarHBondContact O-N 3.05Å; D248-E251 VanDerWaalsContact O-N 3.08Å; D248-E251 PolarHBondContact OD1-N 3.44Å; D248-R252 PolarHBondContact N-O 3.39Å; D248-R252 WeakPolarHBondContact OD1-CB 3.42Å; D248-R252 PolarHBondContact OD1-N 3.02Å; D248-R252 IonicContact OD1-NE 3.15Å; D248-R252 IonicContact OD2-CZ 2.78Å; D248-R252 IonicContact OD2-NE 3.45Å; D248-R252 PolarHBondContact OD2-NE 2.79Å; D248-R252 IonicContact OD2-NH2 2.66Å; D248-R252 PolarHBondContact OD2-NH2 3.33Å; D248-I254 HydrophobicContact CB-CD1 3.98Å
249A77.6Confident85.1Confident89 Ų8943.9 Ų43.974%0.73623%0.23SC*.THydrogen-bonded Turntrans-66-14178.900000114.4
250D80Confident85Confident110 Ų11048.7 Ų48.759%0.58825%0.251SS*.THydrogen-bonded Turntrans-96.413.4174.9-62-41.8000111.6D248 R252D248-D250 PolarHBondContact O-N 2.78Å; D248-D250 WeakPolarHBondContact OD1-CA 3.37Å; D248-D250 WeakPolarHBondContact OD1-CB 3.5Å; D248-D250 PolarHBondContact OD1-N 3.49Å; D250-R252 HydrophobicContact CB-CG 4.17Å; D250-R252 PolarHBondContact O-N 2.81Å; D250-R252 IonicContact OD2-CZ 3.92Å; D250-R252 IonicContact OD2-NE 2.7Å; D250-R252 IonicContact OD2-NH1 3.16Å; D250-R252 PolarHBondContact OD2-NH1 2.47Å; D250-R252 IonicContact OD2-NH2 3.36Å; D250-R252 PolarHBondContact OD2-NH2 2.91Å
251E79.8Confident84.8Confident173 Ų17350 Ų5081%0.80826%0.257SS*.SBendtrans59.323.7-174.2-58.3-171.4161.800114.8D248D248-E251 PolarHBondContact O-N 3.05Å; D248-E251 VanDerWaalsContact O-N 3.08Å; D248-E251 PolarHBondContact OD1-N 3.44Å
252R81Confident84.6Confident141 Ų14151.7 Ų51.753%0.53227%0.267SS..  trans-89.5138.7177.4-56177.8-62.2-143.2-13.4111.3I247 D248 D250 I254I247-R252 WeakPolarHBondContact CA-O 3.23Å; D248-R252 PolarHBondContact N-O 3.39Å; D248-R252 WeakPolarHBondContact OD1-CB 3.42Å; D248-R252 PolarHBondContact OD1-N 3.02Å; D248-R252 IonicContact OD1-NE 3.15Å; D248-R252 IonicContact OD2-CZ 2.78Å; D248-R252 IonicContact OD2-NE 3.45Å; D248-R252 PolarHBondContact OD2-NE 2.79Å; D248-R252 IonicContact OD2-NH2 2.66Å; D248-R252 PolarHBondContact OD2-NH2 3.33Å; D250-R252 HydrophobicContact CB-CG 4.17Å; D250-R252 PolarHBondContact O-N 2.81Å; D250-R252 IonicContact OD2-CZ 3.92Å; D250-R252 IonicContact OD2-NE 2.7Å; D250-R252 IonicContact OD2-NH1 3.16Å; D250-R252 PolarHBondContact OD2-NH1 2.47Å; D250-R252 IonicContact OD2-NH2 3.36Å; D250-R252 PolarHBondContact OD2-NH2 2.91Å; R252-I254 PolarHBondContact O-N 2.6Å
253N84.9Confident84.4Confident98 Ų9851.8 Ų51.852%0.52427%0.267SS..EExtended strand (participates in β ladder)trans-81109.1175.2-60.7-28.1000110.4F196 F245 G246F196-N253 HydrophobicContact CE1-CB 4.48Å; F196-N253 WeakPolarHBondContact CE1-OD1 3.47Å; F196-N253 HydrophobicContact CZ-CB 4.35Å; F245-N253 HydrophobicContact CD1-CB 4.19Å; G246-N253 CarbonylContact O-C 3.19Å
254I79.4Confident84.2Confident70 Ų7054.2 Ų54.236%0.35928%0.284SS..EExtended strand (participates in β ladder)trans-97123.1174.2-57.1-171.6000108.4F192 F245 G246 D248 R252 A256F192-I254 HydrophobicContact CE1-CB 4.1Å; F192-I254 HydrophobicContact CE1-CD1 4.04Å; F192-I254 HydrophobicContact CE1-CG1 4.38Å; F192-I254 HydrophobicContact CZ-CD1 4.44Å; F245-I254 CarbonylContact C-O 3.48Å; F245-I254 VanDerWaalsContact CA-O 3.27Å; F245-I254 WeakPolarHBondContact CA-O 3.28Å; G246-I254 PolarHBondContact N-O 2.99Å; G246-I254 PolarHBondContact O-N 2.79Å; D248-I254 HydrophobicContact CB-CD1 3.98Å; R252-I254 PolarHBondContact O-N 2.6Å; I254-A256 PolarHBondContact O-N 2.66Å
255S80.9Confident84Confident34 Ų3459.5 Ų59.524%0.23831%0.312CS..EExtended strand (participates in β ladder)trans-67.7112.4176.3178.40000109.6N283S255-N283 PolarHBondContact O-ND2 2.98Å
256A78.6Confident83.8Confident10 Ų1059.2 Ų59.28%0.08331%0.312CS..EExtended strand (participates in β ladder)trans-81.8-59.1179.200000110.6V158 L185 A244 I254V158-A256 WeakPolarHBondContact CG2-O 3.34Å; L185-A256 HydrophobicContact CD2-CB 3.47Å; L185-A256 VanDerWaalsContact CD2-CB 3.47Å; L185-A256 HydrophobicContact CG-CB 4.02Å; A244-A256 HydrophobicContact CB-CB 4.24Å; A244-A256 WeakPolarHBondContact O-CB 3.17Å; A244-A256 PolarHBondContact O-N 2.92Å; I254-A256 PolarHBondContact O-N 2.66Å
257G82.8Confident83.8Confident0 Ų063.8 Ų63.80%034%0.336CS..EExtended strand (participates in β ladder)trans-162.7167.6-171.100000115V158 A243 A244 Q280V158-G257 VanDerWaalsContact CG2-CA 3.46Å; A243-G257 CarbonylContact C-O 3.47Å; A243-G257 WeakPolarHBondContact CA-O 3.38Å; A244-G257 PolarHBondContact N-O 3.37Å; A244-G257 PolarHBondContact O-N 3.37Å; G257-Q280 CarbonylContact C-O 3.58Å; G257-Q280 VanDerWaalsContact CA-O 3.27Å; G257-Q280 WeakPolarHBondContact CA-O 3.37Å
258L86.5Confident84Confident26 Ų2662.8 Ų62.814%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-142.5130.5-169.3-16880.4000112.9R241 F242 A243 Q280 V282R241-L258 HydrophobicContact CG-CD1 3.67Å; R241-L258 HydrophobicContact CG-CG 4.36Å; R241-L258 VanDerWaalsContact NE-CD1 3.26Å; F242-L258 CarbonylContact O-C 3.49Å; F242-L258 VanDerWaalsContact O-CA 3.31Å; F242-L258 WeakPolarHBondContact O-CA 3.39Å; A243-L258 HydrophobicContact CB-CD1 3.66Å; L258-Q280 PolarHBondContact N-O 3.2Å; L258-Q280 WeakPolarHBondContact O-CB 3.01Å; L258-Q280 PolarHBondContact O-N 2.96Å; L258-V282 HydrophobicContact CB-CG2 3.33Å; L258-V282 HydrophobicContact CD2-CG2 3.86Å; L258-V282 HydrophobicContact CG-CG2 4.12Å
259A88.1Confident84.2Confident6 Ų665.5 Ų65.55%0.0535%0.348CS..EExtended strand (participates in β ladder)trans-113.9137.6160.900000109.4F242 L277 L279F242-A259 HydrophobicContact CB-CB 4.43Å; F242-A259 HydrophobicContact CD2-CB 4.48Å; F242-A259 PolarHBondContact N-O 3.35Å; F242-A259 PolarHBondContact O-N 3.19Å; A259-L277 HydrophobicContact CB-CB 3.97Å; A259-L277 HydrophobicContact CB-CD1 4.2Å; A259-L279 HydrophobicContact CB-CD2 3.93Å
260E88.1Confident84.6Confident117 Ų11767.7 Ų67.755%0.54735%0.346SS..EExtended strand (participates in β ladder)trans-117.6139.3167.9-168.2-176.1154.800108.5S239 L240S239-E260 WeakPolarHBondContact CB-OE1 3.12Å; S239-E260 PolarHBondContact OG-OE1 3.39Å; L240-E260 CarbonylContact O-C 3.6Å; L240-E260 WeakPolarHBondContact O-CA 3.27Å
261L88Confident85Confident26 Ų2669.1 Ų69.114%0.13634%0.343CS..EExtended strand (participates in β ladder)trans-139.8113.5-177.2-17861.2000109.1L165 L240 F242 L266 F273 L277L165-L261 HydrophobicContact CD1-CD2 3.83Å; L240-L261 PolarHBondContact N-O 3.25Å; L240-L261 PolarHBondContact O-N 3.15Å; F242-L261 HydrophobicContact CE2-CB 4.48Å; L261-L266 HydrophobicContact CD1-CD1 4.39Å; L261-L266 HydrophobicContact CD1-CD2 4.32Å; L261-L266 HydrophobicContact CD2-CD1 3.89Å; L261-L266 HydrophobicContact CG-CD1 4.02Å; L261-F273 HydrophobicContact CD2-CD1 4.26Å; L261-F273 HydrophobicContact CD2-CE1 3.59Å; L261-F273 HydrophobicContact CD2-CZ 4.08Å; L261-L277 HydrophobicContact CD2-CD1 4.36Å; L261-L277 HydrophobicContact CD2-CD2 4.2Å
262K87.9Confident85.5Confident109 Ų10963.9 Ų63.947%0.47433%0.325SS..EExtended strand (participates in β ladder)trans-69.9133.8175.1-65.5-174.6174.5-169.80110S264 D265K262-S264 VanDerWaalsContact C-N 3.31Å; K262-D265 HydrophobicContact CB-CB 4.44Å; K262-D265 PolarHBondContact O-N 3.33Å
263L88.8Confident86Confident2 Ų258.3 Ų58.31%0.0130%0.304CS..G310 helixtrans-73.8-27.1178.2-64.1179000111.8L165 L174 L201 M230 L235 Y238 L240 D265 L266 L268L165-L263 HydrophobicContact CD1-CD2 4.31Å; L174-L263 HydrophobicContact CD2-CD1 3.68Å; L174-L263 HydrophobicContact CD2-CD2 4.19Å; L201-L263 HydrophobicContact CD2-CD1 4.22Å; M230-L263 HydrophobicContact CE-CD1 3.93Å; M230-L263 HydrophobicContact SD-CD1 3.63Å; L235-L263 HydrophobicContact CD2-CB 4.32Å; L235-L263 HydrophobicContact CD2-CD1 4.13Å; L235-L263 CarbonylContact O-C 3.54Å; L235-L263 VanDerWaalsContact O-C 3.27Å; L235-L263 WeakPolarHBondContact O-CB 3.46Å; Y238-L263 WeakPolarHBondContact O-CB 3.45Å; Y238-L263 WeakPolarHBondContact O-CG 3.47Å; Y238-L263 PolarHBondContact O-N 2.92Å; Y238-L263 VanDerWaalsContact O-N 3.07Å; L240-L263 HydrophobicContact CD1-CD2 3.75Å; L240-L263 HydrophobicContact CG-CD1 4.45Å; L240-L263 HydrophobicContact CG-CD2 4Å; L240-L263 HydrophobicContact CG-CG 4.43Å; L263-D265 PolarHBondContact O-N 3.17Å; L263-L266 HydrophobicContact CD2-CD1 4.42Å; L263-L266 PolarHBondContact O-N 3.42Å; L263-L268 HydrophobicContact CD2-CD1 3.93Å
264S86.1Confident86.2Confident54 Ų5458.4 Ų58.438%0.37831%0.305SS..G310 helixtrans-56.6-28.3172.161.20000114.5L235 K262 L266L235-S264 PolarHBondContact O-N 3.14Å; K262-S264 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 3.32Å
265D84.1Confident86.6Confident114 Ų11456.1 Ų56.161%0.6130%0.297SS*.G310 helixtrans-86.23-173.8-60.1-2.7000111.4K262 L263K262-D265 HydrophobicContact CB-CB 4.44Å; K262-D265 PolarHBondContact O-N 3.33Å; L263-D265 PolarHBondContact O-N 3.17Å
266L85.8Confident86.8Confident19 Ų1957.6 Ų57.610%0.09930%0.297CS..SBendtrans-126.3125.4-170.9-55.6-179.1000112.5L165 L261 L263 S264 L268 F273L165-L266 HydrophobicContact CD1-CD1 3.77Å; L261-L266 HydrophobicContact CD1-CD1 4.39Å; L261-L266 HydrophobicContact CD1-CD2 4.32Å; L261-L266 HydrophobicContact CD2-CD1 3.89Å; L261-L266 HydrophobicContact CG-CD1 4.02Å; L263-L266 HydrophobicContact CD2-CD1 4.42Å; L263-L266 PolarHBondContact O-N 3.42Å; S264-L266 PolarHBondContact O-N 3.32Å; L266-L268 HydrophobicContact CB-CD1 4.36Å; L266-L268 HydrophobicContact CB-CD2 4.05Å; L266-L268 HydrophobicContact CB-CG 3.73Å; L266-L268 HydrophobicContact CD1-CD1 4.28Å; L266-L268 HydrophobicContact CD1-CD2 4.14Å; L266-L268 HydrophobicContact CD1-CG 4.29Å; L266-L268 PolarHBondContact O-N 3.18Å; L266-F273 HydrophobicContact CD1-CB 4.41Å; L266-F273 HydrophobicContact CD1-CD1 4.2Å; L266-F273 HydrophobicContact CD1-CD2 4.47Å; L266-F273 HydrophobicContact CD1-CG 4.12Å; L266-F273 HydrophobicContact CD2-CD2 3.52Å; L266-F273 HydrophobicContact CD2-CE2 3.56Å; L266-F273 HydrophobicContact CD2-CG 4.01Å; L266-F273 HydrophobicContact CD2-CZ 4.1Å
267D86.1Confident87.2Confident96 Ų9657.5 Ų57.551%0.51330%0.295SS..  trans-73.548.4173.6-56.5-55.5000113.5T269 I270 R271D267-T269 PolarHBondContact O-N 3.01Å; D267-T269 VanDerWaalsContact O-N 3.08Å; D267-I270 HydrophobicContact CB-CB 4.38Å; D267-I270 HydrophobicContact CB-CD1 4.3Å; D267-I270 PolarHBondContact O-N 3.03Å; D267-R271 PolarHBondContact O-N 3.3Å; D267-R271 IonicContact OD2-NH2 3.92Å
268L87.6Confident87.3Confident7 Ų760.8 Ų60.84%0.03731%0.308CS..THydrogen-bonded Turntrans-60.4-22.5-173.3-65.4-179.5000114L165 F167 L174 L235 L263 L266 I270 R271 F273L165-L268 HydrophobicContact CB-CD1 4.47Å; L165-L268 HydrophobicContact CB-CD2 3.85Å; F167-L268 HydrophobicContact CB-CB 3.93Å; L174-L268 HydrophobicContact CD1-CD1 3.92Å; L235-L268 HydrophobicContact CD2-CD1 4.32Å; L263-L268 HydrophobicContact CD2-CD1 3.93Å; L266-L268 HydrophobicContact CB-CD1 4.36Å; L266-L268 HydrophobicContact CB-CD2 4.05Å; L266-L268 HydrophobicContact CB-CG 3.73Å; L266-L268 HydrophobicContact CD1-CD1 4.28Å; L266-L268 HydrophobicContact CD1-CD2 4.14Å; L266-L268 HydrophobicContact CD1-CG 4.29Å; L266-L268 PolarHBondContact O-N 3.18Å; L268-I270 VanDerWaalsContact C-N 3.31Å; L268-R271 WeakPolarHBondContact CA-O 3.4Å; L268-F273 HydrophobicContact CD2-CB 3.52Å
269T86.1Confident87.1Confident74 Ų7459.5 Ų59.545%0.45430%0.301SS..THydrogen-bonded Turntrans-76.3-18.5178.259.40000112.9F167 Q232 L235 D267F167-T269 HydrophobicContact CD1-CG2 4.14Å; Q232-T269 HydrophobicContact CG-CG2 4Å; L235-T269 HydrophobicContact CD1-CG2 4Å; D267-T269 PolarHBondContact O-N 3.01Å; D267-T269 VanDerWaalsContact O-N 3.08Å
270I87Confident86.6Confident136 Ų13661.8 Ų61.870%0.69731%0.311SS*.THydrogen-bonded Turntrans-101.9-39.1-179.7-59.4177.3000110.8D267 L268D267-I270 HydrophobicContact CB-CB 4.38Å; D267-I270 HydrophobicContact CB-CD1 4.3Å; D267-I270 PolarHBondContact O-N 3.03Å; L268-I270 VanDerWaalsContact C-N 3.31Å
271R87.8Confident85.9Confident139 Ų13956.6 Ų56.653%0.52529%0.287SS..SBendtrans-154151.9-174.959.5179.2172.6176.8-2.8112.1D267 L268D267-R271 PolarHBondContact O-N 3.3Å; D267-R271 IonicContact OD2-NH2 3.92Å; L268-R271 WeakPolarHBondContact CA-O 3.4Å
272P89.8Confident84.7Confident64 Ų6457.7 Ų57.742%0.41630%0.295SS..  trans-64.7137.516929.4-35.5000110.7L165 E166 N274L165-P272 CarbonylContact O-C 3.6Å; L165-P272 VanDerWaalsContact O-CA 3.28Å; L165-P272 WeakPolarHBondContact O-CA 3.37Å; E166-P272 HydrophobicContact CB-CB 4.46Å; E166-P272 HydrophobicContact CG-CB 4Å; P272-N274 PolarHBondContact O-ND2 3.08Å
273F91.1Very high83.2Confident23 Ų2356.7 Ų56.710%0.10129%0.294CS..EExtended strand (participates in β ladder)trans-86.4135172.4171.4-98.9000109.7I148 V163 T164 L165 L261 L266 L268 A275 L277I148-F273 HydrophobicContact CG2-CE2 3.94Å; V163-F273 HydrophobicContact CG2-CE1 4.28Å; T164-F273 CarbonylContact C-O 3.55Å; T164-F273 VanDerWaalsContact CA-O 3.27Å; T164-F273 WeakPolarHBondContact CA-O 3.43Å; L165-F273 HydrophobicContact CB-CB 4.27Å; L165-F273 HydrophobicContact CB-CD1 4.41Å; L165-F273 HydrophobicContact CD1-CD1 3.94Å; L165-F273 HydrophobicContact CG-CD1 4.08Å; L165-F273 PolarHBondContact N-O 2.89Å; L165-F273 PolarHBondContact O-N 2.84Å; L261-F273 HydrophobicContact CD2-CD1 4.26Å; L261-F273 HydrophobicContact CD2-CE1 3.59Å; L261-F273 HydrophobicContact CD2-CZ 4.08Å; L266-F273 HydrophobicContact CD1-CB 4.41Å; L266-F273 HydrophobicContact CD1-CD1 4.2Å; L266-F273 HydrophobicContact CD1-CD2 4.47Å; L266-F273 HydrophobicContact CD1-CG 4.12Å; L266-F273 HydrophobicContact CD2-CD2 3.52Å; L266-F273 HydrophobicContact CD2-CE2 3.56Å; L266-F273 HydrophobicContact CD2-CG 4.01Å; L266-F273 HydrophobicContact CD2-CZ 4.1Å; L268-F273 HydrophobicContact CD2-CB 3.52Å; F273-A275 HydrophobicContact CE1-CB 3.62Å; F273-A275 HydrophobicContact CE2-CB 3.95Å; F273-A275 HydrophobicContact CZ-CB 3.29Å; F273-L277 HydrophobicContact CE1-CD2 4.46Å
274N90.4Very high81.6Confident100 Ų10058.3 Ų58.354%0.53530%0.301SS..EExtended strand (participates in β ladder)trans-137.9119.4-179.5-65.4-87.4000108.1V163 T164 P272V163-N274 WeakPolarHBondContact O-CA 3.36Å; T164-N274 WeakPolarHBondContact CB-OD1 3.2Å; T164-N274 WeakPolarHBondContact CG2-OD1 3.48Å; T164-N274 PolarHBondContact OG1-OD1 3.21Å; P272-N274 PolarHBondContact O-ND2 3.08Å
275A86.5Confident80Confident23 Ų2357.8 Ų57.819%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-157.8160.6-177.500000113.6V163 F273 L277V163-A275 PolarHBondContact N-O 3.49Å; V163-A275 PolarHBondContact O-N 3.13Å; V163-A275 VanDerWaalsContact O-N 3.09Å; F273-A275 HydrophobicContact CE1-CB 3.62Å; F273-A275 HydrophobicContact CE2-CB 3.95Å; F273-A275 HydrophobicContact CZ-CB 3.29Å; A275-L277 HydrophobicContact CB-CD2 4.49Å
276W86.1Confident78.5Confident65 Ų6557.9 Ų57.925%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-89.7117.7161.1-73.978.7000109.1Q160 L161 E162 Q180 K182Q160-W276 HydrophobicContact CB-CE3 3.67Å; Q160-W276 HydrophobicContact CB-CZ3 4.14Å; L161-W276 WeakPolarHBondContact O-CA 3.48Å; E162-W276 HydrophobicContact CB-CD2 3.9Å; E162-W276 HydrophobicContact CB-CE3 4.02Å; E162-W276 HydrophobicContact CB-CH2 3.82Å; E162-W276 HydrophobicContact CB-CZ2 3.68Å; E162-W276 HydrophobicContact CB-CZ3 3.99Å; E162-W276 VanDerWaalsContact CD-CE2 3.49Å; E162-W276 HydrophobicContact CG-CD2 4.32Å; E162-W276 HydrophobicContact CG-CZ2 3.99Å; E162-W276 WeakPolarHBondContact OE1-CZ2 3.12Å; E162-W276 PolarHBondContact OE1-NE1 2.75Å; E162-W276 WeakPolarHBondContact OE2-CZ2 3.45Å; Q180-W276 HydrophobicContact CG-CH2 3.66Å; Q180-W276 HydrophobicContact CG-CZ2 4.13Å; K182-W276 HydrophobicContact CB-CZ3 4.25Å; K182-W276 HydrophobicContact CD-CH2 3.52Å; K182-W276 HydrophobicContact CD-CZ2 4.43Å; K182-W276 HydrophobicContact CD-CZ3 3.74Å; K182-W276 VanDerWaalsContact CE-CH2 3.41Å; K182-W276 HydrophobicContact CG-CH2 3.98Å; K182-W276 HydrophobicContact CG-CZ3 3.96Å; K182-W276 VanDerWaalsContact NZ-CZ2 3.27Å
277L86.6Confident77.6Confident8 Ų860.6 Ų60.64%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-92135.2173.4-56.2-174.7000109.7Q160 L161 V163 F242 A259 L261 F273 A275Q160-L277 CarbonylContact C-O 3.55Å; Q160-L277 VanDerWaalsContact CA-O 3.23Å; Q160-L277 WeakPolarHBondContact CA-O 3.18Å; L161-L277 PolarHBondContact N-O 2.79Å; L161-L277 PolarHBondContact O-N 3.18Å; V163-L277 HydrophobicContact CG1-CD1 4.1Å; V163-L277 HydrophobicContact CG1-CG 4.42Å; V163-L277 HydrophobicContact CG2-CD1 3.79Å; V163-L277 HydrophobicContact CG2-CD2 4.46Å; V163-L277 HydrophobicContact CG2-CG 3.87Å; F242-L277 HydrophobicContact CD2-CD1 3.57Å; F242-L277 HydrophobicContact CE2-CD1 3.53Å; F242-L277 HydrophobicContact CG-CD1 4.34Å; F242-L277 HydrophobicContact CZ-CD1 4.25Å; A259-L277 HydrophobicContact CB-CB 3.97Å; A259-L277 HydrophobicContact CB-CD1 4.2Å; L261-L277 HydrophobicContact CD2-CD1 4.36Å; L261-L277 HydrophobicContact CD2-CD2 4.2Å; F273-L277 HydrophobicContact CE1-CD2 4.46Å; A275-L277 HydrophobicContact CB-CD2 4.49Å
278Y84.1Confident77.2Confident68 Ų6857.6 Ų57.627%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-90.1122.6174.8-66.7-92000109.7T157 Q160T157-Y278 HydrophobicContact CG2-CD1 4.28Å; Q160-Y278 HydrophobicContact CG-CD1 3.73Å; Q160-Y278 HydrophobicContact CG-CE1 3.72Å
279L83.8Confident77.2Confident0 Ų057.4 Ų57.40%031%0.307CS..EExtended strand (participates in β ladder)trans-84.5126.2-179.5-64.8170.9000110.3T157 V158 G159 L161 L184 A244 A259T157-L279 CarbonylContact C-O 3.6Å; T157-L279 VanDerWaalsContact CA-O 3.23Å; T157-L279 WeakPolarHBondContact CA-O 3.4Å; V158-L279 HydrophobicContact CG2-CB 4.21Å; V158-L279 WeakPolarHBondContact CG2-O 3.24Å; V158-L279 PolarHBondContact N-O 3.2Å; G159-L279 PolarHBondContact O-N 3.38Å; L161-L279 HydrophobicContact CB-CD1 4.46Å; L161-L279 HydrophobicContact CB-CG 4.48Å; L184-L279 HydrophobicContact CD2-CD1 3.47Å; L184-L279 VanDerWaalsContact CD2-CD1 3.47Å; A244-L279 HydrophobicContact CB-CD1 3.78Å; A259-L279 HydrophobicContact CB-CD2 3.93Å
280Q78.1Confident77.4Confident54 Ų5454.2 Ų54.225%0.25229%0.288SS..EExtended strand (participates in β ladder)trans-99.4128.3-178.7-57.1178.655.100110.9H154 F156 G257 L258 V282H154-Q280 HydrophobicContact CB-CG 4.14Å; H154-Q280 PolarHBondContact CE1-NE2 2.76Å; H154-Q280 VanDerWaalsContact CE1-NE2 3.32Å; H154-Q280 VanDerWaalsContact ND1-CD 3.25Å; H154-Q280 PolarHBondContact ND1-NE2 2.76Å; H154-Q280 PolarHBondContact ND1-OE1 2.9Å; F156-Q280 CarbonylContact O-C 3.48Å; F156-Q280 WeakPolarHBondContact O-CA 3.37Å; G257-Q280 CarbonylContact C-O 3.58Å; G257-Q280 VanDerWaalsContact CA-O 3.27Å; G257-Q280 WeakPolarHBondContact CA-O 3.37Å; L258-Q280 PolarHBondContact N-O 3.2Å; L258-Q280 WeakPolarHBondContact O-CB 3.01Å; L258-Q280 PolarHBondContact O-N 2.96Å; Q280-V282 PolarHBondContact O-N 2.86Å
281D73.3Confident77.6Confident7 Ų749.8 Ų49.84%0.03727%0.265CS..  trans-64106.9173.5-170.4-31.6000110.1F156 V158 N283 K284 A285F156-D281 HydrophobicContact CB-CB 4Å; F156-D281 PolarHBondContact O-N 2.77Å; V158-D281 HydrophobicContact CG1-CB 3.73Å; V158-D281 HydrophobicContact CG2-CB 4.29Å; D281-N283 PolarHBondContact O-N 2.69Å; D281-N283 WeakPolarHBondContact OD1-CA 3.2Å; D281-N283 VanDerWaalsContact OD1-CB 3.28Å; D281-N283 WeakPolarHBondContact OD1-CB 3.38Å; D281-N283 PolarHBondContact OD1-N 2.8Å; D281-N283 PolarHBondContact OD1-ND2 3.42Å; D281-K284 HydrophobicContact CB-CB 4.06Å; D281-K284 HydrophobicContact CB-CD 4.3Å; D281-K284 HydrophobicContact CB-CG 4.29Å; D281-K284 PolarHBondContact O-N 2.93Å; D281-K284 PolarHBondContact OD1-N 2.88Å; D281-K284 WeakPolarHBondContact OD2-CD 3.43Å; D281-K284 VanDerWaalsContact OD2-CE 3.25Å; D281-K284 WeakPolarHBondContact OD2-CE 3.43Å; D281-K284 VanDerWaalsContact OD2-CG 3.24Å; D281-K284 WeakPolarHBondContact OD2-CG 3.43Å; D281-K284 IonicContact OD2-NZ 3.33Å; D281-K284 PolarHBondContact OD2-NZ 3.49Å; D281-A285 WeakPolarHBondContact O-CB 3.1Å; D281-A285 PolarHBondContact O-N 3.29Å
282V62.2Low78Confident50 Ų5043.2 Ų43.230%0.30324%0.24SC..Hα-helixtrans-66.6-29.4-179-170.80000110.9L258 Q280 V286L258-V282 HydrophobicContact CB-CG2 3.33Å; L258-V282 HydrophobicContact CD2-CG2 3.86Å; L258-V282 HydrophobicContact CG-CG2 4.12Å; Q280-V282 PolarHBondContact O-N 2.86Å; V282-V286 WeakPolarHBondContact O-CG2 3.42Å
283N57Low78.3Confident87 Ų8741.7 Ų41.747%0.46523%0.228SC..Hα-helixtrans-73-46.7179.8-45.2-61.8000109.6S255 D281 A285 V286S255-N283 PolarHBondContact O-ND2 2.98Å; D281-N283 PolarHBondContact O-N 2.69Å; D281-N283 WeakPolarHBondContact OD1-CA 3.2Å; D281-N283 VanDerWaalsContact OD1-CB 3.28Å; D281-N283 WeakPolarHBondContact OD1-CB 3.38Å; D281-N283 PolarHBondContact OD1-N 2.8Å; D281-N283 PolarHBondContact OD1-ND2 3.42Å; N283-A285 VanDerWaalsContact C-N 3.35Å; N283-A285 PolarHBondContact O-N 2.79Å; N283-V286 PolarHBondContact O-N 3.46Å
284K54.3Low78.6Confident37 Ų3740.6 Ų40.616%0.16122%0.224CC..Hα-helixtrans-71.8-25.7178.9-63.9177-175117.30113.2F156 E186 D281 V286 D287F156-K284 HydrophobicContact CD1-CB 3.39Å; F156-K284 VanDerWaalsContact CE1-C 3.48Å; F156-K284 HydrophobicContact CE1-CB 3.76Å; F156-K284 WeakPolarHBondContact CE1-O 3.41Å; F156-K284 HydrophobicContact CG-CB 4.31Å; F156-K284 WeakPolarHBondContact CZ-O 3.5Å; E186-K284 IonicContact OE2-NZ 2.6Å; E186-K284 PolarHBondContact OE2-NZ 2.89Å; D281-K284 HydrophobicContact CB-CB 4.06Å; D281-K284 HydrophobicContact CB-CD 4.3Å; D281-K284 HydrophobicContact CB-CG 4.29Å; D281-K284 PolarHBondContact O-N 2.93Å; D281-K284 PolarHBondContact OD1-N 2.88Å; D281-K284 WeakPolarHBondContact OD2-CD 3.43Å; D281-K284 VanDerWaalsContact OD2-CE 3.25Å; D281-K284 WeakPolarHBondContact OD2-CE 3.43Å; D281-K284 VanDerWaalsContact OD2-CG 3.24Å; D281-K284 WeakPolarHBondContact OD2-CG 3.43Å; D281-K284 IonicContact OD2-NZ 3.33Å; D281-K284 PolarHBondContact OD2-NZ 3.49Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-D287 PolarHBondContact O-N 2.76Å
285A53.5Low79Confident42 Ų4236.4 Ų36.435%0.34720%0.202SC..Hα-helixtrans-66.4-32.1175.400000113.5F156 D281 N283 D287 A288F156-A285 HydrophobicContact CD2-CB 4Å; F156-A285 HydrophobicContact CE2-CB 4.15Å; F156-A285 HydrophobicContact CG-CB 4.49Å; D281-A285 WeakPolarHBondContact O-CB 3.1Å; D281-A285 PolarHBondContact O-N 3.29Å; N283-A285 VanDerWaalsContact C-N 3.35Å; N283-A285 PolarHBondContact O-N 2.79Å; A285-D287 VanDerWaalsContact C-N 3.26Å; A285-D287 PolarHBondContact O-N 2.8Å; A285-A288 PolarHBondContact O-N 3.42Å
286V52.5Low79.5Confident116 Ų11635.3 Ų35.370%0.70319%0.193SC*.Hα-helixtrans-69.7-23.7176.9174.40000112.1V282 N283 K284V282-V286 WeakPolarHBondContact O-CG2 3.42Å; N283-V286 PolarHBondContact O-N 3.46Å; K284-V286 VanDerWaalsContact C-N 3.34Å
287D65.4Low80.1Confident77 Ų7733.4 Ų33.441%0.41219%0.189SC..THydrogen-bonded Turntrans-88.68.8178.6-80.8-38.6000114.7K284 A285 V289 R425K284-D287 PolarHBondContact O-N 2.76Å; A285-D287 VanDerWaalsContact C-N 3.26Å; A285-D287 PolarHBondContact O-N 2.8Å; D287-V289 PolarHBondContact O-N 3.42Å; D287-R425 HydrophobicContact CB-CB 4.11Å; D287-R425 WeakPolarHBondContact O-CB 3.21Å; D287-R425 PolarHBondContact O-N 3.1Å
288A78Confident80.6Confident33 Ų3333.1 Ų33.127%0.27319%0.188SC..EExtended strand (participates in β ladder)trans-69125.9174.600000111.6F156 A285 L423F156-A288 HydrophobicContact CZ-CB 4.3Å; A285-A288 PolarHBondContact O-N 3.42Å; A288-L423 CarbonylContact C-O 3.57Å; A288-L423 WeakPolarHBondContact CA-O 3.43Å
289V87.8Confident81.3Confident2 Ų232 Ų321%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-11723.1179.2-63.10000113.1D287 L315 I316 L389 L423 R425D287-V289 PolarHBondContact O-N 3.42Å; V289-L315 WeakPolarHBondContact O-CA 2.91Å; V289-I316 HydrophobicContact CB-CB 4.49Å; V289-I316 PolarHBondContact O-N 3.31Å; V289-L389 HydrophobicContact CB-CG 4.32Å; V289-L389 HydrophobicContact CG2-CG 4.06Å; V289-L423 HydrophobicContact CG2-CB 3.8Å; V289-L423 WeakPolarHBondContact CG2-O 3.31Å; V289-L423 PolarHBondContact N-O 2.53Å; V289-R425 HydrophobicContact CG1-CB 4.05Å; V289-R425 HydrophobicContact CG1-CG 4.24Å
290G89.9Confident81.8Confident7 Ų733.9 Ų33.97%0.07220%0.199CC..EExtended strand (participates in β ladder)trans121.7-168.217800000113.2N314 L423G290-N314 WeakPolarHBondContact CA-O 3.49Å; G290-L423 WeakPolarHBondContact O-CB 3.35Å; G290-L423 PolarHBondContact O-N 2.9Å
291E91.4Very high82.6Confident44 Ų4437.6 Ų37.621%0.20623%0.225CC..EExtended strand (participates in β ladder)trans-134.1149-172.8-61.7165.376.500112.1C312 K313 N314 W420 H421E291-C312 CarbonylContact O-C 3.52Å; E291-C312 WeakPolarHBondContact O-CA 3.43Å; E291-C312 WeakPolarHBondContact O-CB 3.44Å; E291-K313 HydrophobicContact CB-CG 3.93Å; E291-K313 PolarHBondContact N-O 3.47Å; E291-K313 PolarHBondContact O-N 2.97Å; E291-K313 VanDerWaalsContact OE1-CE 3.24Å; E291-K313 WeakPolarHBondContact OE1-CE 3.46Å; E291-K313 IonicContact OE1-NZ 2.75Å; E291-K313 PolarHBondContact OE1-NZ 3.46Å; E291-K313 WeakPolarHBondContact OE2-CE 3.42Å; E291-K313 IonicContact OE2-NZ 3.72Å; E291-K313 PolarHBondContact OE2-NZ 3.3Å; E291-N314 PolarHBondContact OE2-ND2 3Å; E291-W420 HydrophobicContact CB-CE3 3.9Å; E291-W420 HydrophobicContact CB-CZ3 4.18Å; E291-H421 CarbonylContact C-O 3.49Å; E291-H421 VanDerWaalsContact CA-O 3.25Å; E291-H421 WeakPolarHBondContact CA-O 3.44Å
292I95.5Very high83.7Confident0 Ų039.7 Ų39.70%024%0.243CC..EExtended strand (participates in β ladder)trans-128.9130.9179-171.9167000111.4L294 V309 V328 V375 V377 V392 W420 H421 L423I292-L294 HydrophobicContact CD1-CD2 3.92Å; I292-L294 HydrophobicContact CD1-CG 4.48Å; I292-L294 HydrophobicContact CG1-CD2 3.95Å; I292-L294 HydrophobicContact CG1-CG 4.13Å; I292-L294 HydrophobicContact CG2-CD1 4.16Å; I292-L294 HydrophobicContact CG2-CG 4.26Å; I292-V309 HydrophobicContact CD1-CG1 4.22Å; I292-V328 HydrophobicContact CD1-CG1 3.99Å; I292-V328 HydrophobicContact CD1-CG2 4.09Å; I292-V375 HydrophobicContact CD1-CG1 3.81Å; I292-V377 HydrophobicContact CD1-CG2 3.98Å; I292-V392 HydrophobicContact CG2-CG1 4.3Å; I292-W420 VanDerWaalsContact C-CE3 3.45Å; I292-W420 CarbonylContact O-C 3.41Å; I292-H421 HydrophobicContact CG2-CB 3.9Å; I292-H421 PolarHBondContact N-O 2.76Å; I292-H421 PolarHBondContact O-N 2.97Å; I292-L423 HydrophobicContact CB-CD2 4.19Å; I292-L423 HydrophobicContact CB-CG 4.43Å; I292-L423 HydrophobicContact CG2-CD2 3.7Å; I292-L423 HydrophobicContact CG2-CG 4.21Å
293L97.1Very high85.4Confident33 Ų3341.3 Ų41.317%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-91.4118.1174.3-179.459.6000109.5A310 K311 M419 W420L293-A310 HydrophobicContact CB-CB 4.15Å; L293-A310 HydrophobicContact CD2-CB 4Å; L293-A310 HydrophobicContact CG-CB 3.9Å; L293-A310 WeakPolarHBondContact O-CB 3.44Å; L293-A310 PolarHBondContact O-N 2.85Å; L293-K311 HydrophobicContact CB-CG 4.11Å; L293-K311 HydrophobicContact CD2-CG 4.21Å; L293-K311 PolarHBondContact N-O 2.89Å; L293-M419 WeakPolarHBondContact CD1-O 3.28Å; L293-W420 HydrophobicContact CB-CD2 3.9Å; L293-W420 HydrophobicContact CB-CE3 3.75Å; L293-W420 HydrophobicContact CB-CH2 3.88Å; L293-W420 HydrophobicContact CB-CZ2 4.03Å; L293-W420 HydrophobicContact CB-CZ3 3.73Å; L293-W420 HydrophobicContact CD1-CD2 4.18Å; L293-W420 HydrophobicContact CD1-CG 4.19Å; L293-W420 HydrophobicContact CD2-CZ2 4.22Å
294L97.9Very high87.3Confident0 Ų042.3 Ų42.30%025%0.245CC..EExtended strand (participates in β ladder)trans-118.9143.9-178.6-63.1172.6000110.2I292 V308 V309 V375 V392 I394 H405 S418 M419I292-L294 HydrophobicContact CD1-CD2 3.92Å; I292-L294 HydrophobicContact CD1-CG 4.48Å; I292-L294 HydrophobicContact CG1-CD2 3.95Å; I292-L294 HydrophobicContact CG1-CG 4.13Å; I292-L294 HydrophobicContact CG2-CD1 4.16Å; I292-L294 HydrophobicContact CG2-CG 4.26Å; L294-V308 WeakPolarHBondContact CA-O 3.41Å; L294-V309 HydrophobicContact CD2-CG2 4.15Å; L294-V375 HydrophobicContact CD1-CB 4.22Å; L294-V375 HydrophobicContact CD1-CG1 4.27Å; L294-V375 HydrophobicContact CD1-CG2 3.88Å; L294-V375 HydrophobicContact CD2-CG1 4.2Å; L294-V392 HydrophobicContact CD1-CG1 4.12Å; L294-I394 HydrophobicContact CD1-CD1 3.59Å; L294-H405 WeakPolarHBondContact CB-CE1 3.05Å; L294-H405 PolarHBondContact O-CE1 2.93Å; L294-S418 CarbonylContact O-C 3.56Å; L294-S418 VanDerWaalsContact O-CA 3.3Å; L294-S418 WeakPolarHBondContact O-CA 3.47Å; L294-M419 PolarHBondContact N-O 3.36Å; L294-M419 PolarHBondContact O-N 2.81Å
295S98Very high89.4Confident12 Ų1240.5 Ų40.58%0.08424%0.237CC..EExtended strand (participates in β ladder)trans-119.8129.4169.9-1570000111V307 V308 H405 P416 V417 S418S295-V307 CarbonylContact O-C 3.47Å; S295-V307 WeakPolarHBondContact O-CA 3.24Å; S295-V308 PolarHBondContact N-O 2.92Å; S295-V308 PolarHBondContact O-N 2.95Å; S295-H405 PolarHBondContact N-CE1 2.96Å; S295-P416 WeakPolarHBondContact OG-CB 3.23Å; S295-V417 CarbonylContact C-O 3.56Å; S295-V417 VanDerWaalsContact CA-O 3.25Å; S295-V417 WeakPolarHBondContact CA-O 3.44Å; S295-V417 PolarHBondContact OG-O 3.06Å; S295-S418 WeakPolarHBondContact CB-OG 3.02Å; S295-S418 PolarHBondContact OG-OG 3.15Å
296L98.1Very high91.5Very high0 Ų039.6 Ų39.60%023%0.227CC..EExtended strand (participates in β ladder)trans-118.1134.9-177.1-61.5177.3000110.1V307 L373 I394 H405 M409 P416 V417L296-V307 HydrophobicContact CD2-CB 4.11Å; L296-V307 HydrophobicContact CD2-CG1 3.86Å; L296-V307 HydrophobicContact CD2-CG2 3.73Å; L296-L373 HydrophobicContact CD2-CD1 3.72Å; L296-I394 HydrophobicContact CD1-CD1 4.46Å; L296-I394 HydrophobicContact CD1-CG2 3.77Å; L296-H405 HydrophobicContact CD1-CB 4.4Å; L296-H405 WeakPolarHBondContact CD1-ND1 3.32Å; L296-H405 PolarHBondContact N-NE2 2.81Å; L296-M409 HydrophobicContact CB-CB 4.17Å; L296-M409 HydrophobicContact CB-CG 4.06Å; L296-M409 HydrophobicContact CB-SD 3.79Å; L296-P416 WeakPolarHBondContact O-CA 3.13Å; L296-V417 PolarHBondContact N-O 2.83Å; L296-V417 PolarHBondContact O-N 2.74Å
297S97.6Very high93.7Very high24 Ų2434 Ų3417%0.16819%0.193CC..EExtended strand (participates in β ladder)trans-144.9137.6169530000110.6T306 K415S297-T306 PolarHBondContact N-O 2.79Å; S297-T306 PolarHBondContact O-N 2.9Å; S297-K415 WeakPolarHBondContact CB-O 3.43Å
298Y98Very high95.3Very high3 Ų332.3 Ų32.31%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-114.1133.9171.4-171.9-110000110.9P300 R304 L305 V363 S365 L368 L413 R414Y298-P300 HydrophobicContact CD1-CB 4.44Å; Y298-P300 HydrophobicContact CD1-CG 3.78Å; Y298-P300 HydrophobicContact CE1-CB 3.87Å; Y298-P300 HydrophobicContact CE1-CG 3.71Å; Y298-R304 WeakPolarHBondContact CA-O 3.25Å; Y298-R304 WeakPolarHBondContact CD2-O 3.08Å; Y298-L305 HydrophobicContact CD2-CB 3.99Å; Y298-L305 HydrophobicContact CD2-CD1 4.44Å; Y298-L305 HydrophobicContact CE2-CB 4.48Å; Y298-V363 HydrophobicContact CE2-CB 4.18Å; Y298-V363 HydrophobicContact CE2-CG1 4.23Å; Y298-V363 WeakPolarHBondContact CE2-O 3.33Å; Y298-V363 PolarHBondContact OH-O 3.2Å; Y298-S365 VanDerWaalsContact OH-CA 3.26Å; Y298-S365 WeakPolarHBondContact OH-CA 3.1Å; Y298-S365 PolarHBondContact OH-N 3.23Å; Y298-S365 VanDerWaalsContact OH-N 3.17Å; Y298-S365 PolarHBondContact OH-OG 2.7Å; Y298-L368 HydrophobicContact CD1-CD2 3.55Å; Y298-L368 HydrophobicContact CD2-CD1 4.11Å; Y298-L368 HydrophobicContact CD2-CD2 4.08Å; Y298-L368 HydrophobicContact CE1-CD2 3.63Å; Y298-L368 HydrophobicContact CE2-CD1 4.15Å; Y298-L368 HydrophobicContact CE2-CD2 4.16Å; Y298-L368 HydrophobicContact CG-CD2 3.79Å; Y298-L413 HydrophobicContact CD1-CD2 4.12Å; Y298-R414 PolarHBondContact O-N 3.47Å
299L97.3Very high96.3Very high44 Ų4430.7 Ų30.723%0.2317%0.172CC..EExtended strand (participates in β ladder)trans-116.897.9174.3172.660.3000108.6T301 A302 E303 R304 R414L299-T301 PolarHBondContact O-N 3.14Å; L299-A302 HydrophobicContact CD2-CB 3.66Å; L299-A302 HydrophobicContact CG-CB 3.89Å; L299-A302 PolarHBondContact O-N 3.35Å; L299-E303 PolarHBondContact O-N 3.14Å; L299-E303 VanDerWaalsContact O-N 3.13Å; L299-R304 HydrophobicContact CB-CB 4.44Å; L299-R304 PolarHBondContact N-O 3.32Å; L299-R304 PolarHBondContact O-N 3.46Å; L299-R304 VanDerWaalsContact O-N 3.08Å; L299-R414 HydrophobicContact CD1-CG 3.73Å
300P95.4Very high96.7Very high40 Ų4031.3 Ų31.326%0.2618%0.178SC..G310 helixtrans-59.1-42.1-177.1-22.529.4000113.4Y298 A302 E303 L413Y298-P300 HydrophobicContact CD1-CB 4.44Å; Y298-P300 HydrophobicContact CD1-CG 3.78Å; Y298-P300 HydrophobicContact CE1-CB 3.87Å; Y298-P300 HydrophobicContact CE1-CG 3.71Å; P300-A302 PolarHBondContact O-N 3.01Å; P300-A302 VanDerWaalsContact O-N 3.1Å; P300-E303 PolarHBondContact O-N 3.32Å; P300-L413 HydrophobicContact CG-CD1 3.94Å; P300-L413 HydrophobicContact CG-CD2 4.44Å
301T95.2Very high97Very high132 Ų13235.1 Ų35.181%0.8119%0.192SC*.G310 helixtrans-61.6-22.6-176.8-440000113.9L299L299-T301 PolarHBondContact O-N 3.14Å
302A95.9Very high97.2Very high51 Ų5133.1 Ų33.142%0.42118%0.183SC..G310 helixtrans-1149.3176.300000112.3L299 P300 R304L299-A302 HydrophobicContact CD2-CB 3.66Å; L299-A302 HydrophobicContact CG-CB 3.89Å; L299-A302 PolarHBondContact O-N 3.35Å; P300-A302 PolarHBondContact O-N 3.01Å; P300-A302 VanDerWaalsContact O-N 3.1Å; A302-R304 HydrophobicContact CB-CB 4.13Å; A302-R304 PolarHBondContact O-N 2.95Å
303E96.9Very high96.9Very high83 Ų8336 Ų3639%0.38820%0.196SC..THydrogen-bonded Turntrans4449.7-175.2-61.7-161.1126.500112.3L299 P300 S362 V363 P364 S365L299-E303 PolarHBondContact O-N 3.14Å; L299-E303 VanDerWaalsContact O-N 3.13Å; P300-E303 PolarHBondContact O-N 3.32Å; E303-S362 CarbonylContact O-C 3.47Å; E303-S362 WeakPolarHBondContact O-CA 3.43Å; E303-V363 CarbonylContact C-O 3.53Å; E303-V363 VanDerWaalsContact C-O 3.32Å; E303-V363 WeakPolarHBondContact CA-O 3.38Å; E303-V363 WeakPolarHBondContact CB-O 3.13Å; E303-V363 CarbonylContact O-C 3.52Å; E303-V363 PolarHBondContact O-N 3.15Å; E303-P364 VanDerWaalsContact CD-CA 3.48Å; E303-P364 WeakPolarHBondContact OE1-CA 3.33Å; E303-P364 WeakPolarHBondContact OE1-CB 3.45Å; E303-S365 PolarHBondContact OE1-N 2.83Å
304R97.4Very high96.5Very high108 Ų10839.1 Ų39.141%0.40821%0.213SC..EExtended strand (participates in β ladder)trans-126.3115-164.3-170.1171.470.4-170.63.4112.4Y298 L299 A302 I360Y298-R304 WeakPolarHBondContact CA-O 3.25Å; Y298-R304 WeakPolarHBondContact CD2-O 3.08Å; L299-R304 HydrophobicContact CB-CB 4.44Å; L299-R304 PolarHBondContact N-O 3.32Å; L299-R304 PolarHBondContact O-N 3.46Å; L299-R304 VanDerWaalsContact O-N 3.08Å; A302-R304 HydrophobicContact CB-CB 4.13Å; A302-R304 PolarHBondContact O-N 2.95Å; R304-I360 HydrophobicContact CG-CG2 3.51Å
305L98.1Very high96.1Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-96.3123.2169.5177.962.1000109.2Y298 V307 L332 F361 V363 L373 W406 M409Y298-L305 HydrophobicContact CD2-CB 3.99Å; Y298-L305 HydrophobicContact CD2-CD1 4.44Å; Y298-L305 HydrophobicContact CE2-CB 4.48Å; L305-V307 HydrophobicContact CG-CG2 4.39Å; L305-L332 HydrophobicContact CD2-CD1 4.3Å; L305-F361 HydrophobicContact CB-CB 4.39Å; L305-F361 PolarHBondContact N-O 3.02Å; L305-F361 PolarHBondContact O-N 2.99Å; L305-V363 HydrophobicContact CB-CB 4.27Å; L305-V363 HydrophobicContact CB-CG2 3.98Å; L305-V363 HydrophobicContact CD2-CG2 4.29Å; L305-L373 HydrophobicContact CD2-CD1 4.38Å; L305-L373 HydrophobicContact CD2-CD2 4.19Å; L305-L373 HydrophobicContact CD2-CG 4.48Å; L305-W406 HydrophobicContact CD2-CH2 4.01Å; L305-W406 HydrophobicContact CD2-CZ3 4.25Å; L305-M409 HydrophobicContact CD1-CE 4.14Å; L305-M409 HydrophobicContact CD1-SD 3.47Å; L305-M409 WeakPolarHBondContact CD1-SD 3.23Å
306T98.3Very high95.6Very high22 Ų2243.9 Ų43.914%0.13524%0.236CC..EExtended strand (participates in β ladder)trans-114.5123.4176.4-59.50000109.6S297 V308 A358 I360S297-T306 PolarHBondContact N-O 2.79Å; S297-T306 PolarHBondContact O-N 2.9Å; T306-V308 HydrophobicContact CG2-CG2 4.27Å; T306-A358 HydrophobicContact CG2-CB 4.34Å; T306-I360 HydrophobicContact CG2-CG1 4.26Å
307V98.4Very high94.9Very high0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-112.5108.5176.1-175.30000108.2S295 L296 L305 V330 M359 F361 L373S295-V307 CarbonylContact O-C 3.47Å; S295-V307 WeakPolarHBondContact O-CA 3.24Å; L296-V307 HydrophobicContact CD2-CB 4.11Å; L296-V307 HydrophobicContact CD2-CG1 3.86Å; L296-V307 HydrophobicContact CD2-CG2 3.73Å; L305-V307 HydrophobicContact CG-CG2 4.39Å; V307-V330 HydrophobicContact CG1-CG1 4.36Å; V307-M359 HydrophobicContact CB-CB 4.36Å; V307-M359 PolarHBondContact N-O 3.41Å; V307-M359 WeakPolarHBondContact O-CB 3.41Å; V307-M359 PolarHBondContact O-N 2.91Å; V307-F361 HydrophobicContact CG2-CD2 4.23Å; V307-F361 HydrophobicContact CG2-CE2 4.03Å; V307-L373 HydrophobicContact CG2-CD1 3.58Å; V307-L373 HydrophobicContact CG2-CD2 4.07Å
308V98.6Very high93.6Very high40 Ų4047.5 Ų47.524%0.24226%0.255CS..EExtended strand (participates in β ladder)trans-90.7120.2172.3-169.80000108.8L294 S295 T306 A310 E357 A358L294-V308 WeakPolarHBondContact CA-O 3.41Å; S295-V308 PolarHBondContact N-O 2.92Å; S295-V308 PolarHBondContact O-N 2.95Å; T306-V308 HydrophobicContact CG2-CG2 4.27Å; V308-A310 PolarHBondContact O-N 3.45Å; V308-E357 WeakPolarHBondContact CA-O 3.12Å; V308-A358 HydrophobicContact CG2-CB 4.18Å
309V98.5Very high92Very high0 Ų051.9 Ų51.90%028%0.278CS..EExtended strand (participates in β ladder)trans-84.9106.6167.8-178.60000106.8I292 L294 V328 V330 T344 F355 N356 E357I292-V309 HydrophobicContact CD1-CG1 4.22Å; L294-V309 HydrophobicContact CD2-CG2 4.15Å; V309-V328 HydrophobicContact CG1-CB 4.08Å; V309-V328 HydrophobicContact CG1-CG1 4.27Å; V309-V328 HydrophobicContact CG1-CG2 3.78Å; V309-V328 HydrophobicContact CG2-CG1 4.22Å; V309-V330 HydrophobicContact CG2-CG2 3.91Å; V309-T344 HydrophobicContact CB-CG2 4.03Å; V309-T344 HydrophobicContact CG1-CG2 4.08Å; V309-T344 HydrophobicContact CG2-CG2 4.13Å; V309-F355 HydrophobicContact CB-CB 4.42Å; V309-F355 HydrophobicContact CG1-CB 4Å; V309-F355 HydrophobicContact CG1-CD2 3.7Å; V309-F355 HydrophobicContact CG1-CE2 4.47Å; V309-F355 HydrophobicContact CG1-CG 4Å; V309-F355 WeakPolarHBondContact O-CB 3.28Å; V309-N356 CarbonylContact O-C 3.52Å; V309-N356 VanDerWaalsContact O-CA 3.29Å; V309-N356 WeakPolarHBondContact O-CA 3.4Å; V309-N356 PolarHBondContact O-N 3.27Å; V309-E357 PolarHBondContact N-O 2.92Å; V309-E357 PolarHBondContact O-N 3.27Å
310A97.5Very high90.2Very high15 Ų1558.8 Ų58.812%0.12431%0.309CS..EExtended strand (participates in β ladder)trans-85.1-68.2-174.700000111.1L293 V308 F355 N356L293-A310 HydrophobicContact CB-CB 4.15Å; L293-A310 HydrophobicContact CD2-CB 4Å; L293-A310 HydrophobicContact CG-CB 3.9Å; L293-A310 WeakPolarHBondContact O-CB 3.44Å; L293-A310 PolarHBondContact O-N 2.85Å; V308-A310 PolarHBondContact O-N 3.45Å; A310-F355 PolarHBondContact O-N 2.54Å; A310-N356 PolarHBondContact O-N 3.11Å; A310-N356 PolarHBondContact O-OD1 2.93Å
311K95.9Very high88.6Confident86 Ų8660.8 Ų60.837%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-159.1163.9-178.460.7177.4-179.2174.60112.2L293 P353 I354 W420L293-K311 HydrophobicContact CB-CG 4.11Å; L293-K311 HydrophobicContact CD2-CG 4.21Å; L293-K311 PolarHBondContact N-O 2.89Å; K311-P353 CarbonylContact C-O 3.58Å; K311-P353 WeakPolarHBondContact CA-O 3.46Å; K311-P353 WeakPolarHBondContact CB-O 3.34Å; K311-I354 HydrophobicContact CB-CB 4.36Å; K311-I354 HydrophobicContact CB-CG1 3.98Å; K311-I354 HydrophobicContact CB-CG2 4.49Å; K311-I354 HydrophobicContact CD-CG1 4.5Å; K311-W420 HydrophobicContact CD-CH2 4.3Å; K311-W420 HydrophobicContact CG-CH2 3.96Å
312C95.4Very high87.2Confident3 Ų361.6 Ų61.62%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-112.1163.1167-56.50000111.4E291 L315 N352 P353E291-C312 CarbonylContact O-C 3.52Å; E291-C312 WeakPolarHBondContact O-CA 3.43Å; E291-C312 WeakPolarHBondContact O-CB 3.44Å; C312-L315 HydrophobicContact CB-CD1 3.87Å; C312-L315 HydrophobicContact CB-CD2 3.9Å; C312-L315 HydrophobicContact CB-CG 4Å; C312-N352 CarbonylContact O-C 3.58Å; C312-P353 HydrophobicContact CB-CG 3.92Å; C312-P353 PolarHBondContact N-O 2.86Å
313K89.7Confident86.1Confident61 Ų6162.9 Ų62.927%0.26532%0.316SS..EExtended strand (participates in β ladder)trans-142.9161.8167.864.7-175.4165.9101.40110.9E291 L315 N352 W420E291-K313 HydrophobicContact CB-CG 3.93Å; E291-K313 PolarHBondContact N-O 3.47Å; E291-K313 PolarHBondContact O-N 2.97Å; E291-K313 VanDerWaalsContact OE1-CE 3.24Å; E291-K313 WeakPolarHBondContact OE1-CE 3.46Å; E291-K313 IonicContact OE1-NZ 2.75Å; E291-K313 PolarHBondContact OE1-NZ 3.46Å; E291-K313 WeakPolarHBondContact OE2-CE 3.42Å; E291-K313 IonicContact OE2-NZ 3.72Å; E291-K313 PolarHBondContact OE2-NZ 3.3Å; K313-L315 VanDerWaalsContact C-N 3.26Å; K313-L315 PolarHBondContact O-N 3.23Å; K313-N352 WeakPolarHBondContact CA-OD1 3.43Å; K313-W420 HydrophobicContact CB-CH2 4.21Å; K313-W420 HydrophobicContact CB-CZ3 4.41Å; K313-W420 HydrophobicContact CD-CE3 4.43Å; K313-W420 HydrophobicContact CD-CH2 3.53Å; K313-W420 HydrophobicContact CD-CZ2 3.84Å; K313-W420 HydrophobicContact CD-CZ3 3.86Å; K313-W420 HydrophobicContact CG-CE3 4.4Å; K313-W420 HydrophobicContact CG-CH2 3.69Å; K313-W420 HydrophobicContact CG-CZ2 4.49Å; K313-W420 HydrophobicContact CG-CZ3 3.64Å
314N88.6Confident85.4Confident98 Ų9859 Ų5952%0.52430%0.298SS..SBendtrans57.132.9170.7-56.4-27.8000114.2G290 E291 I316 N352G290-N314 WeakPolarHBondContact CA-O 3.49Å; E291-N314 PolarHBondContact OE2-ND2 3Å; N314-I316 PolarHBondContact O-N 3.35Å; N314-N352 PolarHBondContact N-OD1 3.13Å
315L89.4Confident85.1Confident16 Ų1656.4 Ų56.48%0.08429%0.293CS..  trans-69.4126.8-177.2-63.2-175.5000111.7V289 C312 K313 W317 P353 V377 L389 L423V289-L315 WeakPolarHBondContact O-CA 2.91Å; C312-L315 HydrophobicContact CB-CD1 3.87Å; C312-L315 HydrophobicContact CB-CD2 3.9Å; C312-L315 HydrophobicContact CB-CG 4Å; K313-L315 VanDerWaalsContact C-N 3.26Å; K313-L315 PolarHBondContact O-N 3.23Å; L315-W317 HydrophobicContact CB-CZ2 4.06Å; L315-W317 HydrophobicContact CD1-CH2 4.17Å; L315-W317 HydrophobicContact CD1-CZ2 3.56Å; L315-W317 HydrophobicContact CG-CZ2 4.47Å; L315-P353 HydrophobicContact CD1-CG 4.08Å; L315-V377 HydrophobicContact CD1-CG1 4.26Å; L315-L389 HydrophobicContact CB-CD2 4.03Å; L315-L389 HydrophobicContact CD1-CD2 4.39Å; L315-L389 HydrophobicContact CD2-CD2 3.95Å; L315-L389 HydrophobicContact CG-CD2 4.35Å; L315-L423 HydrophobicContact CD2-CD1 3.45Å; L315-L423 VanDerWaalsContact CD2-CD1 3.45Å
316I86.8Confident84.9Confident95 Ų9556.4 Ų56.449%0.48729%0.293SS..  trans-104.792.2-176.2-51-177.3000110.4V289 N314 L389V289-I316 HydrophobicContact CB-CB 4.49Å; V289-I316 PolarHBondContact O-N 3.31Å; N314-I316 PolarHBondContact O-N 3.35Å; I316-L389 VanDerWaalsContact O-CD1 3.31Å; I316-L389 WeakPolarHBondContact O-CD1 3.28Å
317W83.8Confident84.8Confident24 Ų2456.2 Ų56.29%0.09129%0.29CS..  trans-72.6142.8-176.2-58.1101.9000113.6L315 N319 A324 P326 E379 L389L315-W317 HydrophobicContact CB-CZ2 4.06Å; L315-W317 HydrophobicContact CD1-CH2 4.17Å; L315-W317 HydrophobicContact CD1-CZ2 3.56Å; L315-W317 HydrophobicContact CG-CZ2 4.47Å; W317-N319 PolarHBondContact O-N 2.92Å; W317-A324 HydrophobicContact CD2-CB 3.71Å; W317-A324 VanDerWaalsContact CE2-CB 3.44Å; W317-A324 HydrophobicContact CE3-CB 4.15Å; W317-A324 HydrophobicContact CG-CB 4.22Å; W317-A324 HydrophobicContact CH2-CB 4.14Å; W317-A324 HydrophobicContact CZ2-CB 3.67Å; W317-A324 HydrophobicContact CZ3-CB 4.36Å; W317-P326 HydrophobicContact CH2-CB 3.83Å; W317-P326 HydrophobicContact CZ2-CB 4.08Å; W317-E379 HydrophobicContact CE3-CB 4.31Å; W317-E379 HydrophobicContact CZ3-CB 3.78Å; W317-E379 HydrophobicContact CZ3-CG 4.32Å; W317-L389 HydrophobicContact CD2-CD1 4.33Å; W317-L389 HydrophobicContact CD2-CD2 4.39Å; W317-L389 HydrophobicContact CE3-CD1 3.75Å; W317-L389 HydrophobicContact CE3-CD2 4.07Å; W317-L389 HydrophobicContact CE3-CG 4.39Å; W317-L389 HydrophobicContact CH2-CD2 3.96Å; W317-L389 HydrophobicContact CZ2-CD2 4.31Å; W317-L389 HydrophobicContact CZ3-CB 4.21Å; W317-L389 HydrophobicContact CZ3-CD1 4.1Å; W317-L389 HydrophobicContact CZ3-CD2 3.83Å; W317-L389 HydrophobicContact CZ3-CG 4.28Å
318T70.8Confident84.8Confident77 Ų7756.2 Ų56.247%0.47229%0.29SS..THydrogen-bonded Turntrans-63.6-12.9-17317.80000116.1E387T318-E387 PolarHBondContact OG1-OE1 3.47Å
319N64.7Low84.7Confident94 Ų9454.8 Ų54.850%0.50328%0.28SS..THydrogen-bonded Turntrans-128.319.8-167.1-70.8-66.5000114.1W317 K321W317-N319 PolarHBondContact O-N 2.92Å; N319-K321 HydrophobicContact CB-CD 4.33Å; N319-K321 HydrophobicContact CB-CG 3.95Å; N319-K321 PolarHBondContact O-N 3.4Å
320E58.4Low84.6Confident189 Ų18954.8 Ų54.888%0.88328%0.28SS*.  trans53.216.9-176.7-59.8-175170.600114.9N322E320-N322 PolarHBondContact O-N 3.43Å
321K63.2Low84.6Confident83 Ų8355.3 Ų55.336%0.36128%0.279SS..  trans-70.8129.4179.7-59.5176.3-167.4156.20109.8N319 T323 E379N319-K321 HydrophobicContact CB-CD 4.33Å; N319-K321 HydrophobicContact CB-CG 3.95Å; N319-K321 PolarHBondContact O-N 3.4Å; K321-T323 WeakPolarHBondContact CB-O 3.25Å; K321-T323 PolarHBondContact O-N 2.88Å; K321-E379 IonicContact NZ-OE1 3.85Å; K321-E379 PolarHBondContact NZ-OE1 3.03Å; K321-E379 IonicContact NZ-OE2 2.76Å; K321-E379 PolarHBondContact NZ-OE2 3.4Å
322N65.5Low84.6Confident148 Ų14851.4 Ų51.479%0.79126%0.262SS*.SBendtrans-73.2-7.4167.9-71.9-22.6000113.2E320 T351E320-N322 PolarHBondContact O-N 3.43Å; N322-T351 WeakPolarHBondContact O-CG2 3.22Å
323T71.3Confident84.4Confident78 Ų7852 Ų5248%0.47927%0.266SS..  trans-128129.7-174.662.40000109.9K321 D349K321-T323 WeakPolarHBondContact CB-O 3.25Å; K321-T323 PolarHBondContact O-N 2.88Å; T323-D349 VanDerWaalsContact CA-OD1 3.24Å; T323-D349 WeakPolarHBondContact CA-OD1 3.44Å; T323-D349 WeakPolarHBondContact CB-OD1 3.29Å; T323-D349 WeakPolarHBondContact CG2-OD1 3.18Å
324A83.1Confident84.4Confident3 Ų351.9 Ų51.93%0.02527%0.266CS..  trans-152.5150.8-177.100000111.4W317 P326 D349 D350W317-A324 HydrophobicContact CD2-CB 3.71Å; W317-A324 VanDerWaalsContact CE2-CB 3.44Å; W317-A324 HydrophobicContact CE3-CB 4.15Å; W317-A324 HydrophobicContact CG-CB 4.22Å; W317-A324 HydrophobicContact CH2-CB 4.14Å; W317-A324 HydrophobicContact CZ2-CB 3.67Å; W317-A324 HydrophobicContact CZ3-CB 4.36Å; A324-P326 VanDerWaalsContact C-CD 3.4Å; A324-P326 WeakPolarHBondContact O-CD 3.29Å; A324-D349 VanDerWaalsContact O-CA 3.3Å; A324-D349 WeakPolarHBondContact O-CA 3.43Å; A324-D349 PolarHBondContact O-N 2.87Å; A324-D349 VanDerWaalsContact O-N 3.08Å; A324-D350 PolarHBondContact O-N 2.85Å
325D91.6Very high84Confident53 Ų5352.9 Ų52.928%0.28327%0.271SS..  trans-109.373.5-179.3-81.611.7000111.4T346 K347 R348 D349 A380D325-T346 HydrophobicContact CB-CG2 3.87Å; D325-K347 CarbonylContact C-O 3.27Å; D325-K347 VanDerWaalsContact C-O 3.27Å; D325-K347 WeakPolarHBondContact CA-O 3.43Å; D325-R348 VanDerWaalsContact OD1-CA 3.23Å; D325-R348 WeakPolarHBondContact OD1-CA 3.35Å; D325-D349 PolarHBondContact OD1-N 2.8Å; D325-A380 HydrophobicContact CB-CB 3.93Å; D325-A380 WeakPolarHBondContact O-CB 3.4Å; D325-A380 PolarHBondContact O-N 3.44Å
326P94.2Very high83.3Confident0 Ų054.9 Ų54.90%030%0.296CS..EExtended strand (participates in β ladder)trans-71.1145.8-173.429.9-39.3000114.4W317 A324 T346 K347 D350 P353 F355 A378W317-P326 HydrophobicContact CH2-CB 3.83Å; W317-P326 HydrophobicContact CZ2-CB 4.08Å; A324-P326 VanDerWaalsContact C-CD 3.4Å; A324-P326 WeakPolarHBondContact O-CD 3.29Å; P326-T346 WeakPolarHBondContact O-CA 3.47Å; P326-K347 VanDerWaalsContact CD-O 3.3Å; P326-K347 WeakPolarHBondContact CD-O 3.32Å; P326-K347 HydrophobicContact CG-CB 4.17Å; P326-K347 PolarHBondContact O-N 2.9Å; P326-D350 VanDerWaalsContact CD-O 3.28Å; P326-D350 WeakPolarHBondContact CD-O 3.14Å; P326-D350 WeakPolarHBondContact CG-O 3.45Å; P326-P353 HydrophobicContact CB-CB 4.3Å; P326-P353 HydrophobicContact CB-CG 3.85Å; P326-P353 HydrophobicContact CG-CB 3.55Å; P326-P353 HydrophobicContact CG-CG 3.52Å; P326-F355 HydrophobicContact CB-CZ 4.3Å; P326-A378 CarbonylContact C-O 3.57Å; P326-A378 WeakPolarHBondContact CA-O 3.35Å
327F95.9Very high83.1Confident18 Ų1859.5 Ų59.58%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-146.6160.8163.572.3-74000111.4K329 K343 A378 A380F327-K329 HydrophobicContact CD2-CG 4.16Å; F327-K329 HydrophobicContact CE2-CD 4.07Å; F327-K329 HydrophobicContact CE2-CG 3.68Å; F327-K329 HydrophobicContact CZ-CD 4.4Å; F327-K329 HydrophobicContact CZ-CG 4.47Å; F327-K343 HydrophobicContact CD2-CB 4.46Å; F327-A378 HydrophobicContact CD1-CB 4.11Å; F327-A378 VanDerWaalsContact CD1-O 3.27Å; F327-A378 WeakPolarHBondContact CD1-O 3.32Å; F327-A378 HydrophobicContact CE1-CB 3.67Å; F327-A378 HydrophobicContact CZ-CB 3.92Å; F327-A378 PolarHBondContact N-O 3.27Å; F327-A378 PolarHBondContact O-N 2.96Å; F327-A380 HydrophobicContact CD1-CB 4.15Å; F327-A380 HydrophobicContact CE1-CB 4.19Å
328V97.5Very high83.4Confident0 Ų064.9 Ų64.90%033%0.331CS..EExtended strand (participates in β ladder)trans-114.5131.3-177.4-172.10000110.6I292 V309 V330 K343 T344 F355 V375 T376 V377I292-V328 HydrophobicContact CD1-CG1 3.99Å; I292-V328 HydrophobicContact CD1-CG2 4.09Å; V309-V328 HydrophobicContact CG1-CB 4.08Å; V309-V328 HydrophobicContact CG1-CG1 4.27Å; V309-V328 HydrophobicContact CG1-CG2 3.78Å; V309-V328 HydrophobicContact CG2-CG1 4.22Å; V328-V330 HydrophobicContact CG1-CG2 4.3Å; V328-K343 CarbonylContact O-C 3.58Å; V328-K343 WeakPolarHBondContact O-CA 3.48Å; V328-T344 HydrophobicContact CB-CG2 3.88Å; V328-T344 HydrophobicContact CG2-CG2 4.43Å; V328-T344 PolarHBondContact N-OG1 3.41Å; V328-T344 PolarHBondContact O-N 3.2Å; V328-F355 HydrophobicContact CG2-CD2 4.09Å; V328-F355 HydrophobicContact CG2-CE1 4.38Å; V328-F355 HydrophobicContact CG2-CE2 3.58Å; V328-F355 HydrophobicContact CG2-CZ 3.76Å; V328-V375 HydrophobicContact CG1-CG1 3.39Å; V328-T376 CarbonylContact C-O 3.57Å; V328-T376 WeakPolarHBondContact CA-O 3.41Å; V328-V377 HydrophobicContact CG2-CG2 4.16Å
329K96.3Very high84.5Confident10 Ų1065.6 Ų65.64%0.04333%0.331CS..EExtended strand (participates in β ladder)trans-102.9115.5174-55.6167.3-168.3170.40107.4F327 Y331 T376 A378 R385 G386 N388F327-K329 HydrophobicContact CD2-CG 4.16Å; F327-K329 HydrophobicContact CE2-CD 4.07Å; F327-K329 HydrophobicContact CE2-CG 3.68Å; F327-K329 HydrophobicContact CZ-CD 4.4Å; F327-K329 HydrophobicContact CZ-CG 4.47Å; K329-Y331 HydrophobicContact CB-CD2 4.46Å; K329-Y331 HydrophobicContact CB-CE2 3.65Å; K329-T376 PolarHBondContact N-O 2.88Å; K329-T376 PolarHBondContact O-N 3.35Å; K329-A378 HydrophobicContact CD-CB 4.35Å; K329-R385 PolarHBondContact NZ-O 3.01Å; K329-G386 PolarHBondContact NZ-O 2.96Å; K329-N388 PolarHBondContact NZ-OD1 2.71Å
330V97.8Very high86Confident0 Ų063.2 Ų63.20%032%0.322CS..EExtended strand (participates in β ladder)trans-104.3116.1175.9-175.90000108.7V307 V309 V328 K341 K342 M359 F361 L373 V375V307-V330 HydrophobicContact CG1-CG1 4.36Å; V309-V330 HydrophobicContact CG2-CG2 3.91Å; V328-V330 HydrophobicContact CG1-CG2 4.3Å; V330-K341 CarbonylContact O-C 3.54Å; V330-K341 WeakPolarHBondContact O-CA 3.48Å; V330-K342 PolarHBondContact N-O 3.4Å; V330-K342 PolarHBondContact O-N 3.14Å; V330-M359 HydrophobicContact CG2-CG 4.18Å; V330-F361 HydrophobicContact CB-CZ 4.25Å; V330-F361 HydrophobicContact CG1-CE2 3.81Å; V330-F361 HydrophobicContact CG1-CZ 3.7Å; V330-L373 HydrophobicContact CG1-CD2 4.34Å; V330-V375 HydrophobicContact CG1-CG2 4.35Å; V330-V375 HydrophobicContact CG2-CG1 4.36Å; V330-V375 HydrophobicContact CG2-CG2 4.46Å
331Y95.9Very high87.8Confident25 Ų2560 Ų6010%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-105.8138.3176.2-55.6-91.8000109.9K329 K338 S340 K341 L373 R374K329-Y331 HydrophobicContact CB-CD2 4.46Å; K329-Y331 HydrophobicContact CB-CE2 3.65Å; Y331-K338 HydrophobicContact CD1-CD 3.99Å; Y331-K338 HydrophobicContact CD1-CG 4.11Å; Y331-K338 HydrophobicContact CE1-CD 4.2Å; Y331-S340 WeakPolarHBondContact CA-O 3.33Å; Y331-K341 HydrophobicContact CD1-CB 3.99Å; Y331-K341 HydrophobicContact CD1-CD 4.17Å; Y331-K341 HydrophobicContact CD1-CG 3.79Å; Y331-K341 HydrophobicContact CE1-CB 4.22Å; Y331-K341 HydrophobicContact CE1-CD 3.52Å; Y331-K341 HydrophobicContact CE1-CG 3.63Å; Y331-K341 WeakPolarHBondContact OH-CE 3.38Å; Y331-K341 PolarHBondContact OH-NZ 3.43Å; Y331-L373 WeakPolarHBondContact O-CA 3.43Å; Y331-R374 HydrophobicContact CD2-CB 4.39Å; Y331-R374 HydrophobicContact CD2-CG 4.26Å; Y331-R374 WeakPolarHBondContact CD2-O 3.38Å; Y331-R374 PolarHBondContact N-O 2.87Å; Y331-R374 PolarHBondContact O-N 2.78Å
332L96.4Very high89.4Confident4 Ų459.8 Ų59.82%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-98.4129.3164-172.967.7000107.9L305 I339 S340 F361 V363 L371 L373L305-L332 HydrophobicContact CD2-CD1 4.3Å; L332-I339 HydrophobicContact CB-CG1 4.14Å; L332-I339 HydrophobicContact CD2-CD1 3.74Å; L332-I339 HydrophobicContact CD2-CG1 4.06Å; L332-I339 HydrophobicContact CG-CD1 3.95Å; L332-I339 HydrophobicContact CG-CG1 3.92Å; L332-I339 WeakPolarHBondContact O-CG1 3.12Å; L332-I339 PolarHBondContact O-N 2.92Å; L332-S340 PolarHBondContact N-O 2.77Å; L332-S340 PolarHBondContact O-N 3.5Å; L332-F361 HydrophobicContact CB-CD1 4.06Å; L332-F361 HydrophobicContact CB-CE1 4.11Å; L332-F361 HydrophobicContact CD2-CB 4.25Å; L332-F361 HydrophobicContact CD2-CD1 4.18Å; L332-F361 HydrophobicContact CD2-CG 4.4Å; L332-V363 HydrophobicContact CD2-CG2 3.77Å; L332-L371 HydrophobicContact CD1-CB 4.23Å; L332-L371 HydrophobicContact CD1-CD1 4.43Å; L332-L371 HydrophobicContact CD2-CD1 4.42Å; L332-L371 HydrophobicContact CG-CD2 4.49Å; L332-L373 HydrophobicContact CD1-CD2 3.77Å
333L92Very high90.9Very high17 Ų1759.2 Ų59.29%0.08929%0.294CS..EExtended strand (participates in β ladder)trans-117.4145.5-176-49.4-177.4000110.5R337 K338 L371 S372 R374L333-R337 CarbonylContact C-O 3.42Å; L333-R337 WeakPolarHBondContact CA-O 3.06Å; L333-K338 HydrophobicContact CD2-CB 4.19Å; L333-K338 HydrophobicContact CD2-CG 3.48Å; L333-K338 VanDerWaalsContact CD2-CG 3.48Å; L333-L371 VanDerWaalsContact O-CA 3.32Å; L333-L371 WeakPolarHBondContact O-CA 3.49Å; L333-L371 WeakPolarHBondContact O-CD2 3.29Å; L333-S372 WeakPolarHBondContact CA-O 3.33Å; L333-S372 WeakPolarHBondContact CB-O 3.44Å; L333-S372 PolarHBondContact N-O 3.41Å; L333-S372 PolarHBondContact O-N 3.37Å; L333-R374 HydrophobicContact CD1-CB 3.9Å; L333-R374 HydrophobicContact CG-CB 4.36Å
334Q89.1Confident92.1Very high58 Ų5855.8 Ų55.827%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-131.9127.9165.2-167.6173.811.900107G336 R337 I339 E370 L371Q334-G336 PolarHBondContact O-N 2.92Å; Q334-R337 PolarHBondContact N-O 2.93Å; Q334-R337 WeakPolarHBondContact O-CA 3.09Å; Q334-R337 WeakPolarHBondContact O-CB 3.36Å; Q334-R337 PolarHBondContact O-N 2.69Å; Q334-I339 HydrophobicContact CB-CD1 4.38Å; Q334-I339 HydrophobicContact CB-CG2 4.05Å; Q334-E370 PolarHBondContact NE2-OE2 3.2Å; Q334-E370 VanDerWaalsContact NE2-OE2 3.13Å; Q334-L371 HydrophobicContact CB-CD2 3.6Å; Q334-L371 HydrophobicContact CG-CD2 3.91Å
335D80.6Confident92.7Very high118 Ų11858.3 Ų58.363%0.63129%0.29SS*.THydrogen-bonded Turntrans48.443.7-174.7-46-36.4000112.8R337D335-R337 PolarHBondContact O-N 2.93Å
336G75.4Confident92.9Very high58 Ų5858.7 Ų58.760%0.59830%0.295SS*.THydrogen-bonded Turntrans68.9-9-173.300000116.3Q334Q334-G336 PolarHBondContact O-N 2.92Å
337R80.9Confident92.9Very high192 Ų19261.1 Ų61.173%0.72531%0.305SS*.EExtended strand (participates in β ladder)trans-85.5134-178-59.7176.5-179-178.21.5111.5L333 Q334 D335 I339L333-R337 CarbonylContact C-O 3.42Å; L333-R337 WeakPolarHBondContact CA-O 3.06Å; Q334-R337 PolarHBondContact N-O 2.93Å; Q334-R337 WeakPolarHBondContact O-CA 3.09Å; Q334-R337 WeakPolarHBondContact O-CB 3.36Å; Q334-R337 PolarHBondContact O-N 2.69Å; D335-R337 PolarHBondContact O-N 2.93Å; R337-I339 PolarHBondContact O-N 2.82Å
338K90.8Very high92.6Very high138 Ų13870.1 Ų70.160%0.634%0.339SS*.EExtended strand (participates in β ladder)trans-72.7107.1179.7-67.3162.3-175.7162.30110.9Y331 L333Y331-K338 HydrophobicContact CD1-CD 3.99Å; Y331-K338 HydrophobicContact CD1-CG 4.11Å; Y331-K338 HydrophobicContact CE1-CD 4.2Å; L333-K338 HydrophobicContact CD2-CB 4.19Å; L333-K338 HydrophobicContact CD2-CG 3.48Å; L333-K338 VanDerWaalsContact CD2-CG 3.48Å
339I93.8Very high92.2Very high91 Ų9175.1 Ų75.147%0.46737%0.366SS..EExtended strand (participates in β ladder)trans-95.9-24.6176.863.1164.4000113.2L332 Q334 R337 L371L332-I339 HydrophobicContact CB-CG1 4.14Å; L332-I339 HydrophobicContact CD2-CD1 3.74Å; L332-I339 HydrophobicContact CD2-CG1 4.06Å; L332-I339 HydrophobicContact CG-CD1 3.95Å; L332-I339 HydrophobicContact CG-CG1 3.92Å; L332-I339 WeakPolarHBondContact O-CG1 3.12Å; L332-I339 PolarHBondContact O-N 2.92Å; Q334-I339 HydrophobicContact CB-CD1 4.38Å; Q334-I339 HydrophobicContact CB-CG2 4.05Å; R337-I339 PolarHBondContact O-N 2.82Å; I339-L371 HydrophobicContact CD1-CD2 3.62Å
340S95.8Very high91.6Very high44 Ų4477.1 Ų77.131%0.30838%0.377SS..EExtended strand (participates in β ladder)trans-148.2155.6174.3-158.90000112Y331 L332Y331-S340 WeakPolarHBondContact CA-O 3.33Å; L332-S340 PolarHBondContact N-O 2.77Å; L332-S340 PolarHBondContact O-N 3.5Å
341K95.9Very high90.8Very high121 Ų12179.4 Ų79.453%0.52639%0.391SS..EExtended strand (participates in β ladder)trans-141.8134.3176.5-177-173.8-174.1174.30110V330 Y331V330-K341 CarbonylContact O-C 3.54Å; V330-K341 WeakPolarHBondContact O-CA 3.48Å; Y331-K341 HydrophobicContact CD1-CB 3.99Å; Y331-K341 HydrophobicContact CD1-CD 4.17Å; Y331-K341 HydrophobicContact CD1-CG 3.79Å; Y331-K341 HydrophobicContact CE1-CB 4.22Å; Y331-K341 HydrophobicContact CE1-CD 3.52Å; Y331-K341 HydrophobicContact CE1-CG 3.63Å; Y331-K341 WeakPolarHBondContact OH-CE 3.38Å; Y331-K341 PolarHBondContact OH-NZ 3.43Å
342K97.7Very high90.4Very high79 Ų7981.8 Ų81.834%0.34341%0.405SS..EExtended strand (participates in β ladder)trans-129.3159.9167.9-61.3-176.1179.2-126.20109.2V330 M359 I360 F361V330-K342 PolarHBondContact N-O 3.4Å; V330-K342 PolarHBondContact O-N 3.14Å; K342-M359 HydrophobicContact CB-CB 4.34Å; K342-M359 HydrophobicContact CB-CG 4.22Å; K342-M359 HydrophobicContact CB-SD 3.63Å; K342-M359 HydrophobicContact CD-CB 4.1Å; K342-M359 HydrophobicContact CD-SD 4.35Å; K342-I360 WeakPolarHBondContact CE-O 3.24Å; K342-I360 PolarHBondContact NZ-O 2.97Å; K342-F361 HydrophobicContact CB-CZ 4.21Å; K342-F361 HydrophobicContact CD-CD1 4.31Å; K342-F361 HydrophobicContact CD-CE1 3.81Å; K342-F361 HydrophobicContact CD-CE2 4.29Å; K342-F361 HydrophobicContact CD-CZ 3.79Å; K342-F361 HydrophobicContact CG-CE1 3.86Å; K342-F361 HydrophobicContact CG-CZ 3.92Å
343K96.3Very high90.3Very high137 Ų13781.6 Ų81.660%0.59640%0.404SS*.EExtended strand (participates in β ladder)trans-138.9149.9175.366.1168-173.5167.50110.6F327 V328 M359F327-K343 HydrophobicContact CD2-CB 4.46Å; V328-K343 CarbonylContact O-C 3.58Å; V328-K343 WeakPolarHBondContact O-CA 3.48Å; K343-M359 WeakPolarHBondContact O-CE 3.4Å
344T97.6Very high90.5Very high6 Ų685 Ų854%0.03742%0.422CS..PPolyproline II helixtrans-74.4173.5171.561.90000111.8V309 V328 F355 E357 M359V309-T344 HydrophobicContact CB-CG2 4.03Å; V309-T344 HydrophobicContact CG1-CG2 4.08Å; V309-T344 HydrophobicContact CG2-CG2 4.13Å; V328-T344 HydrophobicContact CB-CG2 3.88Å; V328-T344 HydrophobicContact CG2-CG2 4.43Å; V328-T344 PolarHBondContact N-OG1 3.41Å; V328-T344 PolarHBondContact O-N 3.2Å; T344-F355 HydrophobicContact CG2-CB 4.34Å; T344-F355 HydrophobicContact CG2-CD1 3.97Å; T344-F355 HydrophobicContact CG2-CG 4.18Å; T344-F355 WeakPolarHBondContact OG1-CD1 3.39Å; T344-F355 WeakPolarHBondContact OG1-CE1 3.31Å; T344-E357 WeakPolarHBondContact CA-OE2 3.46Å; T344-E357 WeakPolarHBondContact CB-OE1 3.35Å; T344-E357 WeakPolarHBondContact CB-OE2 3.33Å; T344-E357 HydrophobicContact CG2-CB 4.24Å; T344-M359 HydrophobicContact CG2-CE 3.7Å
345S95.8Very high90.9Very high55 Ų5582.8 Ų82.839%0.38541%0.411SS..PPolyproline II helixtrans-58.6155.3153.471.50000111.1K347 F355 E357S345-K347 WeakPolarHBondContact OG-CE 3.45Å; S345-F355 WeakPolarHBondContact O-CE1 3.32Å; S345-E357 VanDerWaalsContact CB-OE1 3.29Å; S345-E357 WeakPolarHBondContact CB-OE1 3.47Å; S345-E357 VanDerWaalsContact N-CD 3.32Å; S345-E357 PolarHBondContact N-OE1 2.88Å; S345-E357 PolarHBondContact N-OE2 3.3Å; S345-E357 PolarHBondContact OG-OE1 2.78Å
346T95.3Very high91.7Very high61 Ų6182.5 Ų82.537%0.37441%0.41SS..PPolyproline II helixtrans-86.8126.7169.5-60.50000108.4D325 P326 A380D325-T346 HydrophobicContact CB-CG2 3.87Å; P326-T346 WeakPolarHBondContact O-CA 3.47Å; T346-A380 HydrophobicContact CG2-CB 3.75Å
347K94.4Very high92.8Very high51 Ų5181.8 Ų81.822%0.22239%0.391CS..PPolyproline II helixtrans-84.8140.7164.8-50.9-65159.41550106.9D325 P326 S345 D350 P353 I354 F355D325-K347 CarbonylContact C-O 3.27Å; D325-K347 VanDerWaalsContact C-O 3.27Å; D325-K347 WeakPolarHBondContact CA-O 3.43Å; P326-K347 VanDerWaalsContact CD-O 3.3Å; P326-K347 WeakPolarHBondContact CD-O 3.32Å; P326-K347 HydrophobicContact CG-CB 4.17Å; P326-K347 PolarHBondContact O-N 2.9Å; S345-K347 WeakPolarHBondContact OG-CE 3.45Å; K347-D350 HydrophobicContact CB-CB 4.09Å; K347-P353 HydrophobicContact CB-CB 4.11Å; K347-P353 HydrophobicContact CG-CB 3.83Å; K347-I354 WeakPolarHBondContact CE-O 3.37Å; K347-I354 PolarHBondContact NZ-O 2.99Å; K347-F355 HydrophobicContact CG-CD1 4.06Å; K347-F355 HydrophobicContact CG-CE1 3.74Å; K347-F355 HydrophobicContact CG-CZ 4.32Å
348R90.6Very high93.6Very high207 Ų20775.6 Ų75.678%0.78138%0.381SS*.SBendtrans-102.6138.4180-70.5-176179.8156.9-0.2109.6D325 D350D325-R348 VanDerWaalsContact OD1-CA 3.23Å; D325-R348 WeakPolarHBondContact OD1-CA 3.35Å; R348-D350 VanDerWaalsContact C-N 3.29Å; R348-D350 PolarHBondContact O-N 2.84Å
349D87.2Confident93.9Very high106 Ų10669.9 Ų69.957%0.56736%0.356SS*.SBendtrans48.349.1175.7-160.211.3000113.5T323 A324 D325T323-D349 VanDerWaalsContact CA-OD1 3.24Å; T323-D349 WeakPolarHBondContact CA-OD1 3.44Å; T323-D349 WeakPolarHBondContact CB-OD1 3.29Å; T323-D349 WeakPolarHBondContact CG2-OD1 3.18Å; A324-D349 VanDerWaalsContact O-CA 3.3Å; A324-D349 WeakPolarHBondContact O-CA 3.43Å; A324-D349 PolarHBondContact O-N 2.87Å; A324-D349 VanDerWaalsContact O-N 3.08Å; D325-D349 PolarHBondContact OD1-N 2.8Å
350D84.9Confident94.1Very high51 Ų5169.2 Ų69.227%0.27335%0.353SS..  trans-137.2110.7-173.6-172.5-13000110.5A324 P326 K347 R348 N352 P353A324-D350 PolarHBondContact O-N 2.85Å; P326-D350 VanDerWaalsContact CD-O 3.28Å; P326-D350 WeakPolarHBondContact CD-O 3.14Å; P326-D350 WeakPolarHBondContact CG-O 3.45Å; K347-D350 HydrophobicContact CB-CB 4.09Å; R348-D350 VanDerWaalsContact C-N 3.29Å; R348-D350 PolarHBondContact O-N 2.84Å; D350-N352 PolarHBondContact OD1-N 3.43Å; D350-P353 WeakPolarHBondContact OD2-CA 3.46Å
351T81.5Confident94.2Very high48 Ų4867.3 Ų67.329%0.29434%0.339SS..SBendtrans-84.3-12-179.754.60000113.6N322 P353N322-T351 WeakPolarHBondContact O-CG2 3.22Å; T351-P353 VanDerWaalsContact C-CD 3.44Å
352N86.7Confident94.2Very high75 Ų7566.6 Ų66.640%0.40135%0.349SS..SBendtrans-131.557.9-179.5-68.5-89.5000110.6C312 K313 N314 D350C312-N352 CarbonylContact O-C 3.58Å; K313-N352 WeakPolarHBondContact CA-OD1 3.43Å; N314-N352 PolarHBondContact N-OD1 3.13Å; D350-N352 PolarHBondContact OD1-N 3.43Å
353P93.3Very high94.1Very high0 Ų062.9 Ų62.90%033%0.333CS..  trans-65134.9-161.727.7-40.1000114.2K311 C312 L315 P326 K347 D350 T351 F355K311-P353 CarbonylContact C-O 3.58Å; K311-P353 WeakPolarHBondContact CA-O 3.46Å; K311-P353 WeakPolarHBondContact CB-O 3.34Å; C312-P353 HydrophobicContact CB-CG 3.92Å; C312-P353 PolarHBondContact N-O 2.86Å; L315-P353 HydrophobicContact CD1-CG 4.08Å; P326-P353 HydrophobicContact CB-CB 4.3Å; P326-P353 HydrophobicContact CB-CG 3.85Å; P326-P353 HydrophobicContact CG-CB 3.55Å; P326-P353 HydrophobicContact CG-CG 3.52Å; K347-P353 HydrophobicContact CB-CB 4.11Å; K347-P353 HydrophobicContact CG-CB 3.83Å; D350-P353 WeakPolarHBondContact OD2-CA 3.46Å; T351-P353 VanDerWaalsContact C-CD 3.44Å; P353-F355 HydrophobicContact CB-CD2 4.39Å; P353-F355 HydrophobicContact CB-CE1 4.38Å; P353-F355 HydrophobicContact CB-CE2 3.65Å; P353-F355 HydrophobicContact CB-CZ 3.64Å; P353-F355 HydrophobicContact CG-CE2 3.57Å; P353-F355 HydrophobicContact CG-CZ 3.76Å
354I96.5Very high94.1Very high90 Ų9058.9 Ų58.946%0.46232%0.321SS..EExtended strand (participates in β ladder)trans-102.9111.8170.8-56.2179000109.4K311 K347 N356K311-I354 HydrophobicContact CB-CB 4.36Å; K311-I354 HydrophobicContact CB-CG1 3.98Å; K311-I354 HydrophobicContact CB-CG2 4.49Å; K311-I354 HydrophobicContact CD-CG1 4.5Å; K347-I354 WeakPolarHBondContact CE-O 3.37Å; K347-I354 PolarHBondContact NZ-O 2.99Å; I354-N356 VanDerWaalsContact CG2-ND2 3.33Å; I354-N356 WeakPolarHBondContact CG2-ND2 3Å
355F97.6Very high93.9Very high10 Ų1061.2 Ų61.24%0.04434%0.338CS..EExtended strand (participates in β ladder)trans-91.2-58.8179.4-60.9-79.4000111.5V309 A310 P326 V328 T344 S345 K347 P353 E357V309-F355 HydrophobicContact CB-CB 4.42Å; V309-F355 HydrophobicContact CG1-CB 4Å; V309-F355 HydrophobicContact CG1-CD2 3.7Å; V309-F355 HydrophobicContact CG1-CE2 4.47Å; V309-F355 HydrophobicContact CG1-CG 4Å; V309-F355 WeakPolarHBondContact O-CB 3.28Å; A310-F355 PolarHBondContact O-N 2.54Å; P326-F355 HydrophobicContact CB-CZ 4.3Å; V328-F355 HydrophobicContact CG2-CD2 4.09Å; V328-F355 HydrophobicContact CG2-CE1 4.38Å; V328-F355 HydrophobicContact CG2-CE2 3.58Å; V328-F355 HydrophobicContact CG2-CZ 3.76Å; T344-F355 HydrophobicContact CG2-CB 4.34Å; T344-F355 HydrophobicContact CG2-CD1 3.97Å; T344-F355 HydrophobicContact CG2-CG 4.18Å; T344-F355 WeakPolarHBondContact OG1-CD1 3.39Å; T344-F355 WeakPolarHBondContact OG1-CE1 3.31Å; S345-F355 WeakPolarHBondContact O-CE1 3.32Å; K347-F355 HydrophobicContact CG-CD1 4.06Å; K347-F355 HydrophobicContact CG-CE1 3.74Å; K347-F355 HydrophobicContact CG-CZ 4.32Å; P353-F355 HydrophobicContact CB-CD2 4.39Å; P353-F355 HydrophobicContact CB-CE1 4.38Å; P353-F355 HydrophobicContact CB-CE2 3.65Å; P353-F355 HydrophobicContact CB-CZ 3.64Å; P353-F355 HydrophobicContact CG-CE2 3.57Å; P353-F355 HydrophobicContact CG-CZ 3.76Å; F355-E357 VanDerWaalsContact C-N 3.27Å; F355-E357 HydrophobicContact CB-CG 4.37Å; F355-E357 PolarHBondContact O-N 3.39Å
356N97.4Very high93.9Very high112 Ų11262.8 Ų62.860%0.59935%0.354SS*.EExtended strand (participates in β ladder)trans52.939.4-169.7-63.6-32.1000113.7V309 A310 I354V309-N356 CarbonylContact O-C 3.52Å; V309-N356 VanDerWaalsContact O-CA 3.29Å; V309-N356 WeakPolarHBondContact O-CA 3.4Å; V309-N356 PolarHBondContact O-N 3.27Å; A310-N356 PolarHBondContact O-N 3.11Å; A310-N356 PolarHBondContact O-OD1 2.93Å; I354-N356 VanDerWaalsContact CG2-ND2 3.33Å; I354-N356 WeakPolarHBondContact CG2-ND2 3Å
357E98.3Very high93.8Very high44 Ų4461.8 Ų61.821%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-107.3128.2-174-69.4179.3-127.500112.3V308 V309 T344 S345 F355 M359V308-E357 WeakPolarHBondContact CA-O 3.12Å; V309-E357 PolarHBondContact N-O 2.92Å; V309-E357 PolarHBondContact O-N 3.27Å; T344-E357 WeakPolarHBondContact CA-OE2 3.46Å; T344-E357 WeakPolarHBondContact CB-OE1 3.35Å; T344-E357 WeakPolarHBondContact CB-OE2 3.33Å; T344-E357 HydrophobicContact CG2-CB 4.24Å; S345-E357 VanDerWaalsContact CB-OE1 3.29Å; S345-E357 WeakPolarHBondContact CB-OE1 3.47Å; S345-E357 VanDerWaalsContact N-CD 3.32Å; S345-E357 PolarHBondContact N-OE1 2.88Å; S345-E357 PolarHBondContact N-OE2 3.3Å; S345-E357 PolarHBondContact OG-OE1 2.78Å; F355-E357 VanDerWaalsContact C-N 3.27Å; F355-E357 HydrophobicContact CB-CG 4.37Å; F355-E357 PolarHBondContact O-N 3.39Å; E357-M359 HydrophobicContact CB-CE 3.9Å
358A97.6Very high93.7Very high62 Ų6259.8 Ų59.851%0.51234%0.339SS..EExtended strand (participates in β ladder)trans-93.6117.1-178.500000112.6T306 V308T306-A358 HydrophobicContact CG2-CB 4.34Å; V308-A358 HydrophobicContact CG2-CB 4.18Å
359M97.6Very high93.7Very high17 Ų1755.2 Ų55.28%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-100.3111.3176.8-57.1-59.7161.200110V307 V330 K342 K343 T344 E357 F361V307-M359 HydrophobicContact CB-CB 4.36Å; V307-M359 PolarHBondContact N-O 3.41Å; V307-M359 WeakPolarHBondContact O-CB 3.41Å; V307-M359 PolarHBondContact O-N 2.91Å; V330-M359 HydrophobicContact CG2-CG 4.18Å; K342-M359 HydrophobicContact CB-CB 4.34Å; K342-M359 HydrophobicContact CB-CG 4.22Å; K342-M359 HydrophobicContact CB-SD 3.63Å; K342-M359 HydrophobicContact CD-CB 4.1Å; K342-M359 HydrophobicContact CD-SD 4.35Å; K343-M359 WeakPolarHBondContact O-CE 3.4Å; T344-M359 HydrophobicContact CG2-CE 3.7Å; E357-M359 HydrophobicContact CB-CE 3.9Å; M359-F361 HydrophobicContact CB-CE2 3.97Å; M359-F361 HydrophobicContact CB-CZ 4.44Å
360I97.7Very high93.9Very high77 Ų7754.8 Ų54.840%0.39532%0.322SS..EExtended strand (participates in β ladder)trans-102125.3-175.8-59.5178.2000110.8R304 T306 K342R304-I360 HydrophobicContact CG-CG2 3.51Å; T306-I360 HydrophobicContact CG2-CG1 4.26Å; K342-I360 WeakPolarHBondContact CE-O 3.24Å; K342-I360 PolarHBondContact NZ-O 2.97Å
361F97.8Very high94.4Very high5 Ų552.5 Ų52.52%0.02231%0.31CS..EExtended strand (participates in β ladder)trans-114.8141.7175.2-58.4-89.6000110.9L305 V307 V330 L332 K342 M359 V363 L373L305-F361 HydrophobicContact CB-CB 4.39Å; L305-F361 PolarHBondContact N-O 3.02Å; L305-F361 PolarHBondContact O-N 2.99Å; V307-F361 HydrophobicContact CG2-CD2 4.23Å; V307-F361 HydrophobicContact CG2-CE2 4.03Å; V330-F361 HydrophobicContact CB-CZ 4.25Å; V330-F361 HydrophobicContact CG1-CE2 3.81Å; V330-F361 HydrophobicContact CG1-CZ 3.7Å; L332-F361 HydrophobicContact CB-CD1 4.06Å; L332-F361 HydrophobicContact CB-CE1 4.11Å; L332-F361 HydrophobicContact CD2-CB 4.25Å; L332-F361 HydrophobicContact CD2-CD1 4.18Å; L332-F361 HydrophobicContact CD2-CG 4.4Å; K342-F361 HydrophobicContact CB-CZ 4.21Å; K342-F361 HydrophobicContact CD-CD1 4.31Å; K342-F361 HydrophobicContact CD-CE1 3.81Å; K342-F361 HydrophobicContact CD-CE2 4.29Å; K342-F361 HydrophobicContact CD-CZ 3.79Å; K342-F361 HydrophobicContact CG-CE1 3.86Å; K342-F361 HydrophobicContact CG-CZ 3.92Å; M359-F361 HydrophobicContact CB-CE2 3.97Å; M359-F361 HydrophobicContact CB-CZ 4.44Å; F361-V363 HydrophobicContact CB-CG2 4.01Å; F361-L373 HydrophobicContact CE2-CD2 4.48Å
362S96.8Very high94.9Very high106 Ų10650.6 Ų50.674%0.74130%0.298SS*.EExtended strand (participates in β ladder)trans-87114.7170.1-168.30000107.8E303E303-S362 CarbonylContact O-C 3.47Å; E303-S362 WeakPolarHBondContact O-CA 3.43Å
363V96.3Very high95.4Very high1 Ų147 Ų471%0.00628%0.279CS..  trans-138.3106.3-171.5172.40000109Y298 E303 L305 L332 F361 L368 L371Y298-V363 HydrophobicContact CE2-CB 4.18Å; Y298-V363 HydrophobicContact CE2-CG1 4.23Å; Y298-V363 WeakPolarHBondContact CE2-O 3.33Å; Y298-V363 PolarHBondContact OH-O 3.2Å; E303-V363 CarbonylContact C-O 3.53Å; E303-V363 VanDerWaalsContact C-O 3.32Å; E303-V363 WeakPolarHBondContact CA-O 3.38Å; E303-V363 WeakPolarHBondContact CB-O 3.13Å; E303-V363 CarbonylContact O-C 3.52Å; E303-V363 PolarHBondContact O-N 3.15Å; L305-V363 HydrophobicContact CB-CB 4.27Å; L305-V363 HydrophobicContact CB-CG2 3.98Å; L305-V363 HydrophobicContact CD2-CG2 4.29Å; L332-V363 HydrophobicContact CD2-CG2 3.77Å; F361-V363 HydrophobicContact CB-CG2 4.01Å; V363-L368 HydrophobicContact CG1-CB 4.21Å; V363-L368 HydrophobicContact CG1-CD1 3.63Å; V363-L371 HydrophobicContact CB-CD1 4.34Å; V363-L371 HydrophobicContact CG1-CD1 3.42Å; V363-L371 VanDerWaalsContact CG1-CD1 3.42Å; V363-L371 HydrophobicContact CG2-CD1 4.08Å
364P96.3Very high95.4Very high53 Ų5350.2 Ų50.234%0.34429%0.291SS..  trans-60.6141.1176.4-23.834000112.4E303 A366 V367 L368E303-P364 VanDerWaalsContact CD-CA 3.48Å; E303-P364 WeakPolarHBondContact OE1-CA 3.33Å; E303-P364 WeakPolarHBondContact OE1-CB 3.45Å; P364-A366 PolarHBondContact O-N 2.96Å; P364-A366 VanDerWaalsContact O-N 3.15Å; P364-V367 HydrophobicContact CB-CG2 4.18Å; P364-V367 HydrophobicContact CG-CG2 4.34Å; P364-V367 WeakPolarHBondContact O-CG2 3.12Å; P364-V367 PolarHBondContact O-N 3.38Å; P364-V367 VanDerWaalsContact O-N 3.17Å; P364-L368 PolarHBondContact O-N 3.2Å
365S93.6Very high95.4Very high54 Ų5445.9 Ų45.938%0.37827%0.269SS..THydrogen-bonded Turntrans-63.7-25-175.6-64.90000113Y298 E303 V367Y298-S365 VanDerWaalsContact OH-CA 3.26Å; Y298-S365 WeakPolarHBondContact OH-CA 3.1Å; Y298-S365 PolarHBondContact OH-N 3.23Å; Y298-S365 VanDerWaalsContact OH-N 3.17Å; Y298-S365 PolarHBondContact OH-OG 2.7Å; E303-S365 PolarHBondContact OE1-N 2.83Å; S365-V367 VanDerWaalsContact C-N 3.35Å; S365-V367 PolarHBondContact O-N 3.45Å
366A93.7Very high95.3Very high89 Ų8945.5 Ų45.574%0.73627%0.267SS*.THydrogen-bonded Turntrans-66.5-31.4178.100000113.9P364P364-A366 PolarHBondContact O-N 2.96Å; P364-A366 VanDerWaalsContact O-N 3.15Å
367V93.3Very high95.2Very high40 Ų4040.2 Ų40.224%0.24224%0.239CC..THydrogen-bonded Turntrans-107.40.8-176.3-59.10000113P364 S365 Q369 E370 L371P364-V367 HydrophobicContact CB-CG2 4.18Å; P364-V367 HydrophobicContact CG-CG2 4.34Å; P364-V367 WeakPolarHBondContact O-CG2 3.12Å; P364-V367 PolarHBondContact O-N 3.38Å; P364-V367 VanDerWaalsContact O-N 3.17Å; S365-V367 VanDerWaalsContact C-N 3.35Å; S365-V367 PolarHBondContact O-N 3.45Å; V367-Q369 PolarHBondContact O-N 3.02Å; V367-Q369 VanDerWaalsContact O-N 3.14Å; V367-E370 WeakPolarHBondContact O-CB 3.34Å; V367-E370 PolarHBondContact O-N 3.45Å; V367-L371 HydrophobicContact CG2-CD1 4.11Å; V367-L371 WeakPolarHBondContact O-CG 3.47Å
368L93.3Very high94.9Very high8 Ų838.1 Ų38.14%0.04223%0.229CC..G310 helixtrans-56.9-33.9-176.6-179.165.4000112.6Y298 V363 P364 E370 L371 W406 L410Y298-L368 HydrophobicContact CD1-CD2 3.55Å; Y298-L368 HydrophobicContact CD2-CD1 4.11Å; Y298-L368 HydrophobicContact CD2-CD2 4.08Å; Y298-L368 HydrophobicContact CE1-CD2 3.63Å; Y298-L368 HydrophobicContact CE2-CD1 4.15Å; Y298-L368 HydrophobicContact CE2-CD2 4.16Å; Y298-L368 HydrophobicContact CG-CD2 3.79Å; V363-L368 HydrophobicContact CG1-CB 4.21Å; V363-L368 HydrophobicContact CG1-CD1 3.63Å; P364-L368 PolarHBondContact O-N 3.2Å; L368-E370 VanDerWaalsContact C-N 3.26Å; L368-E370 PolarHBondContact O-N 2.81Å; L368-L371 PolarHBondContact O-N 2.96Å; L368-W406 HydrophobicContact CD1-CH2 3.85Å; L368-W406 HydrophobicContact CD1-CZ2 3.61Å; L368-W406 HydrophobicContact CG-CZ2 4.04Å; L368-W406 WeakPolarHBondContact O-CZ2 3.18Å; L368-L410 HydrophobicContact CD2-CD2 3.53Å; L368-L410 HydrophobicContact CG-CD2 4.3Å
369Q90.9Very high94.6Very high111 Ų11136.1 Ų36.152%0.51921%0.209SC..G310 helixtrans-82.23.5177.9-61.2-70.327.600114.3V367 P396V367-Q369 PolarHBondContact O-N 3.02Å; V367-Q369 VanDerWaalsContact O-N 3.14Å; Q369-P396 WeakPolarHBondContact O-CG 3.46Å
370E91.6Very high94.2Very high98 Ų9836.8 Ų36.846%0.45822%0.217SC..G310 helixtrans-108.15.5174.2-55.8171.9-175.900111.2Q334 V367 L368Q334-E370 PolarHBondContact NE2-OE2 3.2Å; Q334-E370 VanDerWaalsContact NE2-OE2 3.13Å; V367-E370 WeakPolarHBondContact O-CB 3.34Å; V367-E370 PolarHBondContact O-N 3.45Å; L368-E370 VanDerWaalsContact C-N 3.26Å; L368-E370 PolarHBondContact O-N 2.81Å
371L94.1Very high93.6Very high3 Ų335 Ų352%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-118.8136.9-169.9-66.4174.9000112.5L332 L333 Q334 I339 V363 V367 L368 P396L332-L371 HydrophobicContact CD1-CB 4.23Å; L332-L371 HydrophobicContact CD1-CD1 4.43Å; L332-L371 HydrophobicContact CD2-CD1 4.42Å; L332-L371 HydrophobicContact CG-CD2 4.49Å; L333-L371 VanDerWaalsContact O-CA 3.32Å; L333-L371 WeakPolarHBondContact O-CA 3.49Å; L333-L371 WeakPolarHBondContact O-CD2 3.29Å; Q334-L371 HydrophobicContact CB-CD2 3.6Å; Q334-L371 HydrophobicContact CG-CD2 3.91Å; I339-L371 HydrophobicContact CD1-CD2 3.62Å; V363-L371 HydrophobicContact CB-CD1 4.34Å; V363-L371 HydrophobicContact CG1-CD1 3.42Å; V363-L371 VanDerWaalsContact CG1-CD1 3.42Å; V363-L371 HydrophobicContact CG2-CD1 4.08Å; V367-L371 HydrophobicContact CG2-CD1 4.11Å; V367-L371 WeakPolarHBondContact O-CG 3.47Å; L368-L371 PolarHBondContact O-N 2.96Å; L371-P396 WeakPolarHBondContact O-CD 3.41Å
372S93.1Very high92.7Very high8 Ų843.5 Ų43.56%0.05626%0.256CS..EExtended strand (participates in β ladder)trans-124.3144176.1-70.80000110.6L333L333-S372 WeakPolarHBondContact CA-O 3.33Å; L333-S372 WeakPolarHBondContact CB-O 3.44Å; L333-S372 PolarHBondContact N-O 3.41Å; L333-S372 PolarHBondContact O-N 3.37Å
373L96.5Very high91.7Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-93.5133.1170.8-66.1170.2000109.4L296 L305 V307 V330 Y331 L332 F361 I393 I394 W406L296-L373 HydrophobicContact CD2-CD1 3.72Å; L305-L373 HydrophobicContact CD2-CD1 4.38Å; L305-L373 HydrophobicContact CD2-CD2 4.19Å; L305-L373 HydrophobicContact CD2-CG 4.48Å; V307-L373 HydrophobicContact CG2-CD1 3.58Å; V307-L373 HydrophobicContact CG2-CD2 4.07Å; V330-L373 HydrophobicContact CG1-CD2 4.34Å; Y331-L373 WeakPolarHBondContact O-CA 3.43Å; L332-L373 HydrophobicContact CD1-CD2 3.77Å; F361-L373 HydrophobicContact CE2-CD2 4.48Å; L373-I393 CarbonylContact O-C 3.56Å; L373-I393 WeakPolarHBondContact O-CA 3.47Å; L373-I394 HydrophobicContact CB-CB 4.36Å; L373-I394 PolarHBondContact N-O 3.09Å; L373-I394 PolarHBondContact O-N 2.95Å; L373-W406 HydrophobicContact CD1-CZ3 3.95Å; L373-W406 HydrophobicContact CG-CZ3 4.18Å
374R93.6Very high90.5Very high66 Ų6646.5 Ų46.525%0.24928%0.28CS..EExtended strand (participates in β ladder)trans-109.1116.2161174.4170.4178.9145.83.9108.7Y331 L333 T376 H391 V392 I393Y331-R374 HydrophobicContact CD2-CB 4.39Å; Y331-R374 HydrophobicContact CD2-CG 4.26Å; Y331-R374 WeakPolarHBondContact CD2-O 3.38Å; Y331-R374 PolarHBondContact N-O 2.87Å; Y331-R374 PolarHBondContact O-N 2.78Å; L333-R374 HydrophobicContact CD1-CB 3.9Å; L333-R374 HydrophobicContact CG-CB 4.36Å; R374-T376 PolarHBondContact NE-OG1 2.99Å; R374-H391 PolarHBondContact NE-CD2 3.38Å; R374-H391 PolarHBondContact NH2-CD2 2.99Å; R374-H391 PolarHBondContact NH2-NE2 2.94Å; R374-V392 WeakPolarHBondContact CA-O 3.04Å; R374-I393 HydrophobicContact CB-CD1 3.57Å; R374-I393 HydrophobicContact CG-CD1 3.64Å
375V96.6Very high89.4Confident0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-103.4128.9174.3-1750000107.9I292 L294 V328 V330 H391 V392I292-V375 HydrophobicContact CD1-CG1 3.81Å; L294-V375 HydrophobicContact CD1-CB 4.22Å; L294-V375 HydrophobicContact CD1-CG1 4.27Å; L294-V375 HydrophobicContact CD1-CG2 3.88Å; L294-V375 HydrophobicContact CD2-CG1 4.2Å; V328-V375 HydrophobicContact CG1-CG1 3.39Å; V330-V375 HydrophobicContact CG1-CG2 4.35Å; V330-V375 HydrophobicContact CG2-CG1 4.36Å; V330-V375 HydrophobicContact CG2-CG2 4.46Å; V375-H391 CarbonylContact O-C 3.59Å; V375-H391 WeakPolarHBondContact O-CA 3.49Å; V375-H391 VanDerWaalsContact O-CB 3.24Å; V375-H391 WeakPolarHBondContact O-CB 3.29Å; V375-V392 HydrophobicContact CB-CG1 3.91Å; V375-V392 PolarHBondContact N-O 2.79Å; V375-V392 PolarHBondContact O-N 2.85Å
376T94.8Very high88.8Confident2 Ų251.5 Ų51.51%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-133.9121.3-173.9-62.60000110.1V328 K329 R374 N388 G390 H391 I426V328-T376 CarbonylContact C-O 3.57Å; V328-T376 WeakPolarHBondContact CA-O 3.41Å; K329-T376 PolarHBondContact N-O 2.88Å; K329-T376 PolarHBondContact O-N 3.35Å; R374-T376 PolarHBondContact NE-OG1 2.99Å; T376-N388 HydrophobicContact CG2-CB 3.83Å; T376-G390 CarbonylContact C-O 3.46Å; T376-G390 WeakPolarHBondContact CA-O 3.47Å; T376-H391 HydrophobicContact CG2-CB 4.44Å; T376-H391 WeakPolarHBondContact OG1-CB 3.19Å; T376-I426 HydrophobicContact CG2-CD1 3.74Å
377V95.1Very high88.5Confident0 Ų051.2 Ų51.20%027%0.269CS..EExtended strand (participates in β ladder)trans-83.7142.2172-179.40000108.8I292 L315 V328 L389 G390 L423I292-V377 HydrophobicContact CD1-CG2 3.98Å; L315-V377 HydrophobicContact CD1-CG1 4.26Å; V328-V377 HydrophobicContact CG2-CG2 4.16Å; V377-L389 HydrophobicContact CB-CB 4.49Å; V377-L389 HydrophobicContact CG1-CB 4.39Å; V377-L389 HydrophobicContact CG1-CD2 4.1Å; V377-L389 PolarHBondContact O-N 2.87Å; V377-G390 PolarHBondContact N-O 2.89Å; V377-L423 HydrophobicContact CB-CD1 4.07Å; V377-L423 HydrophobicContact CG2-CD1 3.55Å; V377-L423 HydrophobicContact CG2-CD2 3.75Å; V377-L423 HydrophobicContact CG2-CG 4.32Å
378A92.8Very high88.4Confident0 Ų052.4 Ų52.40%028%0.275CS..EExtended strand (participates in β ladder)trans-146.4147.1-177.900000111.9P326 F327 K329 E387P326-A378 CarbonylContact C-O 3.57Å; P326-A378 WeakPolarHBondContact CA-O 3.35Å; F327-A378 HydrophobicContact CD1-CB 4.11Å; F327-A378 VanDerWaalsContact CD1-O 3.27Å; F327-A378 WeakPolarHBondContact CD1-O 3.32Å; F327-A378 HydrophobicContact CE1-CB 3.67Å; F327-A378 HydrophobicContact CZ-CB 3.92Å; F327-A378 PolarHBondContact N-O 3.27Å; F327-A378 PolarHBondContact O-N 2.96Å; K329-A378 HydrophobicContact CD-CB 4.35Å; A378-E387 CarbonylContact C-O 3.39Å; A378-E387 WeakPolarHBondContact CA-O 3.27Å; A378-E387 WeakPolarHBondContact CB-O 3.46Å
379E91Very high88.2Confident20 Ų2052.6 Ų52.69%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-79136.8166.1-163.6-178162.600108.7W317 K321 G386 E387W317-E379 HydrophobicContact CE3-CB 4.31Å; W317-E379 HydrophobicContact CZ3-CB 3.78Å; W317-E379 HydrophobicContact CZ3-CG 4.32Å; K321-E379 IonicContact NZ-OE1 3.85Å; K321-E379 PolarHBondContact NZ-OE1 3.03Å; K321-E379 IonicContact NZ-OE2 2.76Å; K321-E379 PolarHBondContact NZ-OE2 3.4Å; E379-G386 CarbonylContact O-C 3.37Å; E379-G386 WeakPolarHBondContact O-CA 3.37Å; E379-E387 PolarHBondContact N-O 2.91Å; E379-E387 PolarHBondContact O-N 3.47Å; E379-E387 VanDerWaalsContact O-N 3.15Å
380A89.6Confident88.1Confident31 Ų3147.3 Ų47.326%0.25625%0.251SS..  trans-76.2122.7169.700000110D325 F327 T346D325-A380 HydrophobicContact CB-CB 3.93Å; D325-A380 WeakPolarHBondContact O-CB 3.4Å; D325-A380 PolarHBondContact O-N 3.44Å; F327-A380 HydrophobicContact CD1-CB 4.15Å; F327-A380 HydrophobicContact CE1-CB 4.19Å; T346-A380 HydrophobicContact CG2-CB 3.75Å
381T84Confident88.1Confident40 Ų4044.2 Ų44.225%0.24524%0.236CC..  trans-106153-178.550.30000111.1D383 G384 G386 E387T381-D383 VanDerWaalsContact CB-OD1 3.31Å; T381-D383 WeakPolarHBondContact CB-OD1 3.45Å; T381-D383 PolarHBondContact O-N 3.04Å; T381-D383 VanDerWaalsContact O-N 3.1Å; T381-D383 PolarHBondContact OG1-OD1 3.32Å; T381-G384 PolarHBondContact O-N 3.29Å; T381-G386 VanDerWaalsContact OG1-CA 3.28Å; T381-G386 WeakPolarHBondContact OG1-CA 3.41Å; T381-G386 PolarHBondContact OG1-N 2.83Å; T381-E387 HydrophobicContact CG2-CB 4.08Å
382N79Confident87.9Confident184 Ų18444.7 Ų44.798%0.98424%0.239SC*.THydrogen-bonded Turntrans-60.5-20.7-179.5-68.6-28.1000114G384N382-G384 VanDerWaalsContact C-N 3.29Å
383D76.6Confident87.8Confident99 Ų9947.2 Ų47.253%0.52925%0.251SS..THydrogen-bonded Turntrans-83.3-1.4174.579.1-21000113.8T381 R385T381-D383 VanDerWaalsContact CB-OD1 3.31Å; T381-D383 WeakPolarHBondContact CB-OD1 3.45Å; T381-D383 PolarHBondContact O-N 3.04Å; T381-D383 VanDerWaalsContact O-N 3.1Å; T381-D383 PolarHBondContact OG1-OD1 3.32Å; D383-R385 PolarHBondContact O-N 3.48Å; D383-R385 PolarHBondContact OD1-N 3.02Å; D383-R385 WeakPolarHBondContact OD2-CD 3.33Å; D383-R385 WeakPolarHBondContact OD2-CG 3.34Å; D383-R385 IonicContact OD2-NE 2.77Å
384G71.4Confident87.5Confident70 Ų7047.2 Ų47.272%0.72225%0.251SS*.SBendtrans73.81.517800000115.8T381 N382T381-G384 PolarHBondContact O-N 3.29Å; N382-G384 VanDerWaalsContact C-N 3.29Å
385R72.1Confident87.3Confident206 Ų20644 Ų4478%0.77724%0.24SC*.SBendtrans-81.9-39-178.3-62.9-174.4178.4171.4-3.7112.3K329 D383K329-R385 PolarHBondContact NZ-O 3.01Å; D383-R385 PolarHBondContact O-N 3.48Å; D383-R385 PolarHBondContact OD1-N 3.02Å; D383-R385 WeakPolarHBondContact OD2-CD 3.33Å; D383-R385 WeakPolarHBondContact OD2-CG 3.34Å; D383-R385 IonicContact OD2-NE 2.77Å
386G81.4Confident86.6Confident7 Ų745.8 Ų45.87%0.07225%0.251CS..  trans72.1112.9-178.900000113.4K329 E379 T381K329-G386 PolarHBondContact NZ-O 2.96Å; E379-G386 CarbonylContact O-C 3.37Å; E379-G386 WeakPolarHBondContact O-CA 3.37Å; T381-G386 VanDerWaalsContact OG1-CA 3.28Å; T381-G386 WeakPolarHBondContact OG1-CA 3.41Å; T381-G386 PolarHBondContact OG1-N 2.83Å
387E87.8Confident85.8Confident82 Ų8252.1 Ų52.138%0.38328%0.28SS..  trans-63.1128.2175.8-172.2175.115200109.7T318 A378 E379 T381T318-E387 PolarHBondContact OG1-OE1 3.47Å; A378-E387 CarbonylContact C-O 3.39Å; A378-E387 WeakPolarHBondContact CA-O 3.27Å; A378-E387 WeakPolarHBondContact CB-O 3.46Å; E379-E387 PolarHBondContact N-O 2.91Å; E379-E387 PolarHBondContact O-N 3.47Å; E379-E387 VanDerWaalsContact O-N 3.15Å; T381-E387 HydrophobicContact CG2-CB 4.08Å
388N90.2Very high84.8Confident66 Ų6652.9 Ų52.935%0.35329%0.286SS..EExtended strand (participates in β ladder)trans-85.6127-179.6-46.6-71.2000109.2K329 T376 I426K329-N388 PolarHBondContact NZ-OD1 2.71Å; T376-N388 HydrophobicContact CG2-CB 3.83Å; N388-I426 HydrophobicContact CB-CD1 3.34Å
389L89.6Confident83.6Confident12 Ų1255.1 Ų55.16%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-79.2-55.6179.2-176.168.4000110.7V289 L315 I316 W317 V377V289-L389 HydrophobicContact CB-CG 4.32Å; V289-L389 HydrophobicContact CG2-CG 4.06Å; L315-L389 HydrophobicContact CB-CD2 4.03Å; L315-L389 HydrophobicContact CD1-CD2 4.39Å; L315-L389 HydrophobicContact CD2-CD2 3.95Å; L315-L389 HydrophobicContact CG-CD2 4.35Å; I316-L389 VanDerWaalsContact O-CD1 3.31Å; I316-L389 WeakPolarHBondContact O-CD1 3.28Å; W317-L389 HydrophobicContact CD2-CD1 4.33Å; W317-L389 HydrophobicContact CD2-CD2 4.39Å; W317-L389 HydrophobicContact CE3-CD1 3.75Å; W317-L389 HydrophobicContact CE3-CD2 4.07Å; W317-L389 HydrophobicContact CE3-CG 4.39Å; W317-L389 HydrophobicContact CH2-CD2 3.96Å; W317-L389 HydrophobicContact CZ2-CD2 4.31Å; W317-L389 HydrophobicContact CZ3-CB 4.21Å; W317-L389 HydrophobicContact CZ3-CD1 4.1Å; W317-L389 HydrophobicContact CZ3-CD2 3.83Å; W317-L389 HydrophobicContact CZ3-CG 4.28Å; V377-L389 HydrophobicContact CB-CB 4.49Å; V377-L389 HydrophobicContact CG1-CB 4.39Å; V377-L389 HydrophobicContact CG1-CD2 4.1Å; V377-L389 PolarHBondContact O-N 2.87Å
390G90Very high82.7Confident0 Ų054.7 Ų54.70%030%0.304CS..EExtended strand (participates in β ladder)trans-170.3172.4-174.200000112.2T376 V377 R424T376-G390 CarbonylContact C-O 3.46Å; T376-G390 WeakPolarHBondContact CA-O 3.47Å; V377-G390 PolarHBondContact N-O 2.89Å; G390-R424 CarbonylContact C-O 3.57Å; G390-R424 WeakPolarHBondContact CA-O 3.42Å
391H90.4Very high81.9Confident33 Ų3354.6 Ų54.615%0.15330%0.298CS..EExtended strand (participates in β ladder)trans-149.4162.4-173.872.9-57.9000114.2R374 V375 T376 R424 I426R374-H391 PolarHBondContact NE-CD2 3.38Å; R374-H391 PolarHBondContact NH2-CD2 2.99Å; R374-H391 PolarHBondContact NH2-NE2 2.94Å; V375-H391 CarbonylContact O-C 3.59Å; V375-H391 WeakPolarHBondContact O-CA 3.49Å; V375-H391 VanDerWaalsContact O-CB 3.24Å; V375-H391 WeakPolarHBondContact O-CB 3.29Å; T376-H391 HydrophobicContact CG2-CB 4.44Å; T376-H391 WeakPolarHBondContact OG1-CB 3.19Å; H391-R424 PolarHBondContact N-O 3.42Å; H391-R424 PolarHBondContact ND1-O 3.41Å; H391-R424 VanDerWaalsContact ND1-O 3.14Å; H391-R424 PolarHBondContact O-N 2.89Å; H391-I426 HydrophobicContact CB-CD1 4.18Å; H391-I426 HydrophobicContact CB-CG1 4.31Å; H391-I426 VanDerWaalsContact ND1-CG1 3.33Å; H391-I426 WeakPolarHBondContact ND1-CG1 3.43Å
392V90.7Very high81.7Confident13 Ų1353 Ų538%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-130.9148.4166.862.80000110.2I292 L294 R374 V375 I394 H421I292-V392 HydrophobicContact CG2-CG1 4.3Å; L294-V392 HydrophobicContact CD1-CG1 4.12Å; R374-V392 WeakPolarHBondContact CA-O 3.04Å; V375-V392 HydrophobicContact CB-CG1 3.91Å; V375-V392 PolarHBondContact N-O 2.79Å; V375-V392 PolarHBondContact O-N 2.85Å; V392-I394 HydrophobicContact CG1-CD1 4.42Å; V392-I394 HydrophobicContact CG1-CG1 4.42Å; V392-I394 HydrophobicContact CG2-CG1 4.16Å; V392-H421 HydrophobicContact CB-CB 4.3Å; V392-H421 HydrophobicContact CG1-CB 4.04Å; V392-H421 HydrophobicContact CG2-CB 4.04Å
393I90Very high81.8Confident60 Ų6046.6 Ų46.631%0.30825%0.254SS..EExtended strand (participates in β ladder)trans-108.4133.3170.7-52.5-60.2000108.5L373 R374 A398L373-I393 CarbonylContact O-C 3.56Å; L373-I393 WeakPolarHBondContact O-CA 3.47Å; R374-I393 HydrophobicContact CB-CD1 3.57Å; R374-I393 HydrophobicContact CG-CD1 3.64Å; I393-A398 HydrophobicContact CG2-CB 4.39Å
394I91.7Very high82Confident0 Ų044.8 Ų44.80%025%0.247CC..EExtended strand (participates in β ladder)trans-134.2118.4179.7-54.2-179.5000107.8L294 L296 L373 V392 G402 H405 W406L294-I394 HydrophobicContact CD1-CD1 3.59Å; L296-I394 HydrophobicContact CD1-CD1 4.46Å; L296-I394 HydrophobicContact CD1-CG2 3.77Å; L373-I394 HydrophobicContact CB-CB 4.36Å; L373-I394 PolarHBondContact N-O 3.09Å; L373-I394 PolarHBondContact O-N 2.95Å; V392-I394 HydrophobicContact CG1-CD1 4.42Å; V392-I394 HydrophobicContact CG1-CG1 4.42Å; V392-I394 HydrophobicContact CG2-CG1 4.16Å; I394-G402 WeakPolarHBondContact CG2-O 3.45Å; I394-H405 HydrophobicContact CG2-CB 4.38Å; I394-W406 HydrophobicContact CG2-CB 4.32Å; I394-W406 HydrophobicContact CG2-CE3 4.09Å
395G89.4Confident83Confident0 Ų041.5 Ų41.50%021%0.213CC..SBendtrans172.4-175.8-178.600000112.4E397 A398G395-E397 PolarHBondContact O-N 3.3Å; G395-A398 WeakPolarHBondContact O-CB 3.5Å; G395-A398 PolarHBondContact O-N 3.3Å
396P81.1Confident83.9Confident37 Ų3731.7 Ų31.724%0.2418%0.176CC..THydrogen-bonded Turntrans-61.8-29.5178.2-22.534.3000114Q369 L371 I403Q369-P396 WeakPolarHBondContact O-CG 3.46Å; L371-P396 WeakPolarHBondContact O-CD 3.41Å; P396-I403 WeakPolarHBondContact O-CD1 3.44Å
397E77.2Confident84.3Confident134 Ų13435.2 Ų35.263%0.62619%0.193SC*.THydrogen-bonded Turntrans-95.43.5-179.4-59.2176.4142.800112.9G395G395-E397 PolarHBondContact O-N 3.3Å
398A74.8Confident84.1Confident16 Ų1635.1 Ų35.113%0.13219%0.193CC..  trans-80.3159.817800000111.9I393 G395 I403I393-A398 HydrophobicContact CG2-CB 4.39Å; G395-A398 WeakPolarHBondContact O-CB 3.5Å; G395-A398 PolarHBondContact O-N 3.3Å; A398-I403 HydrophobicContact CB-CB 4.42Å; A398-I403 VanDerWaalsContact O-CB 3.23Å; A398-I403 WeakPolarHBondContact O-CB 3.49Å; A398-I403 VanDerWaalsContact O-CG2 3.28Å; A398-I403 WeakPolarHBondContact O-CG2 3.27Å
399S66.8Low84.3Confident47 Ų4732 Ų3233%0.32918%0.176SC..  trans-101.9164.4168.463.30000112.4E186 M401 G402E186-S399 WeakPolarHBondContact OE1-CB 3.37Å; E186-S399 PolarHBondContact OE1-OG 3.02Å; S399-M401 PolarHBondContact O-N 3.42Å; S399-G402 PolarHBondContact O-N 2.88Å
400G72.4Confident84.4Confident12 Ų1233.2 Ų33.212%0.12418%0.182CC..THydrogen-bonded Turntrans57.1-129.5173.800000115.9G402 I403 T404G400-G402 VanDerWaalsContact C-N 3.25Å; G400-G402 PolarHBondContact O-N 2.99Å; G400-I403 WeakPolarHBondContact O-CG2 3.34Å; G400-T404 WeakPolarHBondContact O-CB 3.46Å; G400-T404 PolarHBondContact O-N 2.87Å; G400-T404 PolarHBondContact O-OG1 2.85Å
401M72.7Confident84.3Confident29 Ų2937.2 Ų37.214%0.14322%0.216CC..Hα-helixtrans-64.5-26.1-179-71.9-128-8000113.4D155 S399 T404 H405 M419 W420 H421D155-M401 WeakPolarHBondContact OD1-CE 3.05Å; D155-M401 VanDerWaalsContact OD1-CG 3.29Å; D155-M401 WeakPolarHBondContact OD1-CG 3.14Å; S399-M401 PolarHBondContact O-N 3.42Å; M401-T404 PolarHBondContact O-N 2.89Å; M401-H405 WeakPolarHBondContact O-CB 3.3Å; M401-H405 PolarHBondContact O-N 2.9Å; M401-M419 HydrophobicContact CB-SD 4.2Å; M401-M419 HydrophobicContact CG-SD 4.49Å; M401-M419 HydrophobicContact SD-CG 4.06Å; M401-M419 HydrophobicContact SD-SD 3.81Å; M401-W420 WeakPolarHBondContact CE-O 3.31Å; M401-H421 PolarHBondContact O-CE1 3.06Å
402G80.1Confident84.2Confident5 Ų538.3 Ų38.35%0.05223%0.225CC..Hα-helixtrans-60.6-51.8178.900000112.9I394 S399 G400 W406I394-G402 WeakPolarHBondContact CG2-O 3.45Å; S399-G402 PolarHBondContact O-N 2.88Å; G400-G402 VanDerWaalsContact C-N 3.25Å; G400-G402 PolarHBondContact O-N 2.99Å; G402-W406 PolarHBondContact O-N 3.01Å
403I81.3Confident84.1Confident50 Ų5040.9 Ų40.926%0.25624%0.238SC..Hα-helixtrans-74.2-32.4176.2-172.4170.5000112.2P396 A398 G400 W406 N407P396-I403 WeakPolarHBondContact O-CD1 3.44Å; A398-I403 HydrophobicContact CB-CB 4.42Å; A398-I403 VanDerWaalsContact O-CB 3.23Å; A398-I403 WeakPolarHBondContact O-CB 3.49Å; A398-I403 VanDerWaalsContact O-CG2 3.28Å; A398-I403 WeakPolarHBondContact O-CG2 3.27Å; G400-I403 WeakPolarHBondContact O-CG2 3.34Å; I403-W406 PolarHBondContact O-N 2.9Å; I403-N407 WeakPolarHBondContact O-CB 3.44Å; I403-N407 PolarHBondContact O-N 3.08Å; I403-N407 PolarHBondContact O-ND2 3.34Å
404T81.4Confident84.1Confident62 Ų6246.9 Ų46.938%0.3826%0.256SS..Hα-helixtrans-61.7-46.3176.3-56.80000111.4G400 M401 W406 N407 Q408 M419G400-T404 WeakPolarHBondContact O-CB 3.46Å; G400-T404 PolarHBondContact O-N 2.87Å; G400-T404 PolarHBondContact O-OG1 2.85Å; M401-T404 PolarHBondContact O-N 2.89Å; T404-W406 VanDerWaalsContact C-N 3.34Å; T404-W406 PolarHBondContact O-N 2.85Å; T404-N407 PolarHBondContact O-N 2.96Å; T404-Q408 WeakPolarHBondContact O-CG 3.44Å; T404-Q408 PolarHBondContact O-N 3.43Å; T404-M419 HydrophobicContact CG2-CE 4.21Å
405H91.1Very high84Confident0 Ų053.7 Ų53.70%029%0.286CS..Hα-helixtrans-63.4-41176.9-164.7-173.6000111.9L294 S295 L296 I394 M401 Q408 M409 V417 S418 M419 H421L294-H405 WeakPolarHBondContact CB-CE1 3.05Å; L294-H405 PolarHBondContact O-CE1 2.93Å; S295-H405 PolarHBondContact N-CE1 2.96Å; L296-H405 HydrophobicContact CD1-CB 4.4Å; L296-H405 WeakPolarHBondContact CD1-ND1 3.32Å; L296-H405 PolarHBondContact N-NE2 2.81Å; I394-H405 HydrophobicContact CG2-CB 4.38Å; M401-H405 WeakPolarHBondContact O-CB 3.3Å; M401-H405 PolarHBondContact O-N 2.9Å; H405-Q408 PolarHBondContact O-N 2.9Å; H405-M409 PolarHBondContact O-N 3.42Å; H405-V417 WeakPolarHBondContact NE2-CB 3.38Å; H405-V417 WeakPolarHBondContact NE2-CG1 3.34Å; H405-V417 PolarHBondContact NE2-O 3.06Å; H405-S418 WeakPolarHBondContact NE2-CA 3.28Å; H405-S418 PolarHBondContact NE2-N 3.32Å; H405-M419 HydrophobicContact CB-CB 4.39Å; H405-M419 HydrophobicContact CB-CE 4.09Å; H405-M419 HydrophobicContact CB-SD 3.66Å; H405-H421 AromaticContact CG-NE2 3.6Å; H405-H421 AromaticContact ND1-CD2 3.8Å; H405-H421 AromaticContact ND1-CE1 3.76Å; H405-H421 AromaticContact ND1-NE2 2.87Å; H405-H421 PolarHBondContact ND1-NE2 3.26Å
406W91.8Very high84.3Confident0 Ų058.2 Ų58.20%032%0.315CS..Hα-helixtrans-61.6-49.3176.6-165.9-104000112L305 L368 L373 I394 G402 I403 T404 Q408 M409 L410L305-W406 HydrophobicContact CD2-CH2 4.01Å; L305-W406 HydrophobicContact CD2-CZ3 4.25Å; L368-W406 HydrophobicContact CD1-CH2 3.85Å; L368-W406 HydrophobicContact CD1-CZ2 3.61Å; L368-W406 HydrophobicContact CG-CZ2 4.04Å; L368-W406 WeakPolarHBondContact O-CZ2 3.18Å; L373-W406 HydrophobicContact CD1-CZ3 3.95Å; L373-W406 HydrophobicContact CG-CZ3 4.18Å; I394-W406 HydrophobicContact CG2-CB 4.32Å; I394-W406 HydrophobicContact CG2-CE3 4.09Å; G402-W406 PolarHBondContact O-N 3.01Å; I403-W406 PolarHBondContact O-N 2.9Å; T404-W406 VanDerWaalsContact C-N 3.34Å; T404-W406 PolarHBondContact O-N 2.85Å; W406-Q408 PolarHBondContact O-N 3.32Å; W406-M409 HydrophobicContact CD2-CE 3.85Å; W406-M409 HydrophobicContact CE3-CE 3.77Å; W406-M409 HydrophobicContact CH2-CE 4.03Å; W406-M409 HydrophobicContact CZ2-CE 4.07Å; W406-M409 HydrophobicContact CZ3-CE 3.87Å; W406-M409 WeakPolarHBondContact O-CB 3.18Å; W406-M409 PolarHBondContact O-N 3.11Å; W406-L410 WeakPolarHBondContact O-CG 3.24Å; W406-L410 PolarHBondContact O-N 2.92Å
407N89.2Confident84.9Confident81 Ų8157.3 Ų57.343%0.43331%0.309SS..Hα-helixtrans-63.9-38.2178.7-74.4-19.4000112.4I403 T404 L410 A411I403-N407 WeakPolarHBondContact O-CB 3.44Å; I403-N407 PolarHBondContact O-N 3.08Å; I403-N407 PolarHBondContact O-ND2 3.34Å; T404-N407 PolarHBondContact O-N 2.96Å; N407-L410 PolarHBondContact O-N 3.1Å; N407-A411 WeakPolarHBondContact O-CB 3.02Å; N407-A411 PolarHBondContact O-N 3.28Å
408Q83.7Confident85.7Confident81 Ų8154.7 Ų54.738%0.37931%0.305SS..Hα-helixtrans-65.6-40174.4-73.1-179.75.900112.5T404 H405 W406 L410 A411 T412 V417T404-Q408 WeakPolarHBondContact O-CG 3.44Å; T404-Q408 PolarHBondContact O-N 3.43Å; H405-Q408 PolarHBondContact O-N 2.9Å; W406-Q408 PolarHBondContact O-N 3.32Å; Q408-L410 VanDerWaalsContact C-N 3.33Å; Q408-L410 PolarHBondContact O-N 3.26Å; Q408-A411 PolarHBondContact O-N 2.93Å; Q408-T412 PolarHBondContact O-N 3.25Å; Q408-T412 PolarHBondContact O-OG1 2.99Å; Q408-V417 HydrophobicContact CB-CG1 3.91Å; Q408-V417 HydrophobicContact CB-CG2 4.3Å
409M95.4Very high86.4Confident0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-59.8-43.9172.8177.6-161.46400111.1L296 L305 H405 W406 T412 L413L296-M409 HydrophobicContact CB-CB 4.17Å; L296-M409 HydrophobicContact CB-CG 4.06Å; L296-M409 HydrophobicContact CB-SD 3.79Å; L305-M409 HydrophobicContact CD1-CE 4.14Å; L305-M409 HydrophobicContact CD1-SD 3.47Å; L305-M409 WeakPolarHBondContact CD1-SD 3.23Å; H405-M409 PolarHBondContact O-N 3.42Å; W406-M409 HydrophobicContact CD2-CE 3.85Å; W406-M409 HydrophobicContact CE3-CE 3.77Å; W406-M409 HydrophobicContact CH2-CE 4.03Å; W406-M409 HydrophobicContact CZ2-CE 4.07Å; W406-M409 HydrophobicContact CZ3-CE 3.87Å; W406-M409 WeakPolarHBondContact O-CB 3.18Å; W406-M409 PolarHBondContact O-N 3.11Å; M409-T412 CarbonylContact O-C 3.54Å; M409-T412 PolarHBondContact O-N 3.4Å; M409-L413 PolarHBondContact O-N 2.97Å
410L91.9Very high87.5Confident38 Ų3856.2 Ų56.220%0.19930%0.302CS..Hα-helixtrans-66.6-37.1177.8-68.7171.2000112.7L368 W406 N407 Q408 T412 L413L368-L410 HydrophobicContact CD2-CD2 3.53Å; L368-L410 HydrophobicContact CG-CD2 4.3Å; W406-L410 WeakPolarHBondContact O-CG 3.24Å; W406-L410 PolarHBondContact O-N 2.92Å; N407-L410 PolarHBondContact O-N 3.1Å; Q408-L410 VanDerWaalsContact C-N 3.33Å; Q408-L410 PolarHBondContact O-N 3.26Å; L410-T412 VanDerWaalsContact C-N 3.29Å; L410-T412 PolarHBondContact O-N 3.32Å; L410-L413 WeakPolarHBondContact O-CD2 3.35Å; L410-L413 VanDerWaalsContact O-CG 3.31Å; L410-L413 WeakPolarHBondContact O-CG 3.3Å
411A86.8Confident88.3Confident84 Ų8455.7 Ų55.769%0.69430%0.296SS*.Hα-helixtrans-69.7-25.8175.700000113N407 Q408N407-A411 WeakPolarHBondContact O-CB 3.02Å; N407-A411 PolarHBondContact O-N 3.28Å; Q408-A411 PolarHBondContact O-N 2.93Å
412T89.1Confident88.9Confident56 Ų5654.7 Ų54.734%0.34429%0.292SS..THydrogen-bonded Turntrans-121.341-173.261.50000113.5Q408 M409 L410 R414 K415 V417Q408-T412 PolarHBondContact O-N 3.25Å; Q408-T412 PolarHBondContact O-OG1 2.99Å; M409-T412 CarbonylContact O-C 3.54Å; M409-T412 PolarHBondContact O-N 3.4Å; L410-T412 VanDerWaalsContact C-N 3.29Å; L410-T412 PolarHBondContact O-N 3.32Å; T412-R414 PolarHBondContact O-N 3.49Å; T412-K415 WeakPolarHBondContact O-CB 3.35Å; T412-K415 PolarHBondContact O-N 2.88Å; T412-V417 WeakPolarHBondContact OG1-CG2 2.97Å
413L88.9Confident89.3Confident67 Ų6754.4 Ų54.435%0.35129%0.289SS..THydrogen-bonded Turntrans-39.8134.2179.2-58.5178.5000113.6Y298 P300 M409 L410 K415Y298-L413 HydrophobicContact CD1-CD2 4.12Å; P300-L413 HydrophobicContact CG-CD1 3.94Å; P300-L413 HydrophobicContact CG-CD2 4.44Å; M409-L413 PolarHBondContact O-N 2.97Å; L410-L413 WeakPolarHBondContact O-CD2 3.35Å; L410-L413 VanDerWaalsContact O-CG 3.31Å; L410-L413 WeakPolarHBondContact O-CG 3.3Å; L413-K415 PolarHBondContact O-N 3.44Å
414R89.8Confident89.4Confident185 Ų18555.2 Ų55.270%0.69829%0.289SS*.THydrogen-bonded Turntrans73.3-6.2-174.7-47.5168.3-76.9-164.6-6.1115.8Y298 L299 T412Y298-R414 PolarHBondContact O-N 3.47Å; L299-R414 HydrophobicContact CD1-CG 3.73Å; T412-R414 PolarHBondContact O-N 3.49Å
415K90.1Very high89.4Confident144 Ų14457.9 Ų57.963%0.62629%0.292SS*.SBendtrans-99.2143.8168.7-62.5-176.7177.2-178.30110.2S297 T412 L413S297-K415 WeakPolarHBondContact CB-O 3.43Å; T412-K415 WeakPolarHBondContact O-CB 3.35Å; T412-K415 PolarHBondContact O-N 2.88Å; L413-K415 PolarHBondContact O-N 3.44Å
416P94.3Very high88.3Confident94 Ų9463.5 Ų63.561%0.6132%0.321SS*.PPolyproline II helixtrans-73.9128.3167.229.7-31.4000110.4S295 L296S295-P416 WeakPolarHBondContact OG-CB 3.23Å; L296-P416 WeakPolarHBondContact O-CA 3.13Å
417V93.5Very high88.2Confident18 Ų1866.7 Ų66.711%0.10934%0.337CS..EExtended strand (participates in β ladder)trans-103.3126.7166.7-179.20000107.6S295 L296 H405 Q408 T412S295-V417 CarbonylContact C-O 3.56Å; S295-V417 VanDerWaalsContact CA-O 3.25Å; S295-V417 WeakPolarHBondContact CA-O 3.44Å; S295-V417 PolarHBondContact OG-O 3.06Å; L296-V417 PolarHBondContact N-O 2.83Å; L296-V417 PolarHBondContact O-N 2.74Å; H405-V417 WeakPolarHBondContact NE2-CB 3.38Å; H405-V417 WeakPolarHBondContact NE2-CG1 3.34Å; H405-V417 PolarHBondContact NE2-O 3.06Å; Q408-V417 HydrophobicContact CB-CG1 3.91Å; Q408-V417 HydrophobicContact CB-CG2 4.3Å; T412-V417 WeakPolarHBondContact OG1-CG2 2.97Å
418S94.9Very high88.1Confident79 Ų7965.9 Ų65.955%0.55233%0.332SS*.EExtended strand (participates in β ladder)trans-111.7131.7179.1-60.60000110.9L294 S295 H405L294-S418 CarbonylContact O-C 3.56Å; L294-S418 VanDerWaalsContact O-CA 3.3Å; L294-S418 WeakPolarHBondContact O-CA 3.47Å; S295-S418 WeakPolarHBondContact CB-OG 3.02Å; S295-S418 PolarHBondContact OG-OG 3.15Å; H405-S418 WeakPolarHBondContact NE2-CA 3.28Å; H405-S418 PolarHBondContact NE2-N 3.32Å
419M90.3Very high88.4Confident26 Ų2665.1 Ų65.113%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-144.7142.9-178.1-162.9174.8-73.400110L293 L294 M401 T404 H405 H421L293-M419 WeakPolarHBondContact CD1-O 3.28Å; L294-M419 PolarHBondContact N-O 3.36Å; L294-M419 PolarHBondContact O-N 2.81Å; M401-M419 HydrophobicContact CB-SD 4.2Å; M401-M419 HydrophobicContact CG-SD 4.49Å; M401-M419 HydrophobicContact SD-CG 4.06Å; M401-M419 HydrophobicContact SD-SD 3.81Å; T404-M419 HydrophobicContact CG2-CE 4.21Å; H405-M419 HydrophobicContact CB-CB 4.39Å; H405-M419 HydrophobicContact CB-CE 4.09Å; H405-M419 HydrophobicContact CB-SD 3.66Å; M419-H421 PolarHBondContact O-CD2 2.88Å
420W89.8Confident88Confident70 Ų7068.9 Ų68.927%0.26535%0.349SS..EExtended strand (participates in β ladder)trans-73.6149.7166.7-77104.1000109.8E291 I292 L293 K311 K313 M401E291-W420 HydrophobicContact CB-CE3 3.9Å; E291-W420 HydrophobicContact CB-CZ3 4.18Å; I292-W420 VanDerWaalsContact C-CE3 3.45Å; I292-W420 CarbonylContact O-C 3.41Å; L293-W420 HydrophobicContact CB-CD2 3.9Å; L293-W420 HydrophobicContact CB-CE3 3.75Å; L293-W420 HydrophobicContact CB-CH2 3.88Å; L293-W420 HydrophobicContact CB-CZ2 4.03Å; L293-W420 HydrophobicContact CB-CZ3 3.73Å; L293-W420 HydrophobicContact CD1-CD2 4.18Å; L293-W420 HydrophobicContact CD1-CG 4.19Å; L293-W420 HydrophobicContact CD2-CZ2 4.22Å; K311-W420 HydrophobicContact CD-CH2 4.3Å; K311-W420 HydrophobicContact CG-CH2 3.96Å; K313-W420 HydrophobicContact CB-CH2 4.21Å; K313-W420 HydrophobicContact CB-CZ3 4.41Å; K313-W420 HydrophobicContact CD-CE3 4.43Å; K313-W420 HydrophobicContact CD-CH2 3.53Å; K313-W420 HydrophobicContact CD-CZ2 3.84Å; K313-W420 HydrophobicContact CD-CZ3 3.86Å; K313-W420 HydrophobicContact CG-CE3 4.4Å; K313-W420 HydrophobicContact CG-CH2 3.69Å; K313-W420 HydrophobicContact CG-CZ2 4.49Å; K313-W420 HydrophobicContact CG-CZ3 3.64Å; M401-W420 WeakPolarHBondContact CE-O 3.31Å
421H87.8Confident87.7Confident0 Ų070.8 Ų70.80%036%0.358CS..EExtended strand (participates in β ladder)trans-137.7142.6176.6-76.7-91.5000109.8E291 I292 V392 M401 H405 M419E291-H421 CarbonylContact C-O 3.49Å; E291-H421 VanDerWaalsContact CA-O 3.25Å; E291-H421 WeakPolarHBondContact CA-O 3.44Å; I292-H421 HydrophobicContact CG2-CB 3.9Å; I292-H421 PolarHBondContact N-O 2.76Å; I292-H421 PolarHBondContact O-N 2.97Å; V392-H421 HydrophobicContact CB-CB 4.3Å; V392-H421 HydrophobicContact CG1-CB 4.04Å; V392-H421 HydrophobicContact CG2-CB 4.04Å; M401-H421 PolarHBondContact O-CE1 3.06Å; H405-H421 AromaticContact CG-NE2 3.6Å; H405-H421 AromaticContact ND1-CD2 3.8Å; H405-H421 AromaticContact ND1-CE1 3.76Å; H405-H421 AromaticContact ND1-NE2 2.87Å; H405-H421 PolarHBondContact ND1-NE2 3.26Å; M419-H421 PolarHBondContact O-CD2 2.88Å
422P86.4Confident87.8Confident8 Ų869.9 Ų69.95%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-76.9148.5175.337.8-36.4000107.8D155 F156D155-P422 HydrophobicContact CB-CB 3.99Å; D155-P422 HydrophobicContact CB-CG 3.65Å; D155-P422 WeakPolarHBondContact OD1-CD 3.3Å; D155-P422 WeakPolarHBondContact OD2-CD 3.28Å; F156-P422 HydrophobicContact CZ-CB 4.2Å
423L88.3Confident87.7Confident0 Ų070.9 Ų70.90%034%0.335CS..EExtended strand (participates in β ladder)trans-99111.7170-63.8168.7000107.3A288 V289 G290 I292 L315 V377A288-L423 CarbonylContact C-O 3.57Å; A288-L423 WeakPolarHBondContact CA-O 3.43Å; V289-L423 HydrophobicContact CG2-CB 3.8Å; V289-L423 WeakPolarHBondContact CG2-O 3.31Å; V289-L423 PolarHBondContact N-O 2.53Å; G290-L423 WeakPolarHBondContact O-CB 3.35Å; G290-L423 PolarHBondContact O-N 2.9Å; I292-L423 HydrophobicContact CB-CD2 4.19Å; I292-L423 HydrophobicContact CB-CG 4.43Å; I292-L423 HydrophobicContact CG2-CD2 3.7Å; I292-L423 HydrophobicContact CG2-CG 4.21Å; L315-L423 HydrophobicContact CD2-CD1 3.45Å; L315-L423 VanDerWaalsContact CD2-CD1 3.45Å; V377-L423 HydrophobicContact CB-CD1 4.07Å; V377-L423 HydrophobicContact CG2-CD1 3.55Å; V377-L423 HydrophobicContact CG2-CD2 3.75Å; V377-L423 HydrophobicContact CG2-CG 4.32Å
424R83.3Confident87.6Confident66 Ų6671.2 Ų71.225%0.24933%0.334CS..EExtended strand (participates in β ladder)trans-80.7136.2170.9-61-175-175.4171.40.7109.1D155 F156 G390 H391D155-R424 PolarHBondContact O-NH2 2.7Å; D155-R424 VanDerWaalsContact O-NH2 3.07Å; F156-R424 HydrophobicContact CE1-CG 4.1Å; G390-R424 CarbonylContact C-O 3.57Å; G390-R424 WeakPolarHBondContact CA-O 3.42Å; H391-R424 PolarHBondContact N-O 3.42Å; H391-R424 PolarHBondContact ND1-O 3.41Å; H391-R424 VanDerWaalsContact ND1-O 3.14Å; H391-R424 PolarHBondContact O-N 2.89Å
425R81.6Confident87.4Confident119 Ų11961.8 Ų61.845%0.44930%0.303SS..EExtended strand (participates in β ladder)trans-51.6156.2171.8-161.3171-69.1-133.41.3110.7D287 V289D287-R425 HydrophobicContact CB-CB 4.11Å; D287-R425 WeakPolarHBondContact O-CB 3.21Å; D287-R425 PolarHBondContact O-N 3.1Å; V289-R425 HydrophobicContact CG1-CB 4.05Å; V289-R425 HydrophobicContact CG1-CG 4.24Å
426I68.7Low87.1Confident117 Ų11754.3 Ų54.360%0.627%0.274SS*.  trans-106.90-172-75.7166.8000111.4T376 N388 H391T376-I426 HydrophobicContact CG2-CD1 3.74Å; N388-I426 HydrophobicContact CB-CD1 3.34Å; H391-I426 HydrophobicContact CB-CD1 4.18Å; H391-I426 HydrophobicContact CB-CG1 4.31Å; H391-I426 VanDerWaalsContact ND1-CG1 3.33Å; H391-I426 WeakPolarHBondContact ND1-CG1 3.43Å

Retrieved 426 of 426 residues in 2568.3 ms (Link to these results)