A0A096M7U6_POEFO Loading...

Toll like receptor 8

AlphaFold DB , UniProt , Accession A0A096M7U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,026 aa.

						>A0A096M7U6_POEFO|A0A096M7U6
MTAKCWIYLLLLGLCCHLEIQPAACKLHWTAQFLCDVTTSNSSEVQFDCSGRALEWVPSGITTNVTALDLSKNYLKTIKADAFSKLLNLTSLNLNLANMYKKVVFKASLRNLTKLQDLKMSANGLEEIPSYLPASVEILELSSNNITNVNQTSFANLRNLTQLWLSKNCYYWNPCGKPVKIQNNSFTHMTKLKNLDLSYNNLSNVPKGLPQSLEVLNVSCNKIQYIFREDLSGLNNLKLLKIQGNCPRCENAPFPCVPCPNGSLGIDPDAFENLSELEEINMGGNSLEYLNPSWFKNLRKLKHLLLSFNFLLREVTGRAEFLRYLPRLEVLEFSFNYALKSYPNTINLSTEFSNLKSLRTLHMEGLVFQNIQPDTLKPLYEIRNLSALNLGTNFIIQADSTVFNKFHPLKMIYLAENRLYPTPQRQLSNSVGRYVQRSDITVSSYFKLPPKDFTFELSHGLIKQQCFNSGRVLVLSSNNLFFISQKQFEGYGDIACLNLSSNGFSAAPNGTEFSLLPNLTYLDLSFNKIDLAYDNAFQELKKLEVLDLSWNAHYFKSFGVTHNLNFLKNLPILRVLNMSHNSISTLTTKQMHSRSLAELQFTHNKLGTLWKVGDDSYKTLFTNLTNLTVLDISWNDIEKIPDDVYEKLPRNLTELRINNNKMTDFSWDSLSYFHRLKILDLSYNSLSNIAGIETVTSFSLTFLYLTHNQICHLESFYFKGMKSLETLSLGSNKLAIINQTTFEPRPENLKTLFLQKNPFQCTCDSLDFLVWIGKREIRIPRLTTEVRCEMPLKDRNKPLIYFDIDQCVNDDMAFKMYVLTTFFLISFMFVATVAHLFYWDASYVLHYVKARLKGYRALSSQENIYDIFVTYDTKDPRVTEWVMMNLRVKLEEEGDKLLPLCLEERDWPLGVPLVDNLTQSIQNSRKTLFVLTEGYVKTGVFRLAMYLAHQRLLDENVDVIVLLMLEPVLQHSHFLRLRRRLCEKSVVEWPRTAAAEPWFWQNLRSVVKVDNQIMYSKTYKKFFSSK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	44.8	Very low	45.9	Very low	246 Å²	246	133.8 Å²	133.8	100%	1.212	67%	0.674	S	S	*	*				0	120.8	0	-80.3	167.1	96.3	0	0	107.5
2	T	45.3	Very low	45.9	Very low	117 Å²	117	131.5 Å²	131.5	72%	0.718	66%	0.664	S	S	*	*			trans	-99.7	160.7	-139.2	44	0	0	0	0	113.7	K4 C5	T2-K4 PolarHBondContact O-N 3.06Å; T2-C5 PolarHBondContact O-N 3.09Å
3	A	42.4	Very low	45.6	Very low	71 Å²	71	124.7 Å²	124.7	59%	0.587	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-36.1	-10	-175.2	0	0	0	0	0	119.6	I7	A3-I7 WeakPolarHBondContact O-CG1 3.43Å; A3-I7 PolarHBondContact O-N 3.28Å
4	K	44.8	Very low	45.5	Very low	163 Å²	163	123.8 Å²	123.8	71%	0.709	64%	0.643	S	S	*	*	H	α-helix	trans	-65.2	-33.5	173.1	-81.8	-177.1	173.2	-179.8	0	113.3	T2 Y8	T2-K4 PolarHBondContact O-N 3.06Å; K4-Y8 WeakPolarHBondContact O-CD2 3.29Å; K4-Y8 PolarHBondContact O-N 3.46Å; K4-Y8 VanDerWaalsContact O-N 3.16Å
5	C	44.5	Very low	45	Very low	88 Å²	88	121.5 Å²	121.5	60%	0.595	64%	0.64	S	S	*	*	H	α-helix	trans	-73.1	-32.6	-175.8	-152.2	0	0	0	0	112.8	T2 L9	T2-C5 PolarHBondContact O-N 3.09Å; C5-L9 PolarHBondContact O-N 3.45Å
6	W	44.8	Very low	44.6	Very low	207 Å²	207	120.1 Å²	120.1	78%	0.784	64%	0.642	S	S	*	*	H	α-helix	trans	-77.8	-32.6	176.4	-79.9	80	0	0	0	112.9	L9 L10	W6-L9 PolarHBondContact O-N 3.39Å; W6-L10 WeakPolarHBondContact O-CB 3.48Å; W6-L10 PolarHBondContact O-N 3.31Å
7	I	48.9	Very low	44.1	Very low	99 Å²	99	121.5 Å²	121.5	51%	0.508	64%	0.644	S	S	.	*	H	α-helix	trans	-69.2	-36.9	174.8	-69.2	168.6	0	0	0	111.2	A3 L10 L11	A3-I7 WeakPolarHBondContact O-CG1 3.43Å; A3-I7 PolarHBondContact O-N 3.28Å; I7-L10 PolarHBondContact O-N 2.94Å; I7-L11 HydrophobicContact CG2-CD1 3.81Å; I7-L11 WeakPolarHBondContact O-CB 3.35Å; I7-L11 PolarHBondContact O-N 3.29Å
8	Y	48.3	Very low	43.9	Very low	161 Å²	161	123.1 Å²	123.1	63%	0.631	65%	0.651	S	S	*	*	H	α-helix	trans	-69.1	-32.5	173.9	-94.3	-86.3	0	0	0	113.2	K4 L12	K4-Y8 WeakPolarHBondContact O-CD2 3.29Å; K4-Y8 PolarHBondContact O-N 3.46Å; K4-Y8 VanDerWaalsContact O-N 3.16Å; Y8-L12 WeakPolarHBondContact O-CB 3.06Å; Y8-L12 WeakPolarHBondContact O-CD1 3.37Å; Y8-L12 PolarHBondContact O-N 3.33Å
9	L	45.9	Very low	43.3	Very low	124 Å²	124	126.1 Å²	126.1	65%	0.649	66%	0.661	S	S	*	*	H	α-helix	trans	-72.5	-35.2	173.4	-107.7	138	0	0	0	112.7	C5 W6 G13	C5-L9 PolarHBondContact O-N 3.45Å; W6-L9 PolarHBondContact O-N 3.39Å; L9-G13 PolarHBondContact O-N 3.31Å
10	L	47.3	Very low	43	Very low	102 Å²	102	126.8 Å²	126.8	53%	0.534	66%	0.664	S	S	.	*	H	α-helix	trans	-70.4	-37.4	172.4	-113.2	144.1	0	0	0	112.1	W6 I7 G13 L14	W6-L10 WeakPolarHBondContact O-CB 3.48Å; W6-L10 PolarHBondContact O-N 3.31Å; I7-L10 PolarHBondContact O-N 2.94Å; L10-G13 PolarHBondContact O-N 3.15Å; L10-L14 HydrophobicContact CD2-CD1 4.31Å; L10-L14 WeakPolarHBondContact O-CB 3.19Å; L10-L14 PolarHBondContact O-N 3.06Å
11	L	48.1	Very low	42.4	Very low	94 Å²	94	129 Å²	129	49%	0.492	67%	0.671	S	S	.	*	H	α-helix	trans	-71.4	-33.8	173.6	-84.4	157.4	0	0	0	112.9	I7 C15	I7-L11 HydrophobicContact CG2-CD1 3.81Å; I7-L11 WeakPolarHBondContact O-CB 3.35Å; I7-L11 PolarHBondContact O-N 3.29Å; L11-C15 WeakPolarHBondContact O-CB 3.38Å; L11-C15 PolarHBondContact O-N 3.19Å; L11-C15 PolarHBondContact O-SG 3.16Å
12	L	46.2	Very low	41.9	Very low	106 Å²	106	122.1 Å²	122.1	56%	0.555	65%	0.645	S	S	*	*	H	α-helix	trans	-69.3	-37.1	170.9	-106	109	0	0	0	112.1	Y8 C15 C16	Y8-L12 WeakPolarHBondContact O-CB 3.06Å; Y8-L12 WeakPolarHBondContact O-CD1 3.37Å; Y8-L12 PolarHBondContact O-N 3.33Å; L12-C15 PolarHBondContact O-N 3.14Å; L12-C16 WeakPolarHBondContact O-CB 3.3Å; L12-C16 PolarHBondContact O-N 3.04Å; L12-C16 PolarHBondContact O-SG 3.21Å
13	G	42.2	Very low	41.3	Very low	43 Å²	43	121.5 Å²	121.5	44%	0.443	65%	0.652	S	S	.	*	H	α-helix	trans	-66.8	-33.2	174.1	0	0	0	0	0	113.6	L9 L10	L9-G13 PolarHBondContact O-N 3.31Å; L10-G13 PolarHBondContact O-N 3.15Å
14	L	43.7	Very low	40.9	Very low	112 Å²	112	121.1 Å²	121.1	59%	0.586	65%	0.648	S	S	*	*	H	α-helix	trans	-80.3	-31.4	174.6	-85.9	151.7	0	0	0	113.2	L10	L10-L14 HydrophobicContact CD2-CD1 4.31Å; L10-L14 WeakPolarHBondContact O-CB 3.19Å; L10-L14 PolarHBondContact O-N 3.06Å
15	C	38.5	Very low	40.2	Very low	89 Å²	89	119 Å²	119	60%	0.601	65%	0.653	S	S	*	*	H	α-helix	trans	-75.3	-32.4	174.6	-72.3	0	0	0	0	113	L11 L12 H17 L18	L11-C15 WeakPolarHBondContact O-CB 3.38Å; L11-C15 PolarHBondContact O-N 3.19Å; L11-C15 PolarHBondContact O-SG 3.16Å; L12-C15 PolarHBondContact O-N 3.14Å; C15-H17 VanDerWaalsContact C-N 3.25Å; C15-H17 PolarHBondContact O-N 3.28Å; C15-L18 PolarHBondContact O-N 3.27Å
16	C	37.3	Very low	39.6	Very low	99 Å²	99	123.5 Å²	123.5	67%	0.669	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-6.5	179.7	-66.2	0	0	0	0	114.3	L12	L12-C16 WeakPolarHBondContact O-CB 3.3Å; L12-C16 PolarHBondContact O-N 3.04Å; L12-C16 PolarHBondContact O-SG 3.21Å
17	H	37.6	Very low	39.2	Very low	145 Å²	145	116.1 Å²	116.1	67%	0.671	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	2.8	173.8	-92.4	-54.3	0	0	0	114.3	C15	C15-H17 VanDerWaalsContact C-N 3.25Å; C15-H17 PolarHBondContact O-N 3.28Å
18	L	39.2	Very low	38.6	Very low	149 Å²	149	120 Å²	120	78%	0.78	65%	0.654	S	S	*	*	S	Bend	trans	-107.9	9.3	-177.7	-111.6	136.5	0	0	0	115.3	C15	C15-L18 PolarHBondContact O-N 3.27Å
19	E	33.4	Very low	38.4	Very low	180 Å²	180	116.5 Å²	116.5	84%	0.841	64%	0.639	S	S	*	*			trans	-125.4	58.9	167.6	-75.9	-169.8	161.7	0	0	111.3
20	I	36.7	Very low	38.1	Very low	140 Å²	140	116.6 Å²	116.6	72%	0.718	65%	0.646	S	S	*	*			trans	-106.8	86.3	145.6	-57.1	175.8	0	0	0	104.3	P22	I20-P22 VanDerWaalsContact O-CD 3.32Å; I20-P22 WeakPolarHBondContact O-CD 3.29Å; I20-P22 VanDerWaalsContact O-N 3.13Å
21	Q	29.9	Very low	37.9	Very low	173 Å²	173	115.7 Å²	115.7	81%	0.808	65%	0.653	S	S	*	*			trans	-50.5	121.1	153	-77.1	-168.8	-22.8	0	0	105.2	A23	Q21-A23 PolarHBondContact O-N 3.32Å
22	P	35.8	Very low	38.4	Very low	102 Å²	102	114.8 Å²	114.8	66%	0.662	65%	0.646	S	S	*	*			trans	-54.8	125.8	154.4	-1.8	15.9	0	0	0	103.2	I20 A24	I20-P22 VanDerWaalsContact O-CD 3.32Å; I20-P22 WeakPolarHBondContact O-CD 3.29Å; I20-P22 VanDerWaalsContact O-N 3.13Å; P22-A24 PolarHBondContact O-N 3.15Å
23	A	32.3	Very low	39.3	Very low	104 Å²	104	111.4 Å²	111.4	86%	0.86	63%	0.627	S	S	*	*			trans	-60.3	74.7	150.2	0	0	0	0	0	105.5	Q21 C25	Q21-A23 PolarHBondContact O-N 3.32Å; A23-C25 VanDerWaalsContact C-N 3.32Å; A23-C25 PolarHBondContact O-N 3.28Å
24	A	33	Very low	40.9	Very low	63 Å²	63	111.1 Å²	111.1	52%	0.521	62%	0.615	S	S	.	*			trans	-59.4	109.1	165.7	0	0	0	0	0	102.2	P22 K26	P22-A24 PolarHBondContact O-N 3.15Å; A24-K26 PolarHBondContact O-N 3.25Å
25	C	30.9	Very low	42.7	Very low	119 Å²	119	106 Å²	106	80%	0.804	59%	0.588	S	S	*	*			trans	-55	93.9	165	-145.9	0	0	0	0	104.3	A23 L27	A23-C25 VanDerWaalsContact C-N 3.32Å; A23-C25 PolarHBondContact O-N 3.28Å; C25-L27 PolarHBondContact O-N 3.31Å
26	K	32.1	Very low	44.7	Very low	182 Å²	182	103.7 Å²	103.7	79%	0.791	57%	0.57	S	S	*	*			trans	-56.9	103.5	167.7	-100	-179.2	177.4	175	0	103.3	A24 H28	A24-K26 PolarHBondContact O-N 3.25Å; K26-H28 PolarHBondContact O-N 3.34Å
27	L	36.3	Very low	46.9	Very low	53 Å²	53	102.4 Å²	102.4	28%	0.277	56%	0.559	S	S	.	*			trans	-60.2	102.1	172.1	-144.8	85.3	0	0	0	104	C25 W29	C25-L27 PolarHBondContact O-N 3.31Å; L27-W29 HydrophobicContact CD2-CD2 4.18Å; L27-W29 HydrophobicContact CD2-CE3 4.39Å; L27-W29 HydrophobicContact CD2-CH2 3.91Å; L27-W29 HydrophobicContact CD2-CZ2 3.65Å; L27-W29 HydrophobicContact CD2-CZ3 4.26Å; L27-W29 PolarHBondContact O-N 3.4Å
28	H	36.2	Very low	49	Very low	179 Å²	179	98.6 Å²	98.6	83%	0.829	55%	0.546	S	S	*	.			trans	-73.4	86.3	176.1	-118.8	-49.2	0	0	0	105.2	K26 T30	K26-H28 PolarHBondContact O-N 3.34Å; H28-T30 PolarHBondContact O-N 3.25Å
29	W	42.9	Very low	50.9	Low	88 Å²	88	96.7 Å²	96.7	33%	0.333	54%	0.541	S	S	.	.			trans	-56.7	116	168.8	-59.2	93.9	0	0	0	106.5	L27 A31 L769 I800 I804	L27-W29 HydrophobicContact CD2-CD2 4.18Å; L27-W29 HydrophobicContact CD2-CE3 4.39Å; L27-W29 HydrophobicContact CD2-CH2 3.91Å; L27-W29 HydrophobicContact CD2-CZ2 3.65Å; L27-W29 HydrophobicContact CD2-CZ3 4.26Å; L27-W29 PolarHBondContact O-N 3.4Å; W29-A31 PolarHBondContact O-N 3.12Å; W29-L769 HydrophobicContact CH2-CB 4.36Å; W29-L769 VanDerWaalsContact CH2-O 3.26Å; W29-L769 WeakPolarHBondContact CH2-O 3.41Å; W29-I800 HydrophobicContact CE3-CD1 3.9Å; W29-I800 HydrophobicContact CH2-CD1 3.62Å; W29-I800 HydrophobicContact CZ2-CD1 4.34Å; W29-I800 HydrophobicContact CZ3-CD1 3.37Å; W29-I804 HydrophobicContact CZ2-CD1 4.08Å
30	T	40.6	Very low	52.4	Low	127 Å²	127	90.4 Å²	90.4	78%	0.779	52%	0.517	S	S	*	.			trans	-60.4	98.6	154.6	46.3	0	0	0	0	104.8	H28 Q32	H28-T30 PolarHBondContact O-N 3.25Å; T30-Q32 PolarHBondContact O-N 2.92Å
31	A	43.9	Very low	53.4	Low	83 Å²	83	90.7 Å²	90.7	69%	0.686	52%	0.52	S	S	*	.			trans	-44.6	104.8	-166.7	0	0	0	0	0	111	W29 F33	W29-A31 PolarHBondContact O-N 3.12Å; A31-F33 PolarHBondContact O-N 3.49Å
32	Q	57.8	Low	54.8	Low	75 Å²	75	89 Å²	89	35%	0.35	53%	0.527	S	S	.	.			trans	-72.1	91.4	166.6	-75.5	-171.7	4.9	0	0	106.1	T30 T783	T30-Q32 PolarHBondContact O-N 2.92Å; Q32-T783 VanDerWaalsContact O-CG2 3.28Å; Q32-T783 WeakPolarHBondContact O-CG2 3.38Å
33	F	66.1	Low	56.5	Low	34 Å²	34	88.7 Å²	88.7	15%	0.149	53%	0.527	C	S	.	.			trans	-66.3	161.3	-175.9	-169.7	-112.8	0	0	0	110.4	A31 C35 F47 P58 G60 I61	A31-F33 PolarHBondContact O-N 3.49Å; F33-C35 HydrophobicContact CD1-CB 3.77Å; F33-C35 HydrophobicContact CE1-CB 4.08Å; F33-C35 VanDerWaalsContact CE1-SG 3.51Å; F33-C35 PolarHBondContact O-N 3Å; F33-F47 HydrophobicContact CB-CE1 4.47Å; F33-F47 AromaticContact CD1-CD1 3.42Å; F33-F47 HydrophobicContact CD1-CD1 3.42Å; F33-F47 VanDerWaalsContact CD1-CD1 3.42Å; F33-F47 AromaticContact CD1-CE1 3.35Å; F33-F47 HydrophobicContact CD1-CE1 3.35Å; F33-F47 AromaticContact CE1-CD1 3.52Å; F33-F47 HydrophobicContact CE1-CD1 3.52Å; F33-F47 AromaticContact CE1-CE1 3.64Å; F33-F47 HydrophobicContact CE1-CE1 3.64Å; F33-F47 HydrophobicContact CG-CD1 4.43Å; F33-F47 AromaticContact CG-CE1 3.96Å; F33-F47 HydrophobicContact CG-CE1 3.96Å; F33-F47 HydrophobicContact CZ-CE1 4.47Å; F33-P58 HydrophobicContact CE1-CB 4.15Å; F33-P58 HydrophobicContact CE2-CB 4.21Å; F33-P58 HydrophobicContact CZ-CB 3.51Å; F33-P58 HydrophobicContact CZ-CG 4.49Å; F33-G60 WeakPolarHBondContact CE2-O 3.48Å; F33-G60 VanDerWaalsContact CZ-C 3.47Å; F33-I61 HydrophobicContact CE1-CG1 3.67Å; F33-I61 HydrophobicContact CZ-CB 4.29Å; F33-I61 HydrophobicContact CZ-CG1 3.45Å; F33-I61 VanDerWaalsContact CZ-CG1 3.45Å
34	L	75.4	Confident	58.8	Low	37 Å²	37	87.7 Å²	87.7	19%	0.194	51%	0.505	C	S	.	.	S	Bend	trans	-56.8	-16.1	179.1	-83.8	145	0	0	0	113.8	R52 L54 P58 T783 T784	L34-R52 WeakPolarHBondContact O-CD 3.03Å; L34-R52 VanDerWaalsContact O-CZ 3.28Å; L34-R52 PolarHBondContact O-NE 3.39Å; L34-R52 PolarHBondContact O-NH1 3.33Å; L34-L54 HydrophobicContact CD2-CD2 4.1Å; L34-P58 HydrophobicContact CB-CG 4.42Å; L34-P58 HydrophobicContact CD1-CB 4.08Å; L34-P58 HydrophobicContact CD1-CG 4.33Å; L34-T783 WeakPolarHBondContact CA-OG1 3.46Å; L34-T784 HydrophobicContact CD2-CG2 4.13Å
35	C	80.4	Confident	61.5	Low	4 Å²	4	85.5 Å²	85.5	3%	0.027	49%	0.485	C	S	.	.	S	Bend	trans	-119.7	151.1	-174.3	-45.4	0	0	0	0	110.4	F33 V37 F47 D48 C49	F33-C35 HydrophobicContact CD1-CB 3.77Å; F33-C35 HydrophobicContact CE1-CB 4.08Å; F33-C35 VanDerWaalsContact CE1-SG 3.51Å; F33-C35 PolarHBondContact O-N 3Å; C35-V37 PolarHBondContact O-N 3.21Å; C35-F47 HydrophobicContact CB-CB 4.38Å; C35-F47 HydrophobicContact CB-CD1 4.19Å; C35-D48 WeakPolarHBondContact CA-O 3.27Å; C35-D48 WeakPolarHBondContact CB-O 3.29Å; C35-C49 HydrophobicContact CB-CB 3.84Å; C35-C49 WeakPolarHBondContact CB-SG 3.39Å; C35-C49 WeakPolarHBondContact SG-CB 3.22Å; C35-C49 CovalentContact SG-SG 2.01Å; C35-C49 PolarHBondContact SG-SG 3.31Å
36	D	81.7	Confident	64.3	Low	42 Å²	42	83 Å²	83	23%	0.225	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.6	173	-80.7	12.3	0	0	0	107.7	D48 R52 R778	D36-D48 HydrophobicContact CB-CB 4.42Å; D36-D48 PolarHBondContact N-O 2.75Å; D36-D48 PolarHBondContact O-N 2.83Å; D36-R52 IonicContact OD1-CZ 3.8Å; D36-R52 IonicContact OD1-NH1 3.63Å; D36-R52 IonicContact OD1-NH2 3.39Å; D36-R52 PolarHBondContact OD1-NH2 2.81Å; D36-R52 IonicContact OD2-NH2 2.93Å; D36-R778 IonicContact OD2-CZ 3.69Å; D36-R778 IonicContact OD2-NH2 2.85Å; D36-R778 PolarHBondContact OD2-NH2 2.69Å
37	V	83	Confident	67.1	Low	72 Å²	72	74.6 Å²	74.6	44%	0.436	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.2	178	-174.2	0	0	0	0	108	C35 V45 Q46 F47	C35-V37 PolarHBondContact O-N 3.21Å; V37-V45 HydrophobicContact CG1-CG1 4.13Å; V37-Q46 WeakPolarHBondContact CA-O 3.17Å; V37-F47 HydrophobicContact CG1-CD2 4.35Å; V37-F47 HydrophobicContact CG1-CE2 4.01Å; V37-F47 HydrophobicContact CG1-CZ 4.26Å; V37-F47 HydrophobicContact CG2-CD1 3.8Å; V37-F47 HydrophobicContact CG2-CD2 4.35Å; V37-F47 HydrophobicContact CG2-CE1 3.55Å; V37-F47 HydrophobicContact CG2-CE2 4.14Å; V37-F47 HydrophobicContact CG2-CG 4.2Å; V37-F47 HydrophobicContact CG2-CZ 3.73Å
38	T	81.9	Confident	69.7	Low	64 Å²	64	74.5 Å²	74.5	39%	0.393	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.9	173.4	52.4	0	0	0	0	109	Q46	T38-Q46 PolarHBondContact N-O 3Å; T38-Q46 PolarHBondContact O-N 3.33Å
39	T	78.6	Confident	72.3	Confident	110 Å²	110	66 Å²	66	68%	0.675	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.1	177.8	53.6	0	0	0	0	107.9	E44 V45	T39-E44 WeakPolarHBondContact CA-O 3.32Å; T39-V45 HydrophobicContact CG2-CG1 4.35Å; T39-V45 HydrophobicContact CG2-CG2 4.28Å
40	S	65.3	Low	74.5	Confident	48 Å²	48	63.4 Å²	63.4	34%	0.336	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	103.2	-177.3	38.9	0	0	0	0	109	E44	S40-E44 PolarHBondContact N-O 2.9Å; S40-E44 WeakPolarHBondContact OG-CB 3.49Å; S40-E44 PolarHBondContact OG-OE2 3.13Å
41	N	57.9	Low	76.8	Confident	145 Å²	145	59 Å²	59	78%	0.775	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	160	-165.7	-58.6	-30.2	0	0	0	111.2	S43 E44	N41-S43 PolarHBondContact O-N 3.3Å; N41-E44 PolarHBondContact O-N 3.43Å
42	S	59.7	Low	78.8	Confident	139 Å²	139	56.2 Å²	56.2	97%	0.972	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	10.3	-169.4	52.2	0	0	0	0	116.1
43	S	70.8	Confident	80.2	Confident	95 Å²	95	55.2 Å²	55.2	66%	0.664	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-22.6	-173.2	55.3	0	0	0	0	115.5	N41	N41-S43 PolarHBondContact O-N 3.3Å
44	E	81.4	Confident	81.2	Confident	82 Å²	82	54.3 Å²	54.3	38%	0.383	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.8	-176.9	-171	178.8	-156.8	0	0	110.5	T39 S40 N41 T66	T39-E44 WeakPolarHBondContact CA-O 3.32Å; S40-E44 PolarHBondContact N-O 2.9Å; S40-E44 WeakPolarHBondContact OG-CB 3.49Å; S40-E44 PolarHBondContact OG-OE2 3.13Å; N41-E44 PolarHBondContact O-N 3.43Å; E44-T66 WeakPolarHBondContact CG-OG1 3.41Å
45	V	88.7	Confident	81.9	Confident	18 Å²	18	57.5 Å²	57.5	11%	0.109	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	106	179.3	-175.4	0	0	0	0	107.7	V37 T39 F47 T66 A67	V37-V45 HydrophobicContact CG1-CG1 4.13Å; T39-V45 HydrophobicContact CG2-CG1 4.35Å; T39-V45 HydrophobicContact CG2-CG2 4.28Å; V45-F47 HydrophobicContact CG1-CD2 4.16Å; V45-F47 HydrophobicContact CG1-CE2 3.73Å; V45-T66 PolarHBondContact N-OG1 3Å; V45-T66 PolarHBondContact O-N 3.31Å; V45-T66 PolarHBondContact O-OG1 3.43Å; V45-A67 PolarHBondContact O-N 3.37Å
46	Q	89.7	Confident	82.3	Confident	67 Å²	67	65 Å²	65	31%	0.313	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.2	-178.8	177.3	179.4	0.2	0	0	111	V37 T38 A67	V37-Q46 WeakPolarHBondContact CA-O 3.17Å; T38-Q46 PolarHBondContact N-O 3Å; T38-Q46 PolarHBondContact O-N 3.33Å; Q46-A67 CarbonylContact C-O 3.53Å; Q46-A67 WeakPolarHBondContact CA-O 3.46Å; Q46-A67 HydrophobicContact CB-CB 4.01Å; Q46-A67 HydrophobicContact CG-CB 3.95Å
47	F	91.4	Very high	82.7	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.022	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.8	170.5	-80.9	-113.2	0	0	0	109.5	F33 C35 V37 V45 I61 T62 V65 A67 L68 D69	F33-F47 HydrophobicContact CB-CE1 4.47Å; F33-F47 AromaticContact CD1-CD1 3.42Å; F33-F47 HydrophobicContact CD1-CD1 3.42Å; F33-F47 VanDerWaalsContact CD1-CD1 3.42Å; F33-F47 AromaticContact CD1-CE1 3.35Å; F33-F47 HydrophobicContact CD1-CE1 3.35Å; F33-F47 AromaticContact CE1-CD1 3.52Å; F33-F47 HydrophobicContact CE1-CD1 3.52Å; F33-F47 AromaticContact CE1-CE1 3.64Å; F33-F47 HydrophobicContact CE1-CE1 3.64Å; F33-F47 HydrophobicContact CG-CD1 4.43Å; F33-F47 AromaticContact CG-CE1 3.96Å; F33-F47 HydrophobicContact CG-CE1 3.96Å; F33-F47 HydrophobicContact CZ-CE1 4.47Å; C35-F47 HydrophobicContact CB-CB 4.38Å; C35-F47 HydrophobicContact CB-CD1 4.19Å; V37-F47 HydrophobicContact CG1-CD2 4.35Å; V37-F47 HydrophobicContact CG1-CE2 4.01Å; V37-F47 HydrophobicContact CG1-CZ 4.26Å; V37-F47 HydrophobicContact CG2-CD1 3.8Å; V37-F47 HydrophobicContact CG2-CD2 4.35Å; V37-F47 HydrophobicContact CG2-CE1 3.55Å; V37-F47 HydrophobicContact CG2-CE2 4.14Å; V37-F47 HydrophobicContact CG2-CG 4.2Å; V37-F47 HydrophobicContact CG2-CZ 3.73Å; V45-F47 HydrophobicContact CG1-CD2 4.16Å; V45-F47 HydrophobicContact CG1-CE2 3.73Å; F47-I61 HydrophobicContact CD1-CG2 4.28Å; F47-I61 HydrophobicContact CD2-CG2 4.47Å; F47-I61 HydrophobicContact CE1-CG2 4.36Å; F47-I61 HydrophobicContact CG-CG2 4.34Å; F47-I61 HydrophobicContact CZ-CG2 4.5Å; F47-T62 WeakPolarHBondContact CE2-OG1 3.39Å; F47-T62 HydrophobicContact CZ-CG2 4.4Å; F47-T62 WeakPolarHBondContact CZ-OG1 3.32Å; F47-V65 HydrophobicContact CB-CG2 4.36Å; F47-V65 HydrophobicContact CD2-CB 4.08Å; F47-V65 HydrophobicContact CD2-CG2 3.57Å; F47-V65 HydrophobicContact CE2-CB 4.24Å; F47-V65 HydrophobicContact CE2-CG2 4.24Å; F47-V65 HydrophobicContact CG-CG2 4.25Å; F47-A67 PolarHBondContact N-O 2.92Å; F47-L68 HydrophobicContact CB-CD1 3.78Å; F47-D69 PolarHBondContact O-N 2.78Å
48	D	89.4	Confident	82.8	Confident	50 Å²	50	61 Å²	61	27%	0.267	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	98.3	174.7	-177.5	2.7	0	0	0	111.1	C35 D36 S50 R52	C35-D48 WeakPolarHBondContact CA-O 3.27Å; C35-D48 WeakPolarHBondContact CB-O 3.29Å; D36-D48 HydrophobicContact CB-CB 4.42Å; D36-D48 PolarHBondContact N-O 2.75Å; D36-D48 PolarHBondContact O-N 2.83Å; D48-S50 WeakPolarHBondContact OD1-CB 3.4Å; D48-S50 PolarHBondContact OD1-N 3.03Å; D48-S50 PolarHBondContact OD1-OG 2.82Å; D48-R52 PolarHBondContact O-NE 2.7Å; D48-R52 VanDerWaalsContact O-NE 3.13Å; D48-R52 PolarHBondContact O-NH2 3.45Å
49	C	90.8	Very high	82.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	38%	0.377	C	S	.	.			trans	-100.8	15.7	175.1	-42.5	0	0	0	0	112.4	C35 R52 L54 D69 L70 N73	C35-C49 HydrophobicContact CB-CB 3.84Å; C35-C49 WeakPolarHBondContact CB-SG 3.39Å; C35-C49 WeakPolarHBondContact SG-CB 3.22Å; C35-C49 CovalentContact SG-SG 2.01Å; C35-C49 PolarHBondContact SG-SG 3.31Å; C49-R52 WeakPolarHBondContact O-CG 3.28Å; C49-L54 HydrophobicContact CB-CD1 3.75Å; C49-D69 CarbonylContact C-O 3.39Å; C49-D69 WeakPolarHBondContact CA-O 3.29Å; C49-D69 WeakPolarHBondContact CB-O 3.47Å; C49-D69 PolarHBondContact N-O 2.69Å; C49-L70 HydrophobicContact CB-CD2 3.79Å; C49-N73 PolarHBondContact O-ND2 2.95Å
50	S	91.1	Very high	82.6	Confident	35 Å²	35	61 Å²	61	25%	0.245	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	138.2	-171.9	69.4	0	0	0	0	112.5	D48 R52 D69 S71	D48-S50 WeakPolarHBondContact OD1-CB 3.4Å; D48-S50 PolarHBondContact OD1-N 3.03Å; D48-S50 PolarHBondContact OD1-OG 2.82Å; S50-R52 VanDerWaalsContact C-N 3.26Å; S50-R52 WeakPolarHBondContact O-CG 3.33Å; S50-R52 PolarHBondContact O-N 3.16Å; S50-D69 PolarHBondContact N-O 3.2Å; S50-S71 CarbonylContact C-O 3.49Å; S50-S71 VanDerWaalsContact CA-O 3.26Å; S50-S71 WeakPolarHBondContact CA-O 3.24Å; S50-S71 WeakPolarHBondContact CB-OG 3.22Å
51	G	88	Confident	83.6	Confident	35 Å²	35	59.7 Å²	59.7	36%	0.361	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	24.9	174	0	0	0	0	0	114.9	S71 K72	G51-S71 PolarHBondContact N-O 3.15Å; G51-K72 WeakPolarHBondContact CA-O 3.44Å
52	R	86.4	Confident	84.9	Confident	24 Å²	24	55.9 Å²	55.9	9%	0.091	34%	0.338	C	S	.	.	S	Bend	trans	-96.6	9	-173.3	-68.4	-162.6	-174.4	-120.1	-12.4	114.8	L34 D36 D48 C49 S50 L54 N73 T784	L34-R52 WeakPolarHBondContact O-CD 3.03Å; L34-R52 VanDerWaalsContact O-CZ 3.28Å; L34-R52 PolarHBondContact O-NE 3.39Å; L34-R52 PolarHBondContact O-NH1 3.33Å; D36-R52 IonicContact OD1-CZ 3.8Å; D36-R52 IonicContact OD1-NH1 3.63Å; D36-R52 IonicContact OD1-NH2 3.39Å; D36-R52 PolarHBondContact OD1-NH2 2.81Å; D36-R52 IonicContact OD2-NH2 2.93Å; D48-R52 PolarHBondContact O-NE 2.7Å; D48-R52 VanDerWaalsContact O-NE 3.13Å; D48-R52 PolarHBondContact O-NH2 3.45Å; C49-R52 WeakPolarHBondContact O-CG 3.28Å; S50-R52 VanDerWaalsContact C-N 3.26Å; S50-R52 WeakPolarHBondContact O-CG 3.33Å; S50-R52 PolarHBondContact O-N 3.16Å; R52-L54 HydrophobicContact CB-CD1 4.32Å; R52-L54 HydrophobicContact CB-CD2 4.25Å; R52-L54 HydrophobicContact CB-CG 3.89Å; R52-L54 PolarHBondContact O-N 2.61Å; R52-N73 PolarHBondContact N-OD1 3.34Å; R52-N73 VanDerWaalsContact N-OD1 3.14Å; R52-T784 HydrophobicContact CB-CG2 4.16Å
53	A	87	Confident	86.2	Confident	54 Å²	54	53.6 Å²	53.6	45%	0.446	32%	0.318	S	S	.	.			trans	55.1	34.1	-176.8	0	0	0	0	0	113.7	N73 Y74	A53-N73 PolarHBondContact N-OD1 3.49Å; A53-N73 VanDerWaalsContact N-OD1 3.1Å; A53-Y74 HydrophobicContact CB-CD2 3.81Å; A53-Y74 HydrophobicContact CB-CE2 3.65Å
54	L	87.6	Confident	87	Confident	15 Å²	15	53 Å²	53	8%	0.079	31%	0.307	C	S	.	.			trans	-71.2	134.3	179.6	-58.5	175.3	0	0	0	110.8	L34 C49 R52 P58 L70 N73 Y74 L75	L34-L54 HydrophobicContact CD2-CD2 4.1Å; C49-L54 HydrophobicContact CB-CD1 3.75Å; R52-L54 HydrophobicContact CB-CD1 4.32Å; R52-L54 HydrophobicContact CB-CD2 4.25Å; R52-L54 HydrophobicContact CB-CG 3.89Å; R52-L54 PolarHBondContact O-N 2.61Å; L54-P58 HydrophobicContact CD1-CG 3.8Å; L54-P58 HydrophobicContact CD2-CG 4.41Å; L54-L70 HydrophobicContact CD1-CD2 4.09Å; L54-N73 HydrophobicContact CB-CB 4.2Å; L54-N73 WeakPolarHBondContact CB-OD1 3.44Å; L54-N73 PolarHBondContact N-OD1 3.25Å; L54-Y74 CarbonylContact O-C 3.14Å; L54-Y74 WeakPolarHBondContact O-CA 3.31Å; L54-Y74 PolarHBondContact O-N 3.36Å; L54-L75 HydrophobicContact CB-CD2 4.09Å; L54-L75 PolarHBondContact O-N 3.23Å
55	E	88.4	Confident	87.5	Confident	104 Å²	104	49 Å²	49	49%	0.486	29%	0.289	S	S	.	.	S	Bend	trans	-96.1	-16.2	174.6	-67	-167.3	-153.1	0	0	113.2	K76	E55-K76 IonicContact OE2-NZ 2.62Å
56	W	89	Confident	87.7	Confident	162 Å²	162	49.1 Å²	49.1	61%	0.614	29%	0.289	S	S	*	.	S	Bend	trans	-142.5	161.3	176.9	57.8	88.3	0	0	0	111.2	P58 L75	W56-P58 WeakPolarHBondContact O-CD 3.49Å; W56-L75 WeakPolarHBondContact O-CD2 3.43Å
57	V	90	Very high	87.9	Confident	23 Å²	23	46.3 Å²	46.3	14%	0.139	28%	0.278	C	S	.	.			trans	-68.2	122.9	172.7	-178.9	0	0	0	0	108.9	I61 L70 L75 A82 F83	V57-I61 HydrophobicContact CG1-CD1 4.29Å; V57-L70 HydrophobicContact CG1-CD1 4.15Å; V57-L70 HydrophobicContact CG2-CD1 4.13Å; V57-L75 HydrophobicContact CG2-CD1 4.39Å; V57-A82 HydrophobicContact CB-CB 4.36Å; V57-A82 HydrophobicContact CG2-CB 4.22Å; V57-F83 HydrophobicContact CG1-CE1 4.16Å; V57-F83 HydrophobicContact CG2-CE1 4.37Å; V57-F83 HydrophobicContact CG2-CZ 4.28Å
58	P	86.8	Confident	88.1	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.039	28%	0.278	C	S	.	.			trans	-61.3	139.8	-176.2	-27.8	37.7	0	0	0	114.4	F33 L34 L54 W56 G60	F33-P58 HydrophobicContact CE1-CB 4.15Å; F33-P58 HydrophobicContact CE2-CB 4.21Å; F33-P58 HydrophobicContact CZ-CB 3.51Å; F33-P58 HydrophobicContact CZ-CG 4.49Å; L34-P58 HydrophobicContact CB-CG 4.42Å; L34-P58 HydrophobicContact CD1-CB 4.08Å; L34-P58 HydrophobicContact CD1-CG 4.33Å; L54-P58 HydrophobicContact CD1-CG 3.8Å; L54-P58 HydrophobicContact CD2-CG 4.41Å; W56-P58 WeakPolarHBondContact O-CD 3.49Å; P58-G60 PolarHBondContact O-N 3.49Å
59	S	78.5	Confident	88.3	Confident	130 Å²	130	45.2 Å²	45.2	91%	0.909	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	17.4	-171.2	55.8	0	0	0	0	116.5
60	G	77.3	Confident	88.5	Confident	43 Å²	43	45.2 Å²	45.2	44%	0.443	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	20.9	-179.5	0	0	0	0	0	114.6	F33 P58 T62	F33-G60 WeakPolarHBondContact CE2-O 3.48Å; F33-G60 VanDerWaalsContact CZ-C 3.47Å; P58-G60 PolarHBondContact O-N 3.49Å; G60-T62 PolarHBondContact O-N 3.02Å
61	I	85.1	Confident	88.7	Confident	22 Å²	22	43.9 Å²	43.9	11%	0.113	26%	0.263	C	S	.	.			trans	-67.3	128.2	173.1	-53.9	174.8	0	0	0	108	F33 F47 V57 V65 L68 L86	F33-I61 HydrophobicContact CE1-CG1 3.67Å; F33-I61 HydrophobicContact CZ-CB 4.29Å; F33-I61 HydrophobicContact CZ-CG1 3.45Å; F33-I61 VanDerWaalsContact CZ-CG1 3.45Å; F47-I61 HydrophobicContact CD1-CG2 4.28Å; F47-I61 HydrophobicContact CD2-CG2 4.47Å; F47-I61 HydrophobicContact CE1-CG2 4.36Å; F47-I61 HydrophobicContact CG-CG2 4.34Å; F47-I61 HydrophobicContact CZ-CG2 4.5Å; V57-I61 HydrophobicContact CG1-CD1 4.29Å; I61-V65 HydrophobicContact CG2-CB 4Å; I61-V65 HydrophobicContact CG2-CG1 3.78Å; I61-V65 HydrophobicContact CG2-CG2 4.23Å; I61-L68 HydrophobicContact CD1-CD1 3.8Å; I61-L68 HydrophobicContact CD1-CD2 3.73Å; I61-L68 HydrophobicContact CD1-CG 4.45Å; I61-L86 HydrophobicContact CB-CD2 4.17Å; I61-L86 HydrophobicContact CD1-CD1 4.41Å; I61-L86 HydrophobicContact CG2-CD1 4.17Å; I61-L86 HydrophobicContact CG2-CD2 3.91Å
62	T	86.5	Confident	89	Confident	65 Å²	65	48 Å²	48	40%	0.399	27%	0.271	S	S	.	.			trans	-72.8	151.4	-178.1	53	0	0	0	0	111.7	F47 G60 N64 V65	F47-T62 WeakPolarHBondContact CE2-OG1 3.39Å; F47-T62 HydrophobicContact CZ-CG2 4.4Å; F47-T62 WeakPolarHBondContact CZ-OG1 3.32Å; G60-T62 PolarHBondContact O-N 3.02Å; T62-N64 WeakPolarHBondContact CB-OD1 3.27Å; T62-N64 PolarHBondContact O-N 3.15Å; T62-N64 PolarHBondContact OG1-OD1 3.18Å; T62-V65 WeakPolarHBondContact O-CB 3.16Å; T62-V65 VanDerWaalsContact O-CG1 3.25Å; T62-V65 WeakPolarHBondContact O-CG1 3.4Å; T62-V65 PolarHBondContact O-N 3.35Å
63	T	86.6	Confident	89.3	Confident	91 Å²	91	46.9 Å²	46.9	56%	0.558	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.5	-176.9	53.7	0	0	0	0	114.1	V65 N88	T63-V65 VanDerWaalsContact C-N 3.3Å; T63-N88 PolarHBondContact O-ND2 2.79Å
64	N	88.5	Confident	89.6	Confident	81 Å²	81	49 Å²	49	43%	0.433	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.8	174.9	68.2	-19.5	0	0	0	113.7	T62 T66	T62-N64 WeakPolarHBondContact CB-OD1 3.27Å; T62-N64 PolarHBondContact O-N 3.15Å; T62-N64 PolarHBondContact OG1-OD1 3.18Å; N64-T66 PolarHBondContact O-N 3.33Å
65	V	90.3	Very high	89.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.			trans	-58.1	133.6	175.9	67.4	0	0	0	0	111.2	F47 I61 T62 T63 A67 L68 L86 N88 L89	F47-V65 HydrophobicContact CB-CG2 4.36Å; F47-V65 HydrophobicContact CD2-CB 4.08Å; F47-V65 HydrophobicContact CD2-CG2 3.57Å; F47-V65 HydrophobicContact CE2-CB 4.24Å; F47-V65 HydrophobicContact CE2-CG2 4.24Å; F47-V65 HydrophobicContact CG-CG2 4.25Å; I61-V65 HydrophobicContact CG2-CB 4Å; I61-V65 HydrophobicContact CG2-CG1 3.78Å; I61-V65 HydrophobicContact CG2-CG2 4.23Å; T62-V65 WeakPolarHBondContact O-CB 3.16Å; T62-V65 VanDerWaalsContact O-CG1 3.25Å; T62-V65 WeakPolarHBondContact O-CG1 3.4Å; T62-V65 PolarHBondContact O-N 3.35Å; T63-V65 VanDerWaalsContact C-N 3.3Å; V65-A67 VanDerWaalsContact CG2-O 3.3Å; V65-A67 WeakPolarHBondContact CG2-O 3.31Å; V65-L68 HydrophobicContact CG2-CB 4.45Å; V65-L86 HydrophobicContact CG1-CB 4.09Å; V65-L86 HydrophobicContact CG1-CD1 4.19Å; V65-L86 HydrophobicContact CG1-CD2 3.82Å; V65-L86 HydrophobicContact CG1-CG 4.24Å; V65-N88 CarbonylContact O-C 3.58Å; V65-L89 HydrophobicContact CG1-CD1 4Å; V65-L89 HydrophobicContact CG2-CD1 4.05Å; V65-L89 PolarHBondContact O-N 2.86Å
66	T	93.1	Very high	90	Very high	19 Å²	19	49 Å²	49	12%	0.117	26%	0.261	C	S	.	.			trans	-109.1	-36.5	174.8	55.5	0	0	0	0	111.1	E44 V45 N64 L89 T90 S91	E44-T66 WeakPolarHBondContact CG-OG1 3.41Å; V45-T66 PolarHBondContact N-OG1 3Å; V45-T66 PolarHBondContact O-N 3.31Å; V45-T66 PolarHBondContact O-OG1 3.43Å; N64-T66 PolarHBondContact O-N 3.33Å; T66-L89 CarbonylContact O-C 3.37Å; T66-L89 WeakPolarHBondContact O-CA 3.33Å; T66-L89 WeakPolarHBondContact O-CD1 3.46Å; T66-T90 PolarHBondContact O-N 3.17Å; T66-T90 PolarHBondContact O-OG1 3.19Å; T66-T90 VanDerWaalsContact O-OG1 3.05Å; T66-S91 PolarHBondContact O-N 3.16Å
67	A	94.1	Very high	90.1	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.5	177.9	0	0	0	0	0	111.4	V45 Q46 F47 V65 S91	V45-A67 PolarHBondContact O-N 3.37Å; Q46-A67 CarbonylContact C-O 3.53Å; Q46-A67 WeakPolarHBondContact CA-O 3.46Å; Q46-A67 HydrophobicContact CB-CB 4.01Å; Q46-A67 HydrophobicContact CG-CB 3.95Å; F47-A67 PolarHBondContact N-O 2.92Å; V65-A67 VanDerWaalsContact CG2-O 3.3Å; V65-A67 WeakPolarHBondContact CG2-O 3.31Å; A67-S91 WeakPolarHBondContact CA-O 3.36Å
68	L	95	Very high	90.1	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.7	179.1	177.9	59.9	0	0	0	110.6	F47 I61 V65 L70 F83 L86 L89 S91 L92 N93	F47-L68 HydrophobicContact CB-CD1 3.78Å; I61-L68 HydrophobicContact CD1-CD1 3.8Å; I61-L68 HydrophobicContact CD1-CD2 3.73Å; I61-L68 HydrophobicContact CD1-CG 4.45Å; V65-L68 HydrophobicContact CG2-CB 4.45Å; L68-L70 HydrophobicContact CD1-CG 4.15Å; L68-L70 HydrophobicContact CD2-CD1 3.82Å; L68-L70 HydrophobicContact CD2-CG 4.33Å; L68-L70 HydrophobicContact CG-CD1 4.05Å; L68-L70 HydrophobicContact CG-CG 4.03Å; L68-F83 HydrophobicContact CD2-CD1 4.33Å; L68-F83 HydrophobicContact CD2-CE1 4.09Å; L68-L86 HydrophobicContact CD2-CD1 3.93Å; L68-L89 HydrophobicContact CB-CD1 3.7Å; L68-S91 PolarHBondContact N-O 2.71Å; L68-L92 HydrophobicContact CB-CD1 4.18Å; L68-L92 HydrophobicContact CD2-CD1 4.05Å; L68-L92 HydrophobicContact CG-CD1 4.15Å; L68-N93 PolarHBondContact O-N 3.27Å
69	D	95.2	Very high	90.2	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.1	174	-164.2	-32.8	0	0	0	110.8	F47 C49 S50 S71 N93	F47-D69 PolarHBondContact O-N 2.78Å; C49-D69 CarbonylContact C-O 3.39Å; C49-D69 WeakPolarHBondContact CA-O 3.29Å; C49-D69 WeakPolarHBondContact CB-O 3.47Å; C49-D69 PolarHBondContact N-O 2.69Å; S50-D69 PolarHBondContact N-O 3.2Å; D69-S71 WeakPolarHBondContact OD1-CB 3.39Å; D69-S71 PolarHBondContact OD1-N 3.23Å; D69-S71 PolarHBondContact OD1-OG 3.26Å; D69-N93 HydrophobicContact CB-CB 4.31Å; D69-N93 PolarHBondContact OD1-ND2 3.24Å; D69-N93 PolarHBondContact OD2-ND2 3.23Å
70	L	94.8	Very high	90.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.			trans	-114.4	17.6	176.6	-74.7	166.3	0	0	0	111.7	C49 L54 V57 L68 N73 L75 F83 N93 L94	C49-L70 HydrophobicContact CB-CD2 3.79Å; L54-L70 HydrophobicContact CD1-CD2 4.09Å; V57-L70 HydrophobicContact CG1-CD1 4.15Å; V57-L70 HydrophobicContact CG2-CD1 4.13Å; L68-L70 HydrophobicContact CD1-CG 4.15Å; L68-L70 HydrophobicContact CD2-CD1 3.82Å; L68-L70 HydrophobicContact CD2-CG 4.33Å; L68-L70 HydrophobicContact CG-CD1 4.05Å; L68-L70 HydrophobicContact CG-CG 4.03Å; L70-N73 VanDerWaalsContact C-ND2 3.3Å; L70-N73 PolarHBondContact O-ND2 3.01Å; L70-L75 HydrophobicContact CB-CD1 4.15Å; L70-F83 HydrophobicContact CD1-CE1 3.9Å; L70-F83 HydrophobicContact CD1-CZ 4.24Å; L70-N93 PolarHBondContact N-O 3.3Å; L70-L94 HydrophobicContact CB-CD2 3.83Å; L70-L94 HydrophobicContact CD1-CD2 3.92Å
71	S	94.8	Very high	90.9	Very high	8 Å²	8	49.4 Å²	49.4	6%	0.056	26%	0.259	C	S	.	.			trans	-68.5	158.5	-174.6	67.1	0	0	0	0	113.6	S50 G51 D69 N73 N95	S50-S71 CarbonylContact C-O 3.49Å; S50-S71 VanDerWaalsContact CA-O 3.26Å; S50-S71 WeakPolarHBondContact CA-O 3.24Å; S50-S71 WeakPolarHBondContact CB-OG 3.22Å; G51-S71 PolarHBondContact N-O 3.15Å; D69-S71 WeakPolarHBondContact OD1-CB 3.39Å; D69-S71 PolarHBondContact OD1-N 3.23Å; D69-S71 PolarHBondContact OD1-OG 3.26Å; S71-N73 VanDerWaalsContact C-N 3.31Å; S71-N73 PolarHBondContact O-N 3.04Å; S71-N73 PolarHBondContact O-ND2 2.77Å; S71-N73 VanDerWaalsContact O-ND2 3.16Å; S71-N95 CarbonylContact C-O 3.45Å; S71-N95 WeakPolarHBondContact CA-O 3.2Å; S71-N95 WeakPolarHBondContact CB-O 3.41Å
72	K	93.6	Very high	90.9	Very high	122 Å²	122	49.7 Å²	49.7	53%	0.53	27%	0.265	S	S	.	.	S	Bend	trans	56.4	40.8	176	-54.7	172.3	-177	169.3	0	113.4	G51 N95 L96	G51-K72 WeakPolarHBondContact CA-O 3.44Å; K72-N95 PolarHBondContact N-O 3.07Å; K72-L96 VanDerWaalsContact CA-O 3.32Å; K72-L96 WeakPolarHBondContact CA-O 3Å; K72-L96 HydrophobicContact CG-CB 4.48Å; K72-L96 HydrophobicContact CG-CD1 4.34Å; K72-L96 PolarHBondContact N-O 3.21Å
73	N	93.8	Very high	91.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-111.7	-169	178.3	-80.1	-59.8	0	0	0	111.3	C49 R52 A53 L54 L70 S71 L75 L96 A97 N98 M99	C49-N73 PolarHBondContact O-ND2 2.95Å; R52-N73 PolarHBondContact N-OD1 3.34Å; R52-N73 VanDerWaalsContact N-OD1 3.14Å; A53-N73 PolarHBondContact N-OD1 3.49Å; A53-N73 VanDerWaalsContact N-OD1 3.1Å; L54-N73 HydrophobicContact CB-CB 4.2Å; L54-N73 WeakPolarHBondContact CB-OD1 3.44Å; L54-N73 PolarHBondContact N-OD1 3.25Å; L70-N73 VanDerWaalsContact C-ND2 3.3Å; L70-N73 PolarHBondContact O-ND2 3.01Å; S71-N73 VanDerWaalsContact C-N 3.31Å; S71-N73 PolarHBondContact O-N 3.04Å; S71-N73 PolarHBondContact O-ND2 2.77Å; S71-N73 VanDerWaalsContact O-ND2 3.16Å; N73-L75 HydrophobicContact CB-CG 4.02Å; N73-L96 PolarHBondContact N-O 3.31Å; N73-A97 CarbonylContact C-O 3.45Å; N73-A97 CarbonylContact O-C 3.35Å; N73-N98 CarbonylContact O-C 3.57Å; N73-N98 VanDerWaalsContact O-CA 3.29Å; N73-N98 WeakPolarHBondContact O-CA 3.23Å; N73-M99 VanDerWaalsContact O-CG 3.3Å; N73-M99 WeakPolarHBondContact O-CG 3.41Å; N73-M99 PolarHBondContact O-N 2.77Å
74	Y	93.3	Very high	91	Very high	98 Å²	98	45.3 Å²	45.3	38%	0.384	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-120.1	36.3	179.5	-59.2	-75.2	0	0	0	111.9	A53 L54 K76 A97 M99	A53-Y74 HydrophobicContact CB-CD2 3.81Å; A53-Y74 HydrophobicContact CB-CE2 3.65Å; L54-Y74 CarbonylContact O-C 3.14Å; L54-Y74 WeakPolarHBondContact O-CA 3.31Å; L54-Y74 PolarHBondContact O-N 3.36Å; Y74-K76 PolarHBondContact O-N 2.83Å; Y74-A97 PolarHBondContact N-O 3.28Å; Y74-M99 HydrophobicContact CD1-CB 3.7Å; Y74-M99 HydrophobicContact CD1-CG 3.86Å; Y74-M99 HydrophobicContact CE1-CB 3.45Å; Y74-M99 VanDerWaalsContact CE1-CB 3.45Å; Y74-M99 HydrophobicContact CE1-CE 4.08Å; Y74-M99 HydrophobicContact CE1-CG 3.44Å; Y74-M99 VanDerWaalsContact CE1-CG 3.44Å; Y74-M99 VanDerWaalsContact OH-CE 3.31Å; Y74-M99 WeakPolarHBondContact OH-CE 3.43Å
75	L	93.1	Very high	91	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.			trans	-68.5	84.9	-178.2	-56	-178.7	0	0	0	111.4	L54 W56 V57 L70 N73 T77 A97	L54-L75 HydrophobicContact CB-CD2 4.09Å; L54-L75 PolarHBondContact O-N 3.23Å; W56-L75 WeakPolarHBondContact O-CD2 3.43Å; V57-L75 HydrophobicContact CG2-CD1 4.39Å; L70-L75 HydrophobicContact CB-CD1 4.15Å; N73-L75 HydrophobicContact CB-CG 4.02Å; L75-T77 VanDerWaalsContact C-N 3.27Å; L75-T77 PolarHBondContact O-N 2.86Å; L75-A97 HydrophobicContact CB-CB 4.33Å; L75-A97 VanDerWaalsContact CB-O 3.29Å; L75-A97 WeakPolarHBondContact CB-O 3.5Å; L75-A97 HydrophobicContact CD1-CB 4.2Å; L75-A97 PolarHBondContact N-O 2.98Å
76	K	91.2	Very high	91	Very high	118 Å²	118	49.5 Å²	49.5	51%	0.513	26%	0.255	S	S	.	.	S	Bend	trans	-59.5	-37.7	-179.6	-64.2	172.3	-172.7	156.5	0	112.6	E55 Y74 V104	E55-K76 IonicContact OE2-NZ 2.62Å; Y74-K76 PolarHBondContact O-N 2.83Å; K76-V104 PolarHBondContact O-N 2.98Å
77	T	90.8	Very high	90.9	Very high	61 Å²	61	52.8 Å²	52.8	37%	0.374	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	129.8	-177.7	-57.9	0	0	0	0	110.6	L75 V104	L75-T77 VanDerWaalsContact C-N 3.27Å; L75-T77 PolarHBondContact O-N 2.86Å; T77-V104 WeakPolarHBondContact CA-O 3.18Å; T77-V104 HydrophobicContact CG2-CB 4.19Å; T77-V104 HydrophobicContact CG2-CG1 4.27Å
78	I	90.3	Very high	90.9	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.2	172.2	-59.5	179.1	0	0	0	107.5	A82 F83 L94 V103 V104 F105 K106 A107	I78-A82 HydrophobicContact CG2-CB 4.01Å; I78-F83 HydrophobicContact CG2-CE2 3.61Å; I78-F83 HydrophobicContact CG2-CZ 4.01Å; I78-L94 HydrophobicContact CD1-CD1 4.16Å; I78-L94 HydrophobicContact CD1-CD2 3.95Å; I78-V103 HydrophobicContact CD1-CG1 4.04Å; I78-V103 HydrophobicContact CG1-CG1 4.04Å; I78-V104 PolarHBondContact N-O 3.05Å; I78-F105 HydrophobicContact CB-CD2 4.23Å; I78-F105 HydrophobicContact CB-CE2 4.42Å; I78-F105 HydrophobicContact CD1-CD2 3.79Å; I78-F105 HydrophobicContact CD1-CE2 3.77Å; I78-F105 HydrophobicContact CG1-CD2 4.49Å; I78-F105 HydrophobicContact CG2-CE2 4.24Å; I78-K106 WeakPolarHBondContact O-CB 3.32Å; I78-K106 PolarHBondContact O-N 2.81Å; I78-A107 HydrophobicContact CG2-CB 3.82Å; I78-A107 PolarHBondContact O-N 3.03Å
79	K	88.9	Confident	90.8	Very high	140 Å²	140	55.1 Å²	55.1	61%	0.609	28%	0.283	S	S	*	.			trans	-69.3	159.5	-175.3	-63.5	-177.5	179.7	178.6	0	112.2	D81 A82 A107	K79-D81 VanDerWaalsContact C-N 3.27Å; K79-D81 WeakPolarHBondContact CB-OD1 3.3Å; K79-D81 PolarHBondContact O-N 2.93Å; K79-A82 VanDerWaalsContact O-CB 3.29Å; K79-A82 WeakPolarHBondContact O-CB 3.49Å; K79-A82 PolarHBondContact O-N 3.18Å; K79-A107 WeakPolarHBondContact O-CB 3.23Å
80	A	84.8	Confident	90.8	Very high	67 Å²	67	55.8 Å²	55.8	55%	0.554	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.7	-176.5	0	0	0	0	0	113.7	K106	A80-K106 WeakPolarHBondContact CA-O 3.28Å
81	D	84.7	Confident	90.9	Very high	103 Å²	103	57.1 Å²	57.1	55%	0.551	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.8	-174.3	61.1	-30.8	0	0	0	113.9	K79 F83 S84	K79-D81 VanDerWaalsContact C-N 3.27Å; K79-D81 WeakPolarHBondContact CB-OD1 3.3Å; K79-D81 PolarHBondContact O-N 2.93Å; D81-F83 PolarHBondContact O-N 3.11Å; D81-S84 WeakPolarHBondContact O-CB 3.21Å; D81-S84 PolarHBondContact O-N 3.36Å; D81-S84 PolarHBondContact O-OG 3.09Å
82	A	86.4	Confident	91	Very high	28 Å²	28	56.8 Å²	56.8	23%	0.231	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.4	-169.2	0	0	0	0	0	114.4	V57 I78 K79	V57-A82 HydrophobicContact CB-CB 4.36Å; V57-A82 HydrophobicContact CG2-CB 4.22Å; I78-A82 HydrophobicContact CG2-CB 4.01Å; K79-A82 VanDerWaalsContact O-CB 3.29Å; K79-A82 WeakPolarHBondContact O-CB 3.49Å; K79-A82 PolarHBondContact O-N 3.18Å
83	F	90.5	Very high	91.1	Very high	3 Å²	3	52 Å²	52	1%	0.013	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	4.4	-179.1	-50	-63.5	0	0	0	113.6	V57 L68 L70 I78 D81 K85 L86 L92 L94 A107 L109 L112	V57-F83 HydrophobicContact CG1-CE1 4.16Å; V57-F83 HydrophobicContact CG2-CE1 4.37Å; V57-F83 HydrophobicContact CG2-CZ 4.28Å; L68-F83 HydrophobicContact CD2-CD1 4.33Å; L68-F83 HydrophobicContact CD2-CE1 4.09Å; L70-F83 HydrophobicContact CD1-CE1 3.9Å; L70-F83 HydrophobicContact CD1-CZ 4.24Å; I78-F83 HydrophobicContact CG2-CE2 3.61Å; I78-F83 HydrophobicContact CG2-CZ 4.01Å; D81-F83 PolarHBondContact O-N 3.11Å; F83-K85 PolarHBondContact O-N 3.31Å; F83-L86 HydrophobicContact CD1-CD1 4.13Å; F83-L86 PolarHBondContact O-N 3.05Å; F83-L92 HydrophobicContact CD2-CD2 4.43Å; F83-L92 HydrophobicContact CE1-CD1 4.11Å; F83-L92 HydrophobicContact CE1-CD2 4.39Å; F83-L92 HydrophobicContact CE2-CD2 4.19Å; F83-L92 HydrophobicContact CZ-CD1 4.34Å; F83-L92 HydrophobicContact CZ-CD2 4.18Å; F83-L94 HydrophobicContact CE2-CD1 4.45Å; F83-L94 HydrophobicContact CZ-CD1 4.3Å; F83-L94 HydrophobicContact CZ-CD2 4.23Å; F83-A107 HydrophobicContact CD2-CB 3.99Å; F83-A107 HydrophobicContact CE2-CB 4.17Å; F83-L109 HydrophobicContact CB-CD2 4.49Å; F83-L109 HydrophobicContact CD2-CD2 3.52Å; F83-L109 HydrophobicContact CE2-CD2 4.09Å; F83-L109 HydrophobicContact CG-CD2 4.3Å; F83-L112 HydrophobicContact CB-CD1 4.16Å
84	S	84.8	Confident	91.2	Very high	62 Å²	62	52 Å²	52	43%	0.434	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.6	-170.3	58.8	0	0	0	0	114.6	D81	D81-S84 WeakPolarHBondContact O-CB 3.21Å; D81-S84 PolarHBondContact O-N 3.36Å; D81-S84 PolarHBondContact O-OG 3.09Å
85	K	86.7	Confident	91.3	Very high	161 Å²	161	48.9 Å²	48.9	70%	0.7	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-10.3	-179.1	-61.3	-178.9	-179.4	178.7	0	114	F83 L87	F83-K85 PolarHBondContact O-N 3.31Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 3.35Å
86	L	91.5	Very high	91.3	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	27%	0.273	C	S	.	.			trans	-94.5	53.3	-169.4	-50.8	-175	0	0	0	111.9	I61 V65 L68 F83 N88 L89 L112	I61-L86 HydrophobicContact CB-CD2 4.17Å; I61-L86 HydrophobicContact CD1-CD1 4.41Å; I61-L86 HydrophobicContact CG2-CD1 4.17Å; I61-L86 HydrophobicContact CG2-CD2 3.91Å; V65-L86 HydrophobicContact CG1-CB 4.09Å; V65-L86 HydrophobicContact CG1-CD1 4.19Å; V65-L86 HydrophobicContact CG1-CD2 3.82Å; V65-L86 HydrophobicContact CG1-CG 4.24Å; L68-L86 HydrophobicContact CD2-CD1 3.93Å; F83-L86 HydrophobicContact CD1-CD1 4.13Å; F83-L86 PolarHBondContact O-N 3.05Å; L86-N88 PolarHBondContact O-N 3.31Å; L86-N88 VanDerWaalsContact O-N 3.15Å; L86-L89 VanDerWaalsContact O-CB 3.28Å; L86-L89 WeakPolarHBondContact O-CB 3.41Å; L86-L89 PolarHBondContact O-N 3.37Å; L86-L112 VanDerWaalsContact O-CD2 3.31Å; L86-L112 WeakPolarHBondContact O-CD2 3.47Å
87	L	91.3	Very high	91.4	Very high	88 Å²	88	44.7 Å²	44.7	46%	0.461	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16	-170.2	-58.8	177.3	0	0	0	114.7	K85	K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 3.35Å
88	N	92.7	Very high	91.5	Very high	60 Å²	60	42.4 Å²	42.4	32%	0.321	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0.7	178.3	-74.6	-29.3	0	0	0	114.2	T63 V65 L86 T90 K114	T63-N88 PolarHBondContact O-ND2 2.79Å; V65-N88 CarbonylContact O-C 3.58Å; L86-N88 PolarHBondContact O-N 3.31Å; L86-N88 VanDerWaalsContact O-N 3.15Å; N88-T90 PolarHBondContact O-N 2.94Å; N88-K114 PolarHBondContact OD1-NZ 3.45Å
89	L	94.4	Very high	91.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.			trans	-66.4	122.9	-175.5	-159.2	73.3	0	0	0	111.4	V65 T66 L68 L86 L92 L112 K114 L115	V65-L89 HydrophobicContact CG1-CD1 4Å; V65-L89 HydrophobicContact CG2-CD1 4.05Å; V65-L89 PolarHBondContact O-N 2.86Å; T66-L89 CarbonylContact O-C 3.37Å; T66-L89 WeakPolarHBondContact O-CA 3.33Å; T66-L89 WeakPolarHBondContact O-CD1 3.46Å; L68-L89 HydrophobicContact CB-CD1 3.7Å; L86-L89 VanDerWaalsContact O-CB 3.28Å; L86-L89 WeakPolarHBondContact O-CB 3.41Å; L86-L89 PolarHBondContact O-N 3.37Å; L89-L92 HydrophobicContact CD2-CB 3.82Å; L89-L92 HydrophobicContact CD2-CD1 4.19Å; L89-L92 HydrophobicContact CD2-CD2 4.27Å; L89-L92 HydrophobicContact CD2-CG 4.31Å; L89-L112 HydrophobicContact CD2-CD1 4.36Å; L89-K114 CarbonylContact O-C 3.46Å; L89-K114 VanDerWaalsContact O-C 3.29Å; L89-L115 HydrophobicContact CD2-CD1 4.16Å; L89-L115 HydrophobicContact CG-CD1 4.16Å; L89-L115 VanDerWaalsContact O-CA 3.23Å; L89-L115 WeakPolarHBondContact O-CA 3.48Å; L89-L115 PolarHBondContact O-N 3.11Å; L89-L115 VanDerWaalsContact O-N 3.14Å
90	T	95.1	Very high	90.5	Very high	43 Å²	43	47.5 Å²	47.5	26%	0.264	25%	0.254	S	S	.	.	S	Bend	trans	-103.7	-29.6	175	58.9	0	0	0	0	112.1	T66 N88 K114 Q116 D117	T66-T90 PolarHBondContact O-N 3.17Å; T66-T90 PolarHBondContact O-OG1 3.19Å; T66-T90 VanDerWaalsContact O-OG1 3.05Å; N88-T90 PolarHBondContact O-N 2.94Å; T90-K114 WeakPolarHBondContact CA-O 3.15Å; T90-K114 HydrophobicContact CG2-CB 4.46Å; T90-Q116 PolarHBondContact O-N 3.47Å; T90-D117 PolarHBondContact O-N 3.25Å
91	S	96.3	Very high	90.5	Very high	28 Å²	28	51.3 Å²	51.3	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.9	176.8	-178.3	0	0	0	0	112.3	T66 A67 L68 D117	T66-S91 PolarHBondContact O-N 3.16Å; A67-S91 WeakPolarHBondContact CA-O 3.36Å; L68-S91 PolarHBondContact N-O 2.71Å; S91-D117 CarbonylContact C-O 3.24Å; S91-D117 WeakPolarHBondContact CA-O 3.3Å; S91-D117 PolarHBondContact OG-OD2 3.18Å
92	L	96.3	Very high	90.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	113.3	175.9	179.2	56.4	0	0	0	110.5	L68 F83 L89 L94 L109 L115 D117 L118 K119	L68-L92 HydrophobicContact CB-CD1 4.18Å; L68-L92 HydrophobicContact CD2-CD1 4.05Å; L68-L92 HydrophobicContact CG-CD1 4.15Å; F83-L92 HydrophobicContact CD2-CD2 4.43Å; F83-L92 HydrophobicContact CE1-CD1 4.11Å; F83-L92 HydrophobicContact CE1-CD2 4.39Å; F83-L92 HydrophobicContact CE2-CD2 4.19Å; F83-L92 HydrophobicContact CZ-CD1 4.34Å; F83-L92 HydrophobicContact CZ-CD2 4.18Å; L89-L92 HydrophobicContact CD2-CB 3.82Å; L89-L92 HydrophobicContact CD2-CD1 4.19Å; L89-L92 HydrophobicContact CD2-CD2 4.27Å; L89-L92 HydrophobicContact CD2-CG 4.31Å; L92-L94 HydrophobicContact CD1-CD1 4.45Å; L92-L94 HydrophobicContact CD1-CD2 4.41Å; L92-L94 HydrophobicContact CD1-CG 4.11Å; L92-L94 HydrophobicContact CD2-CD1 3.92Å; L92-L94 HydrophobicContact CD2-CG 4.44Å; L92-L94 HydrophobicContact CG-CD1 4.06Å; L92-L94 HydrophobicContact CG-CG 4.04Å; L92-L109 HydrophobicContact CD2-CD1 4.49Å; L92-L109 HydrophobicContact CD2-CD2 4.16Å; L92-L115 HydrophobicContact CB-CD1 3.87Å; L92-D117 PolarHBondContact N-O 3.18Å; L92-L118 HydrophobicContact CB-CD1 4.05Å; L92-L118 HydrophobicContact CD2-CD1 4.01Å; L92-L118 HydrophobicContact CG-CD1 4.11Å; L92-K119 PolarHBondContact O-N 3.22Å
93	N	96.9	Very high	90.9	Very high	22 Å²	22	50.8 Å²	50.8	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.6	175.9	-176.1	5.7	0	0	0	111.2	L68 D69 L70 N95 K119	L68-N93 PolarHBondContact O-N 3.27Å; D69-N93 HydrophobicContact CB-CB 4.31Å; D69-N93 PolarHBondContact OD1-ND2 3.24Å; D69-N93 PolarHBondContact OD2-ND2 3.23Å; L70-N93 PolarHBondContact N-O 3.3Å; N93-N95 VanDerWaalsContact OD1-CB 3.31Å; N93-N95 WeakPolarHBondContact OD1-CB 3.22Å; N93-N95 PolarHBondContact OD1-N 2.89Å; N93-K119 HydrophobicContact CB-CB 4.49Å; N93-K119 HydrophobicContact CB-CD 4.49Å
94	L	95.3	Very high	90.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.265	C	S	.	.			trans	-120.2	22.1	176.5	-66.6	168	0	0	0	111.5	L70 I78 F83 L92 L96 A97 F105 K119 M120 N123	L70-L94 HydrophobicContact CB-CD2 3.83Å; L70-L94 HydrophobicContact CD1-CD2 3.92Å; I78-L94 HydrophobicContact CD1-CD1 4.16Å; I78-L94 HydrophobicContact CD1-CD2 3.95Å; F83-L94 HydrophobicContact CE2-CD1 4.45Å; F83-L94 HydrophobicContact CZ-CD1 4.3Å; F83-L94 HydrophobicContact CZ-CD2 4.23Å; L92-L94 HydrophobicContact CD1-CD1 4.45Å; L92-L94 HydrophobicContact CD1-CD2 4.41Å; L92-L94 HydrophobicContact CD1-CG 4.11Å; L92-L94 HydrophobicContact CD2-CD1 3.92Å; L92-L94 HydrophobicContact CD2-CG 4.44Å; L92-L94 HydrophobicContact CG-CD1 4.06Å; L92-L94 HydrophobicContact CG-CG 4.04Å; L94-L96 PolarHBondContact O-N 2.82Å; L94-A97 HydrophobicContact CB-CB 4.45Å; L94-A97 WeakPolarHBondContact O-CB 3.03Å; L94-A97 PolarHBondContact O-N 2.97Å; L94-F105 HydrophobicContact CD1-CE2 3.91Å; L94-K119 CarbonylContact C-O 3.52Å; L94-K119 WeakPolarHBondContact CA-O 3.48Å; L94-K119 WeakPolarHBondContact CB-O 3.35Å; L94-K119 PolarHBondContact N-O 2.96Å; L94-M120 HydrophobicContact CB-CG 4.46Å; L94-M120 HydrophobicContact CD1-CG 4.47Å; L94-N123 PolarHBondContact O-ND2 2.93Å; L94-N123 PolarHBondContact O-OD1 3.28Å
95	N	95.5	Very high	90.9	Very high	31 Å²	31	52.2 Å²	52.2	17%	0.166	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	132.8	178.7	-73.4	-7.8	0	0	0	110.7	S71 K72 N93 A97 K119 M120 S121 E140	S71-N95 CarbonylContact C-O 3.45Å; S71-N95 WeakPolarHBondContact CA-O 3.2Å; S71-N95 WeakPolarHBondContact CB-O 3.41Å; K72-N95 PolarHBondContact N-O 3.07Å; N93-N95 VanDerWaalsContact OD1-CB 3.31Å; N93-N95 WeakPolarHBondContact OD1-CB 3.22Å; N93-N95 PolarHBondContact OD1-N 2.89Å; N95-A97 PolarHBondContact O-N 3.27Å; N95-K119 VanDerWaalsContact OD1-CB 3.27Å; N95-K119 WeakPolarHBondContact OD1-CB 3.06Å; N95-M120 PolarHBondContact OD1-N 3.3Å; N95-S121 WeakPolarHBondContact CA-O 3.35Å; N95-S121 VanDerWaalsContact OD1-CB 3.31Å; N95-S121 WeakPolarHBondContact OD1-CB 3.28Å; N95-S121 PolarHBondContact OD1-N 2.81Å; N95-E140 PolarHBondContact ND2-OE2 2.89Å
96	L	93.9	Very high	90.8	Very high	31 Å²	31	51.4 Å²	51.4	16%	0.162	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	42.7	-177.5	-65.9	162.8	0	0	0	112.6	K72 N73 L94 N98 M99 Y100 S121 A122	K72-L96 VanDerWaalsContact CA-O 3.32Å; K72-L96 WeakPolarHBondContact CA-O 3Å; K72-L96 HydrophobicContact CG-CB 4.48Å; K72-L96 HydrophobicContact CG-CD1 4.34Å; K72-L96 PolarHBondContact N-O 3.21Å; N73-L96 PolarHBondContact N-O 3.31Å; L94-L96 PolarHBondContact O-N 2.82Å; L96-N98 PolarHBondContact O-N 2.81Å; L96-N98 VanDerWaalsContact O-N 3.16Å; L96-M99 PolarHBondContact O-N 3.24Å; L96-Y100 HydrophobicContact CD2-CD1 3.67Å; L96-Y100 HydrophobicContact CD2-CE1 3.57Å; L96-Y100 HydrophobicContact CD2-CG 4.23Å; L96-S121 PolarHBondContact N-O 3.13Å; L96-A122 HydrophobicContact CD2-CB 3.42Å; L96-A122 VanDerWaalsContact CD2-CB 3.42Å; L96-A122 HydrophobicContact CG-CB 3.84Å
97	A	93.1	Very high	90.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.3	-175.5	0	0	0	0	0	113.2	N73 Y74 L75 L94 N95 V103 N123	N73-A97 CarbonylContact C-O 3.45Å; N73-A97 CarbonylContact O-C 3.35Å; Y74-A97 PolarHBondContact N-O 3.28Å; L75-A97 HydrophobicContact CB-CB 4.33Å; L75-A97 VanDerWaalsContact CB-O 3.29Å; L75-A97 WeakPolarHBondContact CB-O 3.5Å; L75-A97 HydrophobicContact CD1-CB 4.2Å; L75-A97 PolarHBondContact N-O 2.98Å; L94-A97 HydrophobicContact CB-CB 4.45Å; L94-A97 WeakPolarHBondContact O-CB 3.03Å; L94-A97 PolarHBondContact O-N 2.97Å; N95-A97 PolarHBondContact O-N 3.27Å; A97-V103 HydrophobicContact CB-CG2 4.09Å; A97-N123 WeakPolarHBondContact CB-OD1 3.17Å; A97-N123 PolarHBondContact N-OD1 3.49Å
98	N	91.8	Very high	89.8	Confident	12 Å²	12	49.9 Å²	49.9	6%	0.064	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-129.6	50.5	173.8	-173.4	22.6	0	0	0	112.7	N73 L96 Y100 K101 K102 V103	N73-N98 CarbonylContact O-C 3.57Å; N73-N98 VanDerWaalsContact O-CA 3.29Å; N73-N98 WeakPolarHBondContact O-CA 3.23Å; L96-N98 PolarHBondContact O-N 2.81Å; L96-N98 VanDerWaalsContact O-N 3.16Å; N98-Y100 PolarHBondContact O-N 2.82Å; N98-Y100 VanDerWaalsContact O-N 3.16Å; N98-K101 WeakPolarHBondContact ND2-CB 3.33Å; N98-K101 WeakPolarHBondContact O-CA 3.46Å; N98-K101 WeakPolarHBondContact O-CB 3.46Å; N98-K101 PolarHBondContact O-N 3.16Å; N98-K102 PolarHBondContact ND2-O 3.48Å; N98-V103 HydrophobicContact CB-CG2 3.55Å
99	M	84.2	Confident	89.6	Confident	69 Å²	69	47 Å²	47	34%	0.34	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	31.4	70.2	171.2	-80.2	-86.4	-81.7	0	0	114.8	N73 Y74 L96 K101	N73-M99 VanDerWaalsContact O-CG 3.3Å; N73-M99 WeakPolarHBondContact O-CG 3.41Å; N73-M99 PolarHBondContact O-N 2.77Å; Y74-M99 HydrophobicContact CD1-CB 3.7Å; Y74-M99 HydrophobicContact CD1-CG 3.86Å; Y74-M99 HydrophobicContact CE1-CB 3.45Å; Y74-M99 VanDerWaalsContact CE1-CB 3.45Å; Y74-M99 HydrophobicContact CE1-CE 4.08Å; Y74-M99 HydrophobicContact CE1-CG 3.44Å; Y74-M99 VanDerWaalsContact CE1-CG 3.44Å; Y74-M99 VanDerWaalsContact OH-CE 3.31Å; Y74-M99 WeakPolarHBondContact OH-CE 3.43Å; L96-M99 PolarHBondContact O-N 3.24Å; M99-K101 PolarHBondContact O-N 3.24Å
100	Y	74.6	Confident	89.2	Confident	181 Å²	181	54.2 Å²	54.2	71%	0.71	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	7.7	179.1	-50.6	-77.1	0	0	0	116.9	L96 N98	L96-Y100 HydrophobicContact CD2-CD1 3.67Å; L96-Y100 HydrophobicContact CD2-CE1 3.57Å; L96-Y100 HydrophobicContact CD2-CG 4.23Å; N98-Y100 PolarHBondContact O-N 2.82Å; N98-Y100 VanDerWaalsContact O-N 3.16Å
101	K	85.1	Confident	88.8	Confident	146 Å²	146	57.6 Å²	57.6	64%	0.635	27%	0.272	S	S	*	.	S	Bend	trans	-104.6	154.6	171.6	-64.4	-179.6	179.9	179.7	0	110.5	N98 M99	N98-K101 WeakPolarHBondContact ND2-CB 3.33Å; N98-K101 WeakPolarHBondContact O-CA 3.46Å; N98-K101 WeakPolarHBondContact O-CB 3.46Å; N98-K101 PolarHBondContact O-N 3.16Å; M99-K101 PolarHBondContact O-N 3.24Å
102	K	88.8	Confident	88.5	Confident	114 Å²	114	56.4 Å²	56.4	50%	0.496	26%	0.264	S	S	.	.			trans	-58.4	138	176.4	-172.7	171.9	-175.9	177.5	0	110.9	N98 N123 E126	N98-K102 PolarHBondContact ND2-O 3.48Å; K102-N123 WeakPolarHBondContact CA-O 3.44Å; K102-E126 IonicContact NZ-OE1 3.58Å; K102-E126 PolarHBondContact NZ-OE1 3.26Å; K102-E126 IonicContact NZ-OE2 2.66Å; K102-E126 PolarHBondContact NZ-OE2 3.09Å
103	V	90.6	Very high	88.3	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.042	29%	0.294	C	S	.	.			trans	-100.7	134.6	173.1	178.9	0	0	0	0	109.2	I78 A97 N98 F105 N123	I78-V103 HydrophobicContact CD1-CG1 4.04Å; I78-V103 HydrophobicContact CG1-CG1 4.04Å; A97-V103 HydrophobicContact CB-CG2 4.09Å; N98-V103 HydrophobicContact CB-CG2 3.55Å; V103-F105 PolarHBondContact O-N 3.46Å; V103-N123 HydrophobicContact CB-CB 4.41Å; V103-N123 HydrophobicContact CG2-CB 4.11Å; V103-N123 PolarHBondContact N-O 3.23Å
104	V	89.1	Confident	88.2	Confident	69 Å²	69	65.4 Å²	65.4	42%	0.418	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.9	169.2	-178.3	0	0	0	0	108.8	K76 T77 I78 K106	K76-V104 PolarHBondContact O-N 2.98Å; T77-V104 WeakPolarHBondContact CA-O 3.18Å; T77-V104 HydrophobicContact CG2-CB 4.19Å; T77-V104 HydrophobicContact CG2-CG1 4.27Å; I78-V104 PolarHBondContact N-O 3.05Å; V104-K106 HydrophobicContact CG1-CG 4.18Å
105	F	86.3	Confident	88.1	Confident	26 Å²	26	65.4 Å²	65.4	11%	0.114	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.3	-178.7	-157.4	-84.5	0	0	0	111	I78 L94 V103 A107 L109 M120 Y131	I78-F105 HydrophobicContact CB-CD2 4.23Å; I78-F105 HydrophobicContact CB-CE2 4.42Å; I78-F105 HydrophobicContact CD1-CD2 3.79Å; I78-F105 HydrophobicContact CD1-CE2 3.77Å; I78-F105 HydrophobicContact CG1-CD2 4.49Å; I78-F105 HydrophobicContact CG2-CE2 4.24Å; L94-F105 HydrophobicContact CD1-CE2 3.91Å; V103-F105 PolarHBondContact O-N 3.46Å; F105-A107 HydrophobicContact CD1-CB 4.34Å; F105-A107 HydrophobicContact CE1-CB 3.71Å; F105-A107 WeakPolarHBondContact CE1-O 3.2Å; F105-A107 HydrophobicContact CZ-CB 3.89Å; F105-L109 HydrophobicContact CE1-CG 4.37Å; F105-L109 HydrophobicContact CZ-CD1 4.02Å; F105-L109 HydrophobicContact CZ-CD2 4.27Å; F105-L109 HydrophobicContact CZ-CG 4.1Å; F105-M120 HydrophobicContact CD2-CE 3.63Å; F105-M120 HydrophobicContact CE1-CE 4.44Å; F105-M120 HydrophobicContact CE2-CE 3.41Å; F105-M120 VanDerWaalsContact CE2-CE 3.41Å; F105-M120 HydrophobicContact CG-CE 4.28Å; F105-M120 HydrophobicContact CZ-CE 3.84Å; F105-Y131 AromaticContact CD1-CE2 3.61Å; F105-Y131 HydrophobicContact CD1-CE2 3.61Å; F105-Y131 AromaticContact CD1-CZ 3.88Å; F105-Y131 WeakPolarHBondContact CD1-OH 3.48Å; F105-Y131 HydrophobicContact CE1-CD2 4.42Å; F105-Y131 AromaticContact CE1-CE2 3.54Å; F105-Y131 HydrophobicContact CE1-CE2 3.54Å
106	K	83.6	Confident	88.2	Confident	143 Å²	143	68 Å²	68	62%	0.622	32%	0.322	S	S	*	.			trans	-114.2	-8.1	175.4	-59	-172.9	179.7	-176.3	0	113.6	I78 A80 V104	I78-K106 WeakPolarHBondContact O-CB 3.32Å; I78-K106 PolarHBondContact O-N 2.81Å; A80-K106 WeakPolarHBondContact CA-O 3.28Å; V104-K106 HydrophobicContact CG1-CG 4.18Å
107	A	80.9	Confident	88.3	Confident	2 Å²	2	68 Å²	68	2%	0.017	32%	0.322	C	S	.	.			trans	-63.6	143.1	178	0	0	0	0	0	112	I78 K79 F83 F105 Y131	I78-A107 HydrophobicContact CG2-CB 3.82Å; I78-A107 PolarHBondContact O-N 3.03Å; K79-A107 WeakPolarHBondContact O-CB 3.23Å; F83-A107 HydrophobicContact CD2-CB 3.99Å; F83-A107 HydrophobicContact CE2-CB 4.17Å; F105-A107 HydrophobicContact CD1-CB 4.34Å; F105-A107 HydrophobicContact CE1-CB 3.71Å; F105-A107 WeakPolarHBondContact CE1-O 3.2Å; F105-A107 HydrophobicContact CZ-CB 3.89Å; A107-Y131 WeakPolarHBondContact O-CD2 3.48Å; A107-Y131 VanDerWaalsContact O-CE2 3.25Å; A107-Y131 WeakPolarHBondContact O-CE2 3.43Å
108	S	81.8	Confident	88.5	Confident	63 Å²	63	68 Å²	68	44%	0.441	32%	0.322	S	S	.	.			trans	-100.8	122.8	164.3	-170.5	0	0	0	0	109
109	L	87.9	Confident	88.8	Confident	0 Å²	0	70 Å²	70	0%	0	33%	0.33	C	S	.	.			trans	-93.1	-0.3	178.6	-58.8	-178.6	0	0	0	112.3	F83 L92 F105 N111 L112 L118 Y131 L132 P133	F83-L109 HydrophobicContact CB-CD2 4.49Å; F83-L109 HydrophobicContact CD2-CD2 3.52Å; F83-L109 HydrophobicContact CE2-CD2 4.09Å; F83-L109 HydrophobicContact CG-CD2 4.3Å; L92-L109 HydrophobicContact CD2-CD1 4.49Å; L92-L109 HydrophobicContact CD2-CD2 4.16Å; F105-L109 HydrophobicContact CE1-CG 4.37Å; F105-L109 HydrophobicContact CZ-CD1 4.02Å; F105-L109 HydrophobicContact CZ-CD2 4.27Å; F105-L109 HydrophobicContact CZ-CG 4.1Å; L109-N111 PolarHBondContact O-N 3.25Å; L109-N111 VanDerWaalsContact O-N 3.14Å; L109-L112 HydrophobicContact CB-CD1 4.35Å; L109-L112 HydrophobicContact CD2-CD1 3.77Å; L109-L112 WeakPolarHBondContact O-CB 3.49Å; L109-L112 PolarHBondContact O-N 3.45Å; L109-L118 HydrophobicContact CD1-CD1 4.01Å; L109-L118 HydrophobicContact CD1-CD2 3.75Å; L109-Y131 CarbonylContact C-O 3.45Å; L109-Y131 PolarHBondContact N-O 3.28Å; L109-L132 HydrophobicContact CD1-CD2 3.97Å; L109-P133 WeakPolarHBondContact O-CG 3.44Å
110	R	85.4	Confident	89.3	Confident	151 Å²	151	66.7 Å²	66.7	57%	0.57	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.7	-171.4	-143	179	-168.7	-172.2	2.2	113.9	L112 Y131	R110-L112 VanDerWaalsContact C-N 3.33Å; R110-Y131 PolarHBondContact N-O 2.8Å; R110-Y131 VanDerWaalsContact N-O 3.12Å
111	N	86.3	Confident	90.2	Very high	113 Å²	113	58.6 Å²	58.6	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.2	-178.9	-67.1	-6.4	0	0	0	113.4	L109 T113	L109-N111 PolarHBondContact O-N 3.25Å; L109-N111 VanDerWaalsContact O-N 3.14Å; N111-T113 VanDerWaalsContact C-N 3.26Å; N111-T113 PolarHBondContact O-N 2.89Å
112	L	91.6	Very high	90.7	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	26%	0.262	C	S	.	.			trans	-82.7	70	179.3	-56.1	179.9	0	0	0	110.3	F83 L86 L89 L109 R110 K114 L115 S135	F83-L112 HydrophobicContact CB-CD1 4.16Å; L86-L112 VanDerWaalsContact O-CD2 3.31Å; L86-L112 WeakPolarHBondContact O-CD2 3.47Å; L89-L112 HydrophobicContact CD2-CD1 4.36Å; L109-L112 HydrophobicContact CB-CD1 4.35Å; L109-L112 HydrophobicContact CD2-CD1 3.77Å; L109-L112 WeakPolarHBondContact O-CB 3.49Å; L109-L112 PolarHBondContact O-N 3.45Å; R110-L112 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.04Å; L112-K114 VanDerWaalsContact O-N 3.16Å; L112-L115 HydrophobicContact CB-CB 3.96Å; L112-L115 HydrophobicContact CB-CD2 4.44Å; L112-L115 HydrophobicContact CD1-CD2 4.24Å; L112-L115 VanDerWaalsContact O-CB 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.14Å; L112-L115 PolarHBondContact O-N 3.07Å; L112-L115 VanDerWaalsContact O-N 3.09Å; L112-S135 PolarHBondContact O-OG 3.46Å
113	T	91.3	Very high	90.9	Very high	104 Å²	104	47.4 Å²	47.4	64%	0.638	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.7	-171	55	0	0	0	0	115.2	N111 S135	N111-T113 VanDerWaalsContact C-N 3.26Å; N111-T113 PolarHBondContact O-N 2.89Å; T113-S135 WeakPolarHBondContact O-CB 3.21Å; T113-S135 PolarHBondContact O-OG 3.14Å
114	K	94.1	Very high	91	Very high	108 Å²	108	47.7 Å²	47.7	47%	0.47	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.6	175.2	-62.4	-173.3	-174.4	173.4	0	113.5	N88 L89 T90 L112 Q116	N88-K114 PolarHBondContact OD1-NZ 3.45Å; L89-K114 CarbonylContact O-C 3.46Å; L89-K114 VanDerWaalsContact O-C 3.29Å; T90-K114 WeakPolarHBondContact CA-O 3.15Å; T90-K114 HydrophobicContact CG2-CB 4.46Å; L112-K114 PolarHBondContact O-N 3.04Å; L112-K114 VanDerWaalsContact O-N 3.16Å; K114-Q116 PolarHBondContact O-N 2.96Å
115	L	95.1	Very high	91.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.			trans	-70.1	120	-175.1	-171.6	71.1	0	0	0	110	L89 L92 L112 L118 P133 S135 V136	L89-L115 HydrophobicContact CD2-CD1 4.16Å; L89-L115 HydrophobicContact CG-CD1 4.16Å; L89-L115 VanDerWaalsContact O-CA 3.23Å; L89-L115 WeakPolarHBondContact O-CA 3.48Å; L89-L115 PolarHBondContact O-N 3.11Å; L89-L115 VanDerWaalsContact O-N 3.14Å; L92-L115 HydrophobicContact CB-CD1 3.87Å; L112-L115 HydrophobicContact CB-CB 3.96Å; L112-L115 HydrophobicContact CB-CD2 4.44Å; L112-L115 HydrophobicContact CD1-CD2 4.24Å; L112-L115 VanDerWaalsContact O-CB 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.14Å; L112-L115 PolarHBondContact O-N 3.07Å; L112-L115 VanDerWaalsContact O-N 3.09Å; L115-L118 HydrophobicContact CD2-CB 4.32Å; L115-L118 HydrophobicContact CD2-CD1 4.38Å; L115-L118 HydrophobicContact CD2-CD2 4.44Å; L115-P133 HydrophobicContact CB-CG 4.14Å; L115-P133 HydrophobicContact CD2-CG 3.99Å; L115-S135 PolarHBondContact N-OG 3.13Å; L115-S135 CarbonylContact O-C 3.44Å; L115-S135 VanDerWaalsContact O-CB 3.3Å; L115-S135 WeakPolarHBondContact O-CB 3.3Å; L115-S135 PolarHBondContact O-OG 3.25Å; L115-V136 HydrophobicContact CD2-CG2 4.42Å; L115-V136 WeakPolarHBondContact O-CA 3.19Å; L115-V136 PolarHBondContact O-N 3.33Å
116	Q	96.3	Very high	91.3	Very high	87 Å²	87	49.3 Å²	49.3	41%	0.407	25%	0.247	S	C	.	.			trans	-111.2	-40.4	-178.4	-71.5	177.2	-44.9	0	0	111.9	T90 K114 E137 I138	T90-Q116 PolarHBondContact O-N 3.47Å; K114-Q116 PolarHBondContact O-N 2.96Å; Q116-E137 HydrophobicContact CB-CG 4.48Å; Q116-E137 HydrophobicContact CG-CG 4.42Å; Q116-E137 PolarHBondContact NE2-OE1 3.13Å; Q116-E137 PolarHBondContact O-N 3.1Å; Q116-I138 PolarHBondContact O-N 2.84Å
117	D	96.8	Very high	91.7	Very high	30 Å²	30	49.3 Å²	49.3	16%	0.16	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.3	-178.8	179.3	13.4	0	0	0	110.5	T90 S91 L92 K119	T90-D117 PolarHBondContact O-N 3.25Å; S91-D117 CarbonylContact C-O 3.24Å; S91-D117 WeakPolarHBondContact CA-O 3.3Å; S91-D117 PolarHBondContact OG-OD2 3.18Å; L92-D117 PolarHBondContact N-O 3.18Å; D117-K119 WeakPolarHBondContact OD1-CE 3.33Å; D117-K119 WeakPolarHBondContact OD1-CG 3.41Å; D117-K119 WeakPolarHBondContact OD2-CE 3.37Å; D117-K119 IonicContact OD2-NZ 3.9Å
118	L	96.7	Very high	92.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.9	179.3	177.7	60.1	0	0	0	110.9	L92 L109 L115 M120 L132 V136 I138 L139 E140	L92-L118 HydrophobicContact CB-CD1 4.05Å; L92-L118 HydrophobicContact CD2-CD1 4.01Å; L92-L118 HydrophobicContact CG-CD1 4.11Å; L109-L118 HydrophobicContact CD1-CD1 4.01Å; L109-L118 HydrophobicContact CD1-CD2 3.75Å; L115-L118 HydrophobicContact CD2-CB 4.32Å; L115-L118 HydrophobicContact CD2-CD1 4.38Å; L115-L118 HydrophobicContact CD2-CD2 4.44Å; L118-M120 HydrophobicContact CD1-CG 3.83Å; L118-M120 HydrophobicContact CD1-SD 4Å; L118-M120 HydrophobicContact CD2-SD 3.92Å; L118-M120 HydrophobicContact CG-CG 3.99Å; L118-M120 HydrophobicContact CG-SD 4.04Å; L118-L132 HydrophobicContact CD2-CD2 3.44Å; L118-L132 VanDerWaalsContact CD2-CD2 3.44Å; L118-V136 HydrophobicContact CB-CG1 4.3Å; L118-I138 PolarHBondContact N-O 3.17Å; L118-L139 HydrophobicContact CB-CD1 4.34Å; L118-L139 HydrophobicContact CD2-CD1 4.09Å; L118-L139 HydrophobicContact CG-CD1 4.17Å; L118-L139 WeakPolarHBondContact O-CA 3.42Å; L118-E140 PolarHBondContact O-N 2.64Å
119	K	97.2	Very high	92.3	Very high	53 Å²	53	47.2 Å²	47.2	23%	0.23	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.2	-179.5	-47.3	-175.2	177	-170.2	0	110.8	L92 N93 L94 N95 D117 E140	L92-K119 PolarHBondContact O-N 3.22Å; N93-K119 HydrophobicContact CB-CB 4.49Å; N93-K119 HydrophobicContact CB-CD 4.49Å; L94-K119 CarbonylContact C-O 3.52Å; L94-K119 WeakPolarHBondContact CA-O 3.48Å; L94-K119 WeakPolarHBondContact CB-O 3.35Å; L94-K119 PolarHBondContact N-O 2.96Å; N95-K119 VanDerWaalsContact OD1-CB 3.27Å; N95-K119 WeakPolarHBondContact OD1-CB 3.06Å; D117-K119 WeakPolarHBondContact OD1-CE 3.33Å; D117-K119 WeakPolarHBondContact OD1-CG 3.41Å; D117-K119 WeakPolarHBondContact OD2-CE 3.37Å; D117-K119 IonicContact OD2-NZ 3.9Å; K119-E140 HydrophobicContact CB-CB 4.22Å; K119-E140 HydrophobicContact CB-CG 4.48Å; K119-E140 WeakPolarHBondContact CD-OE1 3.49Å; K119-E140 WeakPolarHBondContact CE-OE1 3.5Å; K119-E140 HydrophobicContact CG-CB 4.37Å; K119-E140 HydrophobicContact CG-CG 4.12Å; K119-E140 IonicContact NZ-OE1 2.7Å; K119-E140 PolarHBondContact NZ-OE1 3.34Å
120	M	94.7	Very high	91.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.264	C	S	.	.			trans	-136.6	29.3	-176	-61.5	-175.7	71.1	0	0	112.1	L94 N95 F105 L118 N123 L125 P129 E140 L141 N144	L94-M120 HydrophobicContact CB-CG 4.46Å; L94-M120 HydrophobicContact CD1-CG 4.47Å; N95-M120 PolarHBondContact OD1-N 3.3Å; F105-M120 HydrophobicContact CD2-CE 3.63Å; F105-M120 HydrophobicContact CE1-CE 4.44Å; F105-M120 HydrophobicContact CE2-CE 3.41Å; F105-M120 VanDerWaalsContact CE2-CE 3.41Å; F105-M120 HydrophobicContact CG-CE 4.28Å; F105-M120 HydrophobicContact CZ-CE 3.84Å; L118-M120 HydrophobicContact CD1-CG 3.83Å; L118-M120 HydrophobicContact CD1-SD 4Å; L118-M120 HydrophobicContact CD2-SD 3.92Å; L118-M120 HydrophobicContact CG-CG 3.99Å; L118-M120 HydrophobicContact CG-SD 4.04Å; M120-N123 VanDerWaalsContact C-ND2 3.3Å; M120-N123 WeakPolarHBondContact CA-ND2 3.4Å; M120-N123 PolarHBondContact O-ND2 2.84Å; M120-N123 VanDerWaalsContact O-ND2 3.07Å; M120-L125 HydrophobicContact CB-CD1 4.18Å; M120-L125 HydrophobicContact CE-CD1 4.13Å; M120-P129 HydrophobicContact CE-CG 4.41Å; M120-E140 CarbonylContact C-O 3.48Å; M120-E140 WeakPolarHBondContact CA-O 3.41Å; M120-E140 PolarHBondContact N-O 3.31Å; M120-L141 HydrophobicContact CB-CD2 4.07Å; M120-N144 PolarHBondContact O-ND2 2.99Å
121	S	95.2	Very high	91.6	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.084	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	147.1	179.5	-62.3	0	0	0	0	112.4	N95 L96 N123 E140 S142	N95-S121 WeakPolarHBondContact CA-O 3.35Å; N95-S121 VanDerWaalsContact OD1-CB 3.31Å; N95-S121 WeakPolarHBondContact OD1-CB 3.28Å; N95-S121 PolarHBondContact OD1-N 2.81Å; L96-S121 PolarHBondContact N-O 3.13Å; S121-N123 PolarHBondContact O-N 2.88Å; S121-E140 PolarHBondContact N-O 3.29Å; S121-S142 CarbonylContact C-O 3.47Å; S121-S142 WeakPolarHBondContact CA-O 3.47Å; S121-S142 WeakPolarHBondContact CB-O 3.3Å; S121-S142 PolarHBondContact OG-N 2.81Å
122	A	94.3	Very high	91.8	Very high	21 Å²	21	42.3 Å²	42.3	17%	0.174	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	44.2	175.6	0	0	0	0	0	115.4	L96 S142 S143	L96-A122 HydrophobicContact CD2-CB 3.42Å; L96-A122 VanDerWaalsContact CD2-CB 3.42Å; L96-A122 HydrophobicContact CG-CB 3.84Å; A122-S142 PolarHBondContact N-O 3.24Å; A122-S143 VanDerWaalsContact CA-O 3.29Å; A122-S143 WeakPolarHBondContact CA-O 3.5Å
123	N	94	Very high	91.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-111.8	2.3	177.8	-73.2	-39.9	0	0	0	113.9	L94 A97 K102 V103 M120 S121 L125 N144	L94-N123 PolarHBondContact O-ND2 2.93Å; L94-N123 PolarHBondContact O-OD1 3.28Å; A97-N123 WeakPolarHBondContact CB-OD1 3.17Å; A97-N123 PolarHBondContact N-OD1 3.49Å; K102-N123 WeakPolarHBondContact CA-O 3.44Å; V103-N123 HydrophobicContact CB-CB 4.41Å; V103-N123 HydrophobicContact CG2-CB 4.11Å; V103-N123 PolarHBondContact N-O 3.23Å; M120-N123 VanDerWaalsContact C-ND2 3.3Å; M120-N123 WeakPolarHBondContact CA-ND2 3.4Å; M120-N123 PolarHBondContact O-ND2 2.84Å; M120-N123 VanDerWaalsContact O-ND2 3.07Å; S121-N123 PolarHBondContact O-N 2.88Å; N123-L125 VanDerWaalsContact C-N 3.32Å; N123-L125 HydrophobicContact CB-CG 4.13Å; N123-L125 PolarHBondContact O-N 2.67Å; N123-N144 WeakPolarHBondContact CA-OD1 3.36Å; N123-N144 PolarHBondContact N-OD1 2.98Å
124	G	92.1	Very high	91.7	Very high	12 Å²	12	40 Å²	40	12%	0.124	21%	0.213	C	C	.	.			trans	66.9	30.7	-178.3	0	0	0	0	0	113.5	N144	G124-N144 PolarHBondContact N-OD1 3.05Å
125	L	91.5	Very high	91.8	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.084	20%	0.198	C	C	.	.			trans	-68.2	130.2	176.4	-58.4	173.4	0	0	0	110.2	M120 N123 L141 N144 N145 I146	M120-L125 HydrophobicContact CB-CD1 4.18Å; M120-L125 HydrophobicContact CE-CD1 4.13Å; N123-L125 VanDerWaalsContact C-N 3.32Å; N123-L125 HydrophobicContact CB-CG 4.13Å; N123-L125 PolarHBondContact O-N 2.67Å; L125-L141 HydrophobicContact CD1-CD2 3.9Å; L125-N144 HydrophobicContact CB-CB 4.06Å; L125-N144 WeakPolarHBondContact CG-OD1 3.22Å; L125-N144 PolarHBondContact N-OD1 3.24Å; L125-N145 CarbonylContact O-C 3.58Å; L125-N145 VanDerWaalsContact O-CA 3.24Å; L125-N145 WeakPolarHBondContact O-CA 3.33Å; L125-N145 PolarHBondContact O-N 3.04Å; L125-I146 WeakPolarHBondContact O-CG1 3.48Å; L125-I146 PolarHBondContact O-N 2.88Å
126	E	91.4	Very high	91.8	Very high	113 Å²	113	35.9 Å²	35.9	53%	0.528	20%	0.198	S	C	.	.	S	Bend	trans	-92.3	-20.5	179.1	-73.2	164.9	-169.2	0	0	112.7	K102 N145 I146	K102-E126 IonicContact NZ-OE1 3.58Å; K102-E126 PolarHBondContact NZ-OE1 3.26Å; K102-E126 IonicContact NZ-OE2 2.66Å; K102-E126 PolarHBondContact NZ-OE2 3.09Å; E126-N145 HydrophobicContact CG-CB 4.14Å; E126-I146 WeakPolarHBondContact O-CA 3.31Å
127	E	90.3	Very high	91.8	Very high	144 Å²	144	35.2 Å²	35.2	67%	0.673	20%	0.195	S	C	*	.	S	Bend	trans	-139	161.2	179.6	63.2	-179.1	-176.3	0	0	110.7
128	I	89.8	Confident	91.9	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.072	20%	0.197	C	C	.	.			trans	-76	126.2	173.9	-63	153	0	0	0	107.9	S130 L141 I146 V149 F154	I128-S130 PolarHBondContact O-N 3.11Å; I128-L141 HydrophobicContact CG1-CD1 4.17Å; I128-L141 HydrophobicContact CG2-CD1 4.29Å; I128-I146 HydrophobicContact CD1-CG2 4.48Å; I128-I146 HydrophobicContact CG1-CD1 4.08Å; I128-I146 HydrophobicContact CG1-CG2 4.21Å; I128-V149 HydrophobicContact CD1-CG1 4.41Å; I128-V149 HydrophobicContact CD1-CG2 4.04Å; I128-F154 HydrophobicContact CD1-CE1 3.74Å; I128-F154 HydrophobicContact CD1-CE2 3.75Å; I128-F154 HydrophobicContact CD1-CZ 3.21Å; I128-F154 HydrophobicContact CG1-CE1 4.33Å; I128-F154 HydrophobicContact CG1-CZ 4.17Å; I128-F154 HydrophobicContact CG2-CD1 4.45Å; I128-F154 HydrophobicContact CG2-CE1 3.98Å
129	P	86.1	Confident	91.9	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.039	20%	0.197	C	C	.	.			trans	-59.1	126.5	-179.4	-24.1	33.6	0	0	0	112.4	M120 Y131 L132	M120-P129 HydrophobicContact CE-CG 4.41Å; P129-Y131 VanDerWaalsContact C-N 3.29Å; P129-Y131 HydrophobicContact CB-CD2 4.13Å; P129-Y131 HydrophobicContact CB-CE1 4.46Å; P129-Y131 HydrophobicContact CB-CE2 3.54Å; P129-Y131 PolarHBondContact O-N 2.74Å; P129-L132 HydrophobicContact CB-CD1 4.47Å; P129-L132 HydrophobicContact CB-CD2 4.07Å; P129-L132 HydrophobicContact CB-CG 4.08Å; P129-L132 WeakPolarHBondContact O-CG 3.49Å
130	S	79.7	Confident	91.9	Very high	94 Å²	94	34 Å²	34	66%	0.657	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.9	-176.5	59.3	0	0	0	0	114.6	I128	I128-S130 PolarHBondContact O-N 3.11Å
131	Y	79.6	Confident	92	Very high	61 Å²	61	34 Å²	34	24%	0.239	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	28.8	-174	41.2	-102.2	0	0	0	113.2	F105 A107 L109 R110 P129	F105-Y131 AromaticContact CD1-CE2 3.61Å; F105-Y131 HydrophobicContact CD1-CE2 3.61Å; F105-Y131 AromaticContact CD1-CZ 3.88Å; F105-Y131 WeakPolarHBondContact CD1-OH 3.48Å; F105-Y131 HydrophobicContact CE1-CD2 4.42Å; F105-Y131 AromaticContact CE1-CE2 3.54Å; F105-Y131 HydrophobicContact CE1-CE2 3.54Å; A107-Y131 WeakPolarHBondContact O-CD2 3.48Å; A107-Y131 VanDerWaalsContact O-CE2 3.25Å; A107-Y131 WeakPolarHBondContact O-CE2 3.43Å; L109-Y131 CarbonylContact C-O 3.45Å; L109-Y131 PolarHBondContact N-O 3.28Å; R110-Y131 PolarHBondContact N-O 2.8Å; R110-Y131 VanDerWaalsContact N-O 3.12Å; P129-Y131 VanDerWaalsContact C-N 3.29Å; P129-Y131 HydrophobicContact CB-CD2 4.13Å; P129-Y131 HydrophobicContact CB-CE1 4.46Å; P129-Y131 HydrophobicContact CB-CE2 3.54Å; P129-Y131 PolarHBondContact O-N 2.74Å
132	L	89.6	Confident	92	Very high	7 Å²	7	34 Å²	34	4%	0.037	19%	0.19	C	C	.	.			trans	-77.6	144.5	174.4	-61.7	179.6	0	0	0	111.4	L109 L118 P129 L139 L157	L109-L132 HydrophobicContact CD1-CD2 3.97Å; L118-L132 HydrophobicContact CD2-CD2 3.44Å; L118-L132 VanDerWaalsContact CD2-CD2 3.44Å; P129-L132 HydrophobicContact CB-CD1 4.47Å; P129-L132 HydrophobicContact CB-CD2 4.07Å; P129-L132 HydrophobicContact CB-CG 4.08Å; P129-L132 WeakPolarHBondContact O-CG 3.49Å; L132-L139 HydrophobicContact CD1-CD1 4.23Å; L132-L139 HydrophobicContact CD1-CD2 3.98Å; L132-L157 HydrophobicContact CB-CD1 4.43Å; L132-L157 HydrophobicContact CB-CD2 4.03Å; L132-L157 HydrophobicContact CD1-CD1 4.05Å
133	P	90.9	Very high	92	Very high	2 Å²	2	35 Å²	35	1%	0.013	20%	0.195	C	C	.	.			trans	-75.6	145.6	179.8	25.9	-25.1	0	0	0	111.7	L109 L115 S135 V136 L157	L109-P133 WeakPolarHBondContact O-CG 3.44Å; L115-P133 HydrophobicContact CB-CG 4.14Å; L115-P133 HydrophobicContact CD2-CG 3.99Å; P133-S135 PolarHBondContact O-N 3.18Å; P133-V136 HydrophobicContact CG-CG2 3.77Å; P133-V136 WeakPolarHBondContact O-CG2 3.27Å; P133-V136 PolarHBondContact O-N 3.03Å; P133-L157 VanDerWaalsContact O-CD2 3.24Å; P133-L157 WeakPolarHBondContact O-CD2 3.37Å
134	A	91.3	Very high	92.1	Very high	55 Å²	55	34.8 Å²	34.8	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10	-178.9	0	0	0	0	0	114	V136 N156 N159	A134-V136 VanDerWaalsContact C-N 3.32Å; A134-N156 WeakPolarHBondContact CB-O 3.32Å; A134-N159 PolarHBondContact O-ND2 2.99Å; A134-N159 VanDerWaalsContact O-ND2 3.08Å
135	S	94.4	Very high	92.2	Very high	22 Å²	22	37.3 Å²	37.3	15%	0.154	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16	176.7	55.2	0	0	0	0	113.7	L112 T113 L115 P133 E137	L112-S135 PolarHBondContact O-OG 3.46Å; T113-S135 WeakPolarHBondContact O-CB 3.21Å; T113-S135 PolarHBondContact O-OG 3.14Å; L115-S135 PolarHBondContact N-OG 3.13Å; L115-S135 CarbonylContact O-C 3.44Å; L115-S135 VanDerWaalsContact O-CB 3.3Å; L115-S135 WeakPolarHBondContact O-CB 3.3Å; L115-S135 PolarHBondContact O-OG 3.25Å; P133-S135 PolarHBondContact O-N 3.18Å; S135-E137 PolarHBondContact O-N 3.28Å
136	V	95.5	Very high	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.			trans	-62.6	128.8	-176	178.8	0	0	0	0	110.6	L115 L118 P133 A134 I138 L139 L157 N159 L160	L115-V136 HydrophobicContact CD2-CG2 4.42Å; L115-V136 WeakPolarHBondContact O-CA 3.19Å; L115-V136 PolarHBondContact O-N 3.33Å; L118-V136 HydrophobicContact CB-CG1 4.3Å; P133-V136 HydrophobicContact CG-CG2 3.77Å; P133-V136 WeakPolarHBondContact O-CG2 3.27Å; P133-V136 PolarHBondContact O-N 3.03Å; A134-V136 VanDerWaalsContact C-N 3.32Å; V136-I138 VanDerWaalsContact CG1-O 3.28Å; V136-I138 WeakPolarHBondContact CG1-O 3.44Å; V136-L139 HydrophobicContact CG1-CB 4.18Å; V136-L157 HydrophobicContact CB-CD2 4.31Å; V136-N159 CarbonylContact O-C 3.51Å; V136-L160 HydrophobicContact CG1-CD1 3.99Å; V136-L160 PolarHBondContact O-N 3.24Å
137	E	96.9	Very high	92.3	Very high	73 Å²	73	34 Å²	34	34%	0.341	19%	0.193	S	C	.	.			trans	-106.8	-36.3	177.3	-63.2	-178.2	-156	0	0	111.3	Q116 S135 T161 Q162	Q116-E137 HydrophobicContact CB-CG 4.48Å; Q116-E137 HydrophobicContact CG-CG 4.42Å; Q116-E137 PolarHBondContact NE2-OE1 3.13Å; Q116-E137 PolarHBondContact O-N 3.1Å; S135-E137 PolarHBondContact O-N 3.28Å; E137-T161 PolarHBondContact O-N 3.01Å; E137-T161 PolarHBondContact O-OG1 3.19Å; E137-Q162 PolarHBondContact O-N 3.18Å
138	I	97.8	Very high	92.5	Very high	43 Å²	43	31.6 Å²	31.6	22%	0.221	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.3	179.3	-57.6	176.1	0	0	0	108.8	Q116 L118 V136 Q162	Q116-I138 PolarHBondContact O-N 2.84Å; L118-I138 PolarHBondContact N-O 3.17Å; V136-I138 VanDerWaalsContact CG1-O 3.28Å; V136-I138 WeakPolarHBondContact CG1-O 3.44Å; I138-Q162 HydrophobicContact CG1-CB 4.24Å; I138-Q162 HydrophobicContact CG1-CG 4.23Å; I138-Q162 HydrophobicContact CG2-CB 4.28Å
139	L	97.4	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.7	177.9	179	60.1	0	0	0	111.1	L118 L132 V136 L141 F154 L157 L160 Q162 L163 W164	L118-L139 HydrophobicContact CB-CD1 4.34Å; L118-L139 HydrophobicContact CD2-CD1 4.09Å; L118-L139 HydrophobicContact CG-CD1 4.17Å; L118-L139 WeakPolarHBondContact O-CA 3.42Å; L132-L139 HydrophobicContact CD1-CD1 4.23Å; L132-L139 HydrophobicContact CD1-CD2 3.98Å; V136-L139 HydrophobicContact CG1-CB 4.18Å; L139-L141 HydrophobicContact CD1-CD1 4.27Å; L139-L141 HydrophobicContact CD1-CD2 4.35Å; L139-L141 HydrophobicContact CD1-CG 4.02Å; L139-L141 HydrophobicContact CD2-CD1 3.82Å; L139-L141 HydrophobicContact CD2-CG 4.42Å; L139-L141 HydrophobicContact CG-CD1 3.91Å; L139-L141 HydrophobicContact CG-CG 3.97Å; L139-F154 HydrophobicContact CD2-CE1 4.43Å; L139-L157 HydrophobicContact CD2-CD1 4Å; L139-L160 HydrophobicContact CB-CD1 3.8Å; L139-L160 HydrophobicContact CB-CD2 4.43Å; L139-L160 HydrophobicContact CD2-CD1 4.32Å; L139-Q162 PolarHBondContact N-O 3.29Å; L139-L163 HydrophobicContact CB-CD1 4.24Å; L139-L163 HydrophobicContact CD2-CD1 4.04Å; L139-L163 HydrophobicContact CG-CD1 4.18Å; L139-W164 PolarHBondContact O-N 2.9Å
140	E	97.6	Very high	92.9	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.7	173.3	-59.1	179.8	-163.4	0	0	111.4	N95 L118 K119 M120 S121 W164	N95-E140 PolarHBondContact ND2-OE2 2.89Å; L118-E140 PolarHBondContact O-N 2.64Å; K119-E140 HydrophobicContact CB-CB 4.22Å; K119-E140 HydrophobicContact CB-CG 4.48Å; K119-E140 WeakPolarHBondContact CD-OE1 3.49Å; K119-E140 WeakPolarHBondContact CE-OE1 3.5Å; K119-E140 HydrophobicContact CG-CB 4.37Å; K119-E140 HydrophobicContact CG-CG 4.12Å; K119-E140 IonicContact NZ-OE1 2.7Å; K119-E140 PolarHBondContact NZ-OE1 3.34Å; M120-E140 CarbonylContact C-O 3.48Å; M120-E140 WeakPolarHBondContact CA-O 3.41Å; M120-E140 PolarHBondContact N-O 3.31Å; S121-E140 PolarHBondContact N-O 3.29Å; E140-W164 HydrophobicContact CG-CB 4.42Å; E140-W164 HydrophobicContact CG-CD2 3.97Å; E140-W164 HydrophobicContact CG-CE3 3.87Å; E140-W164 HydrophobicContact CG-CG 4.24Å; E140-W164 HydrophobicContact CG-CZ3 4.43Å
141	L	96.2	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.			trans	-129.7	19.6	179.6	-70.1	171.4	0	0	0	111.8	M120 L125 I128 L139 N144 I146 W164 L165 N168	M120-L141 HydrophobicContact CB-CD2 4.07Å; L125-L141 HydrophobicContact CD1-CD2 3.9Å; I128-L141 HydrophobicContact CG1-CD1 4.17Å; I128-L141 HydrophobicContact CG2-CD1 4.29Å; L139-L141 HydrophobicContact CD1-CD1 4.27Å; L139-L141 HydrophobicContact CD1-CD2 4.35Å; L139-L141 HydrophobicContact CD1-CG 4.02Å; L139-L141 HydrophobicContact CD2-CD1 3.82Å; L139-L141 HydrophobicContact CD2-CG 4.42Å; L139-L141 HydrophobicContact CG-CD1 3.91Å; L139-L141 HydrophobicContact CG-CG 3.97Å; L141-N144 VanDerWaalsContact C-ND2 3.35Å; L141-N144 PolarHBondContact O-ND2 3.34Å; L141-I146 HydrophobicContact CB-CD1 4.09Å; L141-I146 HydrophobicContact CD1-CD1 4.27Å; L141-I146 HydrophobicContact CD2-CD1 4.49Å; L141-W164 CarbonylContact C-O 3.58Å; L141-W164 WeakPolarHBondContact CA-O 3.32Å; L141-W164 PolarHBondContact N-O 2.62Å; L141-L165 HydrophobicContact CB-CD2 3.77Å; L141-L165 HydrophobicContact CD1-CD2 3.92Å; L141-N168 PolarHBondContact O-ND2 3.46Å
142	S	96.1	Very high	93.7	Very high	12 Å²	12	34.6 Å²	34.6	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	153.7	-176.8	-63.2	0	0	0	0	112.5	S121 A122 N144 W164 S166	S121-S142 CarbonylContact C-O 3.47Å; S121-S142 WeakPolarHBondContact CA-O 3.47Å; S121-S142 WeakPolarHBondContact CB-O 3.3Å; S121-S142 PolarHBondContact OG-N 2.81Å; A122-S142 PolarHBondContact N-O 3.24Å; S142-N144 VanDerWaalsContact C-N 3.26Å; S142-N144 PolarHBondContact O-N 2.89Å; S142-W164 PolarHBondContact N-O 3.47Å; S142-S166 CarbonylContact C-O 3.56Å; S142-S166 WeakPolarHBondContact CA-O 3.42Å; S142-S166 WeakPolarHBondContact CB-O 3.32Å; S142-S166 PolarHBondContact OG-N 3.44Å; S142-S166 PolarHBondContact OG-OG 2.83Å
143	S	94.8	Very high	93.6	Very high	41 Å²	41	35.6 Å²	35.6	29%	0.287	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	31.4	178.7	-50.3	0	0	0	0	114.7	A122 S166 K167	A122-S143 VanDerWaalsContact CA-O 3.29Å; A122-S143 WeakPolarHBondContact CA-O 3.5Å; S143-S166 PolarHBondContact N-O 2.79Å; S143-K167 WeakPolarHBondContact CA-O 3.46Å
144	N	94.7	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-97	-164.8	170.3	-78.1	-64.4	0	0	0	110.7	M120 N123 G124 L125 L141 S142 I146 N168 N173	M120-N144 PolarHBondContact O-ND2 2.99Å; N123-N144 WeakPolarHBondContact CA-OD1 3.36Å; N123-N144 PolarHBondContact N-OD1 2.98Å; G124-N144 PolarHBondContact N-OD1 3.05Å; L125-N144 HydrophobicContact CB-CB 4.06Å; L125-N144 WeakPolarHBondContact CG-OD1 3.22Å; L125-N144 PolarHBondContact N-OD1 3.24Å; L141-N144 VanDerWaalsContact C-ND2 3.35Å; L141-N144 PolarHBondContact O-ND2 3.34Å; S142-N144 VanDerWaalsContact C-N 3.26Å; S142-N144 PolarHBondContact O-N 2.89Å; N144-I146 HydrophobicContact CB-CD1 4.21Å; N144-I146 HydrophobicContact CB-CG1 4.1Å; N144-N168 VanDerWaalsContact CA-OD1 3.25Å; N144-N168 WeakPolarHBondContact CA-OD1 3.41Å; N144-N168 WeakPolarHBondContact CB-OD1 3.39Å; N144-N168 PolarHBondContact N-OD1 3.03Å; N144-N168 WeakPolarHBondContact O-CA 3.03Å; N144-N168 PolarHBondContact O-OD1 2.96Å; N144-N168 VanDerWaalsContact O-OD1 3.12Å; N144-N173 PolarHBondContact O-ND2 2.84Å
145	N	93.9	Very high	93.1	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.342	20%	0.198	S	C	.	.			trans	-114.2	30.1	-179.6	-64.5	30.8	0	0	0	110.9	L125 E126 T147 N168	L125-N145 CarbonylContact O-C 3.58Å; L125-N145 VanDerWaalsContact O-CA 3.24Å; L125-N145 WeakPolarHBondContact O-CA 3.33Å; L125-N145 PolarHBondContact O-N 3.04Å; E126-N145 HydrophobicContact CG-CB 4.14Å; N145-T147 PolarHBondContact O-N 3.27Å; N145-N168 PolarHBondContact N-OD1 3.22Å
146	I	94.2	Very high	92.5	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.213	C	C	.	.			trans	-75.6	114.5	-175.2	-57.9	168.8	0	0	0	109.1	L125 E126 I128 L141 N144 V149 L165 N168 V179	L125-I146 WeakPolarHBondContact O-CG1 3.48Å; L125-I146 PolarHBondContact O-N 2.88Å; E126-I146 WeakPolarHBondContact O-CA 3.31Å; I128-I146 HydrophobicContact CD1-CG2 4.48Å; I128-I146 HydrophobicContact CG1-CD1 4.08Å; I128-I146 HydrophobicContact CG1-CG2 4.21Å; L141-I146 HydrophobicContact CB-CD1 4.09Å; L141-I146 HydrophobicContact CD1-CD1 4.27Å; L141-I146 HydrophobicContact CD2-CD1 4.49Å; N144-I146 HydrophobicContact CB-CD1 4.21Å; N144-I146 HydrophobicContact CB-CG1 4.1Å; I146-V149 HydrophobicContact CG2-CG2 4.33Å; I146-L165 HydrophobicContact CD1-CD2 4.25Å; I146-N168 WeakPolarHBondContact CB-OD1 3.47Å; I146-N168 PolarHBondContact N-OD1 3.45Å; I146-N168 WeakPolarHBondContact O-CB 3.47Å; I146-V179 WeakPolarHBondContact O-CG2 3.38Å
147	T	92.6	Very high	92.3	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.35	21%	0.214	S	C	.	.			trans	-111	-13.6	-175.4	55.2	0	0	0	0	114.6	N145 C175 V179 K180	N145-T147 PolarHBondContact O-N 3.27Å; T147-C175 HydrophobicContact CG2-CB 3.92Å; T147-V179 CarbonylContact O-C 3.37Å; T147-V179 WeakPolarHBondContact O-CA 3.35Å; T147-K180 PolarHBondContact O-N 3.48Å
148	N	92.9	Very high	91.9	Very high	95 Å²	95	42.6 Å²	42.6	51%	0.508	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.7	-177.6	-165.8	17.2	0	0	0	110.9	K180	N148-K180 WeakPolarHBondContact CA-O 3.42Å
149	V	94.1	Very high	91.8	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.3	176.1	178.9	0	0	0	0	107.8	I128 I146 F154 K180 I181 Q182 F186	I128-V149 HydrophobicContact CD1-CG1 4.41Å; I128-V149 HydrophobicContact CD1-CG2 4.04Å; I146-V149 HydrophobicContact CG2-CG2 4.33Å; V149-F154 HydrophobicContact CG1-CD2 4.2Å; V149-F154 HydrophobicContact CG1-CE2 3.54Å; V149-F154 HydrophobicContact CG1-CZ 4.46Å; V149-K180 PolarHBondContact N-O 2.96Å; V149-I181 HydrophobicContact CB-CG1 4.19Å; V149-I181 HydrophobicContact CB-CG2 4.38Å; V149-I181 HydrophobicContact CG1-CG2 4.38Å; V149-I181 HydrophobicContact CG2-CG1 4.43Å; V149-I181 WeakPolarHBondContact O-CA 3.29Å; V149-Q182 PolarHBondContact O-N 2.62Å; V149-F186 HydrophobicContact CG1-CE1 4.41Å
150	N	91.6	Very high	91.7	Very high	48 Å²	48	43.3 Å²	43.3	26%	0.257	23%	0.233	S	C	.	.			trans	-119.3	177.8	-179.1	68.3	8.7	0	0	0	111.3	T152 S153 S185	N150-T152 PolarHBondContact ND2-OG1 2.76Å; N150-T152 PolarHBondContact O-N 2.69Å; N150-T152 PolarHBondContact OD1-N 2.93Å; N150-T152 PolarHBondContact OD1-OG1 2.99Å; N150-S153 PolarHBondContact N-OG 2.71Å; N150-S153 VanDerWaalsContact O-CB 3.32Å; N150-S153 WeakPolarHBondContact O-CB 2.94Å; N150-S153 PolarHBondContact O-N 2.94Å; N150-S153 VanDerWaalsContact O-N 3.16Å; N150-S153 PolarHBondContact O-OG 2.81Å; N150-S153 PolarHBondContact OD1-N 3.21Å; N150-S153 PolarHBondContact OD1-OG 3.38Å; N150-S185 VanDerWaalsContact C-OG 3.31Å
151	Q	87.4	Confident	91.7	Very high	81 Å²	81	43.9 Å²	43.9	38%	0.379	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.7	-179.3	-67.2	176.2	-6.5	0	0	114	N183	Q151-N183 PolarHBondContact NE2-O 3Å
152	T	87.3	Confident	91.8	Very high	106 Å²	106	46.5 Å²	46.5	65%	0.65	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-15.9	178.4	58.1	0	0	0	0	113.5	N150 F154 A155	N150-T152 PolarHBondContact ND2-OG1 2.76Å; N150-T152 PolarHBondContact O-N 2.69Å; N150-T152 PolarHBondContact OD1-N 2.93Å; N150-T152 PolarHBondContact OD1-OG1 2.99Å; T152-F154 VanDerWaalsContact C-N 3.26Å; T152-F154 PolarHBondContact O-N 3.44Å; T152-A155 PolarHBondContact O-N 3.38Å
153	S	88.3	Confident	91.9	Very high	28 Å²	28	45.9 Å²	45.9	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35	-175.2	-64.1	0	0	0	0	113.2	N150	N150-S153 PolarHBondContact N-OG 2.71Å; N150-S153 VanDerWaalsContact O-CB 3.32Å; N150-S153 WeakPolarHBondContact O-CB 2.94Å; N150-S153 PolarHBondContact O-N 2.94Å; N150-S153 VanDerWaalsContact O-N 3.16Å; N150-S153 PolarHBondContact O-OG 2.81Å; N150-S153 PolarHBondContact OD1-N 3.21Å; N150-S153 PolarHBondContact OD1-OG 3.38Å
154	F	88.8	Confident	92	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.013	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	11.3	-177.7	-58.9	-68.4	0	0	0	113.8	I128 L139 V149 T152 N156 L157 L163 L165 F186 M189	I128-F154 HydrophobicContact CD1-CE1 3.74Å; I128-F154 HydrophobicContact CD1-CE2 3.75Å; I128-F154 HydrophobicContact CD1-CZ 3.21Å; I128-F154 HydrophobicContact CG1-CE1 4.33Å; I128-F154 HydrophobicContact CG1-CZ 4.17Å; I128-F154 HydrophobicContact CG2-CD1 4.45Å; I128-F154 HydrophobicContact CG2-CE1 3.98Å; L139-F154 HydrophobicContact CD2-CE1 4.43Å; V149-F154 HydrophobicContact CG1-CD2 4.2Å; V149-F154 HydrophobicContact CG1-CE2 3.54Å; V149-F154 HydrophobicContact CG1-CZ 4.46Å; T152-F154 VanDerWaalsContact C-N 3.26Å; T152-F154 PolarHBondContact O-N 3.44Å; F154-N156 PolarHBondContact O-N 3.23Å; F154-L157 HydrophobicContact CD1-CD1 4.02Å; F154-L157 PolarHBondContact O-N 3.15Å; F154-L163 HydrophobicContact CE1-CD1 4.08Å; F154-L163 HydrophobicContact CE1-CD2 4.07Å; F154-L163 HydrophobicContact CE2-CD2 4.18Å; F154-L163 HydrophobicContact CZ-CD1 4.33Å; F154-L163 HydrophobicContact CZ-CD2 3.84Å; F154-L165 HydrophobicContact CE2-CD1 4.4Å; F154-L165 HydrophobicContact CZ-CD1 3.87Å; F154-F186 HydrophobicContact CD2-CD1 4.19Å; F154-F186 HydrophobicContact CD2-CE1 4.23Å; F154-F186 HydrophobicContact CE2-CD1 4.17Å; F154-F186 AromaticContact CE2-CE1 3.75Å; F154-F186 HydrophobicContact CE2-CE1 3.75Å; F154-M189 HydrophobicContact CB-CE 4.23Å; F154-M189 HydrophobicContact CB-SD 4.05Å; F154-M189 HydrophobicContact CD2-CE 4.16Å; F154-M189 HydrophobicContact CG-CE 4.17Å; F154-M189 HydrophobicContact CG-SD 4.25Å
155	A	82.1	Confident	92.1	Very high	33 Å²	33	48.8 Å²	48.8	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.7	-168.1	0	0	0	0	0	114.7	T152	T152-A155 PolarHBondContact O-N 3.38Å
156	N	82.8	Confident	92.2	Very high	86 Å²	86	46.1 Å²	46.1	46%	0.46	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.8	-178.4	-64	-32	0	0	0	114.3	A134 F154 R158	A134-N156 WeakPolarHBondContact CB-O 3.32Å; F154-N156 PolarHBondContact O-N 3.23Å; N156-R158 PolarHBondContact O-N 3.46Å
157	L	90.3	Very high	92.3	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	24%	0.242	C	C	.	.			trans	-101.6	59.1	-170.2	-65	174.3	0	0	0	112.4	L132 P133 V136 L139 F154 N159 L160	L132-L157 HydrophobicContact CB-CD1 4.43Å; L132-L157 HydrophobicContact CB-CD2 4.03Å; L132-L157 HydrophobicContact CD1-CD1 4.05Å; P133-L157 VanDerWaalsContact O-CD2 3.24Å; P133-L157 WeakPolarHBondContact O-CD2 3.37Å; V136-L157 HydrophobicContact CB-CD2 4.31Å; L139-L157 HydrophobicContact CD2-CD1 4Å; F154-L157 HydrophobicContact CD1-CD1 4.02Å; F154-L157 PolarHBondContact O-N 3.15Å; L157-N159 VanDerWaalsContact C-N 3.31Å; L157-N159 PolarHBondContact O-N 2.61Å; L157-L160 HydrophobicContact CB-CD1 4.24Å; L157-L160 HydrophobicContact CD1-CD1 4.38Å
158	R	89.9	Confident	92.4	Very high	171 Å²	171	44.8 Å²	44.8	65%	0.645	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.6	-174.7	-61	-176.9	-175.4	-175.2	0.4	114.5	N156	N156-R158 PolarHBondContact O-N 3.46Å
159	N	94.1	Very high	92.5	Very high	58 Å²	58	40.5 Å²	40.5	31%	0.31	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.3	-178.6	-71.6	-32.2	0	0	0	113.9	A134 V136 L157 T161 K191	A134-N159 PolarHBondContact O-ND2 2.99Å; A134-N159 VanDerWaalsContact O-ND2 3.08Å; V136-N159 CarbonylContact O-C 3.51Å; L157-N159 VanDerWaalsContact C-N 3.31Å; L157-N159 PolarHBondContact O-N 2.61Å; N159-T161 PolarHBondContact O-N 2.94Å; N159-K191 PolarHBondContact OD1-NZ 3.14Å
160	L	96.1	Very high	92.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.			trans	-61.4	129.6	-177.2	-141.2	98.3	0	0	0	111.3	V136 L139 L157 Q162 L163 M189 K191 L192	V136-L160 HydrophobicContact CG1-CD1 3.99Å; V136-L160 PolarHBondContact O-N 3.24Å; L139-L160 HydrophobicContact CB-CD1 3.8Å; L139-L160 HydrophobicContact CB-CD2 4.43Å; L139-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 HydrophobicContact CB-CD1 4.24Å; L157-L160 HydrophobicContact CD1-CD1 4.38Å; L160-Q162 WeakPolarHBondContact CD2-O 3.17Å; L160-L163 HydrophobicContact CD2-CB 3.52Å; L160-L163 HydrophobicContact CD2-CD1 4Å; L160-L163 HydrophobicContact CD2-CD2 4.28Å; L160-L163 HydrophobicContact CD2-CG 4.13Å; L160-M189 HydrophobicContact CB-SD 4.05Å; L160-M189 HydrophobicContact CD2-SD 3.94Å; L160-K191 CarbonylContact O-C 2.97Å; L160-K191 VanDerWaalsContact O-C 3.22Å; L160-L192 HydrophobicContact CB-CD1 4.46Å; L160-L192 HydrophobicContact CD2-CD1 3.79Å; L160-L192 VanDerWaalsContact O-CA 3.28Å; L160-L192 WeakPolarHBondContact O-CA 3.45Å; L160-L192 PolarHBondContact O-N 3.16Å; L160-L192 VanDerWaalsContact O-N 3.16Å
161	T	97.7	Very high	92.3	Very high	29 Å²	29	44 Å²	44	18%	0.178	21%	0.214	C	C	.	.			trans	-110	-29	174.3	66	0	0	0	0	111.5	E137 N159 K193 N194	E137-T161 PolarHBondContact O-N 3.01Å; E137-T161 PolarHBondContact O-OG1 3.19Å; N159-T161 PolarHBondContact O-N 2.94Å; T161-K193 WeakPolarHBondContact O-CA 3.43Å; T161-K193 PolarHBondContact O-N 2.71Å; T161-N194 PolarHBondContact O-N 3.32Å
162	Q	98.3	Very high	92.4	Very high	54 Å²	54	46.2 Å²	46.2	25%	0.252	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.4	178.4	-51.3	-170.7	30.3	0	0	112	E137 I138 L139 L160 N194	E137-Q162 PolarHBondContact O-N 3.18Å; I138-Q162 HydrophobicContact CG1-CB 4.24Å; I138-Q162 HydrophobicContact CG1-CG 4.23Å; I138-Q162 HydrophobicContact CG2-CB 4.28Å; L139-Q162 PolarHBondContact N-O 3.29Å; L160-Q162 WeakPolarHBondContact CD2-O 3.17Å; Q162-N194 WeakPolarHBondContact CA-O 3.11Å; Q162-N194 HydrophobicContact CB-CB 4.24Å; Q162-N194 HydrophobicContact CG-CB 4.06Å
163	L	97.8	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	116.3	178.3	-175.6	52.8	0	0	0	111.4	L139 F154 L160 L165 F186 M189 L192 N194 L195 D196	L139-L163 HydrophobicContact CB-CD1 4.24Å; L139-L163 HydrophobicContact CD2-CD1 4.04Å; L139-L163 HydrophobicContact CG-CD1 4.18Å; F154-L163 HydrophobicContact CE1-CD1 4.08Å; F154-L163 HydrophobicContact CE1-CD2 4.07Å; F154-L163 HydrophobicContact CE2-CD2 4.18Å; F154-L163 HydrophobicContact CZ-CD1 4.33Å; F154-L163 HydrophobicContact CZ-CD2 3.84Å; L160-L163 HydrophobicContact CD2-CB 3.52Å; L160-L163 HydrophobicContact CD2-CD1 4Å; L160-L163 HydrophobicContact CD2-CD2 4.28Å; L160-L163 HydrophobicContact CD2-CG 4.13Å; L163-L165 HydrophobicContact CD1-CD1 4.09Å; L163-L165 HydrophobicContact CD1-CG 3.99Å; L163-L165 HydrophobicContact CD2-CD1 3.72Å; L163-L165 HydrophobicContact CD2-CG 4.47Å; L163-L165 HydrophobicContact CG-CD1 3.78Å; L163-L165 HydrophobicContact CG-CG 4Å; L163-F186 HydrophobicContact CD2-CD1 4.36Å; L163-F186 HydrophobicContact CD2-CE1 4.09Å; L163-M189 HydrophobicContact CD2-CE 4Å; L163-M189 HydrophobicContact CD2-SD 4.45Å; L163-L192 HydrophobicContact CB-CD1 3.91Å; L163-N194 PolarHBondContact N-O 3.03Å; L163-L195 HydrophobicContact CB-CD1 3.99Å; L163-L195 HydrophobicContact CD2-CD1 3.92Å; L163-L195 HydrophobicContact CG-CD1 4.05Å; L163-D196 PolarHBondContact O-N 3.32Å
164	W	97.9	Very high	92.7	Very high	97 Å²	97	46.1 Å²	46.1	37%	0.367	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111	179.9	-55.9	15.4	0	0	0	109.1	L139 E140 L141 S142	L139-W164 PolarHBondContact O-N 2.9Å; E140-W164 HydrophobicContact CG-CB 4.42Å; E140-W164 HydrophobicContact CG-CD2 3.97Å; E140-W164 HydrophobicContact CG-CE3 3.87Å; E140-W164 HydrophobicContact CG-CG 4.24Å; E140-W164 HydrophobicContact CG-CZ3 4.43Å; L141-W164 CarbonylContact C-O 3.58Å; L141-W164 WeakPolarHBondContact CA-O 3.32Å; L141-W164 PolarHBondContact N-O 2.62Å; S142-W164 PolarHBondContact N-O 3.47Å
165	L	96.4	Very high	92.8	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	23%	0.229	C	C	.	.			trans	-123.7	21.3	-176.2	-79.2	167.2	0	0	0	111.8	L141 I146 F154 L163 N168 F186 D196 L197 N200	L141-L165 HydrophobicContact CB-CD2 3.77Å; L141-L165 HydrophobicContact CD1-CD2 3.92Å; I146-L165 HydrophobicContact CD1-CD2 4.25Å; F154-L165 HydrophobicContact CE2-CD1 4.4Å; F154-L165 HydrophobicContact CZ-CD1 3.87Å; L163-L165 HydrophobicContact CD1-CD1 4.09Å; L163-L165 HydrophobicContact CD1-CG 3.99Å; L163-L165 HydrophobicContact CD2-CD1 3.72Å; L163-L165 HydrophobicContact CD2-CG 4.47Å; L163-L165 HydrophobicContact CG-CD1 3.78Å; L163-L165 HydrophobicContact CG-CG 4Å; L165-N168 PolarHBondContact O-ND2 3.13Å; L165-F186 HydrophobicContact CD1-CE1 4.44Å; L165-D196 CarbonylContact C-O 3.6Å; L165-D196 WeakPolarHBondContact CA-O 3.4Å; L165-D196 PolarHBondContact N-O 3.46Å; L165-L197 HydrophobicContact CB-CD2 3.99Å; L165-L197 HydrophobicContact CD1-CD2 4.05Å; L165-N200 PolarHBondContact O-ND2 3.19Å; L165-N200 PolarHBondContact O-OD1 3.45Å
166	S	96.3	Very high	93	Very high	8 Å²	8	50 Å²	50	6%	0.056	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	161.2	-174.8	47.3	0	0	0	0	114	S142 S143 N168 D196 S198	S142-S166 CarbonylContact C-O 3.56Å; S142-S166 WeakPolarHBondContact CA-O 3.42Å; S142-S166 WeakPolarHBondContact CB-O 3.32Å; S142-S166 PolarHBondContact OG-N 3.44Å; S142-S166 PolarHBondContact OG-OG 2.83Å; S143-S166 PolarHBondContact N-O 2.79Å; S166-N168 VanDerWaalsContact C-N 3.26Å; S166-N168 PolarHBondContact O-N 2.77Å; S166-N168 PolarHBondContact O-ND2 3.48Å; S166-D196 WeakPolarHBondContact CB-OD2 3.38Å; S166-D196 PolarHBondContact N-O 3.1Å; S166-D196 PolarHBondContact OG-OD2 2.96Å; S166-S198 CarbonylContact C-O 3.34Å; S166-S198 WeakPolarHBondContact CA-O 3.47Å; S166-S198 WeakPolarHBondContact CB-O 3.5Å; S166-S198 WeakPolarHBondContact CB-OG 3.34Å
167	K	95.3	Very high	93.2	Very high	28 Å²	28	53.3 Å²	53.3	12%	0.122	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	23.1	172.7	-57.7	178.9	-178.1	178.2	0	115.1	S143 C169 Y170 N173 S198 Y199 K451 D452	S143-K167 WeakPolarHBondContact CA-O 3.46Å; K167-C169 VanDerWaalsContact C-N 3.32Å; K167-Y170 HydrophobicContact CB-CD1 4.18Å; K167-Y170 HydrophobicContact CB-CE1 3.84Å; K167-Y170 HydrophobicContact CG-CE1 4.29Å; K167-N173 PolarHBondContact O-ND2 2.8Å; K167-S198 PolarHBondContact N-O 3.28Å; K167-Y199 CarbonylContact C-O 3.17Å; K167-Y199 VanDerWaalsContact CA-O 3.22Å; K167-Y199 WeakPolarHBondContact CA-O 3.48Å; K167-Y199 HydrophobicContact CG-CD2 4.13Å; K167-Y199 HydrophobicContact CG-CG 4.13Å; K167-Y199 PolarHBondContact N-O 3.48Å; K167-K451 PolarHBondContact NZ-O 2.84Å; K167-D452 WeakPolarHBondContact CE-OD1 3.36Å; K167-D452 IonicContact NZ-OD1 3.94Å; K167-D452 PolarHBondContact NZ-OD1 2.81Å; K167-D452 IonicContact NZ-OD2 3.23Å; K167-D452 PolarHBondContact NZ-OD2 2.6Å
168	N	95.4	Very high	93	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.011	28%	0.281	C	S	.	.	S	Bend	trans	-79.7	-16.5	173.6	-75.9	-88.2	0	0	0	112.8	L141 N144 N145 I146 L165 S166 V179 Y199 N200	L141-N168 PolarHBondContact O-ND2 3.46Å; N144-N168 VanDerWaalsContact CA-OD1 3.25Å; N144-N168 WeakPolarHBondContact CA-OD1 3.41Å; N144-N168 WeakPolarHBondContact CB-OD1 3.39Å; N144-N168 PolarHBondContact N-OD1 3.03Å; N144-N168 WeakPolarHBondContact O-CA 3.03Å; N144-N168 PolarHBondContact O-OD1 2.96Å; N144-N168 VanDerWaalsContact O-OD1 3.12Å; N145-N168 PolarHBondContact N-OD1 3.22Å; I146-N168 WeakPolarHBondContact CB-OD1 3.47Å; I146-N168 PolarHBondContact N-OD1 3.45Å; I146-N168 WeakPolarHBondContact O-CB 3.47Å; L165-N168 PolarHBondContact O-ND2 3.13Å; S166-N168 VanDerWaalsContact C-N 3.26Å; S166-N168 PolarHBondContact O-N 2.77Å; S166-N168 PolarHBondContact O-ND2 3.48Å; N168-V179 HydrophobicContact CB-CG2 4.43Å; N168-Y199 PolarHBondContact N-O 2.96Å; N168-N200 VanDerWaalsContact CB-OD1 3.29Å; N168-N200 WeakPolarHBondContact CB-OD1 3.46Å; N168-N200 PolarHBondContact N-OD1 3.07Å
169	C	94.5	Very high	93.2	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.041	25%	0.253	C	S	.	.	S	Bend	trans	-154.7	105.7	171.6	-167.2	0	0	0	0	113.8	K167 N173 C175 V179 Y199 N200 N201	K167-C169 VanDerWaalsContact C-N 3.32Å; C169-N173 WeakPolarHBondContact CA-O 3.06Å; C169-C175 HydrophobicContact CB-CB 3.79Å; C169-C175 WeakPolarHBondContact CB-SG 3.24Å; C169-C175 WeakPolarHBondContact SG-CB 3.47Å; C169-C175 CovalentContact SG-SG 2.01Å; C169-C175 PolarHBondContact SG-SG 2.97Å; C169-V179 HydrophobicContact CB-CG2 3.79Å; C169-Y199 CarbonylContact C-O 3.25Å; C169-Y199 VanDerWaalsContact C-O 3.31Å; C169-Y199 PolarHBondContact N-O 2.82Å; C169-Y199 CarbonylContact O-C 3.5Å; C169-N200 CarbonylContact O-C 2.95Å; C169-N200 WeakPolarHBondContact O-CA 3.2Å; C169-N201 HydrophobicContact CB-CB 4.19Å; C169-N201 PolarHBondContact O-N 3.16Å
170	Y	92.4	Very high	93.2	Very high	45 Å²	45	51.8 Å²	51.8	18%	0.176	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-160	-173.8	176.9	77.4	-62.3	0	0	0	110.9	K167 W172 N173 P174 Y199	K167-Y170 HydrophobicContact CB-CD1 4.18Å; K167-Y170 HydrophobicContact CB-CE1 3.84Å; K167-Y170 HydrophobicContact CG-CE1 4.29Å; Y170-W172 HydrophobicContact CD2-CB 4.47Å; Y170-W172 HydrophobicContact CE1-CB 4.22Å; Y170-W172 HydrophobicContact CE2-CB 3.67Å; Y170-W172 HydrophobicContact CE2-CD2 4.07Å; Y170-W172 AromaticContact CE2-CE3 3.55Å; Y170-W172 HydrophobicContact CE2-CE3 3.55Å; Y170-W172 HydrophobicContact CE2-CG 4.16Å; Y170-W172 HydrophobicContact CE2-CZ3 4.47Å; Y170-W172 AromaticContact CZ-CE3 3.95Å; Y170-W172 PolarHBondContact O-N 3.26Å; Y170-W172 WeakPolarHBondContact OH-CB 3.32Å; Y170-N173 HydrophobicContact CD1-CB 3.68Å; Y170-N173 HydrophobicContact CE1-CB 3.44Å; Y170-N173 VanDerWaalsContact CE1-CB 3.44Å; Y170-N173 PolarHBondContact N-O 3.33Å; Y170-N173 CarbonylContact O-C 3.42Å; Y170-N173 PolarHBondContact O-N 2.9Å; Y170-P174 WeakPolarHBondContact O-CA 3.49Å; Y170-P174 VanDerWaalsContact O-N 3.13Å; Y170-Y199 AromaticContact CD2-CD1 3.77Å; Y170-Y199 HydrophobicContact CD2-CD1 3.77Å; Y170-Y199 HydrophobicContact CD2-CE1 4.35Å; Y170-Y199 HydrophobicContact CE2-CD1 4.5Å; Y170-Y199 HydrophobicContact CG-CD1 4.06Å
171	Y	88.4	Confident	93.1	Very high	78 Å²	78	53 Å²	53	31%	0.306	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.6	-170.3	69.3	-86.1	0	0	0	115.2	F254 P255	Y171-F254 HydrophobicContact CE1-CB 4.43Å; Y171-F254 HydrophobicContact CE2-CB 4.16Å; Y171-P255 HydrophobicContact CD2-CG 4.24Å
172	W	89.9	Confident	92.9	Very high	128 Å²	128	56.3 Å²	56.3	49%	0.485	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.7	173.1	-71.3	-40.2	0	0	0	113.6	Y170 K451	Y170-W172 HydrophobicContact CD2-CB 4.47Å; Y170-W172 HydrophobicContact CE1-CB 4.22Å; Y170-W172 HydrophobicContact CE2-CB 3.67Å; Y170-W172 HydrophobicContact CE2-CD2 4.07Å; Y170-W172 AromaticContact CE2-CE3 3.55Å; Y170-W172 HydrophobicContact CE2-CE3 3.55Å; Y170-W172 HydrophobicContact CE2-CG 4.16Å; Y170-W172 HydrophobicContact CE2-CZ3 4.47Å; Y170-W172 AromaticContact CZ-CE3 3.95Å; Y170-W172 PolarHBondContact O-N 3.26Å; Y170-W172 WeakPolarHBondContact OH-CB 3.32Å; W172-K451 HydrophobicContact CH2-CG 4.17Å; W172-K451 HydrophobicContact CZ3-CG 3.97Å
173	N	91.1	Very high	92.5	Very high	30 Å²	30	58 Å²	58	16%	0.16	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-136.7	73.1	174.5	-175.2	22.6	0	0	0	109.6	N144 K167 C169 Y170	N144-N173 PolarHBondContact O-ND2 2.84Å; K167-N173 PolarHBondContact O-ND2 2.8Å; C169-N173 WeakPolarHBondContact CA-O 3.06Å; Y170-N173 HydrophobicContact CD1-CB 3.68Å; Y170-N173 HydrophobicContact CE1-CB 3.44Å; Y170-N173 VanDerWaalsContact CE1-CB 3.44Å; Y170-N173 PolarHBondContact N-O 3.33Å; Y170-N173 CarbonylContact O-C 3.42Å; Y170-N173 PolarHBondContact O-N 2.9Å
174	P	91.3	Very high	92.2	Very high	102 Å²	102	61.5 Å²	61.5	66%	0.662	32%	0.317	S	S	*	.			trans	-74.8	135.3	-173	29.7	-34.6	0	0	0	111	Y170	Y170-P174 WeakPolarHBondContact O-CA 3.49Å; Y170-P174 VanDerWaalsContact O-N 3.13Å
175	C	90.4	Very high	92	Very high	36 Å²	36	57 Å²	57	24%	0.243	30%	0.3	C	S	.	.			trans	-116.6	1.8	-177.5	75.4	0	0	0	0	114	T147 C169 K177	T147-C175 HydrophobicContact CG2-CB 3.92Å; C169-C175 HydrophobicContact CB-CB 3.79Å; C169-C175 WeakPolarHBondContact CB-SG 3.24Å; C169-C175 WeakPolarHBondContact SG-CB 3.47Å; C169-C175 CovalentContact SG-SG 2.01Å; C169-C175 PolarHBondContact SG-SG 2.97Å; C175-K177 PolarHBondContact O-N 3.05Å; C175-K177 PolarHBondContact SG-O 2.82Å
176	G	87.5	Confident	91.8	Very high	82 Å²	82	56.8 Å²	56.8	85%	0.845	30%	0.299	S	S	*	.	S	Bend	trans	71.6	-30.7	178.2	0	0	0	0	0	116.2
177	K	86.4	Confident	91.4	Very high	155 Å²	155	59.1 Å²	59.1	67%	0.674	31%	0.313	S	S	*	.	S	Bend	trans	-137	139	177.4	-66.4	178.6	-177.8	174.1	0	110.1	C175	C175-K177 PolarHBondContact O-N 3.05Å; C175-K177 PolarHBondContact SG-O 2.82Å
178	P	86.9	Confident	91	Very high	52 Å²	52	62.4 Å²	62.4	34%	0.338	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-56.9	149.3	-177.9	28	-36.7	0	0	0	112.3	K180 N201	P178-K180 PolarHBondContact O-N 2.92Å; P178-N201 HydrophobicContact CB-CB 4.43Å; P178-N201 WeakPolarHBondContact CB-O 2.99Å
179	V	92.9	Very high	90.8	Very high	11 Å²	11	62.3 Å²	62.3	7%	0.067	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-61.5	125.1	175.3	179.9	0	0	0	0	108.5	I146 T147 N168 C169 I181 N200 L202	I146-V179 WeakPolarHBondContact O-CG2 3.38Å; T147-V179 CarbonylContact O-C 3.37Å; T147-V179 WeakPolarHBondContact O-CA 3.35Å; N168-V179 HydrophobicContact CB-CG2 4.43Å; C169-V179 HydrophobicContact CB-CG2 3.79Å; V179-I181 HydrophobicContact CG1-CG1 4.28Å; V179-N200 HydrophobicContact CB-CB 4.22Å; V179-N200 WeakPolarHBondContact CB-O 3.47Å; V179-N200 HydrophobicContact CG2-CB 3.99Å; V179-N200 VanDerWaalsContact CG2-O 3.31Å; V179-N200 WeakPolarHBondContact CG2-O 3.35Å; V179-N200 PolarHBondContact N-O 3.38Å; V179-L202 HydrophobicContact CB-CD2 4.1Å; V179-L202 WeakPolarHBondContact O-CD2 3.4Å
180	K	93.6	Very high	90.7	Very high	139 Å²	139	66.7 Å²	66.7	60%	0.604	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.7	178.7	-67.1	-172.5	178.8	-173.7	0	109.5	T147 N148 V149 P178	T147-K180 PolarHBondContact O-N 3.48Å; N148-K180 WeakPolarHBondContact CA-O 3.42Å; V149-K180 PolarHBondContact N-O 2.96Å; P178-K180 PolarHBondContact O-N 2.92Å
181	I	94.9	Very high	90.9	Very high	27 Å²	27	69.8 Å²	69.8	14%	0.138	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.7	173.7	-56.3	176.3	0	0	0	107.6	V149 V179 F186 L197 L202 P206	V149-I181 HydrophobicContact CB-CG1 4.19Å; V149-I181 HydrophobicContact CB-CG2 4.38Å; V149-I181 HydrophobicContact CG1-CG2 4.38Å; V149-I181 HydrophobicContact CG2-CG1 4.43Å; V149-I181 WeakPolarHBondContact O-CA 3.29Å; V179-I181 HydrophobicContact CG1-CG1 4.28Å; I181-F186 HydrophobicContact CD1-CZ 4.27Å; I181-F186 HydrophobicContact CG2-CE2 3.7Å; I181-F186 HydrophobicContact CG2-CZ 3.89Å; I181-L197 HydrophobicContact CD1-CD1 4.17Å; I181-L197 HydrophobicContact CD1-CD2 4.01Å; I181-L202 HydrophobicContact CD1-CD1 4.14Å; I181-L202 HydrophobicContact CD1-CD2 3.83Å; I181-L202 HydrophobicContact CG1-CD2 4.21Å; I181-P206 HydrophobicContact CB-CB 4.46Å; I181-P206 HydrophobicContact CB-CG 4.29Å; I181-P206 HydrophobicContact CD1-CG 3.81Å; I181-P206 HydrophobicContact CG2-CB 3.95Å; I181-P206 HydrophobicContact CG2-CG 4.14Å
182	Q	93.8	Very high	91.3	Very high	97 Å²	97	66 Å²	66	45%	0.453	35%	0.354	S	S	.	.			trans	-69.2	146.2	177.2	-171.8	-178.3	2.6	0	0	110.4	V149 N184 S185	V149-Q182 PolarHBondContact O-N 2.62Å; Q182-N184 PolarHBondContact O-N 3.18Å; Q182-S185 WeakPolarHBondContact O-CB 3.46Å; Q182-S185 PolarHBondContact O-N 3.28Å; Q182-S185 PolarHBondContact O-OG 3.25Å
183	N	90.4	Very high	91.7	Very high	91 Å²	91	64.3 Å²	64.3	49%	0.487	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	141.6	174.8	-66.4	-6.9	0	0	0	111.3	Q151 S185 K207	Q151-N183 PolarHBondContact NE2-O 3Å; N183-S185 PolarHBondContact O-N 3.26Å; N183-K207 HydrophobicContact CB-CB 4.37Å
184	N	90.7	Very high	92	Very high	72 Å²	72	65.1 Å²	65.1	39%	0.385	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	12.2	179.4	-53.8	-35.7	0	0	0	115.6	Q182 F186 T187 K207 G208	Q182-N184 PolarHBondContact O-N 3.18Å; N184-F186 PolarHBondContact O-N 3.39Å; N184-F186 VanDerWaalsContact O-N 3.09Å; N184-T187 HydrophobicContact CB-CG2 3.6Å; N184-T187 PolarHBondContact O-N 3.1Å; N184-T187 PolarHBondContact O-OG1 2.8Å; N184-K207 PolarHBondContact N-O 2.81Å; N184-G208 WeakPolarHBondContact OD1-CA 3.28Å
185	S	92.4	Very high	92.4	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.021	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.5	179.7	-62.1	0	0	0	0	114.3	N150 Q182 N183	N150-S185 VanDerWaalsContact C-OG 3.31Å; Q182-S185 WeakPolarHBondContact O-CB 3.46Å; Q182-S185 PolarHBondContact O-N 3.28Å; Q182-S185 PolarHBondContact O-OG 3.25Å; N183-S185 PolarHBondContact O-N 3.26Å
186	F	93.1	Very high	92.7	Very high	1 Å²	1	60 Å²	60	0%	0.004	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-2.3	-177.9	-52.5	-60.6	0	0	0	114.2	V149 F154 L163 L165 I181 N184 H188 M189 L195 L197 P206 L209	V149-F186 HydrophobicContact CG1-CE1 4.41Å; F154-F186 HydrophobicContact CD2-CD1 4.19Å; F154-F186 HydrophobicContact CD2-CE1 4.23Å; F154-F186 HydrophobicContact CE2-CD1 4.17Å; F154-F186 AromaticContact CE2-CE1 3.75Å; F154-F186 HydrophobicContact CE2-CE1 3.75Å; L163-F186 HydrophobicContact CD2-CD1 4.36Å; L163-F186 HydrophobicContact CD2-CE1 4.09Å; L165-F186 HydrophobicContact CD1-CE1 4.44Å; I181-F186 HydrophobicContact CD1-CZ 4.27Å; I181-F186 HydrophobicContact CG2-CE2 3.7Å; I181-F186 HydrophobicContact CG2-CZ 3.89Å; N184-F186 PolarHBondContact O-N 3.39Å; N184-F186 VanDerWaalsContact O-N 3.09Å; F186-H188 VanDerWaalsContact C-N 3.3Å; F186-H188 PolarHBondContact O-N 3.32Å; F186-M189 HydrophobicContact CB-CE 3.82Å; F186-M189 HydrophobicContact CD1-CE 3.41Å; F186-M189 VanDerWaalsContact CD1-CE 3.41Å; F186-M189 HydrophobicContact CE1-CE 4.41Å; F186-M189 HydrophobicContact CG-CE 4.08Å; F186-M189 PolarHBondContact O-N 3Å; F186-M189 VanDerWaalsContact O-N 3.15Å; F186-L195 HydrophobicContact CD2-CD2 4.35Å; F186-L195 HydrophobicContact CE2-CD2 4.33Å; F186-L197 HydrophobicContact CE2-CD1 4.24Å; F186-L197 HydrophobicContact CZ-CD1 4.35Å; F186-L197 HydrophobicContact CZ-CD2 4.16Å; F186-P206 HydrophobicContact CD2-CB 4.48Å; F186-P206 HydrophobicContact CE2-CB 4Å; F186-P206 HydrophobicContact CE2-CG 4.22Å; F186-L209 HydrophobicContact CD2-CD2 3.84Å; F186-L209 HydrophobicContact CE2-CD2 4.35Å
187	T	88.2	Confident	93.2	Very high	56 Å²	56	56.2 Å²	56.2	34%	0.344	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-30.6	-170.7	51.8	0	0	0	0	114.5	N184 M189 G208	N184-T187 HydrophobicContact CB-CG2 3.6Å; N184-T187 PolarHBondContact O-N 3.1Å; N184-T187 PolarHBondContact O-OG1 2.8Å; T187-M189 VanDerWaalsContact C-N 3.27Å; T187-M189 PolarHBondContact O-N 3.37Å; T187-G208 VanDerWaalsContact CG2-O 3.23Å; T187-G208 WeakPolarHBondContact CG2-O 3.47Å
188	H	86.7	Confident	93.7	Very high	97 Å²	97	49 Å²	49	45%	0.449	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.8	179.7	-65.3	-60.8	0	0	0	113.7	F186 T190	F186-H188 VanDerWaalsContact C-N 3.3Å; F186-H188 PolarHBondContact O-N 3.32Å; H188-T190 VanDerWaalsContact C-N 3.31Å; H188-T190 PolarHBondContact O-N 3.05Å; H188-T190 VanDerWaalsContact O-N 3.1Å
189	M	91.9	Very high	94.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.237	C	C	.	.			trans	-88.7	68.6	-178.1	-59.9	-174.9	-75.5	0	0	110.8	F154 L160 L163 F186 T187 K191 L192	F154-M189 HydrophobicContact CB-CE 4.23Å; F154-M189 HydrophobicContact CB-SD 4.05Å; F154-M189 HydrophobicContact CD2-CE 4.16Å; F154-M189 HydrophobicContact CG-CE 4.17Å; F154-M189 HydrophobicContact CG-SD 4.25Å; L160-M189 HydrophobicContact CB-SD 4.05Å; L160-M189 HydrophobicContact CD2-SD 3.94Å; L163-M189 HydrophobicContact CD2-CE 4Å; L163-M189 HydrophobicContact CD2-SD 4.45Å; F186-M189 HydrophobicContact CB-CE 3.82Å; F186-M189 HydrophobicContact CD1-CE 3.41Å; F186-M189 VanDerWaalsContact CD1-CE 3.41Å; F186-M189 HydrophobicContact CE1-CE 4.41Å; F186-M189 HydrophobicContact CG-CE 4.08Å; F186-M189 PolarHBondContact O-N 3Å; F186-M189 VanDerWaalsContact O-N 3.15Å; T187-M189 VanDerWaalsContact C-N 3.27Å; T187-M189 PolarHBondContact O-N 3.37Å; M189-K191 PolarHBondContact O-N 3.47Å; M189-K191 VanDerWaalsContact O-N 3.13Å; M189-L192 HydrophobicContact CB-CB 3.96Å; M189-L192 HydrophobicContact CE-CD2 4.03Å; M189-L192 VanDerWaalsContact O-CB 3.27Å; M189-L192 WeakPolarHBondContact O-CB 3.25Å; M189-L192 PolarHBondContact O-N 3.35Å; M189-L192 VanDerWaalsContact O-N 3.09Å
190	T	91.9	Very high	94.3	Very high	97 Å²	97	47.2 Å²	47.2	60%	0.595	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-10	-175.5	54.5	0	0	0	0	115	H188 S212	H188-T190 VanDerWaalsContact C-N 3.31Å; H188-T190 PolarHBondContact O-N 3.05Å; H188-T190 VanDerWaalsContact O-N 3.1Å; T190-S212 WeakPolarHBondContact O-CB 3.19Å; T190-S212 PolarHBondContact O-OG 3.32Å
191	K	96.2	Very high	94.3	Very high	110 Å²	110	42.3 Å²	42.3	48%	0.478	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	0.8	175.8	-62	-175.8	-175.3	171.1	0	113.3	N159 L160 M189 K193	N159-K191 PolarHBondContact OD1-NZ 3.14Å; L160-K191 CarbonylContact O-C 2.97Å; L160-K191 VanDerWaalsContact O-C 3.22Å; M189-K191 PolarHBondContact O-N 3.47Å; M189-K191 VanDerWaalsContact O-N 3.13Å; K191-K193 PolarHBondContact O-N 3.08Å
192	L	97.3	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.			trans	-67.9	120.8	-174.6	-172.2	69.9	0	0	0	110.5	L160 L163 M189 L195 P210 S212 L213	L160-L192 HydrophobicContact CB-CD1 4.46Å; L160-L192 HydrophobicContact CD2-CD1 3.79Å; L160-L192 VanDerWaalsContact O-CA 3.28Å; L160-L192 WeakPolarHBondContact O-CA 3.45Å; L160-L192 PolarHBondContact O-N 3.16Å; L160-L192 VanDerWaalsContact O-N 3.16Å; L163-L192 HydrophobicContact CB-CD1 3.91Å; M189-L192 HydrophobicContact CB-CB 3.96Å; M189-L192 HydrophobicContact CE-CD2 4.03Å; M189-L192 VanDerWaalsContact O-CB 3.27Å; M189-L192 WeakPolarHBondContact O-CB 3.25Å; M189-L192 PolarHBondContact O-N 3.35Å; M189-L192 VanDerWaalsContact O-N 3.09Å; L192-L195 HydrophobicContact CD2-CB 4.26Å; L192-L195 HydrophobicContact CD2-CD1 4.47Å; L192-L195 HydrophobicContact CD2-CD2 4.45Å; L192-P210 HydrophobicContact CB-CG 3.99Å; L192-P210 HydrophobicContact CD2-CG 3.94Å; L192-P210 HydrophobicContact CG-CG 4.5Å; L192-S212 PolarHBondContact N-OG 3.35Å; L192-S212 CarbonylContact O-C 3.48Å; L192-S212 VanDerWaalsContact O-CB 3.31Å; L192-S212 WeakPolarHBondContact O-CB 3.41Å; L192-S212 PolarHBondContact O-OG 3.19Å; L192-L213 HydrophobicContact CB-CD2 4.49Å; L192-L213 HydrophobicContact CD2-CD2 3.98Å; L192-L213 HydrophobicContact CG-CD2 3.89Å; L192-L213 WeakPolarHBondContact O-CA 3.29Å; L192-L213 PolarHBondContact O-N 2.96Å
193	K	97.9	Very high	94.3	Very high	92 Å²	92	39.7 Å²	39.7	40%	0.4	21%	0.209	S	C	.	.			trans	-104	-42	179.1	-65.7	180	171.9	-132	0	111.9	T161 K191 L213 E214 V215	T161-K193 WeakPolarHBondContact O-CA 3.43Å; T161-K193 PolarHBondContact O-N 2.71Å; K191-K193 PolarHBondContact O-N 3.08Å; K193-L213 WeakPolarHBondContact O-CD2 3.05Å; K193-E214 HydrophobicContact CB-CB 4.48Å; K193-E214 HydrophobicContact CB-CG 4.34Å; K193-E214 WeakPolarHBondContact CD-OE1 3.22Å; K193-E214 WeakPolarHBondContact CE-OE1 3.2Å; K193-E214 HydrophobicContact CG-CG 4.39Å; K193-E214 IonicContact NZ-OE1 2.66Å; K193-E214 PolarHBondContact NZ-OE1 3.03Å; K193-E214 PolarHBondContact O-N 3.01Å; K193-V215 PolarHBondContact O-N 2.77Å
194	N	98.3	Very high	94.5	Very high	47 Å²	47	40 Å²	40	25%	0.251	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	-173.9	-61.7	24	0	0	0	110.6	T161 Q162 L163 V215	T161-N194 PolarHBondContact O-N 3.32Å; Q162-N194 WeakPolarHBondContact CA-O 3.11Å; Q162-N194 HydrophobicContact CB-CB 4.24Å; Q162-N194 HydrophobicContact CG-CB 4.06Å; L163-N194 PolarHBondContact N-O 3.03Å; N194-V215 HydrophobicContact CB-CB 4.28Å
195	L	98.3	Very high	94.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	117.5	177.8	178.7	59.7	0	0	0	110.8	L163 F186 L192 L197 L209 L213 V215 L216 N217	L163-L195 HydrophobicContact CB-CD1 3.99Å; L163-L195 HydrophobicContact CD2-CD1 3.92Å; L163-L195 HydrophobicContact CG-CD1 4.05Å; F186-L195 HydrophobicContact CD2-CD2 4.35Å; F186-L195 HydrophobicContact CE2-CD2 4.33Å; L192-L195 HydrophobicContact CD2-CB 4.26Å; L192-L195 HydrophobicContact CD2-CD1 4.47Å; L192-L195 HydrophobicContact CD2-CD2 4.45Å; L195-L197 HydrophobicContact CD1-CD1 4.5Å; L195-L197 HydrophobicContact CD1-CD2 4.07Å; L195-L197 HydrophobicContact CD1-CG 4.03Å; L195-L197 HydrophobicContact CD2-CD1 4.01Å; L195-L197 HydrophobicContact CD2-CG 4.36Å; L195-L197 HydrophobicContact CG-CD1 4.18Å; L195-L197 HydrophobicContact CG-CG 3.98Å; L195-L209 HydrophobicContact CD2-CD2 3.64Å; L195-L213 HydrophobicContact CB-CD2 3.76Å; L195-L213 HydrophobicContact CD2-CD1 4.43Å; L195-V215 PolarHBondContact N-O 2.98Å; L195-L216 HydrophobicContact CB-CD1 4.36Å; L195-L216 HydrophobicContact CD2-CD1 4.09Å; L195-L216 HydrophobicContact CG-CD1 4.3Å; L195-N217 PolarHBondContact O-N 3Å
196	D	98.3	Very high	94.8	Very high	29 Å²	29	37 Å²	37	16%	0.155	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.6	174.1	-178.4	17.7	0	0	0	111.7	L163 L165 S166 S198 N217	L163-D196 PolarHBondContact O-N 3.32Å; L165-D196 CarbonylContact C-O 3.6Å; L165-D196 WeakPolarHBondContact CA-O 3.4Å; L165-D196 PolarHBondContact N-O 3.46Å; S166-D196 WeakPolarHBondContact CB-OD2 3.38Å; S166-D196 PolarHBondContact N-O 3.1Å; S166-D196 PolarHBondContact OG-OD2 2.96Å; D196-S198 VanDerWaalsContact OD1-CB 3.29Å; D196-S198 WeakPolarHBondContact OD1-CB 3.32Å; D196-S198 PolarHBondContact OD1-N 2.96Å; D196-S198 PolarHBondContact OD1-OG 3.38Å; D196-N217 HydrophobicContact CB-CB 4.33Å; D196-N217 PolarHBondContact OD1-ND2 2.98Å
197	L	97.5	Very high	94.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.208	C	C	.	.			trans	-119.8	17.5	178.7	-63.1	176	0	0	0	111.9	L165 I181 F186 L195 N200 L202 P206 N217 V218 N221	L165-L197 HydrophobicContact CB-CD2 3.99Å; L165-L197 HydrophobicContact CD1-CD2 4.05Å; I181-L197 HydrophobicContact CD1-CD1 4.17Å; I181-L197 HydrophobicContact CD1-CD2 4.01Å; F186-L197 HydrophobicContact CE2-CD1 4.24Å; F186-L197 HydrophobicContact CZ-CD1 4.35Å; F186-L197 HydrophobicContact CZ-CD2 4.16Å; L195-L197 HydrophobicContact CD1-CD1 4.5Å; L195-L197 HydrophobicContact CD1-CD2 4.07Å; L195-L197 HydrophobicContact CD1-CG 4.03Å; L195-L197 HydrophobicContact CD2-CD1 4.01Å; L195-L197 HydrophobicContact CD2-CG 4.36Å; L195-L197 HydrophobicContact CG-CD1 4.18Å; L195-L197 HydrophobicContact CG-CG 3.98Å; L197-N200 VanDerWaalsContact C-ND2 3.34Å; L197-N200 PolarHBondContact O-ND2 3.42Å; L197-L202 HydrophobicContact CB-CD1 3.98Å; L197-L202 HydrophobicContact CD1-CD1 4.44Å; L197-P206 HydrophobicContact CD1-CG 3.81Å; L197-N217 WeakPolarHBondContact CA-O 3.4Å; L197-N217 PolarHBondContact N-O 2.78Å; L197-V218 HydrophobicContact CB-CG1 4.32Å; L197-V218 HydrophobicContact CD1-CG1 4.42Å; L197-N221 PolarHBondContact O-ND2 2.82Å
198	S	97	Very high	94.9	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	21%	0.205	C	C	.	.			trans	-65.6	153.1	-178.7	60.4	0	0	0	0	113.1	S166 K167 D196 N200 S219	S166-S198 CarbonylContact C-O 3.34Å; S166-S198 WeakPolarHBondContact CA-O 3.47Å; S166-S198 WeakPolarHBondContact CB-O 3.5Å; S166-S198 WeakPolarHBondContact CB-OG 3.34Å; K167-S198 PolarHBondContact N-O 3.28Å; D196-S198 VanDerWaalsContact OD1-CB 3.29Å; D196-S198 WeakPolarHBondContact OD1-CB 3.32Å; D196-S198 PolarHBondContact OD1-N 2.96Å; D196-S198 PolarHBondContact OD1-OG 3.38Å; S198-N200 PolarHBondContact O-N 3.28Å; S198-S219 WeakPolarHBondContact CA-O 3.28Å; S198-S219 WeakPolarHBondContact CB-O 3.47Å; S198-S219 VanDerWaalsContact CB-OG 3.31Å; S198-S219 WeakPolarHBondContact CB-OG 3.4Å
199	Y	95.3	Very high	95.3	Very high	22 Å²	22	34.9 Å²	34.9	9%	0.086	19%	0.188	C	C	.	.	S	Bend	trans	55.7	45.6	177.4	-62.9	-85.4	0	0	0	114.6	K167 N168 C169 Y170 S219 C220 F453	K167-Y199 CarbonylContact C-O 3.17Å; K167-Y199 VanDerWaalsContact CA-O 3.22Å; K167-Y199 WeakPolarHBondContact CA-O 3.48Å; K167-Y199 HydrophobicContact CG-CD2 4.13Å; K167-Y199 HydrophobicContact CG-CG 4.13Å; K167-Y199 PolarHBondContact N-O 3.48Å; N168-Y199 PolarHBondContact N-O 2.96Å; C169-Y199 CarbonylContact C-O 3.25Å; C169-Y199 VanDerWaalsContact C-O 3.31Å; C169-Y199 PolarHBondContact N-O 2.82Å; C169-Y199 CarbonylContact O-C 3.5Å; Y170-Y199 AromaticContact CD2-CD1 3.77Å; Y170-Y199 HydrophobicContact CD2-CD1 3.77Å; Y170-Y199 HydrophobicContact CD2-CE1 4.35Å; Y170-Y199 HydrophobicContact CE2-CD1 4.5Å; Y170-Y199 HydrophobicContact CG-CD1 4.06Å; Y199-S219 PolarHBondContact N-O 3.12Å; Y199-C220 WeakPolarHBondContact CA-O 3.47Å; Y199-C220 HydrophobicContact CD1-CB 3.64Å; Y199-C220 HydrophobicContact CD2-CB 3.92Å; Y199-C220 HydrophobicContact CE1-CB 3.41Å; Y199-C220 VanDerWaalsContact CE1-CB 3.41Å; Y199-C220 HydrophobicContact CE2-CB 3.71Å; Y199-C220 HydrophobicContact CG-CB 3.89Å; Y199-C220 VanDerWaalsContact CZ-CB 3.45Å; Y199-C220 PolarHBondContact N-O 2.73Å; Y199-C220 PolarHBondContact OH-SG 2.97Å; Y199-C220 VanDerWaalsContact OH-SG 3.33Å; Y199-F453 WeakPolarHBondContact OH-CD2 3.41Å
200	N	96.5	Very high	95.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	19%	0.192	C	C	.	.	S	Bend	trans	-119.2	8.4	178.3	-75.8	-33.6	0	0	0	113.4	L165 N168 C169 V179 L197 S198 L202 N221	L165-N200 PolarHBondContact O-ND2 3.19Å; L165-N200 PolarHBondContact O-OD1 3.45Å; N168-N200 VanDerWaalsContact CB-OD1 3.29Å; N168-N200 WeakPolarHBondContact CB-OD1 3.46Å; N168-N200 PolarHBondContact N-OD1 3.07Å; C169-N200 CarbonylContact O-C 2.95Å; C169-N200 WeakPolarHBondContact O-CA 3.2Å; V179-N200 HydrophobicContact CB-CB 4.22Å; V179-N200 WeakPolarHBondContact CB-O 3.47Å; V179-N200 HydrophobicContact CG2-CB 3.99Å; V179-N200 VanDerWaalsContact CG2-O 3.31Å; V179-N200 WeakPolarHBondContact CG2-O 3.35Å; V179-N200 PolarHBondContact N-O 3.38Å; L197-N200 VanDerWaalsContact C-ND2 3.34Å; L197-N200 PolarHBondContact O-ND2 3.42Å; S198-N200 PolarHBondContact O-N 3.28Å; N200-L202 HydrophobicContact CB-CD1 4.32Å; N200-L202 HydrophobicContact CB-CD2 4.15Å; N200-L202 HydrophobicContact CB-CG 3.82Å; N200-L202 PolarHBondContact O-N 3.31Å; N200-L202 VanDerWaalsContact O-N 3.16Å; N200-N221 VanDerWaalsContact C-OD1 3.28Å; N200-N221 WeakPolarHBondContact CA-OD1 3.29Å; N200-N221 PolarHBondContact N-OD1 3.34Å
201	N	94.6	Very high	95.5	Very high	35 Å²	35	37 Å²	37	19%	0.187	19%	0.193	C	C	.	.			trans	56.1	30.2	-179.6	-163.9	37.8	0	0	0	112.1	C169 P178 N221 K222	C169-N201 HydrophobicContact CB-CB 4.19Å; C169-N201 PolarHBondContact O-N 3.16Å; P178-N201 HydrophobicContact CB-CB 4.43Å; P178-N201 WeakPolarHBondContact CB-O 2.99Å; N201-N221 PolarHBondContact N-OD1 3.1Å; N201-K222 WeakPolarHBondContact OD1-CD 3.05Å; N201-K222 WeakPolarHBondContact OD1-CE 3.14Å; N201-K222 WeakPolarHBondContact OD1-CG 3.49Å; N201-K222 PolarHBondContact OD1-NZ 2.83Å
202	L	95.4	Very high	95.4	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	18%	0.179	C	C	.	.			trans	-67.5	141.4	-179.1	-59.9	176.4	0	0	0	111	V179 I181 L197 N200 N221 K222 I223	V179-L202 HydrophobicContact CB-CD2 4.1Å; V179-L202 WeakPolarHBondContact O-CD2 3.4Å; I181-L202 HydrophobicContact CD1-CD1 4.14Å; I181-L202 HydrophobicContact CD1-CD2 3.83Å; I181-L202 HydrophobicContact CG1-CD2 4.21Å; L197-L202 HydrophobicContact CB-CD1 3.98Å; L197-L202 HydrophobicContact CD1-CD1 4.44Å; N200-L202 HydrophobicContact CB-CD1 4.32Å; N200-L202 HydrophobicContact CB-CD2 4.15Å; N200-L202 HydrophobicContact CB-CG 3.82Å; N200-L202 PolarHBondContact O-N 3.31Å; N200-L202 VanDerWaalsContact O-N 3.16Å; L202-N221 HydrophobicContact CB-CB 4.01Å; L202-N221 WeakPolarHBondContact CG-OD1 3.49Å; L202-N221 PolarHBondContact N-OD1 3.43Å; L202-K222 CarbonylContact O-C 3.16Å; L202-K222 VanDerWaalsContact O-CA 3.29Å; L202-K222 WeakPolarHBondContact O-CA 2.99Å; L202-K222 PolarHBondContact O-N 3.24Å; L202-I223 PolarHBondContact O-N 3.33Å
203	S	93.3	Very high	95.4	Very high	62 Å²	62	33.1 Å²	33.1	43%	0.434	18%	0.179	S	C	.	.	S	Bend	trans	-95.2	-22.4	177.7	-53.5	0	0	0	0	113.9	I223	S203-I223 WeakPolarHBondContact O-CA 3.24Å
204	N	94.6	Very high	95.5	Very high	97 Å²	97	30.7 Å²	30.7	52%	0.519	17%	0.169	S	C	.	.	S	Bend	trans	-142.5	158.6	-179.8	-59.6	-55.9	0	0	0	109.5
205	V	95.4	Very high	95.4	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.03	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-67.5	133	167.6	-177.8	0	0	0	0	108.8	K207 L209 I223 D230	V205-K207 PolarHBondContact O-N 3.07Å; V205-L209 HydrophobicContact CG1-CD1 3.96Å; V205-I223 HydrophobicContact CG2-CD1 3.99Å; V205-D230 HydrophobicContact CB-CB 3.88Å; V205-D230 HydrophobicContact CG1-CB 4.15Å; V205-D230 HydrophobicContact CG2-CB 4.26Å
206	P	94	Very high	95.4	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.058	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-62.2	133.7	178.3	-24.2	35.1	0	0	0	112.3	I181 F186 L197 L209	I181-P206 HydrophobicContact CB-CB 4.46Å; I181-P206 HydrophobicContact CB-CG 4.29Å; I181-P206 HydrophobicContact CD1-CG 3.81Å; I181-P206 HydrophobicContact CG2-CB 3.95Å; I181-P206 HydrophobicContact CG2-CG 4.14Å; F186-P206 HydrophobicContact CD2-CB 4.48Å; F186-P206 HydrophobicContact CE2-CB 4Å; F186-P206 HydrophobicContact CE2-CG 4.22Å; L197-P206 HydrophobicContact CD1-CG 3.81Å; P206-L209 WeakPolarHBondContact O-CG 3.45Å
207	K	92.2	Very high	95.4	Very high	62 Å²	62	29.9 Å²	29.9	27%	0.27	17%	0.166	S	C	.	.	S	Bend	trans	-79.6	147	176.5	-59.7	-64.3	-167	177.4	0	111.6	N183 N184 V205 D230	N183-K207 HydrophobicContact CB-CB 4.37Å; N184-K207 PolarHBondContact N-O 2.81Å; V205-K207 PolarHBondContact O-N 3.07Å; K207-D230 WeakPolarHBondContact CE-OD1 3.21Å; K207-D230 IonicContact NZ-OD1 3.23Å; K207-D230 PolarHBondContact NZ-OD1 2.89Å
208	G	90.2	Very high	95.4	Very high	27 Å²	27	29.9 Å²	29.9	28%	0.278	17%	0.166	S	C	.	.	S	Bend	trans	81.1	39.2	178.4	0	0	0	0	0	113.7	N184 T187	N184-G208 WeakPolarHBondContact OD1-CA 3.28Å; T187-G208 VanDerWaalsContact CG2-O 3.23Å; T187-G208 WeakPolarHBondContact CG2-O 3.47Å
209	L	94.6	Very high	95.4	Very high	20 Å²	20	29.8 Å²	29.8	11%	0.105	17%	0.165	C	C	.	.			trans	-68.4	142.4	172.4	-67.5	171.6	0	0	0	110.6	F186 L195 V205 P206 L213 L216 L234	F186-L209 HydrophobicContact CD2-CD2 3.84Å; F186-L209 HydrophobicContact CE2-CD2 4.35Å; L195-L209 HydrophobicContact CD2-CD2 3.64Å; V205-L209 HydrophobicContact CG1-CD1 3.96Å; P206-L209 WeakPolarHBondContact O-CG 3.45Å; L209-L213 HydrophobicContact CB-CD1 3.99Å; L209-L213 HydrophobicContact CD2-CD1 4.32Å; L209-L216 HydrophobicContact CD1-CD1 4.31Å; L209-L216 HydrophobicContact CD1-CD2 3.84Å; L209-L234 HydrophobicContact CB-CD1 4.38Å; L209-L234 HydrophobicContact CB-CD2 3.94Å; L209-L234 HydrophobicContact CD1-CD1 4.05Å
210	P	93.9	Very high	95.4	Very high	11 Å²	11	30 Å²	30	7%	0.071	17%	0.169	C	C	.	.			trans	-72.4	140.6	-177.3	26	-30	0	0	0	112.1	L192 S212 L213 L234	L192-P210 HydrophobicContact CB-CG 3.99Å; L192-P210 HydrophobicContact CD2-CG 3.94Å; L192-P210 HydrophobicContact CG-CG 4.5Å; P210-S212 PolarHBondContact O-N 3.28Å; P210-S212 VanDerWaalsContact O-N 3.14Å; P210-L213 HydrophobicContact CG-CD1 4.35Å; P210-L213 HydrophobicContact CG-CG 4.06Å; P210-L213 WeakPolarHBondContact O-CG 3.44Å; P210-L213 PolarHBondContact O-N 2.87Å; P210-L234 WeakPolarHBondContact O-CD2 3.46Å
211	Q	93.8	Very high	95.3	Very high	132 Å²	132	30.2 Å²	30.2	62%	0.617	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.1	-178.3	-59.4	-175.2	-21.7	0	0	114	L213 G233 N236	Q211-L213 PolarHBondContact O-N 2.84Å; Q211-G233 WeakPolarHBondContact CG-O 3.43Å; Q211-N236 PolarHBondContact O-ND2 3.06Å
212	S	96	Very high	95.3	Very high	27 Å²	27	33.6 Å²	33.6	19%	0.189	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.3	177.1	54.4	0	0	0	0	113.8	T190 L192 P210 E214	T190-S212 WeakPolarHBondContact O-CB 3.19Å; T190-S212 PolarHBondContact O-OG 3.32Å; L192-S212 PolarHBondContact N-OG 3.35Å; L192-S212 CarbonylContact O-C 3.48Å; L192-S212 VanDerWaalsContact O-CB 3.31Å; L192-S212 WeakPolarHBondContact O-CB 3.41Å; L192-S212 PolarHBondContact O-OG 3.19Å; P210-S212 PolarHBondContact O-N 3.28Å; P210-S212 VanDerWaalsContact O-N 3.14Å; S212-E214 PolarHBondContact O-N 2.85Å
213	L	97.4	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.			trans	-62	128.9	-176.7	-75.4	175.1	0	0	0	112	L192 K193 L195 L209 P210 Q211 L234 N236 L237	L192-L213 HydrophobicContact CB-CD2 4.49Å; L192-L213 HydrophobicContact CD2-CD2 3.98Å; L192-L213 HydrophobicContact CG-CD2 3.89Å; L192-L213 WeakPolarHBondContact O-CA 3.29Å; L192-L213 PolarHBondContact O-N 2.96Å; K193-L213 WeakPolarHBondContact O-CD2 3.05Å; L195-L213 HydrophobicContact CB-CD2 3.76Å; L195-L213 HydrophobicContact CD2-CD1 4.43Å; L209-L213 HydrophobicContact CB-CD1 3.99Å; L209-L213 HydrophobicContact CD2-CD1 4.32Å; P210-L213 HydrophobicContact CG-CD1 4.35Å; P210-L213 HydrophobicContact CG-CG 4.06Å; P210-L213 WeakPolarHBondContact O-CG 3.44Å; P210-L213 PolarHBondContact O-N 2.87Å; Q211-L213 PolarHBondContact O-N 2.84Å; L213-L234 HydrophobicContact CD1-CD2 4.25Å; L213-N236 CarbonylContact O-C 3.46Å; L213-N236 VanDerWaalsContact O-C 3.26Å; L213-L237 HydrophobicContact CB-CD1 4.16Å; L213-L237 WeakPolarHBondContact O-CA 3.26Å; L213-L237 PolarHBondContact O-N 3.06Å
214	E	98.1	Very high	95.4	Very high	42 Å²	42	34.4 Å²	34.4	20%	0.196	18%	0.181	C	C	.	.	S	Bend	trans	-104.3	-30.1	170.4	-60.8	-173.4	-145.2	0	0	110.7	K193 S212 K238 L239	K193-E214 HydrophobicContact CB-CB 4.48Å; K193-E214 HydrophobicContact CB-CG 4.34Å; K193-E214 WeakPolarHBondContact CD-OE1 3.22Å; K193-E214 WeakPolarHBondContact CE-OE1 3.2Å; K193-E214 HydrophobicContact CG-CG 4.39Å; K193-E214 IonicContact NZ-OE1 2.66Å; K193-E214 PolarHBondContact NZ-OE1 3.03Å; K193-E214 PolarHBondContact O-N 3.01Å; S212-E214 PolarHBondContact O-N 2.85Å; E214-K238 WeakPolarHBondContact O-CA 3.09Å; E214-K238 PolarHBondContact O-N 2.94Å; E214-K238 IonicContact OE2-NZ 2.78Å; E214-K238 PolarHBondContact OE2-NZ 3.28Å; E214-L239 PolarHBondContact O-N 3.31Å
215	V	98.3	Very high	95.5	Very high	37 Å²	37	33.9 Å²	33.9	22%	0.224	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.5	-178.8	-178	0	0	0	0	110.7	K193 N194 L195 L239	K193-V215 PolarHBondContact O-N 2.77Å; N194-V215 HydrophobicContact CB-CB 4.28Å; L195-V215 PolarHBondContact N-O 2.98Å; V215-L239 WeakPolarHBondContact CA-O 3.38Å; V215-L239 HydrophobicContact CB-CB 4.47Å; V215-L239 HydrophobicContact CG1-CB 4.22Å; V215-L239 HydrophobicContact CG1-CD2 3.98Å; V215-L239 HydrophobicContact CG2-CB 4.09Å
216	L	98.3	Very high	95.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.7	173.4	179.6	62.7	0	0	0	110.1	L195 L209 V218 L231 L234 L237 L239 L240 K241	L195-L216 HydrophobicContact CB-CD1 4.36Å; L195-L216 HydrophobicContact CD2-CD1 4.09Å; L195-L216 HydrophobicContact CG-CD1 4.3Å; L209-L216 HydrophobicContact CD1-CD1 4.31Å; L209-L216 HydrophobicContact CD1-CD2 3.84Å; L216-V218 HydrophobicContact CD1-CG1 4.02Å; L216-V218 HydrophobicContact CG-CG1 4.23Å; L216-L231 HydrophobicContact CD2-CD2 3.87Å; L216-L234 HydrophobicContact CD2-CD1 4.22Å; L216-L237 HydrophobicContact CB-CD1 3.79Å; L216-L237 HydrophobicContact CB-CD2 4.46Å; L216-L239 PolarHBondContact N-O 2.81Å; L216-L240 HydrophobicContact CB-CD1 4.24Å; L216-L240 HydrophobicContact CD2-CD1 4.04Å; L216-L240 HydrophobicContact CG-CD1 4.27Å; L216-K241 PolarHBondContact O-N 2.9Å
217	N	98.3	Very high	95.6	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.118	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	113	173	-174.3	9.8	0	0	0	111	L195 D196 L197 S219 K241	L195-N217 PolarHBondContact O-N 3Å; D196-N217 HydrophobicContact CB-CB 4.33Å; D196-N217 PolarHBondContact OD1-ND2 2.98Å; L197-N217 WeakPolarHBondContact CA-O 3.4Å; L197-N217 PolarHBondContact N-O 2.78Å; N217-S219 WeakPolarHBondContact OD1-CB 3.44Å; N217-S219 PolarHBondContact OD1-N 3.05Å; N217-S219 PolarHBondContact OD1-OG 3.38Å; N217-K241 HydrophobicContact CB-CB 4.05Å; N217-K241 VanDerWaalsContact OD1-CB 3.29Å; N217-K241 WeakPolarHBondContact OD1-CB 3.46Å
218	V	97.4	Very high	95.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.193	C	C	.	.			trans	-122.5	23.6	173.9	-65.7	0	0	0	0	111	L197 L216 N221 I223 K241 I242 N245	L197-V218 HydrophobicContact CB-CG1 4.32Å; L197-V218 HydrophobicContact CD1-CG1 4.42Å; L216-V218 HydrophobicContact CD1-CG1 4.02Å; L216-V218 HydrophobicContact CG-CG1 4.23Å; V218-N221 PolarHBondContact O-ND2 3.2Å; V218-I223 HydrophobicContact CB-CD1 4.04Å; V218-I223 HydrophobicContact CG2-CD1 4.2Å; V218-K241 PolarHBondContact N-O 2.67Å; V218-I242 HydrophobicContact CG2-CB 4.5Å; V218-I242 HydrophobicContact CG2-CG2 3.77Å; V218-N245 PolarHBondContact O-ND2 3.44Å
219	S	96.3	Very high	95.7	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.028	21%	0.205	C	C	.	.			trans	-65.9	159.4	-177.5	75.4	0	0	0	0	113.5	S198 Y199 N217 N221 K241 Q243	S198-S219 WeakPolarHBondContact CA-O 3.28Å; S198-S219 WeakPolarHBondContact CB-O 3.47Å; S198-S219 VanDerWaalsContact CB-OG 3.31Å; S198-S219 WeakPolarHBondContact CB-OG 3.4Å; Y199-S219 PolarHBondContact N-O 3.12Å; N217-S219 WeakPolarHBondContact OD1-CB 3.44Å; N217-S219 PolarHBondContact OD1-N 3.05Å; N217-S219 PolarHBondContact OD1-OG 3.38Å; S219-N221 PolarHBondContact O-N 3.38Å; S219-N221 PolarHBondContact O-ND2 2.9Å; S219-K241 PolarHBondContact N-O 2.98Å; S219-Q243 CarbonylContact C-O 3.53Å; S219-Q243 WeakPolarHBondContact CA-O 3.48Å; S219-Q243 WeakPolarHBondContact CB-O 3.28Å
220	C	94.6	Very high	95.7	Very high	25 Å²	25	43.3 Å²	43.3	17%	0.169	20%	0.203	C	C	.	.	S	Bend	trans	54.2	39.7	172.9	-55.5	0	0	0	0	113	Y199 Q243 G244	Y199-C220 WeakPolarHBondContact CA-O 3.47Å; Y199-C220 HydrophobicContact CD1-CB 3.64Å; Y199-C220 HydrophobicContact CD2-CB 3.92Å; Y199-C220 HydrophobicContact CE1-CB 3.41Å; Y199-C220 VanDerWaalsContact CE1-CB 3.41Å; Y199-C220 HydrophobicContact CE2-CB 3.71Å; Y199-C220 HydrophobicContact CG-CB 3.89Å; Y199-C220 VanDerWaalsContact CZ-CB 3.45Å; Y199-C220 PolarHBondContact N-O 2.73Å; Y199-C220 PolarHBondContact OH-SG 2.97Å; Y199-C220 VanDerWaalsContact OH-SG 3.33Å; C220-Q243 PolarHBondContact N-O 2.7Å; C220-G244 WeakPolarHBondContact CA-O 3.35Å
221	N	95.6	Very high	95.7	Very high	8 Å²	8	43 Å²	43	4%	0.043	20%	0.2	C	C	.	.	S	Bend	trans	-106.1	-158.2	171.2	-78.6	-65.1	0	0	0	109.5	L197 N200 N201 L202 V218 S219 I223 N245	L197-N221 PolarHBondContact O-ND2 2.82Å; N200-N221 VanDerWaalsContact C-OD1 3.28Å; N200-N221 WeakPolarHBondContact CA-OD1 3.29Å; N200-N221 PolarHBondContact N-OD1 3.34Å; N201-N221 PolarHBondContact N-OD1 3.1Å; L202-N221 HydrophobicContact CB-CB 4.01Å; L202-N221 WeakPolarHBondContact CG-OD1 3.49Å; L202-N221 PolarHBondContact N-OD1 3.43Å; V218-N221 PolarHBondContact O-ND2 3.2Å; S219-N221 PolarHBondContact O-N 3.38Å; S219-N221 PolarHBondContact O-ND2 2.9Å; N221-I223 HydrophobicContact CB-CD1 4.32Å; N221-I223 HydrophobicContact CB-CG1 4.14Å; N221-N245 VanDerWaalsContact C-OD1 3.27Å; N221-N245 WeakPolarHBondContact CA-OD1 3.36Å; N221-N245 WeakPolarHBondContact CB-OD1 3.45Å; N221-N245 PolarHBondContact N-OD1 2.97Å
222	K	94.1	Very high	95.5	Very high	106 Å²	106	40.1 Å²	40.1	46%	0.461	19%	0.194	S	C	.	.			trans	-121.6	35	175.6	-66.5	-167.5	178.4	156.2	0	111.3	N201 L202 Q224	N201-K222 WeakPolarHBondContact OD1-CD 3.05Å; N201-K222 WeakPolarHBondContact OD1-CE 3.14Å; N201-K222 WeakPolarHBondContact OD1-CG 3.49Å; N201-K222 PolarHBondContact OD1-NZ 2.83Å; L202-K222 CarbonylContact O-C 3.16Å; L202-K222 VanDerWaalsContact O-CA 3.29Å; L202-K222 WeakPolarHBondContact O-CA 2.99Å; L202-K222 PolarHBondContact O-N 3.24Å; K222-Q224 PolarHBondContact O-N 2.89Å
223	I	95.7	Very high	95.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.193	C	C	.	.			trans	-73.4	119.1	179.3	-57.3	170.7	0	0	0	107.9	L202 S203 V205 V218 N221 Y225 I226 N245 L264	L202-I223 PolarHBondContact O-N 3.33Å; S203-I223 WeakPolarHBondContact O-CA 3.24Å; V205-I223 HydrophobicContact CG2-CD1 3.99Å; V218-I223 HydrophobicContact CB-CD1 4.04Å; V218-I223 HydrophobicContact CG2-CD1 4.2Å; N221-I223 HydrophobicContact CB-CD1 4.32Å; N221-I223 HydrophobicContact CB-CG1 4.14Å; I223-Y225 WeakPolarHBondContact CG2-O 3.43Å; I223-I226 HydrophobicContact CG2-CG1 4.35Å; I223-N245 HydrophobicContact CB-CB 4.3Å; I223-N245 VanDerWaalsContact CB-OD1 3.31Å; I223-N245 WeakPolarHBondContact CB-OD1 3.47Å; I223-N245 WeakPolarHBondContact CG1-OD1 3.46Å; I223-N245 PolarHBondContact N-OD1 2.94Å; I223-N245 VanDerWaalsContact N-OD1 3.14Å; I223-N245 WeakPolarHBondContact O-CB 3.34Å; I223-L264 WeakPolarHBondContact O-CD1 3.36Å
224	Q	95.3	Very high	95	Very high	86 Å²	86	39.6 Å²	39.6	40%	0.402	19%	0.193	S	C	.	.			trans	-95.7	-22.9	-177.5	-62.6	-178	18.4	0	0	112.9	K222 G265	K222-Q224 PolarHBondContact O-N 2.89Å; Q224-G265 PolarHBondContact O-N 3.14Å
225	Y	96.5	Very high	94.7	Very high	86 Å²	86	41.2 Å²	41.2	34%	0.337	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.5	-176.8	-154	-85.8	0	0	0	110.8	I223 F227 G265 D267	I223-Y225 WeakPolarHBondContact CG2-O 3.43Å; Y225-F227 AromaticContact CD1-CD1 3.51Å; Y225-F227 HydrophobicContact CD1-CD1 3.51Å; Y225-F227 AromaticContact CD1-CD2 3.91Å; Y225-F227 HydrophobicContact CD1-CD2 3.91Å; Y225-F227 AromaticContact CD1-CE1 3.39Å; Y225-F227 HydrophobicContact CD1-CE1 3.39Å; Y225-F227 AromaticContact CD1-CE2 3.8Å; Y225-F227 HydrophobicContact CD1-CE2 3.8Å; Y225-F227 AromaticContact CD1-CG 3.77Å; Y225-F227 HydrophobicContact CD1-CG 3.77Å; Y225-F227 AromaticContact CD1-CZ 3.54Å; Y225-F227 HydrophobicContact CD1-CZ 3.54Å; Y225-F227 AromaticContact CE1-CD1 3.55Å; Y225-F227 HydrophobicContact CE1-CD1 3.55Å; Y225-F227 AromaticContact CE1-CE1 3.6Å; Y225-F227 HydrophobicContact CE1-CE1 3.6Å; Y225-F227 HydrophobicContact CE1-CG 4.14Å; Y225-F227 HydrophobicContact CE1-CZ 4.23Å; Y225-F227 HydrophobicContact CG-CE1 4.22Å; Y225-F227 HydrophobicContact CG-CE2 4.31Å; Y225-F227 HydrophobicContact CG-CZ 4.02Å; Y225-G265 CarbonylContact C-O 3.16Å; Y225-G265 VanDerWaalsContact CA-O 3.28Å; Y225-G265 WeakPolarHBondContact CA-O 3.45Å; Y225-D267 PolarHBondContact OH-OD1 2.95Å
226	I	96.6	Very high	94.6	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.8	171	-59.6	179.5	0	0	0	108.1	I223 D230 L231 I242 L264 G265 I266 D267 A270	I223-I226 HydrophobicContact CG2-CG1 4.35Å; I226-D230 HydrophobicContact CG2-CB 4.44Å; I226-L231 HydrophobicContact CG2-CD1 3.96Å; I226-L231 HydrophobicContact CG2-CG 4.39Å; I226-I242 HydrophobicContact CD1-CB 4.29Å; I226-I242 HydrophobicContact CD1-CD1 3.65Å; I226-I242 HydrophobicContact CD1-CG2 4.02Å; I226-L264 HydrophobicContact CD1-CD2 4.14Å; I226-L264 HydrophobicContact CG1-CD1 4.48Å; I226-G265 PolarHBondContact N-O 2.87Å; I226-I266 HydrophobicContact CB-CG1 4.47Å; I226-I266 HydrophobicContact CB-CG2 4.43Å; I226-I266 HydrophobicContact CD1-CG1 4.45Å; I226-D267 PolarHBondContact O-N 3.43Å; I226-A270 HydrophobicContact CG2-CB 4.37Å
227	F	95.5	Very high	94.6	Very high	81 Å²	81	43.5 Å²	43.5	36%	0.355	21%	0.214	S	C	.	.			trans	-87.4	156.2	178.7	-61.2	-83.2	0	0	0	111.6	Y225 E229 D230 D267	Y225-F227 AromaticContact CD1-CD1 3.51Å; Y225-F227 HydrophobicContact CD1-CD1 3.51Å; Y225-F227 AromaticContact CD1-CD2 3.91Å; Y225-F227 HydrophobicContact CD1-CD2 3.91Å; Y225-F227 AromaticContact CD1-CE1 3.39Å; Y225-F227 HydrophobicContact CD1-CE1 3.39Å; Y225-F227 AromaticContact CD1-CE2 3.8Å; Y225-F227 HydrophobicContact CD1-CE2 3.8Å; Y225-F227 AromaticContact CD1-CG 3.77Å; Y225-F227 HydrophobicContact CD1-CG 3.77Å; Y225-F227 AromaticContact CD1-CZ 3.54Å; Y225-F227 HydrophobicContact CD1-CZ 3.54Å; Y225-F227 AromaticContact CE1-CD1 3.55Å; Y225-F227 HydrophobicContact CE1-CD1 3.55Å; Y225-F227 AromaticContact CE1-CE1 3.6Å; Y225-F227 HydrophobicContact CE1-CE1 3.6Å; Y225-F227 HydrophobicContact CE1-CG 4.14Å; Y225-F227 HydrophobicContact CE1-CZ 4.23Å; Y225-F227 HydrophobicContact CG-CE1 4.22Å; Y225-F227 HydrophobicContact CG-CE2 4.31Å; Y225-F227 HydrophobicContact CG-CZ 4.02Å; F227-E229 WeakPolarHBondContact CB-OE2 3.38Å; F227-E229 PolarHBondContact O-N 3.1Å; F227-D230 PolarHBondContact N-OD2 3.01Å; F227-D230 VanDerWaalsContact O-CB 3.32Å; F227-D230 WeakPolarHBondContact O-CB 3.04Å; F227-D230 PolarHBondContact O-N 2.8Å; F227-D267 VanDerWaalsContact CA-OD2 3.28Å; F227-D267 WeakPolarHBondContact CA-OD2 3.27Å
228	R	92.9	Very high	94.6	Very high	113 Å²	113	46.1 Å²	46.1	43%	0.426	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-51.9	-39.7	174.3	-174.3	-174.9	-175.1	-157.2	5.5	113	D230 S232 D267 D269 E272	R228-D230 VanDerWaalsContact C-N 3.27Å; R228-D230 PolarHBondContact O-N 3.01Å; R228-S232 PolarHBondContact O-N 3.12Å; R228-D267 HydrophobicContact CB-CB 4.5Å; R228-D267 PolarHBondContact N-OD2 2.65Å; R228-D269 HydrophobicContact CG-CB 4.37Å; R228-E272 IonicContact CZ-OE2 3.72Å; R228-E272 IonicContact NE-OE2 2.74Å; R228-E272 IonicContact NH2-OE2 3Å; R228-E272 PolarHBondContact NH2-OE2 3.24Å
229	E	91.8	Very high	94.6	Very high	116 Å²	116	47.6 Å²	47.6	54%	0.542	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-77.1	-10.5	-177.1	-46.8	75.1	-156.8	0	0	113.3	F227	F227-E229 WeakPolarHBondContact CB-OE2 3.38Å; F227-E229 PolarHBondContact O-N 3.1Å
230	D	94	Very high	94.7	Very high	8 Å²	8	47.4 Å²	47.4	4%	0.043	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-68.8	-37	178.9	-72.1	-30.3	0	0	0	112.5	V205 K207 I226 F227 R228	V205-D230 HydrophobicContact CB-CB 3.88Å; V205-D230 HydrophobicContact CG1-CB 4.15Å; V205-D230 HydrophobicContact CG2-CB 4.26Å; K207-D230 WeakPolarHBondContact CE-OD1 3.21Å; K207-D230 IonicContact NZ-OD1 3.23Å; K207-D230 PolarHBondContact NZ-OD1 2.89Å; I226-D230 HydrophobicContact CG2-CB 4.44Å; F227-D230 PolarHBondContact N-OD2 3.01Å; F227-D230 VanDerWaalsContact O-CB 3.32Å; F227-D230 WeakPolarHBondContact O-CB 3.04Å; F227-D230 PolarHBondContact O-N 2.8Å; R228-D230 VanDerWaalsContact C-N 3.27Å; R228-D230 PolarHBondContact O-N 3.01Å
231	L	93.8	Very high	94.8	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	23%	0.229	C	C	.	.	S	Bend	trans	-113	6.1	-174.8	-54.9	172.8	0	0	0	112.5	L216 I226 G233 L234 L240 F271 L274	L216-L231 HydrophobicContact CD2-CD2 3.87Å; I226-L231 HydrophobicContact CG2-CD1 3.96Å; I226-L231 HydrophobicContact CG2-CG 4.39Å; L231-G233 PolarHBondContact O-N 3.31Å; L231-L234 HydrophobicContact CD2-CD1 4.16Å; L231-L234 PolarHBondContact O-N 3.16Å; L231-L240 HydrophobicContact CD1-CD2 3.97Å; L231-L240 HydrophobicContact CD2-CD1 4.49Å; L231-F271 HydrophobicContact CD1-CD1 3.81Å; L231-F271 HydrophobicContact CD1-CE1 3.7Å; L231-L274 HydrophobicContact CD1-CD1 4.32Å
232	S	89.8	Confident	94.9	Very high	71 Å²	71	47.4 Å²	47.4	50%	0.497	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	132.6	-179.4	-173.5	0	0	0	0	111.8	R228	R228-S232 PolarHBondContact O-N 3.12Å
233	G	87.7	Confident	94.9	Very high	15 Å²	15	42.9 Å²	42.9	16%	0.155	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-2.4	178.8	0	0	0	0	0	115.5	Q211 L231 N235	Q211-G233 WeakPolarHBondContact CG-O 3.43Å; L231-G233 PolarHBondContact O-N 3.31Å; G233-N235 PolarHBondContact O-N 3.19Å
234	L	94.4	Very high	94.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.216	C	C	.	.			trans	-82.2	53.5	177.4	-57.9	-175.6	0	0	0	112.4	L209 P210 L213 L216 L231 N236 L237 L274	L209-L234 HydrophobicContact CB-CD1 4.38Å; L209-L234 HydrophobicContact CB-CD2 3.94Å; L209-L234 HydrophobicContact CD1-CD1 4.05Å; P210-L234 WeakPolarHBondContact O-CD2 3.46Å; L213-L234 HydrophobicContact CD1-CD2 4.25Å; L216-L234 HydrophobicContact CD2-CD1 4.22Å; L231-L234 HydrophobicContact CD2-CD1 4.16Å; L231-L234 PolarHBondContact O-N 3.16Å; L234-N236 PolarHBondContact O-N 2.98Å; L234-L237 HydrophobicContact CB-CB 4.28Å; L234-L237 VanDerWaalsContact O-CB 3.26Å; L234-L237 WeakPolarHBondContact O-CB 3.33Å; L234-L237 PolarHBondContact O-N 3.17Å; L234-L237 VanDerWaalsContact O-N 3.17Å; L234-L274 HydrophobicContact CB-CD2 4.01Å; L234-L274 WeakPolarHBondContact O-CD2 3.4Å
235	N	92.9	Very high	94.8	Very high	76 Å²	76	39.7 Å²	39.7	41%	0.406	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.5	-169.7	-56.3	-16.6	0	0	0	113.6	G233 N273 E276	G233-N235 PolarHBondContact O-N 3.19Å; N235-N273 PolarHBondContact OD1-O 3.2Å; N235-E276 WeakPolarHBondContact O-CB 3.45Å; N235-E276 WeakPolarHBondContact O-CG 3.44Å
236	N	95.9	Very high	94.8	Very high	85 Å²	85	35.6 Å²	35.6	46%	0.455	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.4	179.6	-63	-45.5	0	0	0	113.4	Q211 L213 L234 K238	Q211-N236 PolarHBondContact O-ND2 3.06Å; L213-N236 CarbonylContact O-C 3.46Å; L213-N236 VanDerWaalsContact O-C 3.26Å; L234-N236 PolarHBondContact O-N 2.98Å; N236-K238 PolarHBondContact O-N 2.79Å
237	L	97.5	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.			trans	-68.7	121	-174.1	-162.8	73.3	0	0	0	110.3	L213 L216 L234 L240 L274 E276 L277	L213-L237 HydrophobicContact CB-CD1 4.16Å; L213-L237 WeakPolarHBondContact O-CA 3.26Å; L213-L237 PolarHBondContact O-N 3.06Å; L216-L237 HydrophobicContact CB-CD1 3.79Å; L216-L237 HydrophobicContact CB-CD2 4.46Å; L234-L237 HydrophobicContact CB-CB 4.28Å; L234-L237 VanDerWaalsContact O-CB 3.26Å; L234-L237 WeakPolarHBondContact O-CB 3.33Å; L234-L237 PolarHBondContact O-N 3.17Å; L234-L237 VanDerWaalsContact O-N 3.17Å; L237-L240 HydrophobicContact CD2-CB 4.01Å; L237-L240 HydrophobicContact CD2-CD1 4.22Å; L237-L240 HydrophobicContact CD2-CG 4.49Å; L237-L274 HydrophobicContact CB-CD2 4.25Å; L237-L274 HydrophobicContact CD2-CD1 4.34Å; L237-L274 HydrophobicContact CD2-CD2 4.16Å; L237-E276 CarbonylContact O-C 3.1Å; L237-E276 VanDerWaalsContact O-C 3.25Å; L237-L277 HydrophobicContact CB-CD1 4.48Å; L237-L277 HydrophobicContact CD2-CD1 4.18Å; L237-L277 HydrophobicContact CG-CD1 4.14Å; L237-L277 VanDerWaalsContact O-CA 3.26Å; L237-L277 WeakPolarHBondContact O-CA 3.39Å; L237-L277 PolarHBondContact O-N 3.21Å; L237-L277 VanDerWaalsContact O-N 3.13Å
238	K	98	Very high	94.5	Very high	77 Å²	77	33.5 Å²	33.5	34%	0.335	17%	0.174	S	C	.	.			trans	-101.5	-31.8	178.4	-64.8	176.9	-175.2	161.5	0	112.3	E214 N236 E278 E279	E214-K238 WeakPolarHBondContact O-CA 3.09Å; E214-K238 PolarHBondContact O-N 2.94Å; E214-K238 IonicContact OE2-NZ 2.78Å; E214-K238 PolarHBondContact OE2-NZ 3.28Å; N236-K238 PolarHBondContact O-N 2.79Å; K238-E278 PolarHBondContact O-N 3.46Å; K238-E279 PolarHBondContact O-N 3.27Å
239	L	98	Very high	94.4	Very high	33 Å²	33	29.6 Å²	29.6	17%	0.173	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124	-177.3	-165.9	158.1	0	0	0	111.1	E214 V215 L216 K241 E279	E214-L239 PolarHBondContact O-N 3.31Å; V215-L239 WeakPolarHBondContact CA-O 3.38Å; V215-L239 HydrophobicContact CB-CB 4.47Å; V215-L239 HydrophobicContact CG1-CB 4.22Å; V215-L239 HydrophobicContact CG1-CD2 3.98Å; V215-L239 HydrophobicContact CG2-CB 4.09Å; L216-L239 PolarHBondContact N-O 2.81Å; L239-K241 HydrophobicContact CD2-CB 4.35Å; L239-K241 HydrophobicContact CD2-CD 3.58Å; L239-K241 HydrophobicContact CD2-CG 3.62Å; L239-E279 WeakPolarHBondContact CA-O 3.4Å; L239-E279 HydrophobicContact CG-CB 4.22Å; L239-E279 HydrophobicContact CG-CG 4.38Å
240	L	98.1	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.5	175.5	178.3	60	0	0	0	111.1	L216 L231 L237 I242 F271 L274 L277 E279 I280 N281	L216-L240 HydrophobicContact CB-CD1 4.24Å; L216-L240 HydrophobicContact CD2-CD1 4.04Å; L216-L240 HydrophobicContact CG-CD1 4.27Å; L231-L240 HydrophobicContact CD1-CD2 3.97Å; L231-L240 HydrophobicContact CD2-CD1 4.49Å; L237-L240 HydrophobicContact CD2-CB 4.01Å; L237-L240 HydrophobicContact CD2-CD1 4.22Å; L237-L240 HydrophobicContact CD2-CG 4.49Å; L240-I242 HydrophobicContact CD1-CG2 3.75Å; L240-I242 HydrophobicContact CD2-CG2 4.36Å; L240-I242 HydrophobicContact CG-CG2 3.9Å; L240-F271 HydrophobicContact CD2-CD1 4.28Å; L240-F271 HydrophobicContact CD2-CE1 3.86Å; L240-L274 HydrophobicContact CD2-CD1 4.14Å; L240-L277 HydrophobicContact CB-CD1 3.88Å; L240-E279 PolarHBondContact N-O 3.41Å; L240-I280 HydrophobicContact CB-CG1 4.29Å; L240-I280 HydrophobicContact CD2-CD1 4.16Å; L240-I280 HydrophobicContact CD2-CG1 4.39Å; L240-I280 HydrophobicContact CG-CG1 4.45Å; L240-I280 WeakPolarHBondContact O-CA 2.92Å; L240-N281 PolarHBondContact O-N 2.78Å
241	K	97.7	Very high	93.8	Very high	30 Å²	30	34.6 Å²	34.6	13%	0.13	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	109.9	176.6	-84.8	165.1	-179.3	-178.4	0	110.2	L216 N217 V218 S219 L239 Q243 N281	L216-K241 PolarHBondContact O-N 2.9Å; N217-K241 HydrophobicContact CB-CB 4.05Å; N217-K241 VanDerWaalsContact OD1-CB 3.29Å; N217-K241 WeakPolarHBondContact OD1-CB 3.46Å; V218-K241 PolarHBondContact N-O 2.67Å; S219-K241 PolarHBondContact N-O 2.98Å; L239-K241 HydrophobicContact CD2-CB 4.35Å; L239-K241 HydrophobicContact CD2-CD 3.58Å; L239-K241 HydrophobicContact CD2-CG 3.62Å; K241-Q243 VanDerWaalsContact CB-OE1 3.24Å; K241-N281 HydrophobicContact CG-CB 4.01Å
242	I	97	Very high	93.4	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	20%	0.202	C	C	.	.			trans	-123.5	10.7	179.1	63.3	168.7	0	0	0	112.5	V218 I226 L240 N245 L264 I266 F271 N281 M282 N285	V218-I242 HydrophobicContact CG2-CB 4.5Å; V218-I242 HydrophobicContact CG2-CG2 3.77Å; I226-I242 HydrophobicContact CD1-CB 4.29Å; I226-I242 HydrophobicContact CD1-CD1 3.65Å; I226-I242 HydrophobicContact CD1-CG2 4.02Å; L240-I242 HydrophobicContact CD1-CG2 3.75Å; L240-I242 HydrophobicContact CD2-CG2 4.36Å; L240-I242 HydrophobicContact CG-CG2 3.9Å; I242-N245 PolarHBondContact O-ND2 2.87Å; I242-L264 HydrophobicContact CD1-CD2 4.05Å; I242-I266 HydrophobicContact CD1-CD1 4.15Å; I242-F271 HydrophobicContact CD1-CZ 4.44Å; I242-N281 VanDerWaalsContact CG1-O 3.28Å; I242-N281 WeakPolarHBondContact CG1-O 3.26Å; I242-N281 PolarHBondContact N-O 3.29Å; I242-M282 HydrophobicContact CD1-CB 4.32Å; I242-M282 HydrophobicContact CD1-CG 3.78Å; I242-M282 HydrophobicContact CD1-SD 4.17Å; I242-M282 HydrophobicContact CG1-CB 4.28Å; I242-M282 HydrophobicContact CG1-CG 3.9Å; I242-N285 PolarHBondContact O-ND2 2.67Å; I242-N285 PolarHBondContact O-OD1 3.31Å
243	Q	94.6	Very high	93.2	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.056	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	152.6	-174.3	70.2	-80.8	13.3	0	0	113.4	S219 C220 K241 N245 N281 G283	S219-Q243 CarbonylContact C-O 3.53Å; S219-Q243 WeakPolarHBondContact CA-O 3.48Å; S219-Q243 WeakPolarHBondContact CB-O 3.28Å; C220-Q243 PolarHBondContact N-O 2.7Å; K241-Q243 VanDerWaalsContact CB-OE1 3.24Å; Q243-N245 VanDerWaalsContact C-N 3.3Å; Q243-N245 PolarHBondContact O-N 2.85Å; Q243-N281 WeakPolarHBondContact CB-OD1 3.27Å; Q243-N281 PolarHBondContact N-O 3.48Å; Q243-G283 CarbonylContact C-O 3.58Å; Q243-G283 WeakPolarHBondContact CA-O 3.4Å; Q243-G283 WeakPolarHBondContact CB-O 3.47Å
244	G	93.4	Very high	93.1	Very high	16 Å²	16	38.6 Å²	38.6	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	16.5	170.4	0	0	0	0	0	115.6	C220 G283 G284 N285	C220-G244 WeakPolarHBondContact CA-O 3.35Å; G244-G283 PolarHBondContact N-O 2.99Å; G244-G284 WeakPolarHBondContact CA-O 3.44Å; G244-G284 PolarHBondContact N-O 3.1Å; G244-N285 PolarHBondContact N-OD1 3.49Å
245	N	95.5	Very high	92.8	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	-81.1	-34.8	176.5	-88.2	-69.3	0	0	0	112.3	V218 N221 I223 I242 Q243 L264 N285	V218-N245 PolarHBondContact O-ND2 3.44Å; N221-N245 VanDerWaalsContact C-OD1 3.27Å; N221-N245 WeakPolarHBondContact CA-OD1 3.36Å; N221-N245 WeakPolarHBondContact CB-OD1 3.45Å; N221-N245 PolarHBondContact N-OD1 2.97Å; I223-N245 HydrophobicContact CB-CB 4.3Å; I223-N245 VanDerWaalsContact CB-OD1 3.31Å; I223-N245 WeakPolarHBondContact CB-OD1 3.47Å; I223-N245 WeakPolarHBondContact CG1-OD1 3.46Å; I223-N245 PolarHBondContact N-OD1 2.94Å; I223-N245 VanDerWaalsContact N-OD1 3.14Å; I223-N245 WeakPolarHBondContact O-CB 3.34Å; I242-N245 PolarHBondContact O-ND2 2.87Å; Q243-N245 VanDerWaalsContact C-N 3.3Å; Q243-N245 PolarHBondContact O-N 2.85Å; N245-L264 HydrophobicContact CB-CD1 4.41Å; N245-N285 PolarHBondContact N-OD1 3.37Å
246	C	95.6	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-123.1	71.8	169.7	-70.3	0	0	0	0	110.1	C259 L264 G284 N285 S286	C246-C259 WeakPolarHBondContact CA-SG 3.45Å; C246-C259 HydrophobicContact CB-CB 3.65Å; C246-C259 WeakPolarHBondContact CB-SG 3.47Å; C246-C259 WeakPolarHBondContact SG-CB 3.32Å; C246-C259 CovalentContact SG-SG 2.03Å; C246-C259 PolarHBondContact SG-SG 3.03Å; C246-L264 HydrophobicContact CB-CB 4.13Å; C246-G284 CarbonylContact C-O 3.37Å; C246-N285 PolarHBondContact N-OD1 3.22Å; C246-N285 CarbonylContact O-C 3.31Å; C246-N285 WeakPolarHBondContact O-CA 3.42Å; C246-S286 WeakPolarHBondContact O-CB 3.3Å; C246-S286 PolarHBondContact O-N 3.05Å; C246-S286 PolarHBondContact O-OG 3.43Å
247	P	93.8	Very high	92.4	Very high	23 Å²	23	42 Å²	42	15%	0.149	24%	0.239	C	C	.	.			trans	-66.7	138.5	-166.2	29.8	-36.8	0	0	0	112.8	C249 C256 V257 G284	P247-C249 PolarHBondContact O-N 2.9Å; P247-C249 PolarHBondContact O-SG 2.9Å; P247-C249 VanDerWaalsContact O-SG 3.38Å; P247-C256 VanDerWaalsContact CB-SG 3.6Å; P247-C256 VanDerWaalsContact CG-SG 3.58Å; P247-V257 WeakPolarHBondContact CG-O 3.35Å; P247-G284 WeakPolarHBondContact CA-O 3.15Å
248	R	92.1	Very high	92.1	Very high	17 Å²	17	45.6 Å²	45.6	6%	0.064	26%	0.263	C	S	.	.			trans	-71.1	113.5	163.4	-179.9	176.9	176.9	164.2	0.5	108.2	E250 S286 F308 N309 F310 F335 Y337 L339	R248-E250 WeakPolarHBondContact CG-OE2 3.39Å; R248-E250 IonicContact NE-OE2 3.63Å; R248-E250 PolarHBondContact NE-OE2 1.99Å; R248-S286 PolarHBondContact N-OG 3.09Å; R248-F308 WeakPolarHBondContact CB-O 3.31Å; R248-N309 PolarHBondContact NH1-O 3.34Å; R248-F310 HydrophobicContact CB-CE2 4.49Å; R248-F310 HydrophobicContact CB-CZ 4.45Å; R248-F310 HydrophobicContact CG-CE1 4.19Å; R248-F310 HydrophobicContact CG-CE2 4.17Å; R248-F310 HydrophobicContact CG-CZ 3.68Å; R248-F310 VanDerWaalsContact CZ-CE1 3.48Å; R248-F335 PolarHBondContact NH1-O 3.2Å; R248-F335 VanDerWaalsContact NH1-O 3.08Å; R248-Y337 PolarHBondContact NH1-O 2.83Å; R248-Y337 VanDerWaalsContact NH2-CE1 3.28Å; R248-Y337 PolarHBondContact NH2-O 3.49Å; R248-L339 VanDerWaalsContact NH2-CD2 3.3Å
249	C	91.3	Very high	91.8	Very high	30 Å²	30	42.7 Å²	42.7	20%	0.203	25%	0.252	C	S	.	.			trans	-98.3	-5.9	-167.4	-66.3	0	0	0	0	115.1	P247 N251 A252 C256	P247-C249 PolarHBondContact O-N 2.9Å; P247-C249 PolarHBondContact O-SG 2.9Å; P247-C249 VanDerWaalsContact O-SG 3.38Å; C249-N251 PolarHBondContact O-N 2.77Å; C249-A252 WeakPolarHBondContact O-CB 3.26Å; C249-A252 PolarHBondContact O-N 2.61Å; C249-A252 VanDerWaalsContact O-N 3.14Å; C249-C256 WeakPolarHBondContact CA-SG 3.43Å; C249-C256 HydrophobicContact CB-CB 3.65Å; C249-C256 WeakPolarHBondContact CB-SG 3.23Å; C249-C256 WeakPolarHBondContact SG-CB 3.16Å; C249-C256 CovalentContact SG-SG 2.04Å; C249-C256 PolarHBondContact SG-SG 2.96Å
250	E	88.2	Confident	91.4	Very high	81 Å²	81	46 Å²	46	38%	0.379	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	127.1	178.6	-62.5	79	-163.3	0	0	110.8	R248 A252 L339	R248-E250 WeakPolarHBondContact CG-OE2 3.39Å; R248-E250 IonicContact NE-OE2 3.63Å; R248-E250 PolarHBondContact NE-OE2 1.99Å; E250-A252 PolarHBondContact O-N 2.93Å; E250-A252 VanDerWaalsContact O-N 3.17Å; E250-L339 HydrophobicContact CB-CD2 4.32Å; E250-L339 HydrophobicContact CG-CD1 4.23Å; E250-L339 HydrophobicContact CG-CD2 3.78Å
251	N	84.4	Confident	90.8	Very high	148 Å²	148	52.2 Å²	52.2	79%	0.791	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	18.6	-176.9	-54.1	-40.1	0	0	0	114.9	C249 P253	C249-N251 PolarHBondContact O-N 2.77Å; N251-P253 WeakPolarHBondContact O-CD 3.41Å
252	A	86.1	Confident	90.3	Very high	30 Å²	30	52.7 Å²	52.7	25%	0.248	32%	0.322	C	S	.	.			trans	-62.3	125.6	175.6	0	0	0	0	0	110.5	C249 E250 F254 C256	C249-A252 WeakPolarHBondContact O-CB 3.26Å; C249-A252 PolarHBondContact O-N 2.61Å; C249-A252 VanDerWaalsContact O-N 3.14Å; E250-A252 PolarHBondContact O-N 2.93Å; E250-A252 VanDerWaalsContact O-N 3.17Å; A252-F254 HydrophobicContact CB-CE1 4.2Å; A252-F254 HydrophobicContact CB-CE2 4.38Å; A252-F254 HydrophobicContact CB-CZ 4.11Å; A252-F254 PolarHBondContact O-N 3.41Å; A252-F254 VanDerWaalsContact O-N 3.09Å; A252-C256 HydrophobicContact CB-CB 3.76Å
253	P	85.8	Confident	90.2	Very high	87 Å²	87	54.6 Å²	54.6	57%	0.565	34%	0.336	S	S	*	.	S	Bend	trans	-78.3	15	-178.9	29.8	-33.5	0	0	0	113.9	N251 P449	N251-P253 WeakPolarHBondContact O-CD 3.41Å; P253-P449 HydrophobicContact CG-CG 3.85Å
254	F	84.5	Confident	90.2	Very high	57 Å²	57	54.2 Å²	54.2	25%	0.25	33%	0.334	C	S	.	.	S	Bend	trans	-145	161.1	-176.9	51.4	-86.8	0	0	0	110	Y171 A252 C256 F453	Y171-F254 HydrophobicContact CE1-CB 4.43Å; Y171-F254 HydrophobicContact CE2-CB 4.16Å; A252-F254 HydrophobicContact CB-CE1 4.2Å; A252-F254 HydrophobicContact CB-CE2 4.38Å; A252-F254 HydrophobicContact CB-CZ 4.11Å; A252-F254 PolarHBondContact O-N 3.41Å; A252-F254 VanDerWaalsContact O-N 3.09Å; F254-C256 HydrophobicContact CD2-CB 4.36Å; F254-C256 HydrophobicContact CE2-CB 4.15Å; F254-C256 PolarHBondContact O-N 2.84Å; F254-F453 HydrophobicContact CD1-CE2 4.17Å; F254-F453 HydrophobicContact CD1-CZ 4.24Å; F254-F453 HydrophobicContact CE1-CE1 4.5Å; F254-F453 AromaticContact CE1-CE2 3.53Å; F254-F453 HydrophobicContact CE1-CE2 3.53Å; F254-F453 AromaticContact CE1-CZ 3.32Å; F254-F453 HydrophobicContact CE1-CZ 3.32Å; F254-F453 AromaticContact CZ-CE2 3.8Å; F254-F453 HydrophobicContact CZ-CE2 3.8Å; F254-F453 AromaticContact CZ-CZ 3.73Å; F254-F453 HydrophobicContact CZ-CZ 3.73Å
255	P	88.4	Confident	90.4	Very high	99 Å²	99	54.4 Å²	54.4	64%	0.643	34%	0.336	S	S	*	.			trans	-55.9	113.9	173.3	-24.3	34.6	0	0	0	110.7	Y171	Y171-P255 HydrophobicContact CD2-CG 4.24Å
256	C	90.2	Very high	90.4	Very high	31 Å²	31	54.9 Å²	54.9	21%	0.209	34%	0.338	C	S	.	.			trans	-123.8	134.4	-175	-174.8	0	0	0	0	109.1	P247 C249 A252 F254	P247-C256 VanDerWaalsContact CB-SG 3.6Å; P247-C256 VanDerWaalsContact CG-SG 3.58Å; C249-C256 WeakPolarHBondContact CA-SG 3.43Å; C249-C256 HydrophobicContact CB-CB 3.65Å; C249-C256 WeakPolarHBondContact CB-SG 3.23Å; C249-C256 WeakPolarHBondContact SG-CB 3.16Å; C249-C256 CovalentContact SG-SG 2.04Å; C249-C256 PolarHBondContact SG-SG 2.96Å; A252-C256 HydrophobicContact CB-CB 3.76Å; F254-C256 HydrophobicContact CD2-CB 4.36Å; F254-C256 HydrophobicContact CE2-CB 4.15Å; F254-C256 PolarHBondContact O-N 2.84Å
257	V	90.3	Very high	90.5	Very high	104 Å²	104	56.5 Å²	56.5	63%	0.63	35%	0.347	S	S	*	.			trans	-125.3	113.3	178.7	-177.2	0	0	0	0	107.6	P247	P247-V257 WeakPolarHBondContact CG-O 3.35Å
258	P	91.7	Very high	90.6	Very high	77 Å²	77	58.1 Å²	58.1	50%	0.5	36%	0.358	S	S	.	.			trans	-71.6	160.6	177.7	30.8	-33.6	0	0	0	110.7
259	C	91.2	Very high	90.7	Very high	15 Å²	15	61 Å²	61	10%	0.101	37%	0.374	C	S	.	.			trans	-70.7	146.7	176.1	-79.7	0	0	0	0	111.8	C246 N261 G262	C246-C259 WeakPolarHBondContact CA-SG 3.45Å; C246-C259 HydrophobicContact CB-CB 3.65Å; C246-C259 WeakPolarHBondContact CB-SG 3.47Å; C246-C259 WeakPolarHBondContact SG-CB 3.32Å; C246-C259 CovalentContact SG-SG 2.03Å; C246-C259 PolarHBondContact SG-SG 3.03Å; C259-N261 VanDerWaalsContact C-N 3.28Å; C259-N261 PolarHBondContact O-N 3.06Å; C259-G262 PolarHBondContact O-N 3.35Å; C259-G262 VanDerWaalsContact O-N 3.08Å
260	P	89.9	Confident	90.9	Very high	103 Å²	103	59.9 Å²	59.9	67%	0.669	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-38.3	177.3	-24.8	33.8	0	0	0	113.8	G262	P260-G262 PolarHBondContact O-N 3.29Å
261	N	84.9	Confident	91.2	Very high	130 Å²	130	56.1 Å²	56.1	70%	0.695	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	11.1	-179.5	-65.6	-8.3	0	0	0	113.2	C259 S263	C259-N261 VanDerWaalsContact C-N 3.28Å; C259-N261 PolarHBondContact O-N 3.06Å; N261-S263 PolarHBondContact O-N 3.32Å
262	G	87.1	Confident	91.5	Very high	41 Å²	41	52.5 Å²	52.5	42%	0.423	33%	0.328	S	S	.	.	S	Bend	trans	77.4	-34.7	177.5	0	0	0	0	0	115.4	C259 P260 S286	C259-G262 PolarHBondContact O-N 3.35Å; C259-G262 VanDerWaalsContact O-N 3.08Å; P260-G262 PolarHBondContact O-N 3.29Å; G262-S286 WeakPolarHBondContact O-CB 3.22Å
263	S	94.7	Very high	91.7	Very high	42 Å²	42	54.1 Å²	54.1	29%	0.294	33%	0.332	S	S	.	.	S	Bend	trans	-141.5	164.2	-179.1	66.2	0	0	0	0	112.9	N261 G265 S286	N261-S263 PolarHBondContact O-N 3.32Å; S263-G265 PolarHBondContact O-N 3.23Å; S263-S286 WeakPolarHBondContact CB-O 3.22Å
264	L	96.1	Very high	92.1	Very high	4 Å²	4	50 Å²	50	2%	0.021	31%	0.306	C	S	.	.			trans	-71.3	122	172	179.4	67.5	0	0	0	110.4	I223 I226 I242 N245 C246 I266 N285 L287	I223-L264 WeakPolarHBondContact O-CD1 3.36Å; I226-L264 HydrophobicContact CD1-CD2 4.14Å; I226-L264 HydrophobicContact CG1-CD1 4.48Å; I242-L264 HydrophobicContact CD1-CD2 4.05Å; N245-L264 HydrophobicContact CB-CD1 4.41Å; C246-L264 HydrophobicContact CB-CB 4.13Å; L264-I266 HydrophobicContact CD2-CD1 4.06Å; L264-I266 HydrophobicContact CD2-CG1 4.15Å; L264-I266 HydrophobicContact CG-CD1 4.45Å; L264-I266 HydrophobicContact CG-CG1 4.06Å; L264-N285 HydrophobicContact CB-CB 3.91Å; L264-N285 HydrophobicContact CD2-CB 4.07Å; L264-N285 PolarHBondContact N-O 3.49Å; L264-N285 VanDerWaalsContact N-O 3.1Å; L264-L287 HydrophobicContact CB-CD2 4.31Å
265	G	96.3	Very high	92.5	Very high	19 Å²	19	50 Å²	50	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.7	171.3	0	0	0	0	0	111.7	Q224 Y225 I226 S263	Q224-G265 PolarHBondContact O-N 3.14Å; Y225-G265 CarbonylContact C-O 3.16Å; Y225-G265 VanDerWaalsContact CA-O 3.28Å; Y225-G265 WeakPolarHBondContact CA-O 3.45Å; I226-G265 PolarHBondContact N-O 2.87Å; S263-G265 PolarHBondContact O-N 3.23Å
266	I	96.8	Very high	92.9	Very high	14 Å²	14	48 Å²	48	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	125.3	177.1	-52.8	176.3	0	0	0	108.2	I226 I242 L264 A270 F271 M282 W294	I226-I266 HydrophobicContact CB-CG1 4.47Å; I226-I266 HydrophobicContact CB-CG2 4.43Å; I226-I266 HydrophobicContact CD1-CG1 4.45Å; I242-I266 HydrophobicContact CD1-CD1 4.15Å; L264-I266 HydrophobicContact CD2-CD1 4.06Å; L264-I266 HydrophobicContact CD2-CG1 4.15Å; L264-I266 HydrophobicContact CG-CD1 4.45Å; L264-I266 HydrophobicContact CG-CG1 4.06Å; I266-A270 HydrophobicContact CG2-CB 3.67Å; I266-F271 HydrophobicContact CD1-CZ 4.29Å; I266-F271 HydrophobicContact CG2-CE1 4.41Å; I266-F271 HydrophobicContact CG2-CE2 4.26Å; I266-F271 HydrophobicContact CG2-CZ 3.91Å; I266-M282 HydrophobicContact CD1-SD 4.45Å; I266-W294 HydrophobicContact CB-CH2 4.38Å; I266-W294 HydrophobicContact CB-CZ2 3.7Å; I266-W294 HydrophobicContact CD1-CH2 4.28Å; I266-W294 HydrophobicContact CD1-CZ2 4.38Å; I266-W294 HydrophobicContact CG1-CZ2 4.45Å; I266-W294 HydrophobicContact CG2-CZ2 4.23Å
267	D	96.7	Very high	93.2	Very high	34 Å²	34	46.5 Å²	46.5	18%	0.182	28%	0.284	C	S	.	.			trans	-56.6	143.5	175	-88	-22.8	0	0	0	111.4	Y225 I226 F227 R228 D269 A270 W294	Y225-D267 PolarHBondContact OH-OD1 2.95Å; I226-D267 PolarHBondContact O-N 3.43Å; F227-D267 VanDerWaalsContact CA-OD2 3.28Å; F227-D267 WeakPolarHBondContact CA-OD2 3.27Å; R228-D267 HydrophobicContact CB-CB 4.5Å; R228-D267 PolarHBondContact N-OD2 2.65Å; D267-D269 PolarHBondContact O-N 3.2Å; D267-A270 HydrophobicContact CB-CB 4.1Å; D267-A270 VanDerWaalsContact O-CB 3.26Å; D267-A270 WeakPolarHBondContact O-CB 2.91Å; D267-A270 PolarHBondContact O-N 2.66Å; D267-A270 VanDerWaalsContact O-N 3.1Å; D267-W294 PolarHBondContact O-NE1 3.28Å; D267-W294 VanDerWaalsContact O-NE1 3.15Å
268	P	95.3	Very high	93.6	Very high	58 Å²	58	44.7 Å²	44.7	38%	0.377	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.3	177	-27.1	35.6	0	0	0	113.7	S293	P268-S293 PolarHBondContact O-OG 2.82Å
269	D	94.8	Very high	93.9	Very high	78 Å²	78	42.4 Å²	42.4	42%	0.417	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	11.5	-177.3	-55	-41.9	0	0	0	112.9	R228 D267 F271 E272	R228-D269 HydrophobicContact CG-CB 4.37Å; D267-D269 PolarHBondContact O-N 3.2Å; D269-F271 PolarHBondContact O-N 3.36Å; D269-E272 HydrophobicContact CB-CB 4.33Å; D269-E272 VanDerWaalsContact O-CB 3.26Å; D269-E272 WeakPolarHBondContact O-CB 3.32Å; D269-E272 PolarHBondContact O-N 3.45Å; D269-E272 VanDerWaalsContact O-N 3.15Å
270	A	95.3	Very high	94.2	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.1	-176	0	0	0	0	0	114	I226 I266 D267	I226-A270 HydrophobicContact CG2-CB 4.37Å; I266-A270 HydrophobicContact CG2-CB 3.67Å; D267-A270 HydrophobicContact CB-CB 4.1Å; D267-A270 VanDerWaalsContact O-CB 3.26Å; D267-A270 WeakPolarHBondContact O-CB 2.91Å; D267-A270 PolarHBondContact O-N 2.66Å; D267-A270 VanDerWaalsContact O-N 3.1Å
271	F	95.6	Very high	94.5	Very high	2 Å²	2	37 Å²	37	1%	0.009	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9.5	-178.4	-51.2	-36.3	0	0	0	113.4	L231 L240 I242 I266 D269 N273 L274 I280 M282 W294 L298	L231-F271 HydrophobicContact CD1-CD1 3.81Å; L231-F271 HydrophobicContact CD1-CE1 3.7Å; L240-F271 HydrophobicContact CD2-CD1 4.28Å; L240-F271 HydrophobicContact CD2-CE1 3.86Å; I242-F271 HydrophobicContact CD1-CZ 4.44Å; I266-F271 HydrophobicContact CD1-CZ 4.29Å; I266-F271 HydrophobicContact CG2-CE1 4.41Å; I266-F271 HydrophobicContact CG2-CE2 4.26Å; I266-F271 HydrophobicContact CG2-CZ 3.91Å; D269-F271 PolarHBondContact O-N 3.36Å; F271-N273 PolarHBondContact O-N 3.02Å; F271-N273 VanDerWaalsContact O-N 3.14Å; F271-L274 HydrophobicContact CB-CD1 4.11Å; F271-L274 HydrophobicContact CD1-CD1 3.78Å; F271-L274 HydrophobicContact CG-CD1 4.3Å; F271-L274 PolarHBondContact O-N 3.1Å; F271-L274 VanDerWaalsContact O-N 3.13Å; F271-I280 HydrophobicContact CD2-CD1 4.26Å; F271-I280 HydrophobicContact CE1-CD1 4.34Å; F271-I280 HydrophobicContact CE2-CD1 3.79Å; F271-I280 HydrophobicContact CZ-CD1 3.84Å; F271-M282 HydrophobicContact CE2-SD 4.06Å; F271-M282 HydrophobicContact CZ-SD 4.23Å; F271-W294 HydrophobicContact CD2-CB 3.75Å; F271-W294 HydrophobicContact CD2-CG 4.08Å; F271-W294 HydrophobicContact CE2-CB 4.14Å; F271-W294 HydrophobicContact CE2-CD2 4.44Å; F271-W294 HydrophobicContact CE2-CG 4.14Å; F271-L298 HydrophobicContact CB-CD2 4.4Å
272	E	90.9	Very high	95.1	Very high	73 Å²	73	30.9 Å²	30.9	34%	0.341	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-38.7	-172.8	-173.9	-178.2	-161.7	0	0	112.9	R228 D269 N297	R228-E272 IonicContact CZ-OE2 3.72Å; R228-E272 IonicContact NE-OE2 2.74Å; R228-E272 IonicContact NH2-OE2 3Å; R228-E272 PolarHBondContact NH2-OE2 3.24Å; D269-E272 HydrophobicContact CB-CB 4.33Å; D269-E272 VanDerWaalsContact O-CB 3.26Å; D269-E272 WeakPolarHBondContact O-CB 3.32Å; D269-E272 PolarHBondContact O-N 3.45Å; D269-E272 VanDerWaalsContact O-N 3.15Å; E272-N297 PolarHBondContact O-ND2 3.44Å
273	N	89.4	Confident	95.4	Very high	64 Å²	64	29 Å²	29	34%	0.342	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.3	-174.7	-69	-18.4	0	0	0	114.5	N235 F271 S275	N235-N273 PolarHBondContact OD1-O 3.2Å; F271-N273 PolarHBondContact O-N 3.02Å; F271-N273 VanDerWaalsContact O-N 3.14Å; N273-S275 VanDerWaalsContact C-N 3.31Å; N273-S275 PolarHBondContact O-N 2.65Å; N273-S275 VanDerWaalsContact O-N 3.13Å
274	L	94.9	Very high	95.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.157	C	C	.	.			trans	-90.5	51.9	-172.2	-53.5	-178.2	0	0	0	112.6	L231 L234 L237 L240 F271 E276 L277 L298	L231-L274 HydrophobicContact CD1-CD1 4.32Å; L234-L274 HydrophobicContact CB-CD2 4.01Å; L234-L274 WeakPolarHBondContact O-CD2 3.4Å; L237-L274 HydrophobicContact CB-CD2 4.25Å; L237-L274 HydrophobicContact CD2-CD1 4.34Å; L237-L274 HydrophobicContact CD2-CD2 4.16Å; L240-L274 HydrophobicContact CD2-CD1 4.14Å; F271-L274 HydrophobicContact CB-CD1 4.11Å; F271-L274 HydrophobicContact CD1-CD1 3.78Å; F271-L274 HydrophobicContact CG-CD1 4.3Å; F271-L274 PolarHBondContact O-N 3.1Å; F271-L274 VanDerWaalsContact O-N 3.13Å; L274-E276 PolarHBondContact O-N 3.27Å; L274-L277 HydrophobicContact CB-CB 4.29Å; L274-L277 HydrophobicContact CD1-CD2 4.44Å; L274-L277 VanDerWaalsContact O-CB 3.31Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 3.14Å; L274-L298 HydrophobicContact CB-CD2 4.03Å; L274-L298 WeakPolarHBondContact O-CD2 3.49Å
275	S	92.1	Very high	95.3	Very high	56 Å²	56	27.4 Å²	27.4	39%	0.392	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.5	-172.3	57.8	0	0	0	0	115	N273	N273-S275 VanDerWaalsContact C-N 3.31Å; N273-S275 PolarHBondContact O-N 2.65Å; N273-S275 VanDerWaalsContact O-N 3.13Å
276	E	96.3	Very high	95.3	Very high	57 Å²	57	26.7 Å²	26.7	27%	0.266	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.5	179.2	-65.2	-61.2	123.1	0	0	113.8	N235 L237 L274 E278 K300	N235-E276 WeakPolarHBondContact O-CB 3.45Å; N235-E276 WeakPolarHBondContact O-CG 3.44Å; L237-E276 CarbonylContact O-C 3.1Å; L237-E276 VanDerWaalsContact O-C 3.25Å; L274-E276 PolarHBondContact O-N 3.27Å; E276-E278 PolarHBondContact O-N 2.98Å; E276-K300 IonicContact OE1-NZ 2.78Å; E276-K300 PolarHBondContact OE1-NZ 2.85Å; E276-K300 IonicContact OE2-NZ 3.45Å; E276-K300 PolarHBondContact OE2-NZ 3.47Å
277	L	97.6	Very high	95.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.			trans	-65.3	122.7	-174.2	-157.2	71.8	0	0	0	111.3	L237 L240 L274 I280 L298 K300 L301	L237-L277 HydrophobicContact CB-CD1 4.48Å; L237-L277 HydrophobicContact CD2-CD1 4.18Å; L237-L277 HydrophobicContact CG-CD1 4.14Å; L237-L277 VanDerWaalsContact O-CA 3.26Å; L237-L277 WeakPolarHBondContact O-CA 3.39Å; L237-L277 PolarHBondContact O-N 3.21Å; L237-L277 VanDerWaalsContact O-N 3.13Å; L240-L277 HydrophobicContact CB-CD1 3.88Å; L274-L277 HydrophobicContact CB-CB 4.29Å; L274-L277 HydrophobicContact CD1-CD2 4.44Å; L274-L277 VanDerWaalsContact O-CB 3.31Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 3.14Å; L277-I280 HydrophobicContact CD2-CB 3.97Å; L277-I280 HydrophobicContact CD2-CD1 4.17Å; L277-I280 HydrophobicContact CD2-CG1 4.34Å; L277-L298 HydrophobicContact CB-CD2 4.2Å; L277-L298 HydrophobicContact CD2-CD1 4.2Å; L277-L298 HydrophobicContact CD2-CD2 4.29Å; L277-K300 CarbonylContact O-C 3.16Å; L277-L301 HydrophobicContact CD2-CD1 4.28Å; L277-L301 HydrophobicContact CG-CD1 4.28Å; L277-L301 VanDerWaalsContact O-CA 3.3Å; L277-L301 WeakPolarHBondContact O-CA 3.18Å; L277-L301 PolarHBondContact O-N 3.14Å; L277-L301 VanDerWaalsContact O-N 3.08Å
278	E	97.8	Very high	95.2	Very high	65 Å²	65	30.9 Å²	30.9	30%	0.304	17%	0.165	S	C	.	.			trans	-102.4	-33	177.6	-62	-167.6	-147.3	0	0	111.7	K238 E276 K302 H303	K238-E278 PolarHBondContact O-N 3.46Å; E276-E278 PolarHBondContact O-N 2.98Å; E278-K302 PolarHBondContact O-N 2.99Å; E278-K302 IonicContact OE2-NZ 3.78Å; E278-K302 PolarHBondContact OE2-NZ 3.44Å; E278-H303 PolarHBondContact O-N 3.15Å
279	E	97.9	Very high	95.2	Very high	29 Å²	29	33.7 Å²	33.7	14%	0.136	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.7	-179.8	177.9	170.6	131.6	0	0	112	K238 L239 L240 H303	K238-E279 PolarHBondContact O-N 3.27Å; L239-E279 WeakPolarHBondContact CA-O 3.4Å; L239-E279 HydrophobicContact CG-CB 4.22Å; L239-E279 HydrophobicContact CG-CG 4.38Å; L240-E279 PolarHBondContact N-O 3.41Å; E279-H303 WeakPolarHBondContact CA-O 3.41Å; E279-H303 HydrophobicContact CB-CB 3.96Å; E279-H303 HydrophobicContact CG-CB 3.75Å; E279-H303 IonicContact OE2-CE1 2.7Å; E279-H303 IonicContact OE2-CG 3.88Å; E279-H303 IonicContact OE2-ND1 3.95Å; E279-H303 PolarHBondContact OE2-ND1 2.67Å
280	I	97.4	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.6	170.3	-164.7	173.8	0	0	0	110.8	L240 F271 L277 M282 L301 H303 L304 L305	L240-I280 HydrophobicContact CB-CG1 4.29Å; L240-I280 HydrophobicContact CD2-CD1 4.16Å; L240-I280 HydrophobicContact CD2-CG1 4.39Å; L240-I280 HydrophobicContact CG-CG1 4.45Å; L240-I280 WeakPolarHBondContact O-CA 2.92Å; F271-I280 HydrophobicContact CD2-CD1 4.26Å; F271-I280 HydrophobicContact CE1-CD1 4.34Å; F271-I280 HydrophobicContact CE2-CD1 3.79Å; F271-I280 HydrophobicContact CZ-CD1 3.84Å; L277-I280 HydrophobicContact CD2-CB 3.97Å; L277-I280 HydrophobicContact CD2-CD1 4.17Å; L277-I280 HydrophobicContact CD2-CG1 4.34Å; I280-M282 HydrophobicContact CD1-CE 4.22Å; I280-M282 HydrophobicContact CD1-CG 3.91Å; I280-M282 HydrophobicContact CD1-SD 3.65Å; I280-M282 HydrophobicContact CG1-CG 3.79Å; I280-M282 HydrophobicContact CG1-SD 4.21Å; I280-M282 HydrophobicContact CG2-CE 4.34Å; I280-L301 HydrophobicContact CB-CD1 4.28Å; I280-L301 HydrophobicContact CG2-CD1 3.96Å; I280-L301 HydrophobicContact CG2-CD2 4.16Å; I280-H303 PolarHBondContact N-O 3.27Å; I280-H303 VanDerWaalsContact N-O 3.08Å; I280-L304 HydrophobicContact CG2-CD1 3.4Å; I280-L304 VanDerWaalsContact CG2-CD1 3.4Å; I280-L305 PolarHBondContact O-N 3.44Å
281	N	97.3	Very high	95.3	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.032	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.9	174.2	-167.8	-17.7	0	0	0	110.9	L240 K241 I242 Q243 G283 L305	L240-N281 PolarHBondContact O-N 2.78Å; K241-N281 HydrophobicContact CG-CB 4.01Å; I242-N281 VanDerWaalsContact CG1-O 3.28Å; I242-N281 WeakPolarHBondContact CG1-O 3.26Å; I242-N281 PolarHBondContact N-O 3.29Å; Q243-N281 WeakPolarHBondContact CB-OD1 3.27Å; Q243-N281 PolarHBondContact N-O 3.48Å; N281-G283 PolarHBondContact OD1-N 3.27Å; N281-L305 HydrophobicContact CB-CB 4.13Å; N281-L305 HydrophobicContact CB-CD1 4.07Å
282	M	96	Very high	95.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.			trans	-119.7	21.9	179.3	-48.2	-170.2	-79.7	0	0	111.6	I242 I266 F271 I280 N285 L287 F295 L304 L305 L306 N309	I242-M282 HydrophobicContact CD1-CB 4.32Å; I242-M282 HydrophobicContact CD1-CG 3.78Å; I242-M282 HydrophobicContact CD1-SD 4.17Å; I242-M282 HydrophobicContact CG1-CB 4.28Å; I242-M282 HydrophobicContact CG1-CG 3.9Å; I266-M282 HydrophobicContact CD1-SD 4.45Å; F271-M282 HydrophobicContact CE2-SD 4.06Å; F271-M282 HydrophobicContact CZ-SD 4.23Å; I280-M282 HydrophobicContact CD1-CE 4.22Å; I280-M282 HydrophobicContact CD1-CG 3.91Å; I280-M282 HydrophobicContact CD1-SD 3.65Å; I280-M282 HydrophobicContact CG1-CG 3.79Å; I280-M282 HydrophobicContact CG1-SD 4.21Å; I280-M282 HydrophobicContact CG2-CE 4.34Å; M282-N285 PolarHBondContact O-ND2 2.84Å; M282-L287 HydrophobicContact CB-CD1 4.14Å; M282-F295 HydrophobicContact CE-CE1 4.07Å; M282-F295 HydrophobicContact CE-CZ 3.83Å; M282-L304 HydrophobicContact CE-CD1 3.81Å; M282-L305 PolarHBondContact N-O 3.21Å; M282-L306 HydrophobicContact CB-CD2 4.28Å; M282-L306 HydrophobicContact CE-CD2 3.74Å; M282-N309 PolarHBondContact O-ND2 3.33Å
283	G	94.7	Very high	95.5	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	16%	0.159	C	C	.	.			trans	-63.2	157.8	178.1	0	0	0	0	0	113.1	Q243 G244 N281 N285 L305 S307	Q243-G283 CarbonylContact C-O 3.58Å; Q243-G283 WeakPolarHBondContact CA-O 3.4Å; Q243-G283 WeakPolarHBondContact CB-O 3.47Å; G244-G283 PolarHBondContact N-O 2.99Å; N281-G283 PolarHBondContact OD1-N 3.27Å; G283-N285 VanDerWaalsContact C-N 3.26Å; G283-N285 PolarHBondContact O-N 3.48Å; G283-L305 PolarHBondContact N-O 3.24Å; G283-S307 CarbonylContact C-O 3.44Å; G283-S307 VanDerWaalsContact C-O 3.31Å; G283-S307 WeakPolarHBondContact CA-O 3.39Å
284	G	92.8	Very high	95.8	Very high	12 Å²	12	28.4 Å²	28.4	12%	0.124	15%	0.145	C	C	.	.	S	Bend	trans	57.7	37.4	172.7	0	0	0	0	0	113.5	G244 C246 P247 S307 F308	G244-G284 WeakPolarHBondContact CA-O 3.44Å; G244-G284 PolarHBondContact N-O 3.1Å; C246-G284 CarbonylContact C-O 3.37Å; P247-G284 WeakPolarHBondContact CA-O 3.15Å; G284-S307 PolarHBondContact N-O 2.86Å; G284-F308 VanDerWaalsContact CA-O 3.27Å; G284-F308 WeakPolarHBondContact CA-O 3.26Å; G284-F308 PolarHBondContact N-O 2.86Å
285	N	96.5	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-117.6	11.3	179.4	-78.1	-35.3	0	0	0	112.5	I242 G244 N245 C246 L264 M282 G283 L287 N309	I242-N285 PolarHBondContact O-ND2 2.67Å; I242-N285 PolarHBondContact O-OD1 3.31Å; G244-N285 PolarHBondContact N-OD1 3.49Å; N245-N285 PolarHBondContact N-OD1 3.37Å; C246-N285 PolarHBondContact N-OD1 3.22Å; C246-N285 CarbonylContact O-C 3.31Å; C246-N285 WeakPolarHBondContact O-CA 3.42Å; L264-N285 HydrophobicContact CB-CB 3.91Å; L264-N285 HydrophobicContact CD2-CB 4.07Å; L264-N285 PolarHBondContact N-O 3.49Å; L264-N285 VanDerWaalsContact N-O 3.1Å; M282-N285 PolarHBondContact O-ND2 2.84Å; G283-N285 VanDerWaalsContact C-N 3.26Å; G283-N285 PolarHBondContact O-N 3.48Å; N285-L287 HydrophobicContact CB-CD1 4.31Å; N285-L287 HydrophobicContact CB-CD2 4.45Å; N285-L287 HydrophobicContact CB-CG 3.97Å; N285-L287 PolarHBondContact O-N 3.23Å; N285-L287 VanDerWaalsContact O-N 3.15Å; N285-N309 VanDerWaalsContact C-OD1 3.26Å; N285-N309 WeakPolarHBondContact CA-OD1 3.48Å; N285-N309 PolarHBondContact N-OD1 3.47Å
286	S	96	Very high	96	Very high	3 Å²	3	32 Å²	32	2%	0.021	15%	0.154	C	C	.	.			trans	54.3	31.2	178.6	-55.4	0	0	0	0	113.1	C246 R248 G262 S263 N309	C246-S286 WeakPolarHBondContact O-CB 3.3Å; C246-S286 PolarHBondContact O-N 3.05Å; C246-S286 PolarHBondContact O-OG 3.43Å; R248-S286 PolarHBondContact N-OG 3.09Å; G262-S286 WeakPolarHBondContact O-CB 3.22Å; S263-S286 WeakPolarHBondContact CB-O 3.22Å; S286-N309 PolarHBondContact N-OD1 3.5Å
287	L	96.1	Very high	95.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.157	C	C	.	.			trans	-69.5	131	-179.1	-60.3	172.2	0	0	0	110.9	L264 M282 N285 L290 N309 F310 L311	L264-L287 HydrophobicContact CB-CD2 4.31Å; M282-L287 HydrophobicContact CB-CD1 4.14Å; N285-L287 HydrophobicContact CB-CD1 4.31Å; N285-L287 HydrophobicContact CB-CD2 4.45Å; N285-L287 HydrophobicContact CB-CG 3.97Å; N285-L287 PolarHBondContact O-N 3.23Å; N285-L287 VanDerWaalsContact O-N 3.15Å; L287-L290 HydrophobicContact CD1-CD2 4.06Å; L287-N309 HydrophobicContact CB-CB 4.13Å; L287-N309 PolarHBondContact N-OD1 3.29Å; L287-N309 WeakPolarHBondContact O-CB 3.29Å; L287-F310 CarbonylContact O-C 3.53Å; L287-F310 WeakPolarHBondContact O-CA 3.4Å; L287-F310 PolarHBondContact O-N 2.99Å; L287-L311 HydrophobicContact CB-CD2 4.21Å; L287-L311 WeakPolarHBondContact O-CD2 3.17Å
288	E	94.4	Very high	95.6	Very high	132 Å²	132	32.3 Å²	32.3	62%	0.617	16%	0.158	S	C	*	.	S	Bend	trans	-101.6	-24.2	174.3	-69.5	-177.2	-154.2	0	0	112.8	F310	E288-F310 HydrophobicContact CG-CB 3.83Å
289	Y	94.8	Very high	95.3	Very high	117 Å²	117	38.2 Å²	38.2	46%	0.459	18%	0.177	S	C	.	.			trans	-138.9	145.2	-176.1	173.3	-107.4	0	0	0	110.3	N291 P292 E314	Y289-N291 HydrophobicContact CE1-CB 3.94Å; Y289-P292 WeakPolarHBondContact OH-CD 3.37Å; Y289-E314 WeakPolarHBondContact CD2-OE2 3.43Å
290	L	96.3	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.189	C	C	.	.			trans	-113.6	113.4	174.7	-63.4	179	0	0	0	109.4	L287 P292 W294 F295 L306 L311 F321	L287-L290 HydrophobicContact CD1-CD2 4.06Å; L290-P292 WeakPolarHBondContact O-CD 3.48Å; L290-W294 HydrophobicContact CB-CZ3 4.36Å; L290-W294 HydrophobicContact CD2-CE3 4.41Å; L290-W294 HydrophobicContact CD2-CZ3 3.8Å; L290-F295 HydrophobicContact CB-CE2 4.26Å; L290-L306 HydrophobicContact CD1-CD1 3.66Å; L290-L306 HydrophobicContact CD1-CD2 4.08Å; L290-L306 HydrophobicContact CD2-CD2 4.04Å; L290-L311 HydrophobicContact CD1-CD1 4.14Å; L290-L311 HydrophobicContact CD1-CD2 4.36Å; L290-L311 HydrophobicContact CD2-CD1 4.42Å; L290-L311 HydrophobicContact CD2-CD2 4.16Å; L290-L311 HydrophobicContact CG-CD1 4.38Å; L290-L311 HydrophobicContact CG-CD2 3.86Å; L290-F321 HydrophobicContact CB-CB 4.43Å; L290-F321 HydrophobicContact CB-CD1 3.96Å; L290-F321 HydrophobicContact CB-CE1 4.43Å; L290-F321 HydrophobicContact CB-CG 4.1Å; L290-F321 HydrophobicContact CD1-CD1 4.04Å; L290-F321 HydrophobicContact CD1-CD2 4.04Å; L290-F321 HydrophobicContact CD1-CE1 3.77Å; L290-F321 HydrophobicContact CD1-CE2 3.74Å; L290-F321 HydrophobicContact CD1-CG 4.19Å; L290-F321 HydrophobicContact CD1-CZ 3.61Å
291	N	96.1	Very high	95.3	Very high	41 Å²	41	41.1 Å²	41.1	22%	0.219	19%	0.189	C	C	.	.			trans	-70.1	122.6	-179.4	-169.1	-30.9	0	0	0	110.1	Y289 S293 W294	Y289-N291 HydrophobicContact CE1-CB 3.94Å; N291-S293 PolarHBondContact ND2-OG 3.36Å; N291-S293 PolarHBondContact O-N 3.47Å; N291-S293 VanDerWaalsContact O-N 3.15Å; N291-S293 WeakPolarHBondContact OD1-CB 3.16Å; N291-S293 PolarHBondContact OD1-N 3.07Å; N291-S293 VanDerWaalsContact OD1-N 3.09Å; N291-S293 PolarHBondContact OD1-OG 2.78Å; N291-W294 HydrophobicContact CB-CD2 3.71Å; N291-W294 VanDerWaalsContact CB-CE2 3.49Å; N291-W294 HydrophobicContact CB-CE3 4.22Å; N291-W294 HydrophobicContact CB-CG 4.09Å; N291-W294 HydrophobicContact CB-CH2 4.26Å; N291-W294 HydrophobicContact CB-CZ2 3.76Å; N291-W294 HydrophobicContact CB-CZ3 4.48Å; N291-W294 VanDerWaalsContact O-CB 3.28Å; N291-W294 WeakPolarHBondContact O-CB 3.47Å; N291-W294 PolarHBondContact O-N 3.3Å; N291-W294 VanDerWaalsContact O-N 3.15Å
292	P	95.7	Very high	95.3	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.084	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.4	-25.5	-178.2	-23.1	32.3	0	0	0	114	Y289 L290 W294 F295 E320 Y324	Y289-P292 WeakPolarHBondContact OH-CD 3.37Å; L290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-W294 PolarHBondContact O-N 3.3Å; P292-F295 PolarHBondContact O-N 2.97Å; P292-E320 HydrophobicContact CG-CB 3.85Å; P292-Y324 HydrophobicContact CB-CD2 4.16Å; P292-Y324 HydrophobicContact CB-CE2 3.66Å
293	S	95.5	Very high	95.3	Very high	40 Å²	40	47.2 Å²	47.2	28%	0.28	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-58.9	-33.3	176.6	55.8	0	0	0	0	113.1	P268 N291 F295 K296	P268-S293 PolarHBondContact O-OG 2.82Å; N291-S293 PolarHBondContact ND2-OG 3.36Å; N291-S293 PolarHBondContact O-N 3.47Å; N291-S293 VanDerWaalsContact O-N 3.15Å; N291-S293 WeakPolarHBondContact OD1-CB 3.16Å; N291-S293 PolarHBondContact OD1-N 3.07Å; N291-S293 VanDerWaalsContact OD1-N 3.09Å; N291-S293 PolarHBondContact OD1-OG 2.78Å; S293-F295 PolarHBondContact O-N 2.95Å; S293-F295 VanDerWaalsContact O-N 3.11Å; S293-K296 WeakPolarHBondContact O-CB 3.34Å; S293-K296 PolarHBondContact O-N 3.19Å
294	W	96.6	Very high	95.5	Very high	17 Å²	17	47.1 Å²	47.1	6%	0.064	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-55.7	-30.5	177.7	-65.5	-15.9	0	0	0	113.6	I266 D267 F271 L290 N291 P292 L298	I266-W294 HydrophobicContact CB-CH2 4.38Å; I266-W294 HydrophobicContact CB-CZ2 3.7Å; I266-W294 HydrophobicContact CD1-CH2 4.28Å; I266-W294 HydrophobicContact CD1-CZ2 4.38Å; I266-W294 HydrophobicContact CG1-CZ2 4.45Å; I266-W294 HydrophobicContact CG2-CZ2 4.23Å; D267-W294 PolarHBondContact O-NE1 3.28Å; D267-W294 VanDerWaalsContact O-NE1 3.15Å; F271-W294 HydrophobicContact CD2-CB 3.75Å; F271-W294 HydrophobicContact CD2-CG 4.08Å; F271-W294 HydrophobicContact CE2-CB 4.14Å; F271-W294 HydrophobicContact CE2-CD2 4.44Å; F271-W294 HydrophobicContact CE2-CG 4.14Å; L290-W294 HydrophobicContact CB-CZ3 4.36Å; L290-W294 HydrophobicContact CD2-CE3 4.41Å; L290-W294 HydrophobicContact CD2-CZ3 3.8Å; N291-W294 HydrophobicContact CB-CD2 3.71Å; N291-W294 VanDerWaalsContact CB-CE2 3.49Å; N291-W294 HydrophobicContact CB-CE3 4.22Å; N291-W294 HydrophobicContact CB-CG 4.09Å; N291-W294 HydrophobicContact CB-CH2 4.26Å; N291-W294 HydrophobicContact CB-CZ2 3.76Å; N291-W294 HydrophobicContact CB-CZ3 4.48Å; N291-W294 VanDerWaalsContact O-CB 3.28Å; N291-W294 WeakPolarHBondContact O-CB 3.47Å; N291-W294 PolarHBondContact O-N 3.3Å; N291-W294 VanDerWaalsContact O-N 3.15Å; P292-W294 PolarHBondContact O-N 3.3Å; W294-L298 VanDerWaalsContact O-CD1 3.28Å; W294-L298 WeakPolarHBondContact O-CD1 3.2Å; W294-L298 WeakPolarHBondContact O-CG 3.42Å
295	F	96.2	Very high	95.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-104.7	-7.8	-172.5	-53.8	-79.5	0	0	0	113.4	M282 L290 P292 S293 N297 L298 L301 L304 F321 L325	M282-F295 HydrophobicContact CE-CE1 4.07Å; M282-F295 HydrophobicContact CE-CZ 3.83Å; L290-F295 HydrophobicContact CB-CE2 4.26Å; P292-F295 PolarHBondContact O-N 2.97Å; S293-F295 PolarHBondContact O-N 2.95Å; S293-F295 VanDerWaalsContact O-N 3.11Å; F295-N297 VanDerWaalsContact C-N 3.29Å; F295-N297 PolarHBondContact O-N 2.87Å; F295-L298 HydrophobicContact CD1-CD1 4.17Å; F295-L298 PolarHBondContact O-N 3.14Å; F295-L298 VanDerWaalsContact O-N 3.17Å; F295-L301 HydrophobicContact CD1-CD2 4.24Å; F295-L304 HydrophobicContact CE1-CD1 3.93Å; F295-L304 HydrophobicContact CE1-CD2 3.94Å; F295-L304 HydrophobicContact CZ-CD1 4.44Å; F295-L304 HydrophobicContact CZ-CD2 4.32Å; F295-F321 HydrophobicContact CD2-CB 3.63Å; F295-F321 HydrophobicContact CD2-CD2 4.37Å; F295-F321 HydrophobicContact CD2-CG 4.44Å; F295-F321 HydrophobicContact CE2-CB 3.71Å; F295-F321 HydrophobicContact CE2-CD2 4.02Å; F295-F321 HydrophobicContact CE2-CG 4.15Å; F295-F321 HydrophobicContact CZ-CD2 4.31Å; F295-L325 HydrophobicContact CB-CD2 4Å; F295-L325 HydrophobicContact CB-CG 4.27Å; F295-L325 HydrophobicContact CD1-CD1 4.01Å; F295-L325 HydrophobicContact CD1-CD2 4.03Å; F295-L325 HydrophobicContact CD1-CG 4.42Å; F295-L325 HydrophobicContact CE1-CD1 4.42Å; F295-L325 HydrophobicContact CG-CD1 4.28Å; F295-L325 HydrophobicContact CG-CD2 4.33Å; F295-L325 HydrophobicContact CG-CG 4.47Å
296	K	93.6	Very high	95.7	Very high	132 Å²	132	47.3 Å²	47.3	57%	0.574	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-38.4	-171.6	-174.2	-178.8	176.9	-173.8	0	113.8	S293 Y324	S293-K296 WeakPolarHBondContact O-CB 3.34Å; S293-K296 PolarHBondContact O-N 3.19Å; K296-Y324 HydrophobicContact CB-CD1 4.29Å; K296-Y324 HydrophobicContact CB-CE1 4.35Å; K296-Y324 HydrophobicContact CG-CD1 4.3Å; K296-Y324 HydrophobicContact CG-CE1 4.07Å
297	N	92	Very high	95.6	Very high	61 Å²	61	47.4 Å²	47.4	33%	0.326	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-5.8	-177.7	-69.7	-10.9	0	0	0	113.9	E272 F295 R299	E272-N297 PolarHBondContact O-ND2 3.44Å; F295-N297 VanDerWaalsContact C-N 3.29Å; F295-N297 PolarHBondContact O-N 2.87Å; N297-R299 VanDerWaalsContact C-N 3.26Å; N297-R299 PolarHBondContact O-N 3.08Å
298	L	94.9	Very high	95.5	Very high	4 Å²	4	50 Å²	50	2%	0.021	23%	0.225	C	C	.	.			trans	-83.5	59	-172.6	-54.6	-174.4	0	0	0	112.7	F271 L274 L277 W294 F295 K300 L301	F271-L298 HydrophobicContact CB-CD2 4.4Å; L274-L298 HydrophobicContact CB-CD2 4.03Å; L274-L298 WeakPolarHBondContact O-CD2 3.49Å; L277-L298 HydrophobicContact CB-CD2 4.2Å; L277-L298 HydrophobicContact CD2-CD1 4.2Å; L277-L298 HydrophobicContact CD2-CD2 4.29Å; W294-L298 VanDerWaalsContact O-CD1 3.28Å; W294-L298 WeakPolarHBondContact O-CD1 3.2Å; W294-L298 WeakPolarHBondContact O-CG 3.42Å; F295-L298 HydrophobicContact CD1-CD1 4.17Å; F295-L298 PolarHBondContact O-N 3.14Å; F295-L298 VanDerWaalsContact O-N 3.17Å; L298-K300 PolarHBondContact O-N 2.59Å; L298-K300 VanDerWaalsContact O-N 3.15Å; L298-L301 HydrophobicContact CB-CB 4.15Å; L298-L301 HydrophobicContact CD1-CD2 4.39Å; L298-L301 WeakPolarHBondContact O-CB 3.34Å; L298-L301 PolarHBondContact O-N 2.69Å
299	R	91	Very high	95.6	Very high	189 Å²	189	43.7 Å²	43.7	71%	0.713	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.1	-172.1	-61.3	-175.6	-179.7	-173.1	1.3	115.2	N297 R327	N297-R299 VanDerWaalsContact C-N 3.26Å; N297-R299 PolarHBondContact O-N 3.08Å; R299-R327 VanDerWaalsContact O-CD 3.28Å; R299-R327 WeakPolarHBondContact O-CD 3.24Å; R299-R327 PolarHBondContact O-NH1 2.89Å; R299-R327 VanDerWaalsContact O-NH1 3.08Å
300	K	96.3	Very high	95.6	Very high	87 Å²	87	40.3 Å²	40.3	38%	0.378	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	0	178.4	-74.8	178.6	168.5	173.6	0	113	E276 L277 L298 K302	E276-K300 IonicContact OE1-NZ 2.78Å; E276-K300 PolarHBondContact OE1-NZ 2.85Å; E276-K300 IonicContact OE2-NZ 3.45Å; E276-K300 PolarHBondContact OE2-NZ 3.47Å; L277-K300 CarbonylContact O-C 3.16Å; L298-K300 PolarHBondContact O-N 2.59Å; L298-K300 VanDerWaalsContact O-N 3.15Å; K300-K302 PolarHBondContact O-N 3.02Å
301	L	97.6	Very high	95.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	18%	0.184	C	C	.	.			trans	-64.8	120.6	-176.7	-163.2	74.3	0	0	0	110.8	L277 I280 F295 L298 L304 L325 L328	L277-L301 HydrophobicContact CD2-CD1 4.28Å; L277-L301 HydrophobicContact CG-CD1 4.28Å; L277-L301 VanDerWaalsContact O-CA 3.3Å; L277-L301 WeakPolarHBondContact O-CA 3.18Å; L277-L301 PolarHBondContact O-N 3.14Å; L277-L301 VanDerWaalsContact O-N 3.08Å; I280-L301 HydrophobicContact CB-CD1 4.28Å; I280-L301 HydrophobicContact CG2-CD1 3.96Å; I280-L301 HydrophobicContact CG2-CD2 4.16Å; F295-L301 HydrophobicContact CD1-CD2 4.24Å; L298-L301 HydrophobicContact CB-CB 4.15Å; L298-L301 HydrophobicContact CD1-CD2 4.39Å; L298-L301 WeakPolarHBondContact O-CB 3.34Å; L298-L301 PolarHBondContact O-N 2.69Å; L301-L304 HydrophobicContact CD2-CB 4.38Å; L301-L325 HydrophobicContact CB-CD2 4.35Å; L301-L325 HydrophobicContact CD2-CD2 3.68Å; L301-L328 HydrophobicContact CD2-CD1 4.24Å; L301-L328 HydrophobicContact CG-CD1 4.25Å
302	K	97.3	Very high	95.6	Very high	75 Å²	75	39.1 Å²	39.1	33%	0.326	18%	0.177	S	C	.	.			trans	-107.4	-37.8	177.3	-67.5	173.4	-173.9	156.9	0	111.4	E278 K300 L328 E329 V330	E278-K302 PolarHBondContact O-N 2.99Å; E278-K302 IonicContact OE2-NZ 3.78Å; E278-K302 PolarHBondContact OE2-NZ 3.44Å; K300-K302 PolarHBondContact O-N 3.02Å; K302-L328 VanDerWaalsContact O-CD1 3.29Å; K302-L328 WeakPolarHBondContact O-CD1 3.34Å; K302-E329 HydrophobicContact CB-CB 4.44Å; K302-E329 HydrophobicContact CB-CG 4.26Å; K302-E329 HydrophobicContact CG-CG 4.31Å; K302-E329 PolarHBondContact O-N 2.9Å; K302-V330 PolarHBondContact O-N 2.78Å
303	H	97.7	Very high	95.5	Very high	60 Å²	60	48.5 Å²	48.5	28%	0.278	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.9	-175	-55.9	164.9	0	0	0	111.1	E278 E279 I280 V330	E278-H303 PolarHBondContact O-N 3.15Å; E279-H303 WeakPolarHBondContact CA-O 3.41Å; E279-H303 HydrophobicContact CB-CB 3.96Å; E279-H303 HydrophobicContact CG-CB 3.75Å; E279-H303 IonicContact OE2-CE1 2.7Å; E279-H303 IonicContact OE2-CG 3.88Å; E279-H303 IonicContact OE2-ND1 3.95Å; E279-H303 PolarHBondContact OE2-ND1 2.67Å; I280-H303 PolarHBondContact N-O 3.27Å; I280-H303 VanDerWaalsContact N-O 3.08Å; H303-V330 HydrophobicContact CB-CB 4.46Å
304	L	97.8	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.4	177.2	175.8	56.7	0	0	0	109.3	I280 M282 F295 L301 L306 F321 L325 L328 V330 L331 E332	I280-L304 HydrophobicContact CG2-CD1 3.4Å; I280-L304 VanDerWaalsContact CG2-CD1 3.4Å; M282-L304 HydrophobicContact CE-CD1 3.81Å; F295-L304 HydrophobicContact CE1-CD1 3.93Å; F295-L304 HydrophobicContact CE1-CD2 3.94Å; F295-L304 HydrophobicContact CZ-CD1 4.44Å; F295-L304 HydrophobicContact CZ-CD2 4.32Å; L301-L304 HydrophobicContact CD2-CB 4.38Å; L304-L306 HydrophobicContact CD1-CD1 4.26Å; L304-L306 HydrophobicContact CD1-CD2 3.95Å; L304-L306 HydrophobicContact CD1-CG 3.95Å; L304-L306 HydrophobicContact CD2-CD1 3.92Å; L304-L306 HydrophobicContact CD2-CG 4.49Å; L304-L306 HydrophobicContact CG-CD1 3.82Å; L304-L306 HydrophobicContact CG-CD2 4.4Å; L304-L306 HydrophobicContact CG-CG 3.89Å; L304-F321 HydrophobicContact CD2-CD2 4.46Å; L304-F321 HydrophobicContact CD2-CE2 4.12Å; L304-L325 HydrophobicContact CD2-CD1 3.61Å; L304-L328 HydrophobicContact CB-CD1 3.66Å; L304-L328 HydrophobicContact CB-CD2 4.11Å; L304-L328 HydrophobicContact CB-CG 4.5Å; L304-V330 PolarHBondContact N-O 3.29Å; L304-L331 HydrophobicContact CB-CD1 4.23Å; L304-L331 HydrophobicContact CD2-CD1 4.05Å; L304-L331 HydrophobicContact CG-CD1 4.11Å; L304-E332 PolarHBondContact O-N 3.35Å
305	L	97.4	Very high	95.4	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.3	-176.5	-44.3	178.1	0	0	0	110.1	I280 N281 M282 G283 E332	I280-L305 PolarHBondContact O-N 3.44Å; N281-L305 HydrophobicContact CB-CB 4.13Å; N281-L305 HydrophobicContact CB-CD1 4.07Å; M282-L305 PolarHBondContact N-O 3.21Å; G283-L305 PolarHBondContact N-O 3.24Å; L305-E332 HydrophobicContact CD2-CB 3.65Å; L305-E332 HydrophobicContact CD2-CG 4.23Å
306	L	96.6	Very high	95.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	22%	0.216	C	C	.	.			trans	-131.1	14.2	-169.1	-63.8	169	0	0	0	112.5	M282 L290 L304 N309 L311 L331 E332 F333 N336	M282-L306 HydrophobicContact CB-CD2 4.28Å; M282-L306 HydrophobicContact CE-CD2 3.74Å; L290-L306 HydrophobicContact CD1-CD1 3.66Å; L290-L306 HydrophobicContact CD1-CD2 4.08Å; L290-L306 HydrophobicContact CD2-CD2 4.04Å; L304-L306 HydrophobicContact CD1-CD1 4.26Å; L304-L306 HydrophobicContact CD1-CD2 3.95Å; L304-L306 HydrophobicContact CD1-CG 3.95Å; L304-L306 HydrophobicContact CD2-CD1 3.92Å; L304-L306 HydrophobicContact CD2-CG 4.49Å; L304-L306 HydrophobicContact CG-CD1 3.82Å; L304-L306 HydrophobicContact CG-CD2 4.4Å; L304-L306 HydrophobicContact CG-CG 3.89Å; L306-N309 PolarHBondContact O-ND2 2.94Å; L306-L311 HydrophobicContact CB-CD1 3.83Å; L306-L311 HydrophobicContact CD1-CD1 4.2Å; L306-L311 HydrophobicContact CD2-CD1 4.25Å; L306-L311 HydrophobicContact CG-CD1 4.33Å; L306-L331 HydrophobicContact CD1-CD1 4.18Å; L306-E332 WeakPolarHBondContact CA-O 3.28Å; L306-E332 WeakPolarHBondContact CB-O 3.2Å; L306-E332 PolarHBondContact N-O 2.81Å; L306-F333 HydrophobicContact CB-CB 4.13Å; L306-N336 PolarHBondContact O-ND2 2.85Å
307	S	94.4	Very high	95.2	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.035	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	151.9	-176	59.9	0	0	0	0	113	G283 G284 N309 S334	G283-S307 CarbonylContact C-O 3.44Å; G283-S307 VanDerWaalsContact C-O 3.31Å; G283-S307 WeakPolarHBondContact CA-O 3.39Å; G284-S307 PolarHBondContact N-O 2.86Å; S307-N309 PolarHBondContact O-N 2.85Å; S307-S334 CarbonylContact C-O 3.4Å; S307-S334 WeakPolarHBondContact CA-O 3.47Å
308	F	94	Very high	95.1	Very high	58 Å²	58	51.3 Å²	51.3	25%	0.254	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	39.2	176.4	-59.1	-90.6	0	0	0	114.7	R248 G284 S334 F335 F455	R248-F308 WeakPolarHBondContact CB-O 3.31Å; G284-F308 VanDerWaalsContact CA-O 3.27Å; G284-F308 WeakPolarHBondContact CA-O 3.26Å; G284-F308 PolarHBondContact N-O 2.86Å; F308-S334 PolarHBondContact N-O 3.27Å; F308-F335 HydrophobicContact CD1-CB 3.68Å; F308-F335 HydrophobicContact CD1-CG 4.18Å; F308-F335 HydrophobicContact CD2-CB 4.29Å; F308-F335 HydrophobicContact CD2-CD2 4.38Å; F308-F335 HydrophobicContact CE1-CB 3.65Å; F308-F335 HydrophobicContact CE1-CD1 4.12Å; F308-F335 AromaticContact CE1-CD2 3.9Å; F308-F335 HydrophobicContact CE1-CD2 3.9Å; F308-F335 AromaticContact CE1-CG 3.61Å; F308-F335 HydrophobicContact CE1-CG 3.61Å; F308-F335 HydrophobicContact CE2-CB 4.2Å; F308-F335 AromaticContact CE2-CD2 3.57Å; F308-F335 HydrophobicContact CE2-CD2 3.57Å; F308-F335 HydrophobicContact CE2-CE2 4.28Å; F308-F335 HydrophobicContact CE2-CG 4.08Å; F308-F335 HydrophobicContact CG-CB 4.01Å; F308-F335 HydrophobicContact CZ-CB 3.91Å; F308-F335 HydrophobicContact CZ-CD1 4.24Å; F308-F335 AromaticContact CZ-CD2 3.3Å; F308-F335 HydrophobicContact CZ-CD2 3.3Å; F308-F335 AromaticContact CZ-CE2 3.85Å; F308-F335 HydrophobicContact CZ-CE2 3.85Å; F308-F335 AromaticContact CZ-CG 3.54Å; F308-F335 HydrophobicContact CZ-CG 3.54Å; F308-F455 HydrophobicContact CD2-CE2 4.08Å; F308-F455 HydrophobicContact CD2-CZ 4.26Å; F308-F455 HydrophobicContact CE2-CE1 4.08Å; F308-F455 AromaticContact CE2-CE2 3.51Å; F308-F455 HydrophobicContact CE2-CE2 3.51Å; F308-F455 AromaticContact CE2-CZ 3.25Å; F308-F455 HydrophobicContact CE2-CZ 3.25Å; F308-F455 HydrophobicContact CZ-CE2 4.39Å; F308-F455 AromaticContact CZ-CZ 3.84Å; F308-F455 HydrophobicContact CZ-CZ 3.84Å
309	N	96.1	Very high	95.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-109.4	-160.7	167.6	-73.5	-63.7	0	0	0	109.6	R248 M282 N285 S286 L287 L306 S307 L311 N336	R248-N309 PolarHBondContact NH1-O 3.34Å; M282-N309 PolarHBondContact O-ND2 3.33Å; N285-N309 VanDerWaalsContact C-OD1 3.26Å; N285-N309 WeakPolarHBondContact CA-OD1 3.48Å; N285-N309 PolarHBondContact N-OD1 3.47Å; S286-N309 PolarHBondContact N-OD1 3.5Å; L287-N309 HydrophobicContact CB-CB 4.13Å; L287-N309 PolarHBondContact N-OD1 3.29Å; L287-N309 WeakPolarHBondContact O-CB 3.29Å; L306-N309 PolarHBondContact O-ND2 2.94Å; S307-N309 PolarHBondContact O-N 2.85Å; N309-L311 HydrophobicContact CB-CD1 3.9Å; N309-L311 HydrophobicContact CB-CG 3.81Å; N309-N336 VanDerWaalsContact CA-OD1 3.22Å; N309-N336 WeakPolarHBondContact CA-OD1 3.1Å; N309-N336 WeakPolarHBondContact CB-OD1 3.11Å; N309-N336 PolarHBondContact N-OD1 2.87Å; N309-N336 PolarHBondContact O-OD1 3.48Å
310	F	95.1	Very high	95.3	Very high	47 Å²	47	45.1 Å²	45.1	21%	0.206	21%	0.206	C	C	.	.	S	Bend	trans	-118.7	39.2	177	-65.6	-72.4	0	0	0	111.8	R248 L287 E288 L312 N336 L339	R248-F310 HydrophobicContact CB-CE2 4.49Å; R248-F310 HydrophobicContact CB-CZ 4.45Å; R248-F310 HydrophobicContact CG-CE1 4.19Å; R248-F310 HydrophobicContact CG-CE2 4.17Å; R248-F310 HydrophobicContact CG-CZ 3.68Å; R248-F310 VanDerWaalsContact CZ-CE1 3.48Å; L287-F310 CarbonylContact O-C 3.53Å; L287-F310 WeakPolarHBondContact O-CA 3.4Å; L287-F310 PolarHBondContact O-N 2.99Å; E288-F310 HydrophobicContact CG-CB 3.83Å; F310-L312 PolarHBondContact O-N 3.26Å; F310-N336 PolarHBondContact N-OD1 2.65Å; F310-L339 HydrophobicContact CE1-CD1 4.2Å; F310-L339 HydrophobicContact CE1-CG 4.19Å
311	L	96.3	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.8	-167.6	-59.7	169.6	0	0	0	115.4	L287 L290 L306 N309 R313 E314 V315 N336	L287-L311 HydrophobicContact CB-CD2 4.21Å; L287-L311 WeakPolarHBondContact O-CD2 3.17Å; L290-L311 HydrophobicContact CD1-CD1 4.14Å; L290-L311 HydrophobicContact CD1-CD2 4.36Å; L290-L311 HydrophobicContact CD2-CD1 4.42Å; L290-L311 HydrophobicContact CD2-CD2 4.16Å; L290-L311 HydrophobicContact CG-CD1 4.38Å; L290-L311 HydrophobicContact CG-CD2 3.86Å; L306-L311 HydrophobicContact CB-CD1 3.83Å; L306-L311 HydrophobicContact CD1-CD1 4.2Å; L306-L311 HydrophobicContact CD2-CD1 4.25Å; L306-L311 HydrophobicContact CG-CD1 4.33Å; N309-L311 HydrophobicContact CB-CD1 3.9Å; N309-L311 HydrophobicContact CB-CG 3.81Å; L311-R313 PolarHBondContact O-N 3Å; L311-E314 HydrophobicContact CB-CB 4.43Å; L311-E314 HydrophobicContact CD2-CB 4.28Å; L311-E314 WeakPolarHBondContact O-CB 3.42Å; L311-E314 PolarHBondContact O-N 3.06Å; L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 2.96Å; L311-N336 HydrophobicContact CB-CB 4.28Å; L311-N336 WeakPolarHBondContact CB-OD1 3.39Å; L311-N336 WeakPolarHBondContact CG-OD1 3.44Å; L311-N336 PolarHBondContact N-OD1 3.49Å
312	L	95.2	Very high	95.2	Very high	16 Å²	16	41 Å²	41	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-54.3	-39.9	-178.4	-179.7	63.9	0	0	0	112.4	F310 V315 T316 N336 A338 I346 L366	F310-L312 PolarHBondContact O-N 3.26Å; L312-V315 WeakPolarHBondContact O-CG2 3.42Å; L312-T316 HydrophobicContact CD1-CG2 4.13Å; L312-T316 WeakPolarHBondContact O-CB 3.31Å; L312-T316 WeakPolarHBondContact O-CG2 3.42Å; L312-T316 PolarHBondContact O-N 3.4Å; L312-T316 PolarHBondContact O-OG1 3.08Å; L312-N336 VanDerWaalsContact CB-O 3.24Å; L312-N336 WeakPolarHBondContact CB-O 3.1Å; L312-N336 PolarHBondContact N-O 2.98Å; L312-A338 HydrophobicContact CD2-CB 3.95Å; L312-I346 HydrophobicContact CD1-CG2 4.25Å; L312-L366 HydrophobicContact CD1-CB 4.45Å
313	R	93.9	Very high	95	Very high	210 Å²	210	44.1 Å²	44.1	79%	0.792	20%	0.197	S	C	*	.	H	α-helix	trans	-69.5	-35.8	176.9	-69.9	-176.7	177.8	177.6	0.1	112.8	L311 G317	L311-R313 PolarHBondContact O-N 3Å; R313-G317 WeakPolarHBondContact O-CA 3.3Å; R313-G317 PolarHBondContact O-N 3.09Å
314	E	95.6	Very high	94.9	Very high	24 Å²	24	46 Å²	46	11%	0.112	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-46.6	179	179.8	56.4	-151.9	0	0	111.1	Y289 L311 G317 A319 F321	Y289-E314 WeakPolarHBondContact CD2-OE2 3.43Å; L311-E314 HydrophobicContact CB-CB 4.43Å; L311-E314 HydrophobicContact CD2-CB 4.28Å; L311-E314 WeakPolarHBondContact O-CB 3.42Å; L311-E314 PolarHBondContact O-N 3.06Å; E314-G317 PolarHBondContact O-N 3.43Å; E314-A319 PolarHBondContact O-N 2.79Å; E314-A319 WeakPolarHBondContact OE1-CA 3.5Å; E314-F321 HydrophobicContact CG-CD1 4.38Å; E314-F321 HydrophobicContact CG-CE1 3.97Å
315	V	94.9	Very high	94.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-75.4	-24.9	-177.4	-58.7	0	0	0	0	114	L311 L312 F333 S349 F352	L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 2.96Å; L312-V315 WeakPolarHBondContact O-CG2 3.42Å; V315-F333 HydrophobicContact CB-CE2 4.23Å; V315-F333 HydrophobicContact CG1-CD2 4.05Å; V315-F333 HydrophobicContact CG1-CE2 4.17Å; V315-F333 HydrophobicContact CG1-CG 4.42Å; V315-F333 HydrophobicContact CG2-CD2 4.21Å; V315-F333 HydrophobicContact CG2-CE2 3.82Å; V315-S349 PolarHBondContact O-N 2.61Å; V315-F352 HydrophobicContact CB-CE2 4.17Å; V315-F352 HydrophobicContact CB-CZ 4.13Å; V315-F352 HydrophobicContact CG1-CZ 4.39Å
316	T	93.5	Very high	94.7	Very high	53 Å²	53	48.3 Å²	48.3	33%	0.325	22%	0.218	S	C	.	.	H	α-helix	trans	-92.6	-11.5	173.6	57.7	0	0	0	0	113.2	L312 I346 N347	L312-T316 HydrophobicContact CD1-CG2 4.13Å; L312-T316 WeakPolarHBondContact O-CB 3.31Å; L312-T316 WeakPolarHBondContact O-CG2 3.42Å; L312-T316 PolarHBondContact O-N 3.4Å; L312-T316 PolarHBondContact O-OG1 3.08Å; T316-I346 HydrophobicContact CG2-CB 4.24Å; T316-N347 VanDerWaalsContact CA-O 3.3Å; T316-N347 WeakPolarHBondContact CA-O 3.31Å; T316-N347 WeakPolarHBondContact CB-O 3.47Å; T316-N347 WeakPolarHBondContact CG2-O 3.36Å
317	G	92.7	Very high	94.6	Very high	39 Å²	39	55.5 Å²	55.5	40%	0.402	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-124.6	177	0	0	0	0	0	112.2	R313 E314 S349	R313-G317 WeakPolarHBondContact O-CA 3.3Å; R313-G317 PolarHBondContact O-N 3.09Å; E314-G317 PolarHBondContact O-N 3.43Å; G317-S349 VanDerWaalsContact O-CB 3.31Å; G317-S349 WeakPolarHBondContact O-CB 3.32Å; G317-S349 PolarHBondContact O-OG 3.01Å
318	R	89.4	Confident	94.8	Very high	189 Å²	189	55.2 Å²	55.2	71%	0.713	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-36.7	-178.1	-63.9	-172.8	-177.6	173.9	1.9	113.1	E320 S349 E351	R318-E320 VanDerWaalsContact C-N 3.27Å; R318-E320 HydrophobicContact CB-CG 3.8Å; R318-E320 WeakPolarHBondContact CD-OE1 3.28Å; R318-E320 IonicContact NH1-OE1 2.67Å; R318-E320 PolarHBondContact NH1-OE1 3.19Å; R318-E320 PolarHBondContact O-N 2.8Å; R318-S349 PolarHBondContact O-OG 3.05Å; R318-E351 WeakPolarHBondContact O-CG 3.48Å
319	A	94.5	Very high	94.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	24%	0.242	C	C	.	.			trans	50.4	42.7	-177.4	0	0	0	0	0	113.8	E314 F321 L322	E314-A319 PolarHBondContact O-N 2.79Å; E314-A319 WeakPolarHBondContact OE1-CA 3.5Å; A319-F321 HydrophobicContact CB-CD1 4.42Å; A319-F321 HydrophobicContact CB-CE1 3.91Å; A319-F321 PolarHBondContact O-N 3.06Å; A319-L322 HydrophobicContact CB-CD1 3.74Å; A319-L322 HydrophobicContact CB-CG 4.19Å; A319-L322 WeakPolarHBondContact O-CB 3.36Å; A319-L322 PolarHBondContact O-N 3.28Å; A319-L322 VanDerWaalsContact O-N 3.07Å
320	E	95.2	Very high	94.9	Very high	64 Å²	64	56.2 Å²	56.2	30%	0.299	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24.4	-170.8	-64.6	-177.6	-176.3	0	0	113.2	P292 R318 L322 R323	P292-E320 HydrophobicContact CG-CB 3.85Å; R318-E320 VanDerWaalsContact C-N 3.27Å; R318-E320 HydrophobicContact CB-CG 3.8Å; R318-E320 WeakPolarHBondContact CD-OE1 3.28Å; R318-E320 IonicContact NH1-OE1 2.67Å; R318-E320 PolarHBondContact NH1-OE1 3.19Å; R318-E320 PolarHBondContact O-N 2.8Å; E320-L322 PolarHBondContact O-N 3.06Å; E320-R323 WeakPolarHBondContact O-CB 3.33Å; E320-R323 PolarHBondContact O-N 3.37Å
321	F	95.3	Very high	95	Very high	1 Å²	1	54 Å²	54	0%	0.004	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.3	-28.1	177.2	72.3	-83.9	0	0	0	113.5	L290 F295 L304 E314 A319 R323 Y324 L325	L290-F321 HydrophobicContact CB-CB 4.43Å; L290-F321 HydrophobicContact CB-CD1 3.96Å; L290-F321 HydrophobicContact CB-CE1 4.43Å; L290-F321 HydrophobicContact CB-CG 4.1Å; L290-F321 HydrophobicContact CD1-CD1 4.04Å; L290-F321 HydrophobicContact CD1-CD2 4.04Å; L290-F321 HydrophobicContact CD1-CE1 3.77Å; L290-F321 HydrophobicContact CD1-CE2 3.74Å; L290-F321 HydrophobicContact CD1-CG 4.19Å; L290-F321 HydrophobicContact CD1-CZ 3.61Å; F295-F321 HydrophobicContact CD2-CB 3.63Å; F295-F321 HydrophobicContact CD2-CD2 4.37Å; F295-F321 HydrophobicContact CD2-CG 4.44Å; F295-F321 HydrophobicContact CE2-CB 3.71Å; F295-F321 HydrophobicContact CE2-CD2 4.02Å; F295-F321 HydrophobicContact CE2-CG 4.15Å; F295-F321 HydrophobicContact CZ-CD2 4.31Å; L304-F321 HydrophobicContact CD2-CD2 4.46Å; L304-F321 HydrophobicContact CD2-CE2 4.12Å; E314-F321 HydrophobicContact CG-CD1 4.38Å; E314-F321 HydrophobicContact CG-CE1 3.97Å; A319-F321 HydrophobicContact CB-CD1 4.42Å; A319-F321 HydrophobicContact CB-CE1 3.91Å; A319-F321 PolarHBondContact O-N 3.06Å; F321-R323 PolarHBondContact O-N 2.93Å; F321-Y324 PolarHBondContact O-N 2.92Å; F321-L325 HydrophobicContact CD2-CD1 4.08Å
322	L	95.9	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-66	-23.2	-179.3	-62.5	176.8	0	0	0	113	A319 E320 Y324 L325 L331 E351 F352 L355	A319-L322 HydrophobicContact CB-CD1 3.74Å; A319-L322 HydrophobicContact CB-CG 4.19Å; A319-L322 WeakPolarHBondContact O-CB 3.36Å; A319-L322 PolarHBondContact O-N 3.28Å; A319-L322 VanDerWaalsContact O-N 3.07Å; E320-L322 PolarHBondContact O-N 3.06Å; L322-Y324 PolarHBondContact O-N 3.35Å; L322-Y324 VanDerWaalsContact O-N 3.15Å; L322-L325 PolarHBondContact O-N 2.9Å; L322-L331 HydrophobicContact CD2-CD2 4.2Å; L322-E351 HydrophobicContact CB-CB 4.16Å; L322-E351 HydrophobicContact CD1-CB 4.3Å; L322-F352 HydrophobicContact CD1-CD1 4.21Å; L322-F352 HydrophobicContact CD1-CD2 3.55Å; L322-F352 HydrophobicContact CD1-CE1 4.31Å; L322-F352 HydrophobicContact CD1-CE2 3.66Å; L322-F352 HydrophobicContact CD1-CG 3.84Å; L322-F352 HydrophobicContact CD1-CZ 4.06Å; L322-L355 HydrophobicContact CB-CD2 4.47Å; L322-L355 HydrophobicContact CD2-CD1 4.14Å; L322-L355 HydrophobicContact CD2-CD2 4.06Å; L322-L355 HydrophobicContact CD2-CG 4.46Å
323	R	94.6	Very high	94.9	Very high	141 Å²	141	53.8 Å²	53.8	53%	0.532	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-57.8	-27.9	176	-69.3	179.9	177.3	174.9	3.9	113.2	E320 F321 E351	E320-R323 WeakPolarHBondContact O-CB 3.33Å; E320-R323 PolarHBondContact O-N 3.37Å; F321-R323 PolarHBondContact O-N 2.93Å; R323-E351 WeakPolarHBondContact CG-OE2 3.38Å; R323-E351 IonicContact CZ-OE1 2.9Å; R323-E351 VanDerWaalsContact CZ-OE1 3.24Å; R323-E351 IonicContact NE-OE1 3.69Å; R323-E351 PolarHBondContact NE-OE1 2.96Å; R323-E351 IonicContact NE-OE2 3.14Å; R323-E351 PolarHBondContact NE-OE2 3.43Å; R323-E351 VanDerWaalsContact NE-OE2 3.08Å; R323-E351 IonicContact NH2-OE1 3.73Å; R323-E351 PolarHBondContact NH2-OE1 3.03Å
324	Y	95.1	Very high	95	Very high	101 Å²	101	43.9 Å²	43.9	40%	0.396	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-91.9	-1.3	-177.4	-59.3	-79	0	0	0	113.1	P292 K296 F321 L322 P326	P292-Y324 HydrophobicContact CB-CD2 4.16Å; P292-Y324 HydrophobicContact CB-CE2 3.66Å; K296-Y324 HydrophobicContact CB-CD1 4.29Å; K296-Y324 HydrophobicContact CB-CE1 4.35Å; K296-Y324 HydrophobicContact CG-CD1 4.3Å; K296-Y324 HydrophobicContact CG-CE1 4.07Å; F321-Y324 PolarHBondContact O-N 2.92Å; L322-Y324 PolarHBondContact O-N 3.35Å; L322-Y324 VanDerWaalsContact O-N 3.15Å; Y324-P326 VanDerWaalsContact O-CD 3.31Å; Y324-P326 WeakPolarHBondContact O-CD 3.13Å
325	L	95.8	Very high	94.9	Very high	3 Å²	3	45 Å²	45	2%	0.016	21%	0.207	C	C	.	.			trans	-119.2	44.5	-168.7	-61.3	179	0	0	0	115.3	F295 L301 L304 F321 L322 R327 L328 L355	F295-L325 HydrophobicContact CB-CD2 4Å; F295-L325 HydrophobicContact CB-CG 4.27Å; F295-L325 HydrophobicContact CD1-CD1 4.01Å; F295-L325 HydrophobicContact CD1-CD2 4.03Å; F295-L325 HydrophobicContact CD1-CG 4.42Å; F295-L325 HydrophobicContact CE1-CD1 4.42Å; F295-L325 HydrophobicContact CG-CD1 4.28Å; F295-L325 HydrophobicContact CG-CD2 4.33Å; F295-L325 HydrophobicContact CG-CG 4.47Å; L301-L325 HydrophobicContact CB-CD2 4.35Å; L301-L325 HydrophobicContact CD2-CD2 3.68Å; L304-L325 HydrophobicContact CD2-CD1 3.61Å; F321-L325 HydrophobicContact CD2-CD1 4.08Å; L322-L325 PolarHBondContact O-N 2.9Å; L325-R327 PolarHBondContact O-N 3.22Å; L325-R327 VanDerWaalsContact O-N 3.15Å; L325-L328 HydrophobicContact CB-CB 4.26Å; L325-L328 HydrophobicContact CD1-CD2 4.46Å; L325-L328 WeakPolarHBondContact O-CB 3.15Å; L325-L328 PolarHBondContact O-N 3.43Å; L325-L355 HydrophobicContact CB-CD2 4.12Å; L325-L355 WeakPolarHBondContact O-CD2 3.33Å
326	P	94.1	Very high	95	Very high	59 Å²	59	44.8 Å²	44.8	38%	0.383	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.2	-176.6	30.5	-37.1	0	0	0	114.5	Y324 N354 S357	Y324-P326 VanDerWaalsContact O-CD 3.31Å; Y324-P326 WeakPolarHBondContact O-CD 3.13Å; P326-N354 WeakPolarHBondContact CA-O 3.43Å; P326-S357 WeakPolarHBondContact O-CB 3.1Å; P326-S357 PolarHBondContact O-N 3.43Å; P326-S357 PolarHBondContact O-OG 2.91Å
327	R	96	Very high	95	Very high	152 Å²	152	44.2 Å²	44.2	57%	0.574	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	0.6	179.7	-72.9	-178.4	176.6	172.2	-3.5	114.2	R299 L325 E329 S357	R299-R327 VanDerWaalsContact O-CD 3.28Å; R299-R327 WeakPolarHBondContact O-CD 3.24Å; R299-R327 PolarHBondContact O-NH1 2.89Å; R299-R327 VanDerWaalsContact O-NH1 3.08Å; L325-R327 PolarHBondContact O-N 3.22Å; L325-R327 VanDerWaalsContact O-N 3.15Å; R327-E329 PolarHBondContact O-N 3.49Å; R327-S357 WeakPolarHBondContact CA-OG 3.41Å
328	L	97.2	Very high	95	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	19%	0.192	C	C	.	.			trans	-63.3	127.4	179.6	-162.4	74.2	0	0	0	110.1	L301 K302 L304 L325 L331 L355 S357 L358	L301-L328 HydrophobicContact CD2-CD1 4.24Å; L301-L328 HydrophobicContact CG-CD1 4.25Å; K302-L328 VanDerWaalsContact O-CD1 3.29Å; K302-L328 WeakPolarHBondContact O-CD1 3.34Å; L304-L328 HydrophobicContact CB-CD1 3.66Å; L304-L328 HydrophobicContact CB-CD2 4.11Å; L304-L328 HydrophobicContact CB-CG 4.5Å; L325-L328 HydrophobicContact CB-CB 4.26Å; L325-L328 HydrophobicContact CD1-CD2 4.46Å; L325-L328 WeakPolarHBondContact O-CB 3.15Å; L325-L328 PolarHBondContact O-N 3.43Å; L328-L331 HydrophobicContact CD2-CB 3.75Å; L328-L331 HydrophobicContact CD2-CD1 4.04Å; L328-L331 HydrophobicContact CD2-CD2 4.47Å; L328-L331 HydrophobicContact CD2-CG 4.28Å; L328-L355 HydrophobicContact CB-CD2 4.26Å; L328-L355 HydrophobicContact CD2-CD2 4.2Å; L328-S357 CarbonylContact O-C 3.57Å; L328-L358 WeakPolarHBondContact O-CA 3.1Å; L328-L358 PolarHBondContact O-N 3.3Å
329	E	96.7	Very high	95.1	Very high	49 Å²	49	38.7 Å²	38.7	23%	0.229	18%	0.178	C	C	.	.			trans	-99.6	-34.6	179	-60.3	-167.4	-146.5	0	0	111.5	K302 R327 R359 T360	K302-E329 HydrophobicContact CB-CB 4.44Å; K302-E329 HydrophobicContact CB-CG 4.26Å; K302-E329 HydrophobicContact CG-CG 4.31Å; K302-E329 PolarHBondContact O-N 2.9Å; R327-E329 PolarHBondContact O-N 3.49Å; E329-R359 HydrophobicContact CB-CG 4.5Å; E329-R359 PolarHBondContact O-N 3Å; E329-R359 WeakPolarHBondContact OE2-CD 3.33Å; E329-R359 IonicContact OE2-CZ 2.67Å; E329-R359 IonicContact OE2-NE 3.38Å; E329-R359 PolarHBondContact OE2-NE 3.38Å; E329-T360 PolarHBondContact O-N 2.94Å
330	V	96.5	Very high	94.9	Very high	29 Å²	29	49.4 Å²	49.4	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.3	179.8	-177.1	0	0	0	0	110	K302 H303 L304 T360	K302-V330 PolarHBondContact O-N 2.78Å; H303-V330 HydrophobicContact CB-CB 4.46Å; L304-V330 PolarHBondContact N-O 3.29Å; V330-T360 WeakPolarHBondContact CA-O 3.5Å
331	L	97.3	Very high	94.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.1	171.4	178.9	57.9	0	0	0	109.5	L304 L306 L322 L328 F333 F352 L355 L358 T360 L361 H362	L304-L331 HydrophobicContact CB-CD1 4.23Å; L304-L331 HydrophobicContact CD2-CD1 4.05Å; L304-L331 HydrophobicContact CG-CD1 4.11Å; L306-L331 HydrophobicContact CD1-CD1 4.18Å; L322-L331 HydrophobicContact CD2-CD2 4.2Å; L328-L331 HydrophobicContact CD2-CB 3.75Å; L328-L331 HydrophobicContact CD2-CD1 4.04Å; L328-L331 HydrophobicContact CD2-CD2 4.47Å; L328-L331 HydrophobicContact CD2-CG 4.28Å; L331-F333 HydrophobicContact CD2-CD1 4.3Å; L331-F333 HydrophobicContact CD2-CE1 4.3Å; L331-F333 HydrophobicContact CG-CD1 4Å; L331-F333 HydrophobicContact CG-CE1 4.38Å; L331-F352 HydrophobicContact CD2-CD1 4.38Å; L331-F352 HydrophobicContact CD2-CE1 3.7Å; L331-F352 HydrophobicContact CD2-CZ 4.43Å; L331-L355 HydrophobicContact CD2-CD1 3.75Å; L331-L358 HydrophobicContact CB-CD1 3.8Å; L331-T360 PolarHBondContact N-O 3.23Å; L331-T360 VanDerWaalsContact N-O 3.13Å; L331-L361 HydrophobicContact CB-CD1 3.87Å; L331-L361 HydrophobicContact CD2-CD1 3.93Å; L331-L361 HydrophobicContact CG-CD1 3.98Å; L331-H362 PolarHBondContact O-N 3.3Å
332	E	93.9	Very high	94.8	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.3	-178.3	169.5	61.2	-95.9	0	0	109.8	L304 L305 L306 S334 H362	L304-E332 PolarHBondContact O-N 3.35Å; L305-E332 HydrophobicContact CD2-CB 3.65Å; L305-E332 HydrophobicContact CD2-CG 4.23Å; L306-E332 WeakPolarHBondContact CA-O 3.28Å; L306-E332 WeakPolarHBondContact CB-O 3.2Å; L306-E332 PolarHBondContact N-O 2.81Å; E332-S334 WeakPolarHBondContact OE1-CA 3.1Å; E332-S334 WeakPolarHBondContact OE1-CB 3.03Å; E332-S334 PolarHBondContact OE1-N 3.17Å; E332-S334 PolarHBondContact OE1-OG 2.92Å; E332-H362 HydrophobicContact CB-CB 4.32Å; E332-H362 HydrophobicContact CG-CB 4.39Å; E332-H362 VanDerWaalsContact OE1-CB 3.23Å; E332-H362 WeakPolarHBondContact OE1-CB 3.46Å; E332-H362 WeakPolarHBondContact OE2-CB 3.38Å; E332-H362 IonicContact OE2-CD2 3.05Å; E332-H362 PolarHBondContact OE2-CD2 3.23Å; E332-H362 IonicContact OE2-CG 2.6Å; E332-H362 IonicContact OE2-ND1 2.95Å
333	F	95.5	Very high	94.8	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	26%	0.256	C	S	.	.			trans	-134.4	35.2	175.2	65.3	-83.3	0	0	0	112	L306 V315 L331 N336 L348 F352 L361 H362 M363 L366	L306-F333 HydrophobicContact CB-CB 4.13Å; V315-F333 HydrophobicContact CB-CE2 4.23Å; V315-F333 HydrophobicContact CG1-CD2 4.05Å; V315-F333 HydrophobicContact CG1-CE2 4.17Å; V315-F333 HydrophobicContact CG1-CG 4.42Å; V315-F333 HydrophobicContact CG2-CD2 4.21Å; V315-F333 HydrophobicContact CG2-CE2 3.82Å; L331-F333 HydrophobicContact CD2-CD1 4.3Å; L331-F333 HydrophobicContact CD2-CE1 4.3Å; L331-F333 HydrophobicContact CG-CD1 4Å; L331-F333 HydrophobicContact CG-CE1 4.38Å; F333-N336 VanDerWaalsContact C-ND2 3.26Å; F333-N336 WeakPolarHBondContact O-CB 3.25Å; F333-N336 PolarHBondContact O-ND2 2.92Å; F333-L348 HydrophobicContact CZ-CD2 4.4Å; F333-F352 AromaticContact CE1-CE1 3.94Å; F333-F352 HydrophobicContact CE1-CE1 3.94Å; F333-F352 HydrophobicContact CE1-CZ 4.03Å; F333-F352 HydrophobicContact CZ-CE1 4.22Å; F333-F352 HydrophobicContact CZ-CZ 4Å; F333-L361 HydrophobicContact CD1-CD1 4.46Å; F333-L361 HydrophobicContact CE1-CD1 3.77Å; F333-H362 PolarHBondContact N-O 3.15Å; F333-M363 HydrophobicContact CE1-CG 3.83Å; F333-M363 HydrophobicContact CE2-CG 4.2Å; F333-M363 HydrophobicContact CZ-CB 4.48Å; F333-M363 HydrophobicContact CZ-CE 4.19Å; F333-M363 HydrophobicContact CZ-CG 3.49Å; F333-M363 VanDerWaalsContact CZ-CG 3.49Å; F333-M363 HydrophobicContact CZ-SD 4.12Å; F333-L366 HydrophobicContact CD2-CD1 4.44Å; F333-L366 HydrophobicContact CD2-CD2 3.85Å; F333-L366 HydrophobicContact CE2-CD1 3.65Å; F333-L366 HydrophobicContact CE2-CD2 3.87Å; F333-L366 HydrophobicContact CE2-CG 4.38Å; F333-L366 HydrophobicContact CZ-CD1 4.34Å
334	S	94.5	Very high	94.8	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.021	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	156.5	177.3	-61.2	0	0	0	0	113.3	S307 F308 E332 N336 E364	S307-S334 CarbonylContact C-O 3.4Å; S307-S334 WeakPolarHBondContact CA-O 3.47Å; F308-S334 PolarHBondContact N-O 3.27Å; E332-S334 WeakPolarHBondContact OE1-CA 3.1Å; E332-S334 WeakPolarHBondContact OE1-CB 3.03Å; E332-S334 PolarHBondContact OE1-N 3.17Å; E332-S334 PolarHBondContact OE1-OG 2.92Å; S334-N336 PolarHBondContact O-N 2.9Å; S334-N336 PolarHBondContact O-ND2 2.97Å; S334-E364 CarbonylContact C-O 3.45Å; S334-E364 WeakPolarHBondContact CA-O 3.11Å; S334-E364 WeakPolarHBondContact CB-O 3.39Å; S334-E364 WeakPolarHBondContact OG-CB 3.38Å; S334-E364 PolarHBondContact OG-N 2.8Å
335	F	95.1	Very high	94.8	Very high	46 Å²	46	48.5 Å²	48.5	20%	0.202	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	32.8	179	-57.7	-82.1	0	0	0	113.9	R248 F308 E364 G365 T392	R248-F335 PolarHBondContact NH1-O 3.2Å; R248-F335 VanDerWaalsContact NH1-O 3.08Å; F308-F335 HydrophobicContact CD1-CB 3.68Å; F308-F335 HydrophobicContact CD1-CG 4.18Å; F308-F335 HydrophobicContact CD2-CB 4.29Å; F308-F335 HydrophobicContact CD2-CD2 4.38Å; F308-F335 HydrophobicContact CE1-CB 3.65Å; F308-F335 HydrophobicContact CE1-CD1 4.12Å; F308-F335 AromaticContact CE1-CD2 3.9Å; F308-F335 HydrophobicContact CE1-CD2 3.9Å; F308-F335 AromaticContact CE1-CG 3.61Å; F308-F335 HydrophobicContact CE1-CG 3.61Å; F308-F335 HydrophobicContact CE2-CB 4.2Å; F308-F335 AromaticContact CE2-CD2 3.57Å; F308-F335 HydrophobicContact CE2-CD2 3.57Å; F308-F335 HydrophobicContact CE2-CE2 4.28Å; F308-F335 HydrophobicContact CE2-CG 4.08Å; F308-F335 HydrophobicContact CG-CB 4.01Å; F308-F335 HydrophobicContact CZ-CB 3.91Å; F308-F335 HydrophobicContact CZ-CD1 4.24Å; F308-F335 AromaticContact CZ-CD2 3.3Å; F308-F335 HydrophobicContact CZ-CD2 3.3Å; F308-F335 AromaticContact CZ-CE2 3.85Å; F308-F335 HydrophobicContact CZ-CE2 3.85Å; F308-F335 AromaticContact CZ-CG 3.54Å; F308-F335 HydrophobicContact CZ-CG 3.54Å; F335-E364 HydrophobicContact CE2-CB 4.31Å; F335-E364 PolarHBondContact N-O 3.3Å; F335-G365 VanDerWaalsContact CA-O 3.32Å; F335-G365 WeakPolarHBondContact CA-O 3.48Å; F335-T392 HydrophobicContact CE1-CG2 4.28Å
336	N	96	Very high	94.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.			trans	-92.9	11.8	175	-86.8	-81.5	0	0	0	113.8	L306 N309 F310 L311 L312 F333 S334 L366	L306-N336 PolarHBondContact O-ND2 2.85Å; N309-N336 VanDerWaalsContact CA-OD1 3.22Å; N309-N336 WeakPolarHBondContact CA-OD1 3.1Å; N309-N336 WeakPolarHBondContact CB-OD1 3.11Å; N309-N336 PolarHBondContact N-OD1 2.87Å; N309-N336 PolarHBondContact O-OD1 3.48Å; F310-N336 PolarHBondContact N-OD1 2.65Å; L311-N336 HydrophobicContact CB-CB 4.28Å; L311-N336 WeakPolarHBondContact CB-OD1 3.39Å; L311-N336 WeakPolarHBondContact CG-OD1 3.44Å; L311-N336 PolarHBondContact N-OD1 3.49Å; L312-N336 VanDerWaalsContact CB-O 3.24Å; L312-N336 WeakPolarHBondContact CB-O 3.1Å; L312-N336 PolarHBondContact N-O 2.98Å; F333-N336 VanDerWaalsContact C-ND2 3.26Å; F333-N336 WeakPolarHBondContact O-CB 3.25Å; F333-N336 PolarHBondContact O-ND2 2.92Å; S334-N336 PolarHBondContact O-N 2.9Å; S334-N336 PolarHBondContact O-ND2 2.97Å; N336-L366 HydrophobicContact CB-CD2 4.1Å
337	Y	94.4	Very high	94.8	Very high	40 Å²	40	50.2 Å²	50.2	16%	0.157	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-53.2	146.8	-178.8	66.9	-79.8	0	0	0	114	R248 L339 G365 L366 V367	R248-Y337 PolarHBondContact NH1-O 2.83Å; R248-Y337 VanDerWaalsContact NH2-CE1 3.28Å; R248-Y337 PolarHBondContact NH2-O 3.49Å; Y337-L339 HydrophobicContact CE2-CD2 3.91Å; Y337-G365 WeakPolarHBondContact CB-O 3.44Å; Y337-G365 VanDerWaalsContact CD1-O 3.29Å; Y337-G365 WeakPolarHBondContact CD1-O 3.1Å; Y337-G365 PolarHBondContact N-O 2.78Å; Y337-L366 WeakPolarHBondContact CB-O 3.21Å; Y337-V367 HydrophobicContact CD1-CG2 4.39Å; Y337-V367 HydrophobicContact CD2-CG2 4.36Å; Y337-V367 HydrophobicContact CG-CG2 3.9Å
338	A	92.8	Very high	94.7	Very high	33 Å²	33	43.5 Å²	43.5	27%	0.273	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-75.4	133.1	170.5	0	0	0	0	0	110.9	L312 K340 S341	L312-A338 HydrophobicContact CD2-CB 3.95Å; A338-K340 PolarHBondContact O-N 2.6Å; A338-S341 PolarHBondContact O-N 2.7Å
339	L	90.3	Very high	94.7	Very high	79 Å²	79	43.8 Å²	43.8	41%	0.414	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	137.1	179.9	-63.1	178	0	0	0	111.2	R248 E250 F310 Y337 S341	R248-L339 VanDerWaalsContact NH2-CD2 3.3Å; E250-L339 HydrophobicContact CB-CD2 4.32Å; E250-L339 HydrophobicContact CG-CD1 4.23Å; E250-L339 HydrophobicContact CG-CD2 3.78Å; F310-L339 HydrophobicContact CE1-CD1 4.2Å; F310-L339 HydrophobicContact CE1-CG 4.19Å; Y337-L339 HydrophobicContact CE2-CD2 3.91Å; L339-S341 PolarHBondContact O-N 2.85Å; L339-S341 VanDerWaalsContact O-N 3.08Å
340	K	90.9	Very high	94.6	Very high	225 Å²	225	46.4 Å²	46.4	98%	0.978	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	22.2	178.6	-53	177.7	-178.3	177.1	0	113.9	A338	A338-K340 PolarHBondContact O-N 2.6Å
341	S	93.5	Very high	94.6	Very high	57 Å²	57	46.2 Å²	46.2	40%	0.399	24%	0.241	S	C	.	.			trans	-114.6	138.8	178.1	-167	0	0	0	0	110.3	A338 L339	A338-S341 PolarHBondContact O-N 2.7Å; L339-S341 PolarHBondContact O-N 2.85Å; L339-S341 VanDerWaalsContact O-N 3.08Å
342	Y	95.4	Very high	94.5	Very high	88 Å²	88	46.1 Å²	46.1	35%	0.345	24%	0.24	S	C	.	.			trans	-140.9	72.9	174.3	-172.3	-152.2	0	0	0	110.8	V367 F368 Q369 F394 I396	Y342-V367 HydrophobicContact CD2-CG1 3.66Å; Y342-V367 HydrophobicContact CE2-CG1 4.14Å; Y342-V367 HydrophobicContact CG-CG1 4.43Å; Y342-F368 VanDerWaalsContact CE2-C 3.48Å; Y342-Q369 HydrophobicContact CD1-CG 3.97Å; Y342-Q369 HydrophobicContact CD2-CG 3.98Å; Y342-Q369 HydrophobicContact CE1-CG 3.54Å; Y342-Q369 HydrophobicContact CE2-CB 4.42Å; Y342-Q369 HydrophobicContact CE2-CG 3.57Å; Y342-Q369 HydrophobicContact CG-CG 4.18Å; Y342-Q369 PolarHBondContact O-NE2 2.69Å; Y342-F394 HydrophobicContact CE2-CB 4.21Å; Y342-F394 PolarHBondContact OH-O 2.92Å; Y342-I396 HydrophobicContact CE1-CD1 4.27Å; Y342-I396 WeakPolarHBondContact OH-CD1 3.47Å; Y342-I396 VanDerWaalsContact OH-CG1 3.23Å; Y342-I396 WeakPolarHBondContact OH-CG1 3.32Å
343	P	95.4	Very high	94.5	Very high	36 Å²	36	47.7 Å²	47.7	23%	0.234	25%	0.252	C	S	.	.			trans	-61.9	153.3	-174.9	26.9	-37.1	0	0	0	112.7	T345 I346 V367 F368 Q369	P343-T345 VanDerWaalsContact C-N 3.33Å; P343-T345 PolarHBondContact O-N 3.32Å; P343-I346 HydrophobicContact CG-CG2 4.22Å; P343-V367 WeakPolarHBondContact CD-O 3.16Å; P343-F368 HydrophobicContact CG-CB 4.11Å; P343-F368 WeakPolarHBondContact O-CA 3.46Å; P343-Q369 PolarHBondContact O-N 3.3Å
344	N	94.7	Very high	94.4	Very high	75 Å²	75	50.2 Å²	50.2	40%	0.401	27%	0.266	S	S	.	.	S	Bend	trans	-62	-41.3	176.5	-178.2	58.4	0	0	0	112.1	Q369 N370	N344-Q369 PolarHBondContact O-N 3.29Å; N344-N370 WeakPolarHBondContact O-CB 3.32Å; N344-N370 PolarHBondContact O-N 3.15Å; N344-N370 PolarHBondContact OD1-ND2 3.35Å
345	T	95.1	Very high	94.4	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	27%	0.265	C	S	.	.			trans	-151.7	166.5	178.5	-175.1	0	0	0	0	108.8	P343 N370 T375	P343-T345 VanDerWaalsContact C-N 3.33Å; P343-T345 PolarHBondContact O-N 3.32Å; T345-N370 PolarHBondContact OG1-O 2.85Å; T345-T375 PolarHBondContact OG1-OG1 3.01Å
346	I	94.5	Very high	94.3	Very high	8 Å²	8	55 Å²	55	4%	0.041	29%	0.286	C	S	.	.			trans	-120.1	141.6	169.7	58.4	171.7	0	0	0	108.9	L312 T316 P343 M363 L366 F368 T375	L312-I346 HydrophobicContact CD1-CG2 4.25Å; T316-I346 HydrophobicContact CG2-CB 4.24Å; P343-I346 HydrophobicContact CG-CG2 4.22Å; I346-M363 HydrophobicContact CD1-CE 3.93Å; I346-L366 HydrophobicContact CD1-CB 4.33Å; I346-L366 HydrophobicContact CD1-CD1 3.64Å; I346-F368 HydrophobicContact CD1-CD1 3.73Å; I346-F368 HydrophobicContact CD1-CE1 3.63Å; I346-F368 HydrophobicContact CD1-CG 4.3Å; I346-F368 HydrophobicContact CD1-CZ 4.12Å; I346-F368 HydrophobicContact CG1-CD1 3.99Å; I346-F368 HydrophobicContact CG1-CD2 4.19Å; I346-F368 HydrophobicContact CG1-CE1 4.1Å; I346-F368 HydrophobicContact CG1-CE2 4.29Å; I346-F368 HydrophobicContact CG1-CG 4.04Å; I346-F368 HydrophobicContact CG1-CZ 4.25Å; I346-F368 HydrophobicContact CG2-CB 3.9Å; I346-F368 HydrophobicContact CG2-CD1 4.3Å; I346-F368 HydrophobicContact CG2-CG 4.13Å; I346-T375 HydrophobicContact CG1-CG2 4.1Å; I346-T375 VanDerWaalsContact O-CA 3.3Å; I346-T375 WeakPolarHBondContact O-CA 3.42Å; I346-T375 VanDerWaalsContact O-CG2 3.25Å; I346-T375 WeakPolarHBondContact O-CG2 3.29Å
347	N	94.3	Very high	94.3	Very high	90 Å²	90	56.7 Å²	56.7	48%	0.481	30%	0.298	S	S	.	.			trans	-113.5	116.1	173.7	-70.1	-13.1	0	0	0	108	T316	T316-N347 VanDerWaalsContact CA-O 3.3Å; T316-N347 WeakPolarHBondContact CA-O 3.31Å; T316-N347 WeakPolarHBondContact CB-O 3.47Å; T316-N347 WeakPolarHBondContact CG2-O 3.36Å
348	L	95.5	Very high	94.4	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.058	29%	0.291	C	S	.	.			trans	-68	148.4	176.2	-65.7	178.7	0	0	0	111	F333 F352 M363 L376 P378 L379	F333-L348 HydrophobicContact CZ-CD2 4.4Å; L348-F352 HydrophobicContact CB-CD2 4.12Å; L348-F352 HydrophobicContact CB-CE2 4.35Å; L348-F352 HydrophobicContact CD2-CE2 4.15Å; L348-F352 HydrophobicContact CD2-CZ 4.18Å; L348-M363 HydrophobicContact CD1-CE 3.94Å; L348-M363 HydrophobicContact CD1-SD 4.11Å; L348-M363 HydrophobicContact CD2-CE 3.8Å; L348-M363 HydrophobicContact CG-CE 4.22Å; L348-L376 HydrophobicContact CD1-CD2 4.17Å; L348-P378 HydrophobicContact CB-CG 4.09Å; L348-P378 WeakPolarHBondContact O-CG 3.36Å; L348-L379 HydrophobicContact CD1-CD1 3.73Å; L348-L379 HydrophobicContact CD1-CD2 4.24Å; L348-L379 HydrophobicContact CD1-CG 3.93Å
349	S	95.8	Very high	94.5	Very high	7 Å²	7	59.6 Å²	59.6	5%	0.049	30%	0.302	C	S	.	.			trans	-56.7	145.9	171.3	175.8	0	0	0	0	111.2	V315 G317 R318 E351 F352 P378	V315-S349 PolarHBondContact O-N 2.61Å; G317-S349 VanDerWaalsContact O-CB 3.31Å; G317-S349 WeakPolarHBondContact O-CB 3.32Å; G317-S349 PolarHBondContact O-OG 3.01Å; R318-S349 PolarHBondContact O-OG 3.05Å; S349-E351 PolarHBondContact O-N 3.22Å; S349-E351 PolarHBondContact OG-N 3.01Å; S349-F352 WeakPolarHBondContact O-CD2 3.5Å; S349-F352 PolarHBondContact O-N 3.27Å; S349-P378 WeakPolarHBondContact O-CB 3.24Å; S349-P378 VanDerWaalsContact O-CG 3.29Å; S349-P378 WeakPolarHBondContact O-CG 3.18Å
350	T	94.9	Very high	94.7	Very high	103 Å²	103	57.3 Å²	57.3	63%	0.632	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.4	-22.5	173.9	55.2	0	0	0	0	112.5	F352 S353	T350-F352 PolarHBondContact O-N 3.08Å; T350-S353 WeakPolarHBondContact O-CB 3.08Å; T350-S353 PolarHBondContact O-N 3.33Å; T350-S353 VanDerWaalsContact O-N 3.15Å; T350-S353 PolarHBondContact O-OG 3.17Å
351	E	95.8	Very high	95	Very high	25 Å²	25	46.6 Å²	46.6	12%	0.117	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.1	-17.5	179.3	-61.1	-63	161	0	0	113.6	R318 L322 R323 S349 S353 N354	R318-E351 WeakPolarHBondContact O-CG 3.48Å; L322-E351 HydrophobicContact CB-CB 4.16Å; L322-E351 HydrophobicContact CD1-CB 4.3Å; R323-E351 WeakPolarHBondContact CG-OE2 3.38Å; R323-E351 IonicContact CZ-OE1 2.9Å; R323-E351 VanDerWaalsContact CZ-OE1 3.24Å; R323-E351 IonicContact NE-OE1 3.69Å; R323-E351 PolarHBondContact NE-OE1 2.96Å; R323-E351 IonicContact NE-OE2 3.14Å; R323-E351 PolarHBondContact NE-OE2 3.43Å; R323-E351 VanDerWaalsContact NE-OE2 3.08Å; R323-E351 IonicContact NH2-OE1 3.73Å; R323-E351 PolarHBondContact NH2-OE1 3.03Å; S349-E351 PolarHBondContact O-N 3.22Å; S349-E351 PolarHBondContact OG-N 3.01Å; E351-S353 PolarHBondContact O-N 3.45Å; E351-N354 WeakPolarHBondContact O-CB 3.42Å; E351-N354 PolarHBondContact O-N 3.29Å; E351-N354 PolarHBondContact OE2-ND2 2.75Å
352	F	96	Very high	95	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.8	172.5	-85.1	-97.2	0	0	0	112.8	V315 L322 L331 F333 L348 S349 T350 N354 L355 L361 P378 L379 I382	V315-F352 HydrophobicContact CB-CE2 4.17Å; V315-F352 HydrophobicContact CB-CZ 4.13Å; V315-F352 HydrophobicContact CG1-CZ 4.39Å; L322-F352 HydrophobicContact CD1-CD1 4.21Å; L322-F352 HydrophobicContact CD1-CD2 3.55Å; L322-F352 HydrophobicContact CD1-CE1 4.31Å; L322-F352 HydrophobicContact CD1-CE2 3.66Å; L322-F352 HydrophobicContact CD1-CG 3.84Å; L322-F352 HydrophobicContact CD1-CZ 4.06Å; L331-F352 HydrophobicContact CD2-CD1 4.38Å; L331-F352 HydrophobicContact CD2-CE1 3.7Å; L331-F352 HydrophobicContact CD2-CZ 4.43Å; F333-F352 AromaticContact CE1-CE1 3.94Å; F333-F352 HydrophobicContact CE1-CE1 3.94Å; F333-F352 HydrophobicContact CE1-CZ 4.03Å; F333-F352 HydrophobicContact CZ-CE1 4.22Å; F333-F352 HydrophobicContact CZ-CZ 4Å; L348-F352 HydrophobicContact CB-CD2 4.12Å; L348-F352 HydrophobicContact CB-CE2 4.35Å; L348-F352 HydrophobicContact CD2-CE2 4.15Å; L348-F352 HydrophobicContact CD2-CZ 4.18Å; S349-F352 WeakPolarHBondContact O-CD2 3.5Å; S349-F352 PolarHBondContact O-N 3.27Å; T350-F352 PolarHBondContact O-N 3.08Å; F352-N354 PolarHBondContact O-N 3.34Å; F352-L355 HydrophobicContact CD1-CD1 3.97Å; F352-L355 WeakPolarHBondContact O-CB 3.18Å; F352-L355 WeakPolarHBondContact O-CG 3.49Å; F352-L355 PolarHBondContact O-N 2.71Å; F352-L355 VanDerWaalsContact O-N 3.16Å; F352-L361 HydrophobicContact CE1-CD1 4.42Å; F352-P378 HydrophobicContact CB-CB 3.95Å; F352-L379 HydrophobicContact CB-CD2 3.94Å; F352-L379 HydrophobicContact CD1-CD2 3.93Å; F352-L379 HydrophobicContact CG-CD2 4.28Å; F352-I382 WeakPolarHBondContact O-CD1 3.41Å
353	S	93.8	Very high	95	Very high	43 Å²	43	40 Å²	40	30%	0.301	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-62.3	-19.8	174.8	62.7	0	0	0	0	113.5	T350 E351 L355	T350-S353 WeakPolarHBondContact O-CB 3.08Å; T350-S353 PolarHBondContact O-N 3.33Å; T350-S353 VanDerWaalsContact O-N 3.15Å; T350-S353 PolarHBondContact O-OG 3.17Å; E351-S353 PolarHBondContact O-N 3.45Å; S353-L355 VanDerWaalsContact C-N 3.26Å; S353-L355 PolarHBondContact O-N 3.19Å
354	N	93.5	Very high	95	Very high	54 Å²	54	39.5 Å²	39.5	29%	0.289	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-73.9	-14.3	177	-71.6	-41.2	0	0	0	113.8	P326 E351 F352 K356	P326-N354 WeakPolarHBondContact CA-O 3.43Å; E351-N354 WeakPolarHBondContact O-CB 3.42Å; E351-N354 PolarHBondContact O-N 3.29Å; E351-N354 PolarHBondContact OE2-ND2 2.75Å; F352-N354 PolarHBondContact O-N 3.34Å; N354-K356 PolarHBondContact O-N 3.37Å
355	L	95.5	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	-78.8	63.1	-177.4	-57.7	177	0	0	0	111.9	L322 L325 L328 L331 F352 S353 S357 L358 I382	L322-L355 HydrophobicContact CB-CD2 4.47Å; L322-L355 HydrophobicContact CD2-CD1 4.14Å; L322-L355 HydrophobicContact CD2-CD2 4.06Å; L322-L355 HydrophobicContact CD2-CG 4.46Å; L325-L355 HydrophobicContact CB-CD2 4.12Å; L325-L355 WeakPolarHBondContact O-CD2 3.33Å; L328-L355 HydrophobicContact CB-CD2 4.26Å; L328-L355 HydrophobicContact CD2-CD2 4.2Å; L331-L355 HydrophobicContact CD2-CD1 3.75Å; F352-L355 HydrophobicContact CD1-CD1 3.97Å; F352-L355 WeakPolarHBondContact O-CB 3.18Å; F352-L355 WeakPolarHBondContact O-CG 3.49Å; F352-L355 PolarHBondContact O-N 2.71Å; F352-L355 VanDerWaalsContact O-N 3.16Å; S353-L355 VanDerWaalsContact C-N 3.26Å; S353-L355 PolarHBondContact O-N 3.19Å; L355-S357 PolarHBondContact O-N 3.26Å; L355-S357 VanDerWaalsContact O-N 3.16Å; L355-L358 HydrophobicContact CB-CB 3.94Å; L355-L358 HydrophobicContact CB-CD2 4.24Å; L355-L358 HydrophobicContact CD1-CD1 4.49Å; L355-L358 HydrophobicContact CD1-CD2 3.99Å; L355-L358 VanDerWaalsContact O-CB 3.24Å; L355-L358 WeakPolarHBondContact O-CB 3.18Å; L355-L358 PolarHBondContact O-N 3.12Å; L355-L358 VanDerWaalsContact O-N 3.12Å; L355-I382 HydrophobicContact CB-CD1 4.49Å
356	K	93	Very high	94.9	Very high	149 Å²	149	34.5 Å²	34.5	65%	0.648	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.7	-171.4	-63.9	-178.6	-177.2	-178	0	114.5	N354	N354-K356 PolarHBondContact O-N 3.37Å
357	S	95.8	Very high	95	Very high	36 Å²	36	35.2 Å²	35.2	25%	0.252	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	1.3	-178.2	-50	0	0	0	0	113.6	P326 R327 L328 L355 R359	P326-S357 WeakPolarHBondContact O-CB 3.1Å; P326-S357 PolarHBondContact O-N 3.43Å; P326-S357 PolarHBondContact O-OG 2.91Å; R327-S357 WeakPolarHBondContact CA-OG 3.41Å; L328-S357 CarbonylContact O-C 3.57Å; L355-S357 PolarHBondContact O-N 3.26Å; L355-S357 VanDerWaalsContact O-N 3.16Å; S357-R359 PolarHBondContact O-N 3.28Å
358	L	96.5	Very high	95.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.			trans	-63.7	125.8	-173	-170.5	71.7	0	0	0	110.6	L328 L331 L355 T360 L361 I382 N384 L385	L328-L358 WeakPolarHBondContact O-CA 3.1Å; L328-L358 PolarHBondContact O-N 3.3Å; L331-L358 HydrophobicContact CB-CD1 3.8Å; L355-L358 HydrophobicContact CB-CB 3.94Å; L355-L358 HydrophobicContact CB-CD2 4.24Å; L355-L358 HydrophobicContact CD1-CD1 4.49Å; L355-L358 HydrophobicContact CD1-CD2 3.99Å; L355-L358 VanDerWaalsContact O-CB 3.24Å; L355-L358 WeakPolarHBondContact O-CB 3.18Å; L355-L358 PolarHBondContact O-N 3.12Å; L355-L358 VanDerWaalsContact O-N 3.12Å; L358-T360 WeakPolarHBondContact CD1-O 3.43Å; L358-L361 HydrophobicContact CD2-CB 4.2Å; L358-L361 HydrophobicContact CD2-CD1 4.27Å; L358-L361 HydrophobicContact CD2-CD2 4.44Å; L358-I382 HydrophobicContact CB-CG2 4.07Å; L358-I382 HydrophobicContact CD2-CD1 4.05Å; L358-N384 CarbonylContact O-C 3.34Å; L358-L385 HydrophobicContact CD2-CD1 4.14Å; L358-L385 HydrophobicContact CG-CD1 4.18Å; L358-L385 VanDerWaalsContact O-CA 3.28Å; L358-L385 WeakPolarHBondContact O-CA 3.41Å; L358-L385 PolarHBondContact O-N 2.84Å
359	R	95.2	Very high	95.1	Very high	133 Å²	133	33.2 Å²	33.2	50%	0.502	17%	0.17	S	C	.	.			trans	-107.3	-37.3	177.3	-63.3	178.4	-175.7	-96.9	-1	111.7	E329 S357 N384 S386 A387	E329-R359 HydrophobicContact CB-CG 4.5Å; E329-R359 PolarHBondContact O-N 3Å; E329-R359 WeakPolarHBondContact OE2-CD 3.33Å; E329-R359 IonicContact OE2-CZ 2.67Å; E329-R359 IonicContact OE2-NE 3.38Å; E329-R359 PolarHBondContact OE2-NE 3.38Å; S357-R359 PolarHBondContact O-N 3.28Å; R359-N384 WeakPolarHBondContact CA-O 3.36Å; R359-S386 WeakPolarHBondContact O-CA 3.43Å; R359-S386 PolarHBondContact O-N 3.05Å; R359-A387 PolarHBondContact O-N 3.17Å
360	T	94.3	Very high	95.1	Very high	32 Å²	32	33.7 Å²	33.7	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129	-174.3	-53.7	0	0	0	0	110.5	E329 V330 L331 L358 H362 A387	E329-T360 PolarHBondContact O-N 2.94Å; V330-T360 WeakPolarHBondContact CA-O 3.5Å; L331-T360 PolarHBondContact N-O 3.23Å; L331-T360 VanDerWaalsContact N-O 3.13Å; L358-T360 WeakPolarHBondContact CD1-O 3.43Å; T360-H362 WeakPolarHBondContact CG2-NE2 3.29Å; T360-A387 WeakPolarHBondContact CA-O 3.47Å; T360-A387 HydrophobicContact CG2-CB 4.01Å
361	L	96.1	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.1	178	-174.6	60.3	0	0	0	110.5	L331 F333 F352 L358 M363 L379 L385 A387 L388 N389	L331-L361 HydrophobicContact CB-CD1 3.87Å; L331-L361 HydrophobicContact CD2-CD1 3.93Å; L331-L361 HydrophobicContact CG-CD1 3.98Å; F333-L361 HydrophobicContact CD1-CD1 4.46Å; F333-L361 HydrophobicContact CE1-CD1 3.77Å; F352-L361 HydrophobicContact CE1-CD1 4.42Å; L358-L361 HydrophobicContact CD2-CB 4.2Å; L358-L361 HydrophobicContact CD2-CD1 4.27Å; L358-L361 HydrophobicContact CD2-CD2 4.44Å; L361-M363 HydrophobicContact CD2-CG 4.3Å; L361-M363 HydrophobicContact CD2-SD 3.75Å; L361-M363 HydrophobicContact CG-CG 3.99Å; L361-M363 HydrophobicContact CG-SD 4.12Å; L361-L379 HydrophobicContact CD2-CD1 3.5Å; L361-L379 HydrophobicContact CD2-CD2 3.75Å; L361-L379 HydrophobicContact CD2-CG 4.3Å; L361-L385 HydrophobicContact CB-CD1 4.04Å; L361-A387 PolarHBondContact N-O 2.62Å; L361-L388 HydrophobicContact CB-CD1 4.08Å; L361-L388 HydrophobicContact CD2-CD1 3.95Å; L361-L388 HydrophobicContact CG-CD1 4.2Å; L361-N389 PolarHBondContact O-N 3.07Å
362	H	94.6	Very high	95	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.6	177.6	-61.5	-73.2	0	0	0	111.6	L331 E332 F333 T360 N389 L457	L331-H362 PolarHBondContact O-N 3.3Å; E332-H362 HydrophobicContact CB-CB 4.32Å; E332-H362 HydrophobicContact CG-CB 4.39Å; E332-H362 VanDerWaalsContact OE1-CB 3.23Å; E332-H362 WeakPolarHBondContact OE1-CB 3.46Å; E332-H362 WeakPolarHBondContact OE2-CB 3.38Å; E332-H362 IonicContact OE2-CD2 3.05Å; E332-H362 PolarHBondContact OE2-CD2 3.23Å; E332-H362 IonicContact OE2-CG 2.6Å; E332-H362 IonicContact OE2-ND1 2.95Å; F333-H362 PolarHBondContact N-O 3.15Å; T360-H362 WeakPolarHBondContact CG2-NE2 3.29Å; H362-N389 WeakPolarHBondContact ND1-CB 3.28Å; H362-N389 PolarHBondContact ND1-ND2 3.13Å; H362-L457 WeakPolarHBondContact CE1-CD1 3.28Å; H362-L457 WeakPolarHBondContact CE1-CD2 3.22Å
363	M	95.7	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.			trans	-133.9	36.3	-173.6	-66	-177.8	59.3	0	0	109.9	F333 I346 L348 L361 L366 L376 L388 N389 L390 N393	F333-M363 HydrophobicContact CE1-CG 3.83Å; F333-M363 HydrophobicContact CE2-CG 4.2Å; F333-M363 HydrophobicContact CZ-CB 4.48Å; F333-M363 HydrophobicContact CZ-CE 4.19Å; F333-M363 HydrophobicContact CZ-CG 3.49Å; F333-M363 VanDerWaalsContact CZ-CG 3.49Å; F333-M363 HydrophobicContact CZ-SD 4.12Å; I346-M363 HydrophobicContact CD1-CE 3.93Å; L348-M363 HydrophobicContact CD1-CE 3.94Å; L348-M363 HydrophobicContact CD1-SD 4.11Å; L348-M363 HydrophobicContact CD2-CE 3.8Å; L348-M363 HydrophobicContact CG-CE 4.22Å; L361-M363 HydrophobicContact CD2-CG 4.3Å; L361-M363 HydrophobicContact CD2-SD 3.75Å; L361-M363 HydrophobicContact CG-CG 3.99Å; L361-M363 HydrophobicContact CG-SD 4.12Å; M363-L366 HydrophobicContact CB-CD1 3.77Å; M363-L366 HydrophobicContact CB-CG 4.47Å; M363-L366 HydrophobicContact CE-CD1 3.61Å; M363-L366 HydrophobicContact CG-CD1 4.25Å; M363-L376 HydrophobicContact CE-CD2 4.2Å; M363-L376 HydrophobicContact SD-CD2 4.39Å; M363-L388 HydrophobicContact SD-CD1 4.3Å; M363-N389 CarbonylContact C-O 3.36Å; M363-N389 WeakPolarHBondContact CA-O 3.43Å; M363-N389 WeakPolarHBondContact CB-O 3.39Å; M363-N389 PolarHBondContact N-O 3.02Å; M363-L390 HydrophobicContact CB-CD2 3.82Å; M363-L390 HydrophobicContact CE-CD2 4.11Å; M363-L390 HydrophobicContact SD-CD2 4.12Å; M363-N393 PolarHBondContact O-ND2 3.04Å; M363-N393 PolarHBondContact O-OD1 3Å
364	E	93.6	Very high	94.5	Very high	26 Å²	26	36.6 Å²	36.6	12%	0.121	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	151.9	179.5	-55.9	172.7	-121.7	0	0	110.5	S334 F335 L366 N389 G391	S334-E364 CarbonylContact C-O 3.45Å; S334-E364 WeakPolarHBondContact CA-O 3.11Å; S334-E364 WeakPolarHBondContact CB-O 3.39Å; S334-E364 WeakPolarHBondContact OG-CB 3.38Å; S334-E364 PolarHBondContact OG-N 2.8Å; F335-E364 HydrophobicContact CE2-CB 4.31Å; F335-E364 PolarHBondContact N-O 3.3Å; E364-L366 VanDerWaalsContact C-N 3.25Å; E364-L366 PolarHBondContact O-N 2.7Å; E364-L366 VanDerWaalsContact O-N 3.1Å; E364-N389 VanDerWaalsContact CD-ND2 3.27Å; E364-N389 WeakPolarHBondContact CG-OD1 3.41Å; E364-N389 PolarHBondContact OE1-ND2 3.21Å; E364-G391 WeakPolarHBondContact CA-O 3.18Å; E364-G391 WeakPolarHBondContact CB-O 3.33Å
365	G	93.4	Very high	94.5	Very high	1 Å²	1	34 Å²	34	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	34	170.2	0	0	0	0	0	115.2	F335 Y337 G391 T392 N393	F335-G365 VanDerWaalsContact CA-O 3.32Å; F335-G365 WeakPolarHBondContact CA-O 3.48Å; Y337-G365 WeakPolarHBondContact CB-O 3.44Å; Y337-G365 VanDerWaalsContact CD1-O 3.29Å; Y337-G365 WeakPolarHBondContact CD1-O 3.1Å; Y337-G365 PolarHBondContact N-O 2.78Å; G365-G391 PolarHBondContact N-O 2.91Å; G365-T392 VanDerWaalsContact CA-O 3.3Å; G365-T392 WeakPolarHBondContact CA-O 3.06Å; G365-T392 PolarHBondContact N-O 3.19Å; G365-N393 PolarHBondContact N-OD1 3.22Å
366	L	95.6	Very high	94.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.168	C	C	.	.			trans	-82.3	-22.7	166.2	-57.6	-178.7	0	0	0	111.9	L312 F333 N336 Y337 I346 M363 E364 F368 N393	L312-L366 HydrophobicContact CD1-CB 4.45Å; F333-L366 HydrophobicContact CD2-CD1 4.44Å; F333-L366 HydrophobicContact CD2-CD2 3.85Å; F333-L366 HydrophobicContact CE2-CD1 3.65Å; F333-L366 HydrophobicContact CE2-CD2 3.87Å; F333-L366 HydrophobicContact CE2-CG 4.38Å; F333-L366 HydrophobicContact CZ-CD1 4.34Å; N336-L366 HydrophobicContact CB-CD2 4.1Å; Y337-L366 WeakPolarHBondContact CB-O 3.21Å; I346-L366 HydrophobicContact CD1-CB 4.33Å; I346-L366 HydrophobicContact CD1-CD1 3.64Å; M363-L366 HydrophobicContact CB-CD1 3.77Å; M363-L366 HydrophobicContact CB-CG 4.47Å; M363-L366 HydrophobicContact CE-CD1 3.61Å; M363-L366 HydrophobicContact CG-CD1 4.25Å; E364-L366 VanDerWaalsContact C-N 3.25Å; E364-L366 PolarHBondContact O-N 2.7Å; E364-L366 VanDerWaalsContact O-N 3.1Å; L366-F368 HydrophobicContact CB-CD1 4.21Å; L366-F368 HydrophobicContact CB-CE1 4.4Å; L366-N393 WeakPolarHBondContact CA-OD1 3.26Å; L366-N393 WeakPolarHBondContact CB-OD1 3.4Å; L366-N393 PolarHBondContact N-OD1 3.44Å
367	V	95.7	Very high	94.6	Very high	23 Å²	23	32.9 Å²	32.9	14%	0.139	16%	0.162	C	C	.	.			trans	65.1	88.8	171	-174.6	0	0	0	0	112.4	Y337 Y342 P343 N393 F394	Y337-V367 HydrophobicContact CD1-CG2 4.39Å; Y337-V367 HydrophobicContact CD2-CG2 4.36Å; Y337-V367 HydrophobicContact CG-CG2 3.9Å; Y342-V367 HydrophobicContact CD2-CG1 3.66Å; Y342-V367 HydrophobicContact CE2-CG1 4.14Å; Y342-V367 HydrophobicContact CG-CG1 4.43Å; P343-V367 WeakPolarHBondContact CD-O 3.16Å; V367-N393 WeakPolarHBondContact CA-O 3.19Å; V367-N393 PolarHBondContact N-OD1 3.17Å; V367-N393 VanDerWaalsContact N-OD1 3.1Å; V367-F394 HydrophobicContact CG1-CD2 4.19Å; V367-F394 HydrophobicContact CG2-CD2 4.08Å; V367-F394 HydrophobicContact CG2-CE2 4.25Å
368	F	96.6	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.			trans	-151.5	154	179.3	65.1	-82.6	0	0	0	111.9	Y342 P343 I346 L366 I371 T375 L390 N393 I395	Y342-F368 VanDerWaalsContact CE2-C 3.48Å; P343-F368 HydrophobicContact CG-CB 4.11Å; P343-F368 WeakPolarHBondContact O-CA 3.46Å; I346-F368 HydrophobicContact CD1-CD1 3.73Å; I346-F368 HydrophobicContact CD1-CE1 3.63Å; I346-F368 HydrophobicContact CD1-CG 4.3Å; I346-F368 HydrophobicContact CD1-CZ 4.12Å; I346-F368 HydrophobicContact CG1-CD1 3.99Å; I346-F368 HydrophobicContact CG1-CD2 4.19Å; I346-F368 HydrophobicContact CG1-CE1 4.1Å; I346-F368 HydrophobicContact CG1-CE2 4.29Å; I346-F368 HydrophobicContact CG1-CG 4.04Å; I346-F368 HydrophobicContact CG1-CZ 4.25Å; I346-F368 HydrophobicContact CG2-CB 3.9Å; I346-F368 HydrophobicContact CG2-CD1 4.3Å; I346-F368 HydrophobicContact CG2-CG 4.13Å; L366-F368 HydrophobicContact CB-CD1 4.21Å; L366-F368 HydrophobicContact CB-CE1 4.4Å; F368-I371 HydrophobicContact CE2-CG1 3.84Å; F368-I371 HydrophobicContact CZ-CG1 4.29Å; F368-T375 HydrophobicContact CE2-CG2 4.25Å; F368-L390 HydrophobicContact CZ-CD2 4.38Å; F368-N393 HydrophobicContact CD1-CB 4.2Å; F368-N393 HydrophobicContact CE1-CB 3.89Å; F368-N393 PolarHBondContact N-O 2.97Å; F368-I395 HydrophobicContact CD2-CG1 4.37Å; F368-I395 HydrophobicContact CE1-CD1 4.29Å; F368-I395 HydrophobicContact CE1-CG1 4.39Å; F368-I395 HydrophobicContact CE2-CD1 4.08Å; F368-I395 HydrophobicContact CE2-CG1 3.97Å; F368-I395 HydrophobicContact CZ-CD1 3.72Å; F368-I395 HydrophobicContact CZ-CG1 3.98Å; F368-I395 WeakPolarHBondContact O-CA 3.42Å
369	Q	95.4	Very high	94.5	Very high	58 Å²	58	32 Å²	32	27%	0.271	16%	0.155	S	C	.	.	S	Bend	trans	-80.2	-43.7	-166.8	-65	175.3	44.9	0	0	113.9	Y342 P343 N344 I395 I396 Q397	Y342-Q369 HydrophobicContact CD1-CG 3.97Å; Y342-Q369 HydrophobicContact CD2-CG 3.98Å; Y342-Q369 HydrophobicContact CE1-CG 3.54Å; Y342-Q369 HydrophobicContact CE2-CB 4.42Å; Y342-Q369 HydrophobicContact CE2-CG 3.57Å; Y342-Q369 HydrophobicContact CG-CG 4.18Å; Y342-Q369 PolarHBondContact O-NE2 2.69Å; P343-Q369 PolarHBondContact O-N 3.3Å; N344-Q369 PolarHBondContact O-N 3.29Å; Q369-I395 CarbonylContact O-C 3.54Å; Q369-I395 WeakPolarHBondContact O-CA 3.23Å; Q369-I395 WeakPolarHBondContact O-CG2 3.27Å; Q369-I396 HydrophobicContact CB-CD1 4.32Å; Q369-I396 HydrophobicContact CB-CG1 4.44Å; Q369-I396 HydrophobicContact CG-CD1 4.13Å; Q369-I396 PolarHBondContact O-N 2.91Å; Q369-Q397 PolarHBondContact O-N 3.15Å
370	N	95.6	Very high	94.4	Very high	18 Å²	18	27.2 Å²	27.2	10%	0.096	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.1	-165.1	-61.1	-46.1	0	0	0	112.9	N344 T345 Q372 Q397	N344-N370 WeakPolarHBondContact O-CB 3.32Å; N344-N370 PolarHBondContact O-N 3.15Å; N344-N370 PolarHBondContact OD1-ND2 3.35Å; T345-N370 PolarHBondContact OG1-O 2.85Å; N370-Q372 HydrophobicContact CB-CG 4.47Å; N370-Q397 VanDerWaalsContact CA-O 3.29Å; N370-Q397 WeakPolarHBondContact CA-O 3.04Å; N370-Q397 VanDerWaalsContact OD1-CB 3.29Å; N370-Q397 WeakPolarHBondContact OD1-CB 3.48Å; N370-Q397 PolarHBondContact OD1-N 3.18Å
371	I	95.4	Very high	94.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.3	165.6	-58.7	173.9	0	0	0	108.6	F368 L376 L390 I395 Q397 A398 D399 V402 F403 L414	F368-I371 HydrophobicContact CE2-CG1 3.84Å; F368-I371 HydrophobicContact CZ-CG1 4.29Å; I371-L376 HydrophobicContact CG2-CD1 4.34Å; I371-L390 HydrophobicContact CD1-CD1 4.01Å; I371-I395 HydrophobicContact CD1-CD1 3.95Å; I371-I395 HydrophobicContact CG1-CD1 4.17Å; I371-I395 HydrophobicContact CG1-CG2 4.25Å; I371-Q397 PolarHBondContact N-O 2.81Å; I371-A398 HydrophobicContact CB-CB 4.14Å; I371-A398 HydrophobicContact CD1-CB 3.99Å; I371-A398 HydrophobicContact CG1-CB 4.35Å; I371-D399 PolarHBondContact O-N 3.01Å; I371-D399 VanDerWaalsContact O-N 3.13Å; I371-V402 HydrophobicContact CG2-CB 4.43Å; I371-V402 HydrophobicContact CG2-CG1 4.18Å; I371-V402 HydrophobicContact CG2-CG2 4.33Å; I371-F403 HydrophobicContact CD1-CZ 4.04Å; I371-L414 HydrophobicContact CD1-CD2 3.92Å
372	Q	93	Very high	94	Very high	81 Å²	81	33.3 Å²	33.3	38%	0.379	16%	0.164	S	C	.	.			trans	-113.2	165.4	179.2	-65.6	-176.5	-28.4	0	0	110.9	N370 D374 T375	N370-Q372 HydrophobicContact CB-CG 4.47Å; Q372-D374 PolarHBondContact O-N 3.47Å; Q372-T375 PolarHBondContact N-OG1 2.83Å; Q372-T375 WeakPolarHBondContact O-CB 3.37Å; Q372-T375 PolarHBondContact O-N 3.4Å; Q372-T375 PolarHBondContact O-OG1 3.15Å
373	P	89.6	Confident	93.8	Very high	52 Å²	52	42.2 Å²	42.2	34%	0.338	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-28.2	179.2	-32.3	38.2	0	0	0	116.6	Y380	P373-Y380 PolarHBondContact O-OH 3.03Å
374	D	90.6	Very high	93.6	Very high	95 Å²	95	46.3 Å²	46.3	51%	0.508	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-16.8	179.7	-67.6	-45.2	0	0	0	113.9	Q372 L376 K377	Q372-D374 PolarHBondContact O-N 3.47Å; D374-L376 VanDerWaalsContact C-N 3.31Å; D374-L376 PolarHBondContact O-N 3.49Å; D374-K377 WeakPolarHBondContact O-CB 3.35Å; D374-K377 PolarHBondContact O-N 3.23Å
375	T	94.3	Very high	93.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-44.5	-174.3	-58.7	0	0	0	0	112.4	T345 I346 F368 Q372	T345-T375 PolarHBondContact OG1-OG1 3.01Å; I346-T375 HydrophobicContact CG1-CG2 4.1Å; I346-T375 VanDerWaalsContact O-CA 3.3Å; I346-T375 WeakPolarHBondContact O-CA 3.42Å; I346-T375 VanDerWaalsContact O-CG2 3.25Å; I346-T375 WeakPolarHBondContact O-CG2 3.29Å; F368-T375 HydrophobicContact CE2-CG2 4.25Å; Q372-T375 PolarHBondContact N-OG1 2.83Å; Q372-T375 WeakPolarHBondContact O-CB 3.37Å; Q372-T375 PolarHBondContact O-N 3.4Å; Q372-T375 PolarHBondContact O-OG1 3.15Å
376	L	95.3	Very high	93.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	13.1	-174.6	-57	177	0	0	0	113.1	L348 M363 I371 D374 P378 L379 Y380 L388 L390 V402 F403 F406	L348-L376 HydrophobicContact CD1-CD2 4.17Å; M363-L376 HydrophobicContact CE-CD2 4.2Å; M363-L376 HydrophobicContact SD-CD2 4.39Å; I371-L376 HydrophobicContact CG2-CD1 4.34Å; D374-L376 VanDerWaalsContact C-N 3.31Å; D374-L376 PolarHBondContact O-N 3.49Å; L376-P378 VanDerWaalsContact C-CD 3.43Å; L376-L379 HydrophobicContact CB-CD1 4.31Å; L376-L379 HydrophobicContact CD2-CD1 4.09Å; L376-L379 WeakPolarHBondContact O-CB 3.32Å; L376-L379 PolarHBondContact O-N 2.75Å; L376-Y380 HydrophobicContact CB-CE1 4.17Å; L376-L388 HydrophobicContact CD1-CD2 4.07Å; L376-L390 HydrophobicContact CD1-CD1 4.13Å; L376-V402 HydrophobicContact CB-CG1 4.49Å; L376-V402 HydrophobicContact CD1-CG1 4.17Å; L376-F403 HydrophobicContact CD1-CE1 4.47Å; L376-F406 HydrophobicContact CB-CE2 4.48Å; L376-F406 HydrophobicContact CB-CZ 3.88Å; L376-F406 HydrophobicContact CD1-CE2 4.31Å; L376-F406 HydrophobicContact CD1-CZ 3.97Å
377	K	94.4	Very high	93.4	Very high	123 Å²	123	48 Å²	48	54%	0.535	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-52.2	-41.9	-172.8	-179.2	179.6	-178.6	177.6	0	115.2	D374 L379 Y380	D374-K377 WeakPolarHBondContact O-CB 3.35Å; D374-K377 PolarHBondContact O-N 3.23Å; K377-L379 PolarHBondContact O-N 3.39Å; K377-L379 VanDerWaalsContact O-N 3.1Å; K377-Y380 VanDerWaalsContact CA-CE2 3.47Å; K377-Y380 HydrophobicContact CB-CD2 4.36Å; K377-Y380 HydrophobicContact CB-CE2 3.94Å; K377-Y380 HydrophobicContact CG-CD2 4.22Å; K377-Y380 HydrophobicContact CG-CE2 4.12Å; K377-Y380 PolarHBondContact O-N 3.16Å
378	P	94.8	Very high	93.4	Very high	17 Å²	17	46.9 Å²	46.9	11%	0.11	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61.4	-17.7	177.9	-25.6	36.6	0	0	0	114.9	L348 S349 F352 L376	L348-P378 HydrophobicContact CB-CG 4.09Å; L348-P378 WeakPolarHBondContact O-CG 3.36Å; S349-P378 WeakPolarHBondContact O-CB 3.24Å; S349-P378 VanDerWaalsContact O-CG 3.29Å; S349-P378 WeakPolarHBondContact O-CG 3.18Å; F352-P378 HydrophobicContact CB-CB 3.95Å; L376-P378 VanDerWaalsContact C-CD 3.43Å
379	L	95.1	Very high	93.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-89.4	-14.7	-176.5	-54.5	177.9	0	0	0	113.4	L348 F352 L361 L376 K377 E381 I382 L388 F406	L348-L379 HydrophobicContact CD1-CD1 3.73Å; L348-L379 HydrophobicContact CD1-CD2 4.24Å; L348-L379 HydrophobicContact CD1-CG 3.93Å; F352-L379 HydrophobicContact CB-CD2 3.94Å; F352-L379 HydrophobicContact CD1-CD2 3.93Å; F352-L379 HydrophobicContact CG-CD2 4.28Å; L361-L379 HydrophobicContact CD2-CD1 3.5Å; L361-L379 HydrophobicContact CD2-CD2 3.75Å; L361-L379 HydrophobicContact CD2-CG 4.3Å; L376-L379 HydrophobicContact CB-CD1 4.31Å; L376-L379 HydrophobicContact CD2-CD1 4.09Å; L376-L379 WeakPolarHBondContact O-CB 3.32Å; L376-L379 PolarHBondContact O-N 2.75Å; K377-L379 PolarHBondContact O-N 3.39Å; K377-L379 VanDerWaalsContact O-N 3.1Å; L379-E381 PolarHBondContact O-N 3.18Å; L379-I382 HydrophobicContact CB-CD1 4.4Å; L379-I382 HydrophobicContact CD2-CD1 3.74Å; L379-I382 WeakPolarHBondContact O-CB 3.44Å; L379-I382 PolarHBondContact O-N 2.92Å; L379-I382 VanDerWaalsContact O-N 3.14Å; L379-L388 HydrophobicContact CD1-CD1 4.49Å; L379-F406 HydrophobicContact CB-CE1 3.67Å; L379-F406 HydrophobicContact CB-CZ 4.23Å; L379-F406 HydrophobicContact CD1-CE1 4.43Å
380	Y	93.1	Very high	93.3	Very high	34 Å²	34	44.2 Å²	44.2	13%	0.133	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30	-172.8	-60.9	-22.4	0	0	0	113.3	P373 L376 K377 I382 V402 K405 F406	P373-Y380 PolarHBondContact O-OH 3.03Å; L376-Y380 HydrophobicContact CB-CE1 4.17Å; K377-Y380 VanDerWaalsContact CA-CE2 3.47Å; K377-Y380 HydrophobicContact CB-CD2 4.36Å; K377-Y380 HydrophobicContact CB-CE2 3.94Å; K377-Y380 HydrophobicContact CG-CD2 4.22Å; K377-Y380 HydrophobicContact CG-CE2 4.12Å; K377-Y380 PolarHBondContact O-N 3.16Å; Y380-I382 VanDerWaalsContact C-N 3.33Å; Y380-V402 HydrophobicContact CE1-CG1 4.15Å; Y380-V402 WeakPolarHBondContact OH-CG1 3.49Å; Y380-K405 HydrophobicContact CD1-CB 3.98Å; Y380-K405 HydrophobicContact CD2-CB 4.13Å; Y380-K405 HydrophobicContact CD2-CD 4.03Å; Y380-K405 HydrophobicContact CE1-CB 4.07Å; Y380-K405 HydrophobicContact CE1-CD 4.46Å; Y380-K405 HydrophobicContact CE2-CB 4.22Å; Y380-K405 HydrophobicContact CE2-CD 3.5Å; Y380-K405 VanDerWaalsContact CE2-CD 3.5Å; Y380-K405 HydrophobicContact CG-CB 4.04Å; Y380-F406 HydrophobicContact CD1-CD1 4.44Å; Y380-F406 HydrophobicContact CD1-CD2 4.03Å; Y380-F406 HydrophobicContact CD1-CE1 4.19Å; Y380-F406 AromaticContact CD1-CE2 3.76Å; Y380-F406 HydrophobicContact CD1-CE2 3.76Å; Y380-F406 HydrophobicContact CD1-CG 4.38Å; Y380-F406 AromaticContact CD1-CZ 3.86Å; Y380-F406 HydrophobicContact CD1-CZ 3.86Å; Y380-F406 HydrophobicContact CE1-CD2 4.09Å; Y380-F406 AromaticContact CE1-CE2 3.51Å; Y380-F406 HydrophobicContact CE1-CE2 3.51Å; Y380-F406 AromaticContact CE1-CZ 3.79Å; Y380-F406 HydrophobicContact CE1-CZ 3.79Å
381	E	88.4	Confident	93.3	Very high	155 Å²	155	43.4 Å²	43.4	72%	0.724	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.2	-178.7	-61	-173	170.9	0	0	113.6	L379 R383	L379-E381 PolarHBondContact O-N 3.18Å; E381-R383 PolarHBondContact O-N 2.99Å; E381-R383 VanDerWaalsContact O-N 3.13Å
382	I	93.4	Very high	93.2	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	22%	0.217	C	C	.	.			trans	-79.6	99.6	-176.8	-54.2	178.5	0	0	0	109.9	F352 L355 L358 L379 Y380 N384 L385	F352-I382 WeakPolarHBondContact O-CD1 3.41Å; L355-I382 HydrophobicContact CB-CD1 4.49Å; L358-I382 HydrophobicContact CB-CG2 4.07Å; L358-I382 HydrophobicContact CD2-CD1 4.05Å; L379-I382 HydrophobicContact CB-CD1 4.4Å; L379-I382 HydrophobicContact CD2-CD1 3.74Å; L379-I382 WeakPolarHBondContact O-CB 3.44Å; L379-I382 PolarHBondContact O-N 2.92Å; L379-I382 VanDerWaalsContact O-N 3.14Å; Y380-I382 VanDerWaalsContact C-N 3.33Å; I382-N384 PolarHBondContact O-N 2.94Å; I382-L385 HydrophobicContact CB-CB 4.28Å; I382-L385 HydrophobicContact CG2-CB 3.88Å
383	R	90.4	Very high	93.4	Very high	193 Å²	193	40.5 Å²	40.5	73%	0.728	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.8	-174.5	-57.3	-162.1	173.7	-177.6	-1	115.2	E381 L385	E381-R383 PolarHBondContact O-N 2.99Å; E381-R383 VanDerWaalsContact O-N 3.13Å; R383-L385 VanDerWaalsContact C-N 3.32Å
384	N	92	Very high	93.7	Very high	86 Å²	86	41.9 Å²	41.9	46%	0.46	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.7	-174.7	-71	-4.5	0	0	0	113.1	L358 R359 I382 S386	L358-N384 CarbonylContact O-C 3.34Å; R359-N384 WeakPolarHBondContact CA-O 3.36Å; I382-N384 PolarHBondContact O-N 2.94Å; N384-S386 PolarHBondContact O-N 2.91Å
385	L	94.3	Very high	94	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	18%	0.175	C	C	.	.			trans	-65.3	120.4	-177.8	-172.9	64.5	0	0	0	109	L358 L361 I382 R383 F406 L409	L358-L385 HydrophobicContact CD2-CD1 4.14Å; L358-L385 HydrophobicContact CG-CD1 4.18Å; L358-L385 VanDerWaalsContact O-CA 3.28Å; L358-L385 WeakPolarHBondContact O-CA 3.41Å; L358-L385 PolarHBondContact O-N 2.84Å; L361-L385 HydrophobicContact CB-CD1 4.04Å; I382-L385 HydrophobicContact CB-CB 4.28Å; I382-L385 HydrophobicContact CG2-CB 3.88Å; R383-L385 VanDerWaalsContact C-N 3.32Å; L385-F406 HydrophobicContact CD2-CD1 4.08Å; L385-F406 HydrophobicContact CD2-CE1 3.99Å; L385-L409 HydrophobicContact CB-CD2 4.18Å; L385-L409 HydrophobicContact CD2-CD2 3.99Å; L385-L409 HydrophobicContact CG-CD2 3.76Å; L385-L409 WeakPolarHBondContact O-CD2 3.45Å
386	S	92	Very high	94.1	Very high	48 Å²	48	39.9 Å²	39.9	34%	0.336	19%	0.188	S	C	.	.			trans	-114.5	-36.8	-174.3	176.1	0	0	0	0	111.2	R359 N384 L409 K410 M411	R359-S386 WeakPolarHBondContact O-CA 3.43Å; R359-S386 PolarHBondContact O-N 3.05Å; N384-S386 PolarHBondContact O-N 2.91Å; S386-L409 CarbonylContact O-C 3.59Å; S386-K410 WeakPolarHBondContact O-CA 3.32Å; S386-K410 WeakPolarHBondContact O-CB 3.4Å; S386-K410 PolarHBondContact O-N 3.26Å; S386-K410 VanDerWaalsContact OG-CB 3.27Å; S386-K410 WeakPolarHBondContact OG-CB 3.49Å; S386-M411 PolarHBondContact O-N 3.15Å
387	A	92.4	Very high	93.9	Very high	10 Å²	10	44.4 Å²	44.4	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.5	-177.9	0	0	0	0	0	111.4	R359 T360 L361 M411	R359-A387 PolarHBondContact O-N 3.17Å; T360-A387 WeakPolarHBondContact CA-O 3.47Å; T360-A387 HydrophobicContact CG2-CB 4.01Å; L361-A387 PolarHBondContact N-O 2.62Å; A387-M411 HydrophobicContact CB-CB 4.15Å; A387-M411 HydrophobicContact CB-CE 4.11Å; A387-M411 HydrophobicContact CB-SD 4.31Å
388	L	95.1	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118	175.6	179.5	62.5	0	0	0	109.5	L361 M363 L376 L379 L390 F403 F406 L409 M411 Y413	L361-L388 HydrophobicContact CB-CD1 4.08Å; L361-L388 HydrophobicContact CD2-CD1 3.95Å; L361-L388 HydrophobicContact CG-CD1 4.2Å; M363-L388 HydrophobicContact SD-CD1 4.3Å; L376-L388 HydrophobicContact CD1-CD2 4.07Å; L379-L388 HydrophobicContact CD1-CD1 4.49Å; L388-L390 HydrophobicContact CD1-CG 4.45Å; L388-L390 HydrophobicContact CD2-CD1 3.89Å; L388-L390 HydrophobicContact CG-CD1 4.05Å; L388-L390 HydrophobicContact CG-CG 4.17Å; L388-F403 HydrophobicContact CD2-CE1 4.27Å; L388-F406 HydrophobicContact CD2-CE1 4.34Å; L388-F406 HydrophobicContact CD2-CZ 4.09Å; L388-L409 HydrophobicContact CB-CD1 4.14Å; L388-L409 HydrophobicContact CD2-CD1 4.37Å; L388-M411 PolarHBondContact N-O 2.67Å; L388-Y413 PolarHBondContact O-N 2.98Å
389	N	94.8	Very high	93.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.5	-179.5	-175.4	-8.5	0	0	0	111.4	L361 H362 M363 E364 G391 Y413	L361-N389 PolarHBondContact O-N 3.07Å; H362-N389 WeakPolarHBondContact ND1-CB 3.28Å; H362-N389 PolarHBondContact ND1-ND2 3.13Å; M363-N389 CarbonylContact C-O 3.36Å; M363-N389 WeakPolarHBondContact CA-O 3.43Å; M363-N389 WeakPolarHBondContact CB-O 3.39Å; M363-N389 PolarHBondContact N-O 3.02Å; E364-N389 VanDerWaalsContact CD-ND2 3.27Å; E364-N389 WeakPolarHBondContact CG-OD1 3.41Å; E364-N389 PolarHBondContact OE1-ND2 3.21Å; N389-G391 PolarHBondContact OD1-N 3.12Å; N389-Y413 WeakPolarHBondContact OD1-CD1 3.1Å
390	L	96.3	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.			trans	-120.9	28.7	-179.6	-68.9	162.8	0	0	0	110.6	M363 F368 I371 L376 L388 N393 I395 F403 Y413 L414 N417	M363-L390 HydrophobicContact CB-CD2 3.82Å; M363-L390 HydrophobicContact CE-CD2 4.11Å; M363-L390 HydrophobicContact SD-CD2 4.12Å; F368-L390 HydrophobicContact CZ-CD2 4.38Å; I371-L390 HydrophobicContact CD1-CD1 4.01Å; L376-L390 HydrophobicContact CD1-CD1 4.13Å; L388-L390 HydrophobicContact CD1-CG 4.45Å; L388-L390 HydrophobicContact CD2-CD1 3.89Å; L388-L390 HydrophobicContact CG-CD1 4.05Å; L388-L390 HydrophobicContact CG-CG 4.17Å; L390-N393 PolarHBondContact O-ND2 2.93Å; L390-I395 HydrophobicContact CB-CD1 4.48Å; L390-F403 HydrophobicContact CD1-CE1 4.27Å; L390-F403 HydrophobicContact CD1-CZ 4.38Å; L390-Y413 CarbonylContact C-O 3.54Å; L390-Y413 WeakPolarHBondContact CA-O 3.4Å; L390-Y413 PolarHBondContact N-O 2.97Å; L390-L414 HydrophobicContact CB-CD2 3.8Å; L390-L414 HydrophobicContact CD1-CD2 4.09Å; L390-N417 PolarHBondContact O-ND2 2.84Å
391	G	94.1	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	158.2	179	0	0	0	0	0	114	E364 G365 N389 N393 A415	E364-G391 WeakPolarHBondContact CA-O 3.18Å; E364-G391 WeakPolarHBondContact CB-O 3.33Å; G365-G391 PolarHBondContact N-O 2.91Å; N389-G391 PolarHBondContact OD1-N 3.12Å; G391-N393 PolarHBondContact O-N 2.89Å; G391-N393 PolarHBondContact O-ND2 2.94Å; G391-N393 VanDerWaalsContact O-ND2 3.1Å; G391-A415 WeakPolarHBondContact CA-O 3.35Å
392	T	94.6	Very high	93.4	Very high	24 Å²	24	36.1 Å²	36.1	15%	0.147	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.6	168	-37.7	0	0	0	0	114	F335 G365 A415 E416	F335-T392 HydrophobicContact CE1-CG2 4.28Å; G365-T392 VanDerWaalsContact CA-O 3.3Å; G365-T392 WeakPolarHBondContact CA-O 3.06Å; G365-T392 PolarHBondContact N-O 3.19Å; T392-A415 PolarHBondContact N-O 3.29Å; T392-A415 VanDerWaalsContact N-O 3.09Å; T392-E416 WeakPolarHBondContact CA-O 3.17Å; T392-E416 PolarHBondContact OG1-OE2 3.01Å
393	N	96.8	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-96.9	-2.3	179.7	-82.8	-63.7	0	0	0	113.4	M363 G365 L366 V367 F368 L390 G391 I395 N417	M363-N393 PolarHBondContact O-ND2 3.04Å; M363-N393 PolarHBondContact O-OD1 3Å; G365-N393 PolarHBondContact N-OD1 3.22Å; L366-N393 WeakPolarHBondContact CA-OD1 3.26Å; L366-N393 WeakPolarHBondContact CB-OD1 3.4Å; L366-N393 PolarHBondContact N-OD1 3.44Å; V367-N393 WeakPolarHBondContact CA-O 3.19Å; V367-N393 PolarHBondContact N-OD1 3.17Å; V367-N393 VanDerWaalsContact N-OD1 3.1Å; F368-N393 HydrophobicContact CD1-CB 4.2Å; F368-N393 HydrophobicContact CE1-CB 3.89Å; F368-N393 PolarHBondContact N-O 2.97Å; L390-N393 PolarHBondContact O-ND2 2.93Å; G391-N393 PolarHBondContact O-N 2.89Å; G391-N393 PolarHBondContact O-ND2 2.94Å; G391-N393 VanDerWaalsContact O-ND2 3.1Å; N393-I395 HydrophobicContact CB-CD1 3.63Å; N393-I395 HydrophobicContact CB-CG1 3.57Å; N393-I395 PolarHBondContact O-N 2.89Å; N393-N417 WeakPolarHBondContact CA-OD1 3.18Å; N393-N417 WeakPolarHBondContact CB-OD1 3.44Å; N393-N417 PolarHBondContact N-OD1 3.37Å
394	F	96.1	Very high	93.3	Very high	82 Å²	82	30.8 Å²	30.8	36%	0.36	17%	0.169	S	C	.	.			trans	60.5	19.4	-173.3	-57	-90.6	0	0	0	114.3	Y342 V367 I396 N417 R418	Y342-F394 HydrophobicContact CE2-CB 4.21Å; Y342-F394 PolarHBondContact OH-O 2.92Å; V367-F394 HydrophobicContact CG1-CD2 4.19Å; V367-F394 HydrophobicContact CG2-CD2 4.08Å; V367-F394 HydrophobicContact CG2-CE2 4.25Å; F394-I396 WeakPolarHBondContact O-CG1 3.42Å; F394-I396 PolarHBondContact O-N 2.67Å; F394-N417 PolarHBondContact N-OD1 3.01Å; F394-R418 HydrophobicContact CB-CG 4.31Å; F394-R418 HydrophobicContact CD1-CG 4.32Å
395	I	96.9	Very high	93.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.			trans	-56.3	128.7	-176.3	-60.4	158.8	0	0	0	110.2	F368 Q369 I371 L390 N393 Q397 L414 N417 R418 L419	F368-I395 HydrophobicContact CD2-CG1 4.37Å; F368-I395 HydrophobicContact CE1-CD1 4.29Å; F368-I395 HydrophobicContact CE1-CG1 4.39Å; F368-I395 HydrophobicContact CE2-CD1 4.08Å; F368-I395 HydrophobicContact CE2-CG1 3.97Å; F368-I395 HydrophobicContact CZ-CD1 3.72Å; F368-I395 HydrophobicContact CZ-CG1 3.98Å; F368-I395 WeakPolarHBondContact O-CA 3.42Å; Q369-I395 CarbonylContact O-C 3.54Å; Q369-I395 WeakPolarHBondContact O-CA 3.23Å; Q369-I395 WeakPolarHBondContact O-CG2 3.27Å; I371-I395 HydrophobicContact CD1-CD1 3.95Å; I371-I395 HydrophobicContact CG1-CD1 4.17Å; I371-I395 HydrophobicContact CG1-CG2 4.25Å; L390-I395 HydrophobicContact CB-CD1 4.48Å; N393-I395 HydrophobicContact CB-CD1 3.63Å; N393-I395 HydrophobicContact CB-CG1 3.57Å; N393-I395 PolarHBondContact O-N 2.89Å; I395-Q397 VanDerWaalsContact CG2-O 3.22Å; I395-Q397 WeakPolarHBondContact CG2-O 3.28Å; I395-L414 HydrophobicContact CD1-CD2 4.33Å; I395-N417 HydrophobicContact CB-CB 4.13Å; I395-N417 WeakPolarHBondContact CG1-OD1 3.38Å; I395-N417 PolarHBondContact N-OD1 3.37Å; I395-R418 CarbonylContact O-C 3.52Å; I395-R418 VanDerWaalsContact O-CA 3.26Å; I395-R418 WeakPolarHBondContact O-CA 3.37Å; I395-R418 PolarHBondContact O-N 3.01Å; I395-L419 HydrophobicContact CB-CD2 4.4Å; I395-L419 HydrophobicContact CG2-CD2 3.78Å; I395-L419 PolarHBondContact O-N 3.03Å
396	I	94.8	Very high	93.2	Very high	53 Å²	53	32.1 Å²	32.1	27%	0.272	17%	0.171	S	C	.	.			trans	-97.1	-39.3	-176.3	-42	-178.5	0	0	0	110.3	Y342 Q369 F394 Y420	Y342-I396 HydrophobicContact CE1-CD1 4.27Å; Y342-I396 WeakPolarHBondContact OH-CD1 3.47Å; Y342-I396 VanDerWaalsContact OH-CG1 3.23Å; Y342-I396 WeakPolarHBondContact OH-CG1 3.32Å; Q369-I396 HydrophobicContact CB-CD1 4.32Å; Q369-I396 HydrophobicContact CB-CG1 4.44Å; Q369-I396 HydrophobicContact CG-CD1 4.13Å; Q369-I396 PolarHBondContact O-N 2.91Å; F394-I396 WeakPolarHBondContact O-CG1 3.42Å; F394-I396 PolarHBondContact O-N 2.67Å; I396-Y420 HydrophobicContact CG2-CD1 3.66Å; I396-Y420 HydrophobicContact CG2-CE1 3.58Å; I396-Y420 WeakPolarHBondContact O-CD1 3.31Å; I396-Y420 WeakPolarHBondContact O-CE1 3.29Å
397	Q	92.1	Very high	92.9	Very high	95 Å²	95	33.6 Å²	33.6	44%	0.444	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.5	174	-56	178.6	-40.6	0	0	111.7	Q369 N370 I371 I395 Y420	Q369-Q397 PolarHBondContact O-N 3.15Å; N370-Q397 VanDerWaalsContact CA-O 3.29Å; N370-Q397 WeakPolarHBondContact CA-O 3.04Å; N370-Q397 VanDerWaalsContact OD1-CB 3.29Å; N370-Q397 WeakPolarHBondContact OD1-CB 3.48Å; N370-Q397 PolarHBondContact OD1-N 3.18Å; I371-Q397 PolarHBondContact N-O 2.81Å; I395-Q397 VanDerWaalsContact CG2-O 3.22Å; I395-Q397 WeakPolarHBondContact CG2-O 3.28Å; Q397-Y420 HydrophobicContact CG-CE1 3.61Å; Q397-Y420 PolarHBondContact NE2-OH 3.1Å
398	A	92.3	Very high	92.5	Very high	21 Å²	21	38.3 Å²	38.3	17%	0.174	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	122	170.6	0	0	0	0	0	109.8	I371 S400 L419	I371-A398 HydrophobicContact CB-CB 4.14Å; I371-A398 HydrophobicContact CD1-CB 3.99Å; I371-A398 HydrophobicContact CG1-CB 4.35Å; A398-S400 PolarHBondContact O-N 2.96Å; A398-S400 VanDerWaalsContact O-N 3.14Å; A398-L419 HydrophobicContact CB-CD2 3.87Å
399	D	91.1	Very high	92.3	Very high	60 Å²	60	38.4 Å²	38.4	32%	0.321	20%	0.203	S	C	.	.			trans	-69.6	105.4	167.1	-177.6	-8.8	0	0	0	108.5	I371 T401 V402	I371-D399 PolarHBondContact O-N 3.01Å; I371-D399 VanDerWaalsContact O-N 3.13Å; D399-T401 VanDerWaalsContact CG-OG1 3.24Å; D399-T401 PolarHBondContact O-N 2.81Å; D399-T401 WeakPolarHBondContact OD1-CB 3.44Å; D399-T401 WeakPolarHBondContact OD1-CG2 3.43Å; D399-T401 PolarHBondContact OD1-N 2.93Å; D399-T401 PolarHBondContact OD1-OG1 2.8Å; D399-T401 PolarHBondContact OD2-OG1 2.83Å; D399-V402 HydrophobicContact CB-CG2 4.1Å; D399-V402 WeakPolarHBondContact O-CB 3.32Å; D399-V402 WeakPolarHBondContact O-CG2 3.48Å; D399-V402 PolarHBondContact O-N 3.43Å
400	S	89.6	Confident	92.2	Very high	13 Å²	13	41.1 Å²	41.1	9%	0.091	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-62	-27.6	-176.9	60.8	0	0	0	0	111.6	A398 V402 F403 G490	A398-S400 PolarHBondContact O-N 2.96Å; A398-S400 VanDerWaalsContact O-N 3.14Å; S400-V402 PolarHBondContact O-N 3.27Å; S400-V402 VanDerWaalsContact O-N 3.1Å; S400-F403 WeakPolarHBondContact O-CD2 3.47Å; S400-F403 PolarHBondContact O-N 2.83Å; S400-G490 VanDerWaalsContact C-CA 3.49Å; S400-G490 CarbonylContact O-C 3.49Å; S400-G490 VanDerWaalsContact O-C 3.27Å; S400-G490 VanDerWaalsContact O-CA 3.25Å; S400-G490 WeakPolarHBondContact O-CA 3.38Å; S400-G490 PolarHBondContact OG-N 3.13Å
401	T	89.6	Confident	92	Very high	61 Å²	61	42 Å²	42	37%	0.374	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.2	-18.7	-177.7	70.8	0	0	0	0	113.2	D399 F403 N404	D399-T401 VanDerWaalsContact CG-OG1 3.24Å; D399-T401 PolarHBondContact O-N 2.81Å; D399-T401 WeakPolarHBondContact OD1-CB 3.44Å; D399-T401 WeakPolarHBondContact OD1-CG2 3.43Å; D399-T401 PolarHBondContact OD1-N 2.93Å; D399-T401 PolarHBondContact OD1-OG1 2.8Å; D399-T401 PolarHBondContact OD2-OG1 2.83Å; T401-F403 PolarHBondContact O-N 2.99Å; T401-N404 PolarHBondContact O-N 3.2Å
402	V	92.6	Very high	92	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57	-39.3	171.7	171.1	0	0	0	0	111.4	I371 L376 Y380 D399 S400 N404 K405 F406	I371-V402 HydrophobicContact CG2-CB 4.43Å; I371-V402 HydrophobicContact CG2-CG1 4.18Å; I371-V402 HydrophobicContact CG2-CG2 4.33Å; L376-V402 HydrophobicContact CB-CG1 4.49Å; L376-V402 HydrophobicContact CD1-CG1 4.17Å; Y380-V402 HydrophobicContact CE1-CG1 4.15Å; Y380-V402 WeakPolarHBondContact OH-CG1 3.49Å; D399-V402 HydrophobicContact CB-CG2 4.1Å; D399-V402 WeakPolarHBondContact O-CB 3.32Å; D399-V402 WeakPolarHBondContact O-CG2 3.48Å; D399-V402 PolarHBondContact O-N 3.43Å; S400-V402 PolarHBondContact O-N 3.27Å; S400-V402 VanDerWaalsContact O-N 3.1Å; V402-N404 VanDerWaalsContact C-N 3.29Å; V402-N404 PolarHBondContact O-N 2.94Å; V402-K405 WeakPolarHBondContact O-CB 2.95Å; V402-K405 PolarHBondContact O-N 3.28Å; V402-F406 HydrophobicContact CG1-CE2 4.11Å; V402-F406 WeakPolarHBondContact O-CD2 3.35Å
403	F	93.1	Very high	92	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-75.1	-17.9	-176	-59.3	-73.9	0	0	0	113.7	I371 L376 L388 L390 S400 T401 K405 F406 I412 L414 Y491	I371-F403 HydrophobicContact CD1-CZ 4.04Å; L376-F403 HydrophobicContact CD1-CE1 4.47Å; L388-F403 HydrophobicContact CD2-CE1 4.27Å; L390-F403 HydrophobicContact CD1-CE1 4.27Å; L390-F403 HydrophobicContact CD1-CZ 4.38Å; S400-F403 WeakPolarHBondContact O-CD2 3.47Å; S400-F403 PolarHBondContact O-N 2.83Å; T401-F403 PolarHBondContact O-N 2.99Å; F403-K405 VanDerWaalsContact C-N 3.28Å; F403-F406 HydrophobicContact CD1-CE2 4.39Å; F403-I412 HydrophobicContact CB-CD1 3.91Å; F403-I412 HydrophobicContact CD1-CD1 3.92Å; F403-I412 HydrophobicContact CD1-CG1 4.35Å; F403-I412 HydrophobicContact CD1-CG2 4.06Å; F403-I412 HydrophobicContact CE1-CG2 3.83Å; F403-I412 HydrophobicContact CG-CD1 4.01Å; F403-I412 HydrophobicContact CZ-CG2 4.24Å; F403-L414 HydrophobicContact CE2-CD1 4.09Å; F403-L414 HydrophobicContact CZ-CD1 3.92Å; F403-L414 HydrophobicContact CZ-CD2 4.42Å; F403-Y491 HydrophobicContact CB-CD1 4.13Å; F403-Y491 HydrophobicContact CB-CE1 4.49Å; F403-Y491 AromaticContact CD2-CD1 3.75Å; F403-Y491 HydrophobicContact CD2-CD1 3.75Å; F403-Y491 AromaticContact CD2-CE1 3.25Å; F403-Y491 HydrophobicContact CD2-CE1 3.25Å; F403-Y491 HydrophobicContact CE2-CD1 4.43Å; F403-Y491 AromaticContact CE2-CE1 3.53Å; F403-Y491 HydrophobicContact CE2-CE1 3.53Å; F403-Y491 HydrophobicContact CG-CD1 4.05Å; F403-Y491 AromaticContact CG-CE1 3.95Å; F403-Y491 HydrophobicContact CG-CE1 3.95Å; F403-Y491 HydrophobicContact CZ-CE1 4.41Å
404	N	89.6	Confident	92	Very high	86 Å²	86	41.4 Å²	41.4	46%	0.46	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-73.3	-18.4	171.4	-78.4	-17.6	0	0	0	113	T401 V402 F406 G490	T401-N404 PolarHBondContact O-N 3.2Å; V402-N404 VanDerWaalsContact C-N 3.29Å; V402-N404 PolarHBondContact O-N 2.94Å; N404-F406 VanDerWaalsContact C-N 3.32Å; N404-G490 PolarHBondContact N-O 2.98Å; N404-G490 WeakPolarHBondContact ND2-CA 3.11Å; N404-G490 VanDerWaalsContact OD1-C 3.24Å; N404-G490 PolarHBondContact OD1-O 2.92Å
405	K	91.2	Very high	91.9	Very high	105 Å²	105	37.5 Å²	37.5	46%	0.457	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-78.8	-17.2	178.5	-62.5	-176.7	179.6	178.3	0	113.3	Y380 V402 F403	Y380-K405 HydrophobicContact CD1-CB 3.98Å; Y380-K405 HydrophobicContact CD2-CB 4.13Å; Y380-K405 HydrophobicContact CD2-CD 4.03Å; Y380-K405 HydrophobicContact CE1-CB 4.07Å; Y380-K405 HydrophobicContact CE1-CD 4.46Å; Y380-K405 HydrophobicContact CE2-CB 4.22Å; Y380-K405 HydrophobicContact CE2-CD 3.5Å; Y380-K405 VanDerWaalsContact CE2-CD 3.5Å; Y380-K405 HydrophobicContact CG-CB 4.04Å; V402-K405 WeakPolarHBondContact O-CB 2.95Å; V402-K405 PolarHBondContact O-N 3.28Å; F403-K405 VanDerWaalsContact C-N 3.28Å
406	F	91.5	Very high	91.8	Very high	15 Å²	15	42 Å²	42	7%	0.066	22%	0.218	C	C	.	.	S	Bend	trans	-78.4	151.8	177	-68.9	-99.2	0	0	0	110.8	L376 L379 Y380 L385 L388 V402 F403 N404 L409	L376-F406 HydrophobicContact CB-CE2 4.48Å; L376-F406 HydrophobicContact CB-CZ 3.88Å; L376-F406 HydrophobicContact CD1-CE2 4.31Å; L376-F406 HydrophobicContact CD1-CZ 3.97Å; L379-F406 HydrophobicContact CB-CE1 3.67Å; L379-F406 HydrophobicContact CB-CZ 4.23Å; L379-F406 HydrophobicContact CD1-CE1 4.43Å; Y380-F406 HydrophobicContact CD1-CD1 4.44Å; Y380-F406 HydrophobicContact CD1-CD2 4.03Å; Y380-F406 HydrophobicContact CD1-CE1 4.19Å; Y380-F406 AromaticContact CD1-CE2 3.76Å; Y380-F406 HydrophobicContact CD1-CE2 3.76Å; Y380-F406 HydrophobicContact CD1-CG 4.38Å; Y380-F406 AromaticContact CD1-CZ 3.86Å; Y380-F406 HydrophobicContact CD1-CZ 3.86Å; Y380-F406 HydrophobicContact CE1-CD2 4.09Å; Y380-F406 AromaticContact CE1-CE2 3.51Å; Y380-F406 HydrophobicContact CE1-CE2 3.51Å; Y380-F406 AromaticContact CE1-CZ 3.79Å; Y380-F406 HydrophobicContact CE1-CZ 3.79Å; L385-F406 HydrophobicContact CD2-CD1 4.08Å; L385-F406 HydrophobicContact CD2-CE1 3.99Å; L388-F406 HydrophobicContact CD2-CE1 4.34Å; L388-F406 HydrophobicContact CD2-CZ 4.09Å; V402-F406 HydrophobicContact CG1-CE2 4.11Å; V402-F406 WeakPolarHBondContact O-CD2 3.35Å; F403-F406 HydrophobicContact CD1-CE2 4.39Å; N404-F406 VanDerWaalsContact C-N 3.32Å; F406-L409 HydrophobicContact CB-CD1 4.13Å; F406-L409 HydrophobicContact CB-CD2 4.36Å; F406-L409 HydrophobicContact CB-CG 3.97Å; F406-L409 HydrophobicContact CD1-CD1 4.13Å; F406-L409 HydrophobicContact CD1-CD2 4.23Å; F406-L409 HydrophobicContact CD1-CG 4.43Å; F406-L409 HydrophobicContact CD2-CD1 4.44Å; F406-L409 HydrophobicContact CG-CD1 3.99Å; F406-L409 HydrophobicContact CG-CG 4.31Å
407	H	86.9	Confident	91.9	Very high	79 Å²	79	39.6 Å²	39.6	37%	0.366	21%	0.205	S	C	.	.	S	Bend	trans	-55.3	147.6	156	-73.2	-73.3	0	0	0	109.6	L409	H407-L409 PolarHBondContact O-N 2.98Å
408	P	84.3	Confident	92.1	Very high	109 Å²	109	40.9 Å²	40.9	71%	0.708	21%	0.206	S	C	*	.			trans	-53.1	100.3	-170.2	-28	34.8	0	0	0	113.2	K410	P408-K410 PolarHBondContact O-N 2.99Å
409	L	91.2	Very high	92.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.199	C	C	.	.			trans	-67.3	129.2	177.2	-62.5	176.4	0	0	0	108.5	L385 S386 L388 F406 H407 M411 I412 R471	L385-L409 HydrophobicContact CB-CD2 4.18Å; L385-L409 HydrophobicContact CD2-CD2 3.99Å; L385-L409 HydrophobicContact CG-CD2 3.76Å; L385-L409 WeakPolarHBondContact O-CD2 3.45Å; S386-L409 CarbonylContact O-C 3.59Å; L388-L409 HydrophobicContact CB-CD1 4.14Å; L388-L409 HydrophobicContact CD2-CD1 4.37Å; F406-L409 HydrophobicContact CB-CD1 4.13Å; F406-L409 HydrophobicContact CB-CD2 4.36Å; F406-L409 HydrophobicContact CB-CG 3.97Å; F406-L409 HydrophobicContact CD1-CD1 4.13Å; F406-L409 HydrophobicContact CD1-CD2 4.23Å; F406-L409 HydrophobicContact CD1-CG 4.43Å; F406-L409 HydrophobicContact CD2-CD1 4.44Å; F406-L409 HydrophobicContact CG-CD1 3.99Å; F406-L409 HydrophobicContact CG-CG 4.31Å; H407-L409 PolarHBondContact O-N 2.98Å; L409-M411 VanDerWaalsContact C-N 3.28Å; L409-M411 PolarHBondContact O-N 3.41Å; L409-I412 HydrophobicContact CB-CG1 4.1Å; L409-I412 HydrophobicContact CD1-CD1 4.22Å; L409-I412 HydrophobicContact CD1-CG1 3.75Å; L409-R471 VanDerWaalsContact O-CD 3.32Å; L409-R471 WeakPolarHBondContact O-CD 3.47Å; L409-R471 WeakPolarHBondContact O-CG 3.22Å; L409-R471 PolarHBondContact O-NE 3.2Å
410	K	90.8	Very high	92	Very high	59 Å²	59	41.6 Å²	41.6	26%	0.257	20%	0.201	S	C	.	.	S	Bend	trans	-63.5	-35	170.6	176.7	61.7	175.9	179.2	0	111.6	S386 P408 F467 G470 R471 V472	S386-K410 WeakPolarHBondContact O-CA 3.32Å; S386-K410 WeakPolarHBondContact O-CB 3.4Å; S386-K410 PolarHBondContact O-N 3.26Å; S386-K410 VanDerWaalsContact OG-CB 3.27Å; S386-K410 WeakPolarHBondContact OG-CB 3.49Å; P408-K410 PolarHBondContact O-N 2.99Å; K410-F467 VanDerWaalsContact CE-O 3.3Å; K410-F467 WeakPolarHBondContact CE-O 3.18Å; K410-F467 HydrophobicContact CG-CE2 4.14Å; K410-F467 HydrophobicContact CG-CZ 4.14Å; K410-F467 PolarHBondContact NZ-O 2.99Å; K410-G470 WeakPolarHBondContact CD-O 3.34Å; K410-G470 WeakPolarHBondContact CE-O 3.45Å; K410-G470 VanDerWaalsContact NZ-C 3.29Å; K410-G470 PolarHBondContact NZ-O 3.02Å; K410-R471 CarbonylContact O-C 3.55Å; K410-R471 WeakPolarHBondContact O-CA 3.46Å; K410-V472 PolarHBondContact O-N 3.45Å
411	M	92.6	Very high	91.7	Very high	19 Å²	19	41.7 Å²	41.7	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130	-177.7	-174.2	-133	-68.5	0	0	112	S386 A387 L388 L409 Y413 I462 F467 V472	S386-M411 PolarHBondContact O-N 3.15Å; A387-M411 HydrophobicContact CB-CB 4.15Å; A387-M411 HydrophobicContact CB-CE 4.11Å; A387-M411 HydrophobicContact CB-SD 4.31Å; L388-M411 PolarHBondContact N-O 2.67Å; L409-M411 VanDerWaalsContact C-N 3.28Å; L409-M411 PolarHBondContact O-N 3.41Å; M411-Y413 HydrophobicContact SD-CD2 4.46Å; M411-I462 HydrophobicContact CE-CD1 4.07Å; M411-I462 HydrophobicContact CG-CD1 3.88Å; M411-I462 HydrophobicContact SD-CD1 4.12Å; M411-F467 HydrophobicContact CE-CE2 4.38Å; M411-V472 WeakPolarHBondContact CA-O 3.29Å; M411-V472 HydrophobicContact CG-CB 4.42Å
412	I	95.1	Very high	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.9	166.9	-59.3	167.8	0	0	0	107.3	F403 L409 L414 V472 L473 V474 Y491	F403-I412 HydrophobicContact CB-CD1 3.91Å; F403-I412 HydrophobicContact CD1-CD1 3.92Å; F403-I412 HydrophobicContact CD1-CG1 4.35Å; F403-I412 HydrophobicContact CD1-CG2 4.06Å; F403-I412 HydrophobicContact CE1-CG2 3.83Å; F403-I412 HydrophobicContact CG-CD1 4.01Å; F403-I412 HydrophobicContact CZ-CG2 4.24Å; L409-I412 HydrophobicContact CB-CG1 4.1Å; L409-I412 HydrophobicContact CD1-CD1 4.22Å; L409-I412 HydrophobicContact CD1-CG1 3.75Å; I412-L414 HydrophobicContact CG2-CD1 3.95Å; I412-L414 HydrophobicContact CG2-CG 4.12Å; I412-V472 PolarHBondContact N-O 3.29Å; I412-L473 HydrophobicContact CB-CD1 3.99Å; I412-L473 HydrophobicContact CG2-CD1 3.94Å; I412-V474 PolarHBondContact O-N 3.23Å; I412-Y491 HydrophobicContact CD1-CD1 3.98Å; I412-Y491 HydrophobicContact CG2-CE1 4.49Å
413	Y	94.8	Very high	89.5	Confident	11 Å²	11	45.8 Å²	45.8	4%	0.043	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.6	-178.5	-167.3	-82.6	0	0	0	110.5	L388 N389 L390 M411 A415 L461 I462 V474	L388-Y413 PolarHBondContact O-N 2.98Å; N389-Y413 WeakPolarHBondContact OD1-CD1 3.1Å; L390-Y413 CarbonylContact C-O 3.54Å; L390-Y413 WeakPolarHBondContact CA-O 3.4Å; L390-Y413 PolarHBondContact N-O 2.97Å; M411-Y413 HydrophobicContact SD-CD2 4.46Å; Y413-A415 HydrophobicContact CD1-CB 4.03Å; Y413-A415 HydrophobicContact CE1-CB 3.37Å; Y413-A415 HydrophobicContact CE2-CB 4.17Å; Y413-A415 VanDerWaalsContact CZ-CB 3.44Å; Y413-L461 HydrophobicContact CE2-CB 3.89Å; Y413-L461 HydrophobicContact CE2-CD1 4.33Å; Y413-I462 HydrophobicContact CD2-CD1 4.39Å; Y413-I462 HydrophobicContact CE2-CG1 4.48Å; Y413-V474 HydrophobicContact CD2-CB 3.66Å; Y413-V474 HydrophobicContact CD2-CG1 3.86Å; Y413-V474 HydrophobicContact CD2-CG2 3.71Å; Y413-V474 HydrophobicContact CE2-CB 4.06Å; Y413-V474 HydrophobicContact CE2-CG1 3.71Å; Y413-V474 HydrophobicContact CE2-CG2 4.19Å; Y413-V474 HydrophobicContact CG-CB 4.24Å
414	L	96.1	Very high	87.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.			trans	-121.6	22.2	-179	-75.3	166	0	0	0	111.3	I371 L390 I395 F403 I412 N417 L419 V474 L475 N478 Y491	I371-L414 HydrophobicContact CD1-CD2 3.92Å; L390-L414 HydrophobicContact CB-CD2 3.8Å; L390-L414 HydrophobicContact CD1-CD2 4.09Å; I395-L414 HydrophobicContact CD1-CD2 4.33Å; F403-L414 HydrophobicContact CE2-CD1 4.09Å; F403-L414 HydrophobicContact CZ-CD1 3.92Å; F403-L414 HydrophobicContact CZ-CD2 4.42Å; I412-L414 HydrophobicContact CG2-CD1 3.95Å; I412-L414 HydrophobicContact CG2-CG 4.12Å; L414-N417 PolarHBondContact O-ND2 3.13Å; L414-L419 HydrophobicContact CB-CD1 4.35Å; L414-V474 CarbonylContact C-O 3.6Å; L414-V474 WeakPolarHBondContact CA-O 3.33Å; L414-V474 PolarHBondContact N-O 2.85Å; L414-L475 HydrophobicContact CB-CD2 3.86Å; L414-L475 HydrophobicContact CD1-CD2 4.04Å; L414-N478 PolarHBondContact O-ND2 3.1Å; L414-Y491 HydrophobicContact CD1-CE1 4.04Å
415	A	93.9	Very high	85.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	160	-178.7	0	0	0	0	0	112.7	G391 T392 Y413 N417 V474 S476	G391-A415 WeakPolarHBondContact CA-O 3.35Å; T392-A415 PolarHBondContact N-O 3.29Å; T392-A415 VanDerWaalsContact N-O 3.09Å; Y413-A415 HydrophobicContact CD1-CB 4.03Å; Y413-A415 HydrophobicContact CE1-CB 3.37Å; Y413-A415 HydrophobicContact CE2-CB 4.17Å; Y413-A415 VanDerWaalsContact CZ-CB 3.44Å; A415-N417 PolarHBondContact O-N 3.24Å; A415-N417 PolarHBondContact O-ND2 3.2Å; A415-V474 HydrophobicContact CB-CG1 3.93Å; A415-V474 PolarHBondContact N-O 2.62Å; A415-S476 CarbonylContact C-O 3.26Å; A415-S476 WeakPolarHBondContact CA-O 3.17Å; A415-S476 WeakPolarHBondContact CB-O 3.29Å; A415-S476 VanDerWaalsContact CB-OG 3.3Å; A415-S476 WeakPolarHBondContact CB-OG 3.36Å
416	E	95	Very high	82.7	Confident	96 Å²	96	62.3 Å²	62.3	45%	0.449	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	30	173.3	-56.2	-179.8	-159.5	0	0	113.8	T392 S476 S477	T392-E416 WeakPolarHBondContact CA-O 3.17Å; T392-E416 PolarHBondContact OG1-OE2 3.01Å; E416-S476 PolarHBondContact N-O 2.98Å; E416-S477 VanDerWaalsContact CA-O 3.32Å; E416-S477 WeakPolarHBondContact CA-O 3.3Å; E416-S477 PolarHBondContact N-O 2.98Å
417	N	97.1	Very high	79.8	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	33%	0.33	C	S	.	.	S	Bend	trans	-99.6	-169.7	171.4	-77.3	-66.3	0	0	0	110.2	L390 N393 F394 I395 L414 A415 L419 N478	L390-N417 PolarHBondContact O-ND2 2.84Å; N393-N417 WeakPolarHBondContact CA-OD1 3.18Å; N393-N417 WeakPolarHBondContact CB-OD1 3.44Å; N393-N417 PolarHBondContact N-OD1 3.37Å; F394-N417 PolarHBondContact N-OD1 3.01Å; I395-N417 HydrophobicContact CB-CB 4.13Å; I395-N417 WeakPolarHBondContact CG1-OD1 3.38Å; I395-N417 PolarHBondContact N-OD1 3.37Å; L414-N417 PolarHBondContact O-ND2 3.13Å; A415-N417 PolarHBondContact O-N 3.24Å; A415-N417 PolarHBondContact O-ND2 3.2Å; N417-L419 HydrophobicContact CB-CG 4.25Å; N417-N478 VanDerWaalsContact CA-OD1 3.29Å; N417-N478 WeakPolarHBondContact CA-OD1 3.35Å; N417-N478 WeakPolarHBondContact CB-OD1 3.42Å; N417-N478 PolarHBondContact N-OD1 3.27Å; N417-N478 PolarHBondContact O-OD1 3.23Å
418	R	95.5	Very high	77.2	Confident	122 Å²	122	70.2 Å²	70.2	46%	0.46	35%	0.348	S	S	.	.			trans	-116.6	26.1	179.9	-60	-60.8	-173.5	-174.9	-0.1	111.5	F394 I395 Y420 N478	F394-R418 HydrophobicContact CB-CG 4.31Å; F394-R418 HydrophobicContact CD1-CG 4.32Å; I395-R418 CarbonylContact O-C 3.52Å; I395-R418 VanDerWaalsContact O-CA 3.26Å; I395-R418 WeakPolarHBondContact O-CA 3.37Å; I395-R418 PolarHBondContact O-N 3.01Å; R418-Y420 PolarHBondContact O-N 3.19Å; R418-N478 PolarHBondContact N-OD1 3.35Å
419	L	93.4	Very high	75.2	Confident	6 Å²	6	72.7 Å²	72.7	3%	0.031	36%	0.356	C	S	.	.			trans	-58.4	128.6	-177.8	-63	172.6	0	0	0	109.5	I395 A398 L414 N417 L475 N478 N479 L480	I395-L419 HydrophobicContact CB-CD2 4.4Å; I395-L419 HydrophobicContact CG2-CD2 3.78Å; I395-L419 PolarHBondContact O-N 3.03Å; A398-L419 HydrophobicContact CB-CD2 3.87Å; L414-L419 HydrophobicContact CB-CD1 4.35Å; N417-L419 HydrophobicContact CB-CG 4.25Å; L419-L475 HydrophobicContact CD1-CD2 3.78Å; L419-N478 HydrophobicContact CB-CB 4.16Å; L419-N478 VanDerWaalsContact CB-OD1 3.27Å; L419-N478 WeakPolarHBondContact CB-OD1 3.19Å; L419-N478 VanDerWaalsContact CG-OD1 3.29Å; L419-N478 WeakPolarHBondContact CG-OD1 3.13Å; L419-N478 PolarHBondContact N-OD1 3.37Å; L419-N479 CarbonylContact O-C 3.54Å; L419-N479 VanDerWaalsContact O-C 3.22Å; L419-N479 VanDerWaalsContact O-CA 3.27Å; L419-N479 WeakPolarHBondContact O-CA 3.37Å; L419-N479 WeakPolarHBondContact O-CB 3.44Å; L419-N479 PolarHBondContact O-N 3.21Å; L419-L480 HydrophobicContact CB-CD2 4.34Å
420	Y	88.6	Confident	72.2	Confident	90 Å²	90	78.1 Å²	78.1	35%	0.353	39%	0.393	S	S	.	.			trans	-113	164	176.2	69	-89.5	0	0	0	110.5	I396 Q397 R418 T422	I396-Y420 HydrophobicContact CG2-CD1 3.66Å; I396-Y420 HydrophobicContact CG2-CE1 3.58Å; I396-Y420 WeakPolarHBondContact O-CD1 3.31Å; I396-Y420 WeakPolarHBondContact O-CE1 3.29Å; Q397-Y420 HydrophobicContact CG-CE1 3.61Å; Q397-Y420 PolarHBondContact NE2-OH 3.1Å; R418-Y420 PolarHBondContact O-N 3.19Å; Y420-T422 PolarHBondContact O-N 2.9Å
421	P	84	Confident	69.8	Low	15 Å²	15	81.8 Å²	81.8	10%	0.097	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-58.8	138.5	-174.2	-25.6	35.9	0	0	0	113	P423 F481 F482	P421-P423 WeakPolarHBondContact O-CD 3.27Å; P421-F481 VanDerWaalsContact CD-CE1 3.44Å; P421-F481 HydrophobicContact CG-CD1 4.07Å; P421-F481 HydrophobicContact CG-CD2 4.06Å; P421-F481 HydrophobicContact CG-CE1 3.87Å; P421-F481 HydrophobicContact CG-CE2 3.87Å; P421-F481 HydrophobicContact CG-CG 4.16Å; P421-F481 HydrophobicContact CG-CZ 3.76Å; P421-F482 HydrophobicContact CB-CB 4.34Å; P421-F482 HydrophobicContact CB-CD1 4.47Å; P421-F482 WeakPolarHBondContact CB-O 3.08Å; P421-F482 HydrophobicContact CG-CB 4.13Å; P421-F482 WeakPolarHBondContact CG-O 3.34Å
422	T	75.8	Confident	66.8	Low	61 Å²	61	83.6 Å²	83.6	37%	0.374	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-65.7	119.2	172.3	-9.5	0	0	0	0	109.6	Y420 Q424 Q487	Y420-T422 PolarHBondContact O-N 2.9Å; T422-Q424 PolarHBondContact O-N 3.13Å; T422-Q487 PolarHBondContact OG1-OE1 2.86Å
423	P	60.2	Low	63.8	Low	87 Å²	87	94.9 Å²	94.9	57%	0.565	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-66.8	133.4	-177.3	23.6	-30.8	0	0	0	111.4	P421 R425	P421-P423 WeakPolarHBondContact O-CD 3.27Å; P423-R425 VanDerWaalsContact C-N 3.26Å; P423-R425 PolarHBondContact O-N 2.79Å
424	Q	49.5	Very low	60.7	Low	130 Å²	130	105.2 Å²	105.2	61%	0.607	53%	0.527	S	S	*	.	S	Bend	trans	-75.9	-14	179.9	-135.3	175	6.2	0	0	113	T422	T422-Q424 PolarHBondContact O-N 3.13Å
425	R	40.5	Very low	57.5	Low	209 Å²	209	111.1 Å²	111.1	79%	0.789	56%	0.563	S	S	*	*	S	Bend	trans	-139.8	129.4	173.2	-80.7	-179.8	171.6	172.1	-2.8	109.8	P423 L427	P423-R425 VanDerWaalsContact C-N 3.26Å; P423-R425 PolarHBondContact O-N 2.79Å; R425-L427 VanDerWaalsContact C-N 3.32Å; R425-L427 HydrophobicContact CB-CD1 4.41Å; R425-L427 PolarHBondContact O-N 3.49Å
426	Q	39.6	Very low	54.6	Low	199 Å²	199	120 Å²	120	93%	0.93	61%	0.605	S	S	*	*			trans	-65	95.7	160.1	-77.9	-175.9	-21.4	0	0	107.6
427	L	30.6	Very low	51.4	Low	153 Å²	153	126.3 Å²	126.3	80%	0.801	62%	0.624	S	S	*	*			trans	-80.5	121.4	153.5	-102.6	90.9	0	0	0	107.1	R425	R425-L427 VanDerWaalsContact C-N 3.32Å; R425-L427 HydrophobicContact CB-CD1 4.41Å; R425-L427 PolarHBondContact O-N 3.49Å
428	S	33.6	Very low	48.4	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	66%	0.659	S	S	*	*			trans	-42.1	136.1	172.4	42.7	0	0	0	0	113.4	S430	S428-S430 PolarHBondContact O-N 3.41Å
429	N	40.5	Very low	45.4	Very low	161 Å²	161	132.8 Å²	132.8	86%	0.861	68%	0.676	S	S	*	*			trans	-17.7	111.2	166.8	-71	-21.4	0	0	0	115.5
430	S	28.7	Very low	42.3	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	71%	0.711	S	S	*	*			trans	-128	105.4	142.9	59	0	0	0	0	108	S428 G432	S428-S430 PolarHBondContact O-N 3.41Å; S430-G432 PolarHBondContact O-N 3.16Å
431	V	41.2	Very low	39.4	Very low	137 Å²	137	141.8 Å²	141.8	83%	0.83	73%	0.734	S	S	*	*			trans	-69.1	86.8	170.8	178.3	0	0	0	0	107.1	R433	V431-R433 PolarHBondContact O-N 3.01Å
432	G	29.9	Very low	36.7	Very low	57 Å²	57	146.4 Å²	146.4	59%	0.588	76%	0.762	S	S	*	*			trans	-72.5	109.6	166.4	0	0	0	0	0	108.9	S430 Y434	S430-G432 PolarHBondContact O-N 3.16Å; G432-Y434 PolarHBondContact O-N 3.37Å
433	R	32.3	Very low	34.4	Very low	237 Å²	237	147.6 Å²	147.6	89%	0.894	77%	0.772	S	S	*	*			trans	-52	107.6	170	-77.4	177.3	173.2	168.1	-2.5	109.5	V431 V435	V431-R433 PolarHBondContact O-N 3.01Å; R433-V435 PolarHBondContact O-N 3.18Å
434	Y	28.4	Very low	32.9	Very low	228 Å²	228	148.6 Å²	148.6	89%	0.894	78%	0.782	S	S	*	*			trans	-71.5	115.5	165.5	-94.8	-89.4	0	0	0	108.8	G432 Q436	G432-Y434 PolarHBondContact O-N 3.37Å; Y434-Q436 PolarHBondContact O-N 3.43Å
435	V	29.5	Very low	31.9	Very low	123 Å²	123	152.6 Å²	152.6	75%	0.745	79%	0.793	S	S	*	*			trans	-63.5	118.8	170.6	174.7	0	0	0	0	108.1	R433 R437	R433-V435 PolarHBondContact O-N 3.18Å; V435-R437 PolarHBondContact O-N 3.21Å
436	Q	32.5	Very low	31.3	Very low	188 Å²	188	151 Å²	151	88%	0.879	79%	0.792	S	S	*	*			trans	-60.3	101	166.3	-104.5	173.4	-20.9	0	0	108.4	Y434 S438	Y434-Q436 PolarHBondContact O-N 3.43Å; Q436-S438 PolarHBondContact O-N 2.97Å
437	R	27.5	Very low	30.7	Very low	228 Å²	228	151.2 Å²	151.2	86%	0.86	79%	0.79	S	S	*	*			trans	-82.3	98.5	155	-88.7	-175.1	174.6	176	-1.3	107.5	V435 D439	V435-R437 PolarHBondContact O-N 3.21Å; R437-D439 VanDerWaalsContact C-N 3.33Å; R437-D439 PolarHBondContact O-N 3.11Å; R437-D439 VanDerWaalsContact O-N 3.13Å
438	S	33.8	Very low	30.4	Very low	104 Å²	104	151 Å²	151	73%	0.727	79%	0.789	S	S	*	*			trans	-63.8	97.1	155	49.1	0	0	0	0	107.4	Q436	Q436-S438 PolarHBondContact O-N 2.97Å
439	D	32.6	Very low	30	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	77%	0.771	S	S	*	*			trans	173.4	83.5	148.5	-84.5	-20.7	0	0	0	107.6	R437	R437-D439 VanDerWaalsContact C-N 3.33Å; R437-D439 PolarHBondContact O-N 3.11Å; R437-D439 VanDerWaalsContact O-N 3.13Å
440	I	29.4	Very low	29.4	Very low	148 Å²	148	146.2 Å²	146.2	76%	0.759	76%	0.764	S	S	*	*			trans	-112.4	96.3	162.3	-59.6	174.3	0	0	0	105.5	V442	I440-V442 HydrophobicContact CG2-CG2 4.29Å; I440-V442 PolarHBondContact O-N 2.92Å
441	T	27.5	Very low	29.6	Very low	137 Å²	137	147.8 Å²	147.8	84%	0.84	76%	0.756	S	S	*	*			trans	-65.4	101.5	159.5	38.3	0	0	0	0	107.3	S443	T441-S443 PolarHBondContact O-N 2.88Å; T441-S443 VanDerWaalsContact O-N 3.13Å
442	V	28.3	Very low	29.1	Very low	112 Å²	112	144.6 Å²	144.6	68%	0.679	73%	0.734	S	S	*	*			trans	-65	111	173.3	177.9	0	0	0	0	107.4	I440 S444	I440-V442 HydrophobicContact CG2-CG2 4.29Å; I440-V442 PolarHBondContact O-N 2.92Å; V442-S444 PolarHBondContact O-N 3.44Å
443	S	26.7	Very low	29.2	Very low	86 Å²	86	145 Å²	145	60%	0.601	72%	0.72	S	S	*	*			trans	-62.7	134.4	174.6	90.1	0	0	0	0	109.7	T441 Y445	T441-S443 PolarHBondContact O-N 2.88Å; T441-S443 VanDerWaalsContact O-N 3.13Å; S443-Y445 PolarHBondContact O-N 3.2Å
444	S	27.8	Very low	29.1	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	70%	0.701	S	S	*	*			trans	-75.5	63.3	-179.9	52.2	0	0	0	0	112.7	V442	V442-S444 PolarHBondContact O-N 3.44Å
445	Y	29.1	Very low	29.6	Very low	214 Å²	214	130.6 Å²	130.6	84%	0.839	68%	0.676	S	S	*	*			trans	-114.1	64.3	165.6	-82.3	-80.3	0	0	0	110.1	S443	S443-Y445 PolarHBondContact O-N 3.2Å
446	F	28.2	Very low	29.6	Very low	174 Å²	174	130.7 Å²	130.7	76%	0.763	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-78.9	116.4	159.6	-77.4	-83.7	0	0	0	107.9	L448	F446-L448 PolarHBondContact O-N 3.33Å
447	K	26.9	Very low	29.9	Very low	204 Å²	204	125.6 Å²	125.6	89%	0.887	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-61.2	126.7	161.4	-90.8	178.3	174.6	175.8	0	107.3
448	L	23.7	Very low	30.3	Very low	149 Å²	149	118 Å²	118	78%	0.78	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-54.3	127	170.8	-85.1	118.5	0	0	0	109.1	F446	F446-L448 PolarHBondContact O-N 3.33Å
449	P	25.4	Very low	30.7	Very low	60 Å²	60	120.1 Å²	120.1	39%	0.39	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-64.5	157.3	167.4	26.6	-30.7	0	0	0	109.9	P253	P253-P449 HydrophobicContact CG-CG 3.85Å
450	P	27.4	Very low	31.4	Very low	108 Å²	108	116.2 Å²	116.2	70%	0.701	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-52.4	149.7	179	-21.7	31.3	0	0	0	112.2	D452	P450-D452 PolarHBondContact O-N 3.05Å
451	K	33.9	Very low	32.6	Very low	146 Å²	146	112.5 Å²	112.5	64%	0.635	60%	0.604	S	S	*	*	S	Bend	trans	-68.9	12.9	-176.2	-87.2	-173.4	173.3	-178.9	0	115.8	K167 W172	K167-K451 PolarHBondContact NZ-O 2.84Å; W172-K451 HydrophobicContact CH2-CG 4.17Å; W172-K451 HydrophobicContact CZ3-CG 3.97Å
452	D	31.1	Very low	34.5	Very low	70 Å²	70	106.8 Å²	106.8	37%	0.374	57%	0.568	S	S	.	*	S	Bend	trans	-150.2	126.9	174.3	-79.2	-54.9	0	0	0	109.2	K167 P450 T454	K167-D452 WeakPolarHBondContact CE-OD1 3.36Å; K167-D452 IonicContact NZ-OD1 3.94Å; K167-D452 PolarHBondContact NZ-OD1 2.81Å; K167-D452 IonicContact NZ-OD2 3.23Å; K167-D452 PolarHBondContact NZ-OD2 2.6Å; P450-D452 PolarHBondContact O-N 3.05Å; D452-T454 PolarHBondContact O-N 2.7Å
453	F	32.3	Very low	36.7	Very low	65 Å²	65	105.6 Å²	105.6	29%	0.285	55%	0.554	S	S	.	*			trans	-72.5	61.8	175.5	-87.9	-87.8	0	0	0	111.1	Y199 F254 F455	Y199-F453 WeakPolarHBondContact OH-CD2 3.41Å; F254-F453 HydrophobicContact CD1-CE2 4.17Å; F254-F453 HydrophobicContact CD1-CZ 4.24Å; F254-F453 HydrophobicContact CE1-CE1 4.5Å; F254-F453 AromaticContact CE1-CE2 3.53Å; F254-F453 HydrophobicContact CE1-CE2 3.53Å; F254-F453 AromaticContact CE1-CZ 3.32Å; F254-F453 HydrophobicContact CE1-CZ 3.32Å; F254-F453 AromaticContact CZ-CE2 3.8Å; F254-F453 HydrophobicContact CZ-CE2 3.8Å; F254-F453 AromaticContact CZ-CZ 3.73Å; F254-F453 HydrophobicContact CZ-CZ 3.73Å; F453-F455 AromaticContact CD1-CE2 3.91Å; F453-F455 HydrophobicContact CD1-CE2 3.91Å; F453-F455 HydrophobicContact CE1-CE2 4.26Å
454	T	30	Very low	39	Very low	80 Å²	80	105.3 Å²	105.3	49%	0.491	54%	0.543	S	S	.	.			trans	-103.3	93.7	165.4	50.1	0	0	0	0	107.5	D452 E456	D452-T454 PolarHBondContact O-N 2.7Å; T454-E456 PolarHBondContact O-N 3.15Å
455	F	37.7	Very low	41.5	Very low	84 Å²	84	106.1 Å²	106.1	37%	0.368	53%	0.534	S	S	.	.			trans	-69.8	71.3	162.2	-79	-85.9	0	0	0	108.4	F308 F453	F308-F455 HydrophobicContact CD2-CE2 4.08Å; F308-F455 HydrophobicContact CD2-CZ 4.26Å; F308-F455 HydrophobicContact CE2-CE1 4.08Å; F308-F455 AromaticContact CE2-CE2 3.51Å; F308-F455 HydrophobicContact CE2-CE2 3.51Å; F308-F455 AromaticContact CE2-CZ 3.25Å; F308-F455 HydrophobicContact CE2-CZ 3.25Å; F308-F455 HydrophobicContact CZ-CE2 4.39Å; F308-F455 AromaticContact CZ-CZ 3.84Å; F308-F455 HydrophobicContact CZ-CZ 3.84Å; F453-F455 AromaticContact CD1-CE2 3.91Å; F453-F455 HydrophobicContact CD1-CE2 3.91Å; F453-F455 HydrophobicContact CE1-CE2 4.26Å
456	E	30.5	Very low	44.2	Very low	124 Å²	124	96 Å²	96	58%	0.579	50%	0.495	S	S	*	.			trans	-97.6	108.2	162.2	-83.6	178.2	-164.6	0	0	106.7	T454 S458	T454-E456 PolarHBondContact O-N 3.15Å; E456-S458 PolarHBondContact O-N 3.43Å
457	L	39	Very low	46.9	Very low	81 Å²	81	91 Å²	91	42%	0.424	47%	0.473	S	S	.	.			trans	-73.2	74.8	174.4	-141.3	121.4	0	0	0	108.7	H362 L461	H362-L457 WeakPolarHBondContact CE1-CD1 3.28Å; H362-L457 WeakPolarHBondContact CE1-CD2 3.22Å; L457-L461 HydrophobicContact CD1-CD1 4.09Å; L457-L461 HydrophobicContact CD2-CD1 3.84Å; L457-L461 HydrophobicContact CG-CD1 4.01Å
458	S	36.1	Very low	49.6	Very low	69 Å²	69	86.5 Å²	86.5	48%	0.483	46%	0.459	S	S	.	.			trans	-110.1	108.6	177.4	62.9	0	0	0	0	108.8	E456 G460	E456-S458 PolarHBondContact O-N 3.43Å; S458-G460 PolarHBondContact O-N 3Å
459	H	41.3	Very low	52.5	Low	148 Å²	148	81.2 Å²	81.2	69%	0.685	43%	0.434	S	S	*	.	S	Bend	trans	58.6	-0.4	155.6	-53.6	84	0	0	0	119.4	Q464	H459-Q464 PolarHBondContact CD2-OE1 3.44Å
460	G	47	Very low	55.5	Low	72 Å²	72	79.3 Å²	79.3	74%	0.742	43%	0.425	S	S	*	.			trans	-97.1	-19.4	-169.8	0	0	0	0	0	116.9	S458	S458-G460 PolarHBondContact O-N 3Å
461	L	54.8	Low	58.7	Low	70 Å²	70	76 Å²	76	37%	0.366	40%	0.399	S	S	.	.	S	Bend	trans	-78.6	-20.6	-176.8	-64.7	176.3	0	0	0	113.2	Y413 L457	Y413-L461 HydrophobicContact CE2-CB 3.89Å; Y413-L461 HydrophobicContact CE2-CD1 4.33Å; L457-L461 HydrophobicContact CD1-CD1 4.09Å; L457-L461 HydrophobicContact CD2-CD1 3.84Å; L457-L461 HydrophobicContact CG-CD1 4.01Å
462	I	68.2	Low	61.5	Low	17 Å²	17	69.1 Å²	69.1	9%	0.087	37%	0.369	C	S	.	.	S	Bend	trans	-141.7	138	-172	-54.8	174.5	0	0	0	108.2	M411 Y413 Q464 C466 V472 V474	M411-I462 HydrophobicContact CE-CD1 4.07Å; M411-I462 HydrophobicContact CG-CD1 3.88Å; M411-I462 HydrophobicContact SD-CD1 4.12Å; Y413-I462 HydrophobicContact CD2-CD1 4.39Å; Y413-I462 HydrophobicContact CE2-CG1 4.48Å; I462-Q464 PolarHBondContact O-N 3.31Å; I462-C466 HydrophobicContact CG2-CB 3.9Å; I462-C466 WeakPolarHBondContact CG2-SG 3.3Å; I462-V472 HydrophobicContact CD1-CG1 4.01Å; I462-V472 HydrophobicContact CG2-CG1 4.32Å; I462-V474 HydrophobicContact CD1-CG2 3.6Å; I462-V474 HydrophobicContact CG1-CG2 3.88Å
463	K	73.8	Confident	64.6	Low	88 Å²	88	65.8 Å²	65.8	38%	0.383	35%	0.351	S	S	.	.			trans	-56.6	130.4	173.2	-69.1	170.6	178	163	0	109.7	Q465 C466 F467 Y521 D523 D547	K463-Q465 PolarHBondContact O-N 3.34Å; K463-Q465 VanDerWaalsContact O-N 3.1Å; K463-C466 HydrophobicContact CB-CB 4.42Å; K463-C466 WeakPolarHBondContact O-CA 3.22Å; K463-C466 VanDerWaalsContact O-CB 3.29Å; K463-C466 WeakPolarHBondContact O-CB 3.2Å; K463-C466 PolarHBondContact O-N 3.45Å; K463-F467 PolarHBondContact O-N 3.14Å; K463-Y521 WeakPolarHBondContact CD-OH 3.5Å; K463-Y521 PolarHBondContact NZ-OH 2.85Å; K463-D523 IonicContact NZ-OD2 3.29Å; K463-D523 PolarHBondContact NZ-OD2 2.79Å; K463-D547 IonicContact NZ-OD2 2.61Å; K463-D547 PolarHBondContact NZ-OD2 2.74Å
464	Q	74.6	Confident	67.6	Low	80 Å²	80	62.7 Å²	62.7	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-54.2	-37.6	-175.8	-170.9	63.4	25.1	0	0	113.3	H459 I462 C466 F467 N468	H459-Q464 PolarHBondContact CD2-OE1 3.44Å; I462-Q464 PolarHBondContact O-N 3.31Å; Q464-C466 VanDerWaalsContact C-N 3.32Å; Q464-C466 PolarHBondContact O-N 3.3Å; Q464-F467 PolarHBondContact O-N 2.86Å; Q464-N468 PolarHBondContact NE2-OD1 3.11Å; Q464-N468 WeakPolarHBondContact O-CB 3.42Å; Q464-N468 PolarHBondContact O-N 3Å; Q464-N468 PolarHBondContact O-OD1 3.37Å
465	Q	80.6	Confident	70.8	Confident	125 Å²	125	58.9 Å²	58.9	58%	0.584	31%	0.314	S	S	*	.	H	α-helix	trans	-59.3	-42.4	177.2	-64.7	162.2	-9.1	0	0	112	K463 S469 Y521	K463-Q465 PolarHBondContact O-N 3.34Å; K463-Q465 VanDerWaalsContact O-N 3.1Å; Q465-S469 PolarHBondContact O-N 3.4Å; Q465-S469 VanDerWaalsContact O-N 3.15Å; Q465-Y521 HydrophobicContact CB-CD2 4.4Å; Q465-Y521 HydrophobicContact CB-CE2 4.11Å
466	C	85.8	Confident	73.5	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-44.9	175.4	160.8	0	0	0	0	111.3	I462 K463 Q464 N468 S469 C496 Y521	I462-C466 HydrophobicContact CG2-CB 3.9Å; I462-C466 WeakPolarHBondContact CG2-SG 3.3Å; K463-C466 HydrophobicContact CB-CB 4.42Å; K463-C466 WeakPolarHBondContact O-CA 3.22Å; K463-C466 VanDerWaalsContact O-CB 3.29Å; K463-C466 WeakPolarHBondContact O-CB 3.2Å; K463-C466 PolarHBondContact O-N 3.45Å; Q464-C466 VanDerWaalsContact C-N 3.32Å; Q464-C466 PolarHBondContact O-N 3.3Å; C466-N468 PolarHBondContact O-N 3Å; C466-S469 WeakPolarHBondContact O-CB 3.33Å; C466-S469 PolarHBondContact O-N 3.4Å; C466-S469 PolarHBondContact O-OG 2.99Å; C466-C496 HydrophobicContact CB-CB 3.93Å; C466-C496 WeakPolarHBondContact CB-SG 3.36Å; C466-C496 WeakPolarHBondContact O-CB 3.3Å; C466-C496 WeakPolarHBondContact SG-CB 3.5Å; C466-C496 CovalentContact SG-SG 1.99Å; C466-C496 PolarHBondContact SG-SG 3.49Å; C466-Y521 HydrophobicContact CB-CD1 3.96Å; C466-Y521 HydrophobicContact CB-CD2 3.97Å; C466-Y521 HydrophobicContact CB-CE1 4.22Å; C466-Y521 HydrophobicContact CB-CE2 4.17Å; C466-Y521 HydrophobicContact CB-CG 3.89Å
467	F	84.2	Confident	76.6	Confident	70 Å²	70	51.8 Å²	51.8	31%	0.307	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-38.6	177.9	-170.9	-97.1	0	0	0	113	K410 M411 K463 Q464 S469 V472	K410-F467 VanDerWaalsContact CE-O 3.3Å; K410-F467 WeakPolarHBondContact CE-O 3.18Å; K410-F467 HydrophobicContact CG-CE2 4.14Å; K410-F467 HydrophobicContact CG-CZ 4.14Å; K410-F467 PolarHBondContact NZ-O 2.99Å; M411-F467 HydrophobicContact CE-CE2 4.38Å; K463-F467 PolarHBondContact O-N 3.14Å; Q464-F467 PolarHBondContact O-N 2.86Å; F467-S469 PolarHBondContact O-N 3.13Å; F467-V472 HydrophobicContact CD2-CG2 4.27Å
468	N	83.5	Confident	79.3	Confident	108 Å²	108	48.1 Å²	48.1	58%	0.578	27%	0.269	S	S	*	.	H	α-helix	trans	-68.3	-24.1	177.3	-70.4	-5.2	0	0	0	112.7	Q464 C466 G470	Q464-N468 PolarHBondContact NE2-OD1 3.11Å; Q464-N468 WeakPolarHBondContact O-CB 3.42Å; Q464-N468 PolarHBondContact O-N 3Å; Q464-N468 PolarHBondContact O-OD1 3.37Å; C466-N468 PolarHBondContact O-N 3Å; N468-G470 VanDerWaalsContact C-N 3.34Å; N468-G470 PolarHBondContact O-N 3.47Å
469	S	84.9	Confident	82	Confident	39 Å²	39	48 Å²	48	27%	0.273	26%	0.263	S	S	.	.	H	α-helix	trans	-67.8	-27.2	-174.6	75.9	0	0	0	0	115	Q465 C466 F467 C496 T520	Q465-S469 PolarHBondContact O-N 3.4Å; Q465-S469 VanDerWaalsContact O-N 3.15Å; C466-S469 WeakPolarHBondContact O-CB 3.33Å; C466-S469 PolarHBondContact O-N 3.4Å; C466-S469 PolarHBondContact O-OG 2.99Å; F467-S469 PolarHBondContact O-N 3.13Å; S469-C496 WeakPolarHBondContact OG-CB 3.47Å; S469-T520 VanDerWaalsContact CB-OG1 3.31Å; S469-T520 WeakPolarHBondContact CB-OG1 3.33Å
470	G	89.7	Confident	84.4	Confident	19 Å²	19	41.1 Å²	41.1	20%	0.196	23%	0.232	C	C	.	.	S	Bend	trans	145.2	-144.8	-176.6	0	0	0	0	0	111.9	K410 N468 V472	K410-G470 WeakPolarHBondContact CD-O 3.34Å; K410-G470 WeakPolarHBondContact CE-O 3.45Å; K410-G470 VanDerWaalsContact NZ-C 3.29Å; K410-G470 PolarHBondContact NZ-O 3.02Å; N468-G470 VanDerWaalsContact C-N 3.34Å; N468-G470 PolarHBondContact O-N 3.47Å; G470-V472 WeakPolarHBondContact O-CG2 3.45Å
471	R	93.4	Very high	86.3	Confident	40 Å²	40	43.3 Å²	43.3	15%	0.151	22%	0.221	C	C	.	.	S	Bend	trans	-67.4	133.5	179.8	-170.4	168.6	-172.6	-158.6	-3.9	111	L409 K410 Y491 D493 I494 A495 C496	L409-R471 VanDerWaalsContact O-CD 3.32Å; L409-R471 WeakPolarHBondContact O-CD 3.47Å; L409-R471 WeakPolarHBondContact O-CG 3.22Å; L409-R471 PolarHBondContact O-NE 3.2Å; K410-R471 CarbonylContact O-C 3.55Å; K410-R471 WeakPolarHBondContact O-CA 3.46Å; R471-Y491 PolarHBondContact NH1-O 3.19Å; R471-Y491 PolarHBondContact NH2-O 2.83Å; R471-D493 WeakPolarHBondContact CB-O 3.32Å; R471-D493 WeakPolarHBondContact CD-O 3.38Å; R471-I494 HydrophobicContact CB-CD1 4.47Å; R471-I494 HydrophobicContact CG-CD1 3.77Å; R471-A495 PolarHBondContact O-N 3.26Å; R471-C496 PolarHBondContact O-N 3.08Å
472	V	94.1	Very high	87.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.5	-172.8	-169.2	0	0	0	0	111.5	K410 M411 I412 I462 F467 G470 V474 C496	K410-V472 PolarHBondContact O-N 3.45Å; M411-V472 WeakPolarHBondContact CA-O 3.29Å; M411-V472 HydrophobicContact CG-CB 4.42Å; I412-V472 PolarHBondContact N-O 3.29Å; I462-V472 HydrophobicContact CD1-CG1 4.01Å; I462-V472 HydrophobicContact CG2-CG1 4.32Å; F467-V472 HydrophobicContact CD2-CG2 4.27Å; G470-V472 WeakPolarHBondContact O-CG2 3.45Å; V472-V474 HydrophobicContact CG1-CG2 3.88Å; V472-C496 WeakPolarHBondContact CA-O 3.23Å; V472-C496 HydrophobicContact CG1-CB 4.19Å; V472-C496 HydrophobicContact CG2-CB 4.23Å
473	L	95.8	Very high	88.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.5	168.1	176.9	59.2	0	0	0	109.4	I412 L475 F488 Y491 I494 C496 L497 N498	I412-L473 HydrophobicContact CB-CD1 3.99Å; I412-L473 HydrophobicContact CG2-CD1 3.94Å; L473-L475 HydrophobicContact CD1-CD2 4.44Å; L473-L475 HydrophobicContact CD1-CG 4.15Å; L473-L475 HydrophobicContact CD2-CD1 3.88Å; L473-L475 HydrophobicContact CD2-CG 4.36Å; L473-L475 HydrophobicContact CG-CD1 4.07Å; L473-L475 HydrophobicContact CG-CG 4.01Å; L473-F488 HydrophobicContact CD2-CD1 4.45Å; L473-Y491 HydrophobicContact CD1-CD1 3.8Å; L473-Y491 HydrophobicContact CD1-CE1 3.79Å; L473-Y491 HydrophobicContact CD1-CG 4.34Å; L473-Y491 HydrophobicContact CD2-CD1 3.94Å; L473-Y491 HydrophobicContact CD2-CD2 3.67Å; L473-Y491 HydrophobicContact CD2-CE1 4.31Å; L473-Y491 HydrophobicContact CD2-CE2 4.07Å; L473-Y491 HydrophobicContact CD2-CG 3.6Å; L473-I494 HydrophobicContact CB-CD1 3.88Å; L473-I494 HydrophobicContact CB-CG1 4.03Å; L473-I494 HydrophobicContact CB-CG2 3.93Å; L473-I494 HydrophobicContact CD2-CG1 4.37Å; L473-C496 PolarHBondContact N-O 3.29Å; L473-L497 HydrophobicContact CB-CD1 4.11Å; L473-L497 HydrophobicContact CD2-CD1 3.93Å; L473-L497 HydrophobicContact CG-CD1 3.97Å; L473-L497 WeakPolarHBondContact O-CA 3.26Å; L473-N498 PolarHBondContact O-N 2.89Å
474	V	95.4	Very high	89.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.5	177.1	-171.5	0	0	0	0	109.5	I412 Y413 L414 A415 I462 V472 S476 N498	I412-V474 PolarHBondContact O-N 3.23Å; Y413-V474 HydrophobicContact CD2-CB 3.66Å; Y413-V474 HydrophobicContact CD2-CG1 3.86Å; Y413-V474 HydrophobicContact CD2-CG2 3.71Å; Y413-V474 HydrophobicContact CE2-CB 4.06Å; Y413-V474 HydrophobicContact CE2-CG1 3.71Å; Y413-V474 HydrophobicContact CE2-CG2 4.19Å; Y413-V474 HydrophobicContact CG-CB 4.24Å; L414-V474 CarbonylContact C-O 3.6Å; L414-V474 WeakPolarHBondContact CA-O 3.33Å; L414-V474 PolarHBondContact N-O 2.85Å; A415-V474 HydrophobicContact CB-CG1 3.93Å; A415-V474 PolarHBondContact N-O 2.62Å; I462-V474 HydrophobicContact CD1-CG2 3.6Å; I462-V474 HydrophobicContact CG1-CG2 3.88Å; V472-V474 HydrophobicContact CG1-CG2 3.88Å; V474-S476 VanDerWaalsContact CG1-OG 3.29Å; V474-S476 WeakPolarHBondContact CG1-OG 3.31Å; V474-N498 HydrophobicContact CG1-CB 4.13Å
475	L	95.6	Very high	89.9	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.204	C	C	.	.			trans	-118.5	17.8	176.6	-70.2	170.1	0	0	0	111.2	L414 L419 L473 N478 L480 F488 L497 N498 L499 N502	L414-L475 HydrophobicContact CB-CD2 3.86Å; L414-L475 HydrophobicContact CD1-CD2 4.04Å; L419-L475 HydrophobicContact CD1-CD2 3.78Å; L473-L475 HydrophobicContact CD1-CD2 4.44Å; L473-L475 HydrophobicContact CD1-CG 4.15Å; L473-L475 HydrophobicContact CD2-CD1 3.88Å; L473-L475 HydrophobicContact CD2-CG 4.36Å; L473-L475 HydrophobicContact CG-CD1 4.07Å; L473-L475 HydrophobicContact CG-CG 4.01Å; L475-N478 PolarHBondContact O-ND2 2.9Å; L475-L480 HydrophobicContact CB-CD1 4.28Å; L475-L480 HydrophobicContact CD1-CD1 4.32Å; L475-F488 HydrophobicContact CD1-CE1 4.18Å; L475-L497 HydrophobicContact CD1-CD1 4.26Å; L475-N498 CarbonylContact C-O 3.27Å; L475-N498 WeakPolarHBondContact CA-O 3.21Å; L475-N498 PolarHBondContact N-O 2.72Å; L475-L499 HydrophobicContact CB-CD2 3.83Å; L475-L499 HydrophobicContact CD1-CD2 4.04Å; L475-N502 PolarHBondContact O-ND2 3.17Å
476	S	95.1	Very high	90.2	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.063	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	152.3	-177.3	53.3	0	0	0	0	113	A415 E416 V474 N478 N498 S500	A415-S476 CarbonylContact C-O 3.26Å; A415-S476 WeakPolarHBondContact CA-O 3.17Å; A415-S476 WeakPolarHBondContact CB-O 3.29Å; A415-S476 VanDerWaalsContact CB-OG 3.3Å; A415-S476 WeakPolarHBondContact CB-OG 3.36Å; E416-S476 PolarHBondContact N-O 2.98Å; V474-S476 VanDerWaalsContact CG1-OG 3.29Å; V474-S476 WeakPolarHBondContact CG1-OG 3.31Å; S476-N478 VanDerWaalsContact C-N 3.3Å; S476-N478 PolarHBondContact O-N 3.21Å; S476-N478 PolarHBondContact O-ND2 3.15Å; S476-N498 PolarHBondContact N-O 3.48Å; S476-S500 CarbonylContact C-O 3.53Å; S476-S500 WeakPolarHBondContact CA-O 3.39Å; S476-S500 WeakPolarHBondContact CB-O 3.32Å; S476-S500 WeakPolarHBondContact CB-OG 3.36Å
477	S	95.6	Very high	90.3	Very high	49 Å²	49	39.8 Å²	39.8	34%	0.343	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	40.1	177.4	-55	0	0	0	0	113.7	E416 S500 S501	E416-S477 VanDerWaalsContact CA-O 3.32Å; E416-S477 WeakPolarHBondContact CA-O 3.3Å; E416-S477 PolarHBondContact N-O 2.98Å; S477-S500 PolarHBondContact N-O 3.28Å; S477-S501 WeakPolarHBondContact CA-O 3.37Å
478	N	95.8	Very high	90.6	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	19%	0.188	C	C	.	.	S	Bend	trans	-105.7	-168.5	169.5	-83.2	-82	0	0	0	110.5	L414 N417 R418 L419 L475 S476 L480 N502	L414-N478 PolarHBondContact O-ND2 3.1Å; N417-N478 VanDerWaalsContact CA-OD1 3.29Å; N417-N478 WeakPolarHBondContact CA-OD1 3.35Å; N417-N478 WeakPolarHBondContact CB-OD1 3.42Å; N417-N478 PolarHBondContact N-OD1 3.27Å; N417-N478 PolarHBondContact O-OD1 3.23Å; R418-N478 PolarHBondContact N-OD1 3.35Å; L419-N478 HydrophobicContact CB-CB 4.16Å; L419-N478 VanDerWaalsContact CB-OD1 3.27Å; L419-N478 WeakPolarHBondContact CB-OD1 3.19Å; L419-N478 VanDerWaalsContact CG-OD1 3.29Å; L419-N478 WeakPolarHBondContact CG-OD1 3.13Å; L419-N478 PolarHBondContact N-OD1 3.37Å; L475-N478 PolarHBondContact O-ND2 2.9Å; S476-N478 VanDerWaalsContact C-N 3.3Å; S476-N478 PolarHBondContact O-N 3.21Å; S476-N478 PolarHBondContact O-ND2 3.15Å; N478-L480 HydrophobicContact CB-CG 4.26Å; N478-N502 VanDerWaalsContact C-OD1 3.23Å; N478-N502 WeakPolarHBondContact CA-OD1 3.42Å; N478-N502 WeakPolarHBondContact CB-OD1 3.39Å; N478-N502 PolarHBondContact N-OD1 3.47Å; N478-N502 WeakPolarHBondContact O-CA 3.37Å; N478-N502 PolarHBondContact O-OD1 2.65Å
479	N	93.4	Very high	90.9	Very high	66 Å²	66	37.5 Å²	37.5	35%	0.353	19%	0.188	S	C	.	.			trans	-108.3	34.9	179.4	-61.5	-28.3	0	0	0	111.8	L419 F481	L419-N479 CarbonylContact O-C 3.54Å; L419-N479 VanDerWaalsContact O-C 3.22Å; L419-N479 VanDerWaalsContact O-CA 3.27Å; L419-N479 WeakPolarHBondContact O-CA 3.37Å; L419-N479 WeakPolarHBondContact O-CB 3.44Å; L419-N479 PolarHBondContact O-N 3.21Å; N479-F481 WeakPolarHBondContact O-CD1 3.41Å; N479-F481 PolarHBondContact O-N 3.23Å
480	L	90.8	Very high	90.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	18%	0.175	C	C	.	.			trans	-81.1	76.5	-177.8	-56.4	173.8	0	0	0	111.7	L419 L475 N478 F482 L499 N502 F504	L419-L480 HydrophobicContact CB-CD2 4.34Å; L475-L480 HydrophobicContact CB-CD1 4.28Å; L475-L480 HydrophobicContact CD1-CD1 4.32Å; N478-L480 HydrophobicContact CB-CG 4.26Å; L480-F482 VanDerWaalsContact C-N 3.27Å; L480-F482 PolarHBondContact O-N 3.46Å; L480-L499 HydrophobicContact CD1-CD2 3.83Å; L480-N502 CarbonylContact C-O 3.46Å; L480-N502 HydrophobicContact CB-CB 4.04Å; L480-N502 VanDerWaalsContact CB-OD1 3.24Å; L480-N502 WeakPolarHBondContact CB-OD1 3.1Å; L480-N502 VanDerWaalsContact CG-OD1 3.28Å; L480-N502 WeakPolarHBondContact CG-OD1 3.43Å; L480-N502 PolarHBondContact N-O 3.02Å; L480-N502 PolarHBondContact N-OD1 2.98Å; L480-F504 WeakPolarHBondContact O-CA 3.23Å
481	F	87.8	Confident	91	Very high	117 Å²	117	34.7 Å²	34.7	51%	0.513	17%	0.166	S	C	.	.	S	Bend	trans	-73.2	-16	177.6	54.6	-94.5	0	0	0	114	P421 N479 S505	P421-F481 VanDerWaalsContact CD-CE1 3.44Å; P421-F481 HydrophobicContact CG-CD1 4.07Å; P421-F481 HydrophobicContact CG-CD2 4.06Å; P421-F481 HydrophobicContact CG-CE1 3.87Å; P421-F481 HydrophobicContact CG-CE2 3.87Å; P421-F481 HydrophobicContact CG-CG 4.16Å; P421-F481 HydrophobicContact CG-CZ 3.76Å; N479-F481 WeakPolarHBondContact O-CD1 3.41Å; N479-F481 PolarHBondContact O-N 3.23Å; F481-S505 PolarHBondContact O-N 3.02Å; F481-S505 VanDerWaalsContact O-N 3.16Å
482	F	87.3	Confident	90.7	Very high	81 Å²	81	34.2 Å²	34.2	36%	0.355	17%	0.173	S	C	.	.	S	Bend	trans	-138.7	148.5	173.1	173.7	-102.5	0	0	0	110.2	P421 L480 A506	P421-F482 HydrophobicContact CB-CB 4.34Å; P421-F482 HydrophobicContact CB-CD1 4.47Å; P421-F482 WeakPolarHBondContact CB-O 3.08Å; P421-F482 HydrophobicContact CG-CB 4.13Å; P421-F482 WeakPolarHBondContact CG-O 3.34Å; L480-F482 VanDerWaalsContact C-N 3.27Å; L480-F482 PolarHBondContact O-N 3.46Å; F482-A506 HydrophobicContact CD2-CB 4.09Å
483	I	87.1	Confident	90.5	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	20%	0.195	C	C	.	.			trans	-121	131.6	179.8	-62.8	172.5	0	0	0	108.6	F488 L499 F504 E512 F513	I483-F488 HydrophobicContact CG2-CE2 3.38Å; I483-F488 HydrophobicContact CG2-CZ 3.7Å; I483-L499 HydrophobicContact CD1-CD1 3.66Å; I483-F504 HydrophobicContact CB-CE2 3.94Å; I483-F504 HydrophobicContact CB-CZ 4.3Å; I483-F504 HydrophobicContact CD1-CD1 4.08Å; I483-F504 HydrophobicContact CD1-CD2 3.92Å; I483-F504 HydrophobicContact CD1-CE1 4.01Å; I483-F504 HydrophobicContact CD1-CE2 3.84Å; I483-F504 HydrophobicContact CD1-CG 4.05Å; I483-F504 HydrophobicContact CD1-CZ 3.89Å; I483-F504 HydrophobicContact CG1-CD2 3.8Å; I483-F504 HydrophobicContact CG1-CE2 3.67Å; I483-F504 HydrophobicContact CG1-CG 4.4Å; I483-F504 HydrophobicContact CG1-CZ 4.16Å; I483-E512 HydrophobicContact CB-CB 4.5Å; I483-E512 HydrophobicContact CG2-CB 4.08Å; I483-F513 HydrophobicContact CD1-CE1 4.11Å; I483-F513 HydrophobicContact CD1-CZ 3.89Å; I483-F513 HydrophobicContact CG2-CE1 4.2Å
484	S	85.9	Confident	90.4	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	20%	0.195	C	C	.	.			trans	-122.2	153.4	171.4	80.7	0	0	0	0	110.1	K486 Q487	S484-K486 PolarHBondContact O-N 3.22Å; S484-K486 VanDerWaalsContact O-N 3.15Å; S484-Q487 WeakPolarHBondContact O-CB 3.34Å; S484-Q487 PolarHBondContact O-N 2.85Å
485	Q	87.3	Confident	90.4	Very high	91 Å²	91	38.9 Å²	38.9	43%	0.425	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-54	-36.5	176.4	69.5	-175.1	7.1	0	0	112.7	Q487 F488 S514 L515	Q485-Q487 PolarHBondContact O-N 2.98Å; Q485-Q487 VanDerWaalsContact O-N 3.16Å; Q485-F488 PolarHBondContact O-N 2.82Å; Q485-F488 VanDerWaalsContact O-N 3.08Å; Q485-S514 PolarHBondContact OE1-OG 3.37Å; Q485-L515 HydrophobicContact CB-CD1 4.48Å; Q485-L515 HydrophobicContact CB-CG 4.27Å; Q485-L515 WeakPolarHBondContact O-CD1 3.33Å
486	K	86.1	Confident	90.5	Very high	106 Å²	106	38.9 Å²	38.9	46%	0.461	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25.6	179.5	-68.8	-171.9	175.3	-173.6	0	113.1	S484 F488 E489	S484-K486 PolarHBondContact O-N 3.22Å; S484-K486 VanDerWaalsContact O-N 3.15Å; K486-F488 PolarHBondContact O-N 2.82Å; K486-F488 VanDerWaalsContact O-N 3.14Å; K486-E489 PolarHBondContact O-N 2.95Å
487	Q	87.8	Confident	90.5	Very high	17 Å²	17	38.4 Å²	38.4	8%	0.079	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.7	177.8	-173	58.7	76.1	0	0	111.8	T422 S484 Q485 Y491	T422-Q487 PolarHBondContact OG1-OE1 2.86Å; S484-Q487 WeakPolarHBondContact O-CB 3.34Å; S484-Q487 PolarHBondContact O-N 2.85Å; Q485-Q487 PolarHBondContact O-N 2.98Å; Q485-Q487 VanDerWaalsContact O-N 3.16Å; Q487-Y491 VanDerWaalsContact O-CE2 3.3Å; Q487-Y491 WeakPolarHBondContact O-CE2 3.37Å
488	F	90.9	Very high	90.6	Very high	3 Å²	3	37 Å²	37	1%	0.013	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-105.9	-4.7	-172.4	-55.9	-62.3	0	0	0	115.6	L473 L475 I483 Q485 K486 G490 Y491 L497 L499 F513 L515 L516	L473-F488 HydrophobicContact CD2-CD1 4.45Å; L475-F488 HydrophobicContact CD1-CE1 4.18Å; I483-F488 HydrophobicContact CG2-CE2 3.38Å; I483-F488 HydrophobicContact CG2-CZ 3.7Å; Q485-F488 PolarHBondContact O-N 2.82Å; Q485-F488 VanDerWaalsContact O-N 3.08Å; K486-F488 PolarHBondContact O-N 2.82Å; K486-F488 VanDerWaalsContact O-N 3.14Å; F488-G490 PolarHBondContact O-N 2.86Å; F488-G490 VanDerWaalsContact O-N 3.1Å; F488-Y491 PolarHBondContact O-N 3.18Å; F488-L497 HydrophobicContact CE1-CD1 4.27Å; F488-L497 HydrophobicContact CE1-CD2 3.89Å; F488-L497 HydrophobicContact CZ-CD2 3.97Å; F488-L499 HydrophobicContact CZ-CD1 4.34Å; F488-F513 AromaticContact CE2-CD1 3.7Å; F488-F513 HydrophobicContact CE2-CD1 3.7Å; F488-F513 AromaticContact CE2-CE1 3.94Å; F488-F513 HydrophobicContact CE2-CE1 3.94Å; F488-F513 HydrophobicContact CZ-CD1 4.04Å; F488-F513 AromaticContact CZ-CE1 3.92Å; F488-F513 HydrophobicContact CZ-CE1 3.92Å; F488-L515 HydrophobicContact CB-CB 4.49Å; F488-L516 HydrophobicContact CB-CD1 4.27Å; F488-L516 HydrophobicContact CB-CD2 4.11Å; F488-L516 HydrophobicContact CB-CG 4.1Å; F488-L516 HydrophobicContact CD1-CD1 3.97Å; F488-L516 HydrophobicContact CD2-CD1 4.17Å; F488-L516 HydrophobicContact CE1-CD1 4.36Å; F488-L516 HydrophobicContact CG-CD1 3.87Å; F488-L516 HydrophobicContact CG-CG 4.22Å
489	E	88.4	Confident	90.5	Very high	126 Å²	126	36.8 Å²	36.8	59%	0.589	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.1	-172.5	-174.5	173.5	-168.8	0	0	114	K486 L515	K486-E489 PolarHBondContact O-N 2.95Å; E489-L515 HydrophobicContact CB-CD1 3.95Å; E489-L515 HydrophobicContact CG-CD1 4.48Å
490	G	87	Confident	90.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-1	-174.1	0	0	0	0	0	117.3	S400 N404 F488	S400-G490 VanDerWaalsContact C-CA 3.49Å; S400-G490 CarbonylContact O-C 3.49Å; S400-G490 VanDerWaalsContact O-C 3.27Å; S400-G490 VanDerWaalsContact O-CA 3.25Å; S400-G490 WeakPolarHBondContact O-CA 3.38Å; S400-G490 PolarHBondContact OG-N 3.13Å; N404-G490 PolarHBondContact N-O 2.98Å; N404-G490 WeakPolarHBondContact ND2-CA 3.11Å; N404-G490 VanDerWaalsContact OD1-C 3.24Å; N404-G490 PolarHBondContact OD1-O 2.92Å; F488-G490 PolarHBondContact O-N 2.86Å; F488-G490 VanDerWaalsContact O-N 3.1Å
491	Y	90.7	Very high	90.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-97.3	-10.9	-175	-63.9	-73.5	0	0	0	113.9	F403 I412 L414 R471 L473 Q487 F488	F403-Y491 HydrophobicContact CB-CD1 4.13Å; F403-Y491 HydrophobicContact CB-CE1 4.49Å; F403-Y491 AromaticContact CD2-CD1 3.75Å; F403-Y491 HydrophobicContact CD2-CD1 3.75Å; F403-Y491 AromaticContact CD2-CE1 3.25Å; F403-Y491 HydrophobicContact CD2-CE1 3.25Å; F403-Y491 HydrophobicContact CE2-CD1 4.43Å; F403-Y491 AromaticContact CE2-CE1 3.53Å; F403-Y491 HydrophobicContact CE2-CE1 3.53Å; F403-Y491 HydrophobicContact CG-CD1 4.05Å; F403-Y491 AromaticContact CG-CE1 3.95Å; F403-Y491 HydrophobicContact CG-CE1 3.95Å; F403-Y491 HydrophobicContact CZ-CE1 4.41Å; I412-Y491 HydrophobicContact CD1-CD1 3.98Å; I412-Y491 HydrophobicContact CG2-CE1 4.49Å; L414-Y491 HydrophobicContact CD1-CE1 4.04Å; R471-Y491 PolarHBondContact NH1-O 3.19Å; R471-Y491 PolarHBondContact NH2-O 2.83Å; L473-Y491 HydrophobicContact CD1-CD1 3.8Å; L473-Y491 HydrophobicContact CD1-CE1 3.79Å; L473-Y491 HydrophobicContact CD1-CG 4.34Å; L473-Y491 HydrophobicContact CD2-CD1 3.94Å; L473-Y491 HydrophobicContact CD2-CD2 3.67Å; L473-Y491 HydrophobicContact CD2-CE1 4.31Å; L473-Y491 HydrophobicContact CD2-CE2 4.07Å; L473-Y491 HydrophobicContact CD2-CG 3.6Å; Q487-Y491 VanDerWaalsContact O-CE2 3.3Å; Q487-Y491 WeakPolarHBondContact O-CE2 3.37Å; F488-Y491 PolarHBondContact O-N 3.18Å
492	G	86.7	Confident	91.1	Very high	29 Å²	29	31.1 Å²	31.1	30%	0.299	16%	0.164	S	C	.	.			trans	67.6	-150	-178.8	0	0	0	0	0	113.5	I494	G492-I494 PolarHBondContact O-N 2.59Å
493	D	89.9	Confident	91.2	Very high	87 Å²	87	28.7 Å²	28.7	47%	0.465	16%	0.161	S	C	.	.	S	Bend	trans	-80.6	87.7	-169.4	-163.9	30.9	0	0	0	113.2	R471 N518	R471-D493 WeakPolarHBondContact CB-O 3.32Å; R471-D493 WeakPolarHBondContact CD-O 3.38Å; D493-N518 WeakPolarHBondContact OD1-CB 3.4Å; D493-N518 PolarHBondContact OD1-ND2 2.83Å; D493-N518 PolarHBondContact OD2-ND2 3.27Å
494	I	94.9	Very high	91.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.			trans	-86.4	127.6	179.9	-57.7	-55.4	0	0	0	110.8	R471 L473 G492 C496 L497 L516 L519	R471-I494 HydrophobicContact CB-CD1 4.47Å; R471-I494 HydrophobicContact CG-CD1 3.77Å; L473-I494 HydrophobicContact CB-CD1 3.88Å; L473-I494 HydrophobicContact CB-CG1 4.03Å; L473-I494 HydrophobicContact CB-CG2 3.93Å; L473-I494 HydrophobicContact CD2-CG1 4.37Å; G492-I494 PolarHBondContact O-N 2.59Å; I494-C496 VanDerWaalsContact CG2-C 3.48Å; I494-C496 WeakPolarHBondContact CG2-O 3.16Å; I494-L497 HydrophobicContact CG2-CB 4.35Å; I494-L516 HydrophobicContact CB-CD2 4.01Å; I494-L516 HydrophobicContact CG1-CD2 4.09Å; I494-L519 HydrophobicContact CG2-CD1 4.09Å
495	A	95.5	Very high	91.4	Very high	12 Å²	12	30.3 Å²	30.3	10%	0.099	17%	0.173	C	C	.	.	S	Bend	trans	-95.4	-31	175.1	0	0	0	0	0	112.7	R471 T520 Y521	R471-A495 PolarHBondContact O-N 3.26Å; A495-T520 PolarHBondContact O-N 3.49Å; A495-T520 PolarHBondContact O-OG1 3.38Å; A495-Y521 PolarHBondContact O-N 2.62Å
496	C	95.9	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.5	171.7	177.1	0	0	0	0	112.3	C466 S469 R471 V472 L473 I494 Y521	C466-C496 HydrophobicContact CB-CB 3.93Å; C466-C496 WeakPolarHBondContact CB-SG 3.36Å; C466-C496 WeakPolarHBondContact O-CB 3.3Å; C466-C496 WeakPolarHBondContact SG-CB 3.5Å; C466-C496 CovalentContact SG-SG 1.99Å; C466-C496 PolarHBondContact SG-SG 3.49Å; S469-C496 WeakPolarHBondContact OG-CB 3.47Å; R471-C496 PolarHBondContact O-N 3.08Å; V472-C496 WeakPolarHBondContact CA-O 3.23Å; V472-C496 HydrophobicContact CG1-CB 4.19Å; V472-C496 HydrophobicContact CG2-CB 4.23Å; L473-C496 PolarHBondContact N-O 3.29Å; I494-C496 VanDerWaalsContact CG2-C 3.48Å; I494-C496 WeakPolarHBondContact CG2-O 3.16Å; C496-Y521 WeakPolarHBondContact CA-O 3.15Å; C496-Y521 VanDerWaalsContact SG-CD1 3.52Å
497	L	96.8	Very high	91.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.2	176.2	177.7	58.9	0	0	0	109.7	L473 L475 F488 I494 L499 F513 L516 L519 Y521 L522 D523	L473-L497 HydrophobicContact CB-CD1 4.11Å; L473-L497 HydrophobicContact CD2-CD1 3.93Å; L473-L497 HydrophobicContact CG-CD1 3.97Å; L473-L497 WeakPolarHBondContact O-CA 3.26Å; L475-L497 HydrophobicContact CD1-CD1 4.26Å; F488-L497 HydrophobicContact CE1-CD1 4.27Å; F488-L497 HydrophobicContact CE1-CD2 3.89Å; F488-L497 HydrophobicContact CZ-CD2 3.97Å; I494-L497 HydrophobicContact CG2-CB 4.35Å; L497-L499 HydrophobicContact CD1-CD1 4.41Å; L497-L499 HydrophobicContact CD1-CG 4.06Å; L497-L499 HydrophobicContact CD2-CD1 3.58Å; L497-L499 HydrophobicContact CD2-CG 4.12Å; L497-L499 HydrophobicContact CG-CD1 3.88Å; L497-L499 HydrophobicContact CG-CG 3.88Å; L497-F513 HydrophobicContact CD2-CD1 3.97Å; L497-F513 HydrophobicContact CD2-CE1 3.85Å; L497-L516 HydrophobicContact CD2-CD1 3.69Å; L497-L519 HydrophobicContact CB-CD1 3.6Å; L497-L519 HydrophobicContact CB-CD2 4.25Å; L497-Y521 PolarHBondContact N-O 3.27Å; L497-L522 HydrophobicContact CB-CD1 4.13Å; L497-L522 HydrophobicContact CD2-CD1 4.04Å; L497-L522 HydrophobicContact CG-CD1 4.1Å; L497-D523 PolarHBondContact O-N 3.2Å
498	N	95.8	Very high	91.8	Very high	18 Å²	18	22.4 Å²	22.4	10%	0.096	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.5	171.9	-176.6	-3.1	0	0	0	110.4	L473 V474 L475 S476 S500 D523	L473-N498 PolarHBondContact O-N 2.89Å; V474-N498 HydrophobicContact CG1-CB 4.13Å; L475-N498 CarbonylContact C-O 3.27Å; L475-N498 WeakPolarHBondContact CA-O 3.21Å; L475-N498 PolarHBondContact N-O 2.72Å; S476-N498 PolarHBondContact N-O 3.48Å; N498-S500 VanDerWaalsContact OD1-CB 3.28Å; N498-S500 WeakPolarHBondContact OD1-CB 3.07Å; N498-S500 PolarHBondContact OD1-N 2.93Å; N498-S500 PolarHBondContact OD1-OG 3.42Å; N498-D523 HydrophobicContact CB-CB 4.21Å
499	L	95.5	Very high	91.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	16%	0.161	C	C	.	.			trans	-115.7	21	177.3	-75.7	166.2	0	0	0	111.8	L475 L480 I483 F488 L497 N502 F513 L522 D523 L524 N527	L475-L499 HydrophobicContact CB-CD2 3.83Å; L475-L499 HydrophobicContact CD1-CD2 4.04Å; L480-L499 HydrophobicContact CD1-CD2 3.83Å; I483-L499 HydrophobicContact CD1-CD1 3.66Å; F488-L499 HydrophobicContact CZ-CD1 4.34Å; L497-L499 HydrophobicContact CD1-CD1 4.41Å; L497-L499 HydrophobicContact CD1-CG 4.06Å; L497-L499 HydrophobicContact CD2-CD1 3.58Å; L497-L499 HydrophobicContact CD2-CG 4.12Å; L497-L499 HydrophobicContact CG-CD1 3.88Å; L497-L499 HydrophobicContact CG-CG 3.88Å; L499-N502 VanDerWaalsContact C-ND2 3.35Å; L499-N502 PolarHBondContact O-ND2 3.49Å; L499-F513 HydrophobicContact CD1-CE1 3.65Å; L499-F513 HydrophobicContact CD1-CZ 4.05Å; L499-L522 HydrophobicContact CD1-CD1 4.35Å; L499-D523 CarbonylContact C-O 3.17Å; L499-D523 WeakPolarHBondContact CA-O 3.25Å; L499-D523 PolarHBondContact N-O 3.45Å; L499-L524 HydrophobicContact CB-CD2 3.83Å; L499-L524 HydrophobicContact CD1-CD2 4.02Å; L499-N527 PolarHBondContact O-ND2 3.19Å
500	S	95.5	Very high	92	Very high	16 Å²	16	19.3 Å²	19.3	11%	0.112	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	150.9	-177.1	75.9	0	0	0	0	112.1	S476 S477 N498 N502 S525	S476-S500 CarbonylContact C-O 3.53Å; S476-S500 WeakPolarHBondContact CA-O 3.39Å; S476-S500 WeakPolarHBondContact CB-O 3.32Å; S476-S500 WeakPolarHBondContact CB-OG 3.36Å; S477-S500 PolarHBondContact N-O 3.28Å; N498-S500 VanDerWaalsContact OD1-CB 3.28Å; N498-S500 WeakPolarHBondContact OD1-CB 3.07Å; N498-S500 PolarHBondContact OD1-N 2.93Å; N498-S500 PolarHBondContact OD1-OG 3.42Å; S500-N502 VanDerWaalsContact C-N 3.32Å; S500-N502 PolarHBondContact O-N 3.41Å; S500-N502 PolarHBondContact O-ND2 2.85Å; S500-S525 CarbonylContact C-O 3.23Å; S500-S525 WeakPolarHBondContact CA-O 3.29Å; S500-S525 WeakPolarHBondContact CB-O 3.22Å; S500-S525 VanDerWaalsContact CB-OG 3.28Å; S500-S525 WeakPolarHBondContact CB-OG 3.11Å
501	S	94.9	Very high	92.3	Very high	45 Å²	45	22.9 Å²	22.9	32%	0.315	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	32.9	171.9	-50.2	0	0	0	0	115.4	S477 S525 F526	S477-S501 WeakPolarHBondContact CA-O 3.37Å; S501-S525 PolarHBondContact N-O 3.23Å; S501-F526 VanDerWaalsContact CA-O 3.32Å; S501-F526 WeakPolarHBondContact CA-O 3.19Å; S501-F526 WeakPolarHBondContact OG-CB 3.23Å
502	N	93.1	Very high	92.3	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.043	16%	0.159	C	C	.	.	S	Bend	trans	-95.3	-12.1	179.6	-91.7	-82.4	0	0	0	114.9	L475 N478 L480 L499 S500 F504 N527	L475-N502 PolarHBondContact O-ND2 3.17Å; N478-N502 VanDerWaalsContact C-OD1 3.23Å; N478-N502 WeakPolarHBondContact CA-OD1 3.42Å; N478-N502 WeakPolarHBondContact CB-OD1 3.39Å; N478-N502 PolarHBondContact N-OD1 3.47Å; N478-N502 WeakPolarHBondContact O-CA 3.37Å; N478-N502 PolarHBondContact O-OD1 2.65Å; L480-N502 CarbonylContact C-O 3.46Å; L480-N502 HydrophobicContact CB-CB 4.04Å; L480-N502 VanDerWaalsContact CB-OD1 3.24Å; L480-N502 WeakPolarHBondContact CB-OD1 3.1Å; L480-N502 VanDerWaalsContact CG-OD1 3.28Å; L480-N502 WeakPolarHBondContact CG-OD1 3.43Å; L480-N502 PolarHBondContact N-O 3.02Å; L480-N502 PolarHBondContact N-OD1 2.98Å; L499-N502 VanDerWaalsContact C-ND2 3.35Å; L499-N502 PolarHBondContact O-ND2 3.49Å; S500-N502 VanDerWaalsContact C-N 3.32Å; S500-N502 PolarHBondContact O-N 3.41Å; S500-N502 PolarHBondContact O-ND2 2.85Å; N502-F504 VanDerWaalsContact C-N 3.26Å; N502-N527 WeakPolarHBondContact CA-OD1 3.19Å; N502-N527 WeakPolarHBondContact CB-OD1 3.38Å; N502-N527 PolarHBondContact N-OD1 3.41Å
503	G	89	Confident	92.7	Very high	29 Å²	29	22 Å²	22	30%	0.299	15%	0.145	S	C	.	.			trans	71.4	20.4	-171.1	0	0	0	0	0	113.6	S505 N527	G503-S505 PolarHBondContact O-N 2.97Å; G503-N527 PolarHBondContact N-OD1 3.18Å
504	F	88.8	Confident	92.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	14%	0.139	C	C	.	.			trans	-55.3	117.6	177.8	-179.7	-128.6	0	0	0	110.5	L480 I483 N502 A506 L524 N527 K528 I529	L480-F504 WeakPolarHBondContact O-CA 3.23Å; I483-F504 HydrophobicContact CB-CE2 3.94Å; I483-F504 HydrophobicContact CB-CZ 4.3Å; I483-F504 HydrophobicContact CD1-CD1 4.08Å; I483-F504 HydrophobicContact CD1-CD2 3.92Å; I483-F504 HydrophobicContact CD1-CE1 4.01Å; I483-F504 HydrophobicContact CD1-CE2 3.84Å; I483-F504 HydrophobicContact CD1-CG 4.05Å; I483-F504 HydrophobicContact CD1-CZ 3.89Å; I483-F504 HydrophobicContact CG1-CD2 3.8Å; I483-F504 HydrophobicContact CG1-CE2 3.67Å; I483-F504 HydrophobicContact CG1-CG 4.4Å; I483-F504 HydrophobicContact CG1-CZ 4.16Å; N502-F504 VanDerWaalsContact C-N 3.26Å; F504-A506 HydrophobicContact CD2-CB 4.27Å; F504-A506 HydrophobicContact CE2-CB 3.47Å; F504-A506 VanDerWaalsContact CE2-CB 3.47Å; F504-A506 HydrophobicContact CZ-CB 3.78Å; F504-L524 HydrophobicContact CD1-CD2 4.33Å; F504-N527 HydrophobicContact CB-CB 4.09Å; F504-N527 WeakPolarHBondContact CB-OD1 3.47Å; F504-N527 PolarHBondContact N-OD1 3.08Å; F504-K528 CarbonylContact O-C 3.46Å; F504-K528 WeakPolarHBondContact O-CA 3.29Å; F504-K528 PolarHBondContact O-N 3.39Å; F504-I529 HydrophobicContact CD1-CD1 4.22Å; F504-I529 HydrophobicContact CD1-CG1 3.77Å; F504-I529 HydrophobicContact CE1-CG1 4.23Å
505	S	88.8	Confident	92.7	Very high	46 Å²	46	23.8 Å²	23.8	32%	0.322	16%	0.158	S	C	.	.			trans	-122.8	13.7	-172.3	69.8	0	0	0	0	114.1	F481 G503 K528 Y554	F481-S505 PolarHBondContact O-N 3.02Å; F481-S505 VanDerWaalsContact O-N 3.16Å; G503-S505 PolarHBondContact O-N 2.97Å; S505-K528 WeakPolarHBondContact CA-O 3.25Å; S505-Y554 PolarHBondContact O-OH 3.42Å
506	A	84.3	Confident	92.7	Very high	21 Å²	21	23.2 Å²	23.2	17%	0.174	15%	0.153	C	C	.	.			trans	-85.8	157.1	178.9	0	0	0	0	0	111.3	F482 F504 P508	F482-A506 HydrophobicContact CD2-CB 4.09Å; F504-A506 HydrophobicContact CD2-CB 4.27Å; F504-A506 HydrophobicContact CE2-CB 3.47Å; F504-A506 VanDerWaalsContact CE2-CB 3.47Å; F504-A506 HydrophobicContact CZ-CB 3.78Å; A506-P508 VanDerWaalsContact O-CD 3.26Å; A506-P508 WeakPolarHBondContact O-CD 3.48Å
507	A	91.8	Very high	92.4	Very high	27 Å²	27	26.7 Å²	26.7	22%	0.223	18%	0.175	C	C	.	.			trans	-89.4	104.2	171	0	0	0	0	0	109.7	N509 D530 A532 Y533	A507-N509 PolarHBondContact O-N 3.45Å; A507-D530 VanDerWaalsContact CA-O 3.23Å; A507-D530 WeakPolarHBondContact CA-O 3.4Å; A507-D530 HydrophobicContact CB-CB 4Å; A507-D530 WeakPolarHBondContact CB-O 2.99Å; A507-A532 HydrophobicContact CB-CB 4.14Å; A507-Y533 HydrophobicContact CB-CD2 3.98Å; A507-Y533 HydrophobicContact CB-CE2 3.68Å
508	P	92.8	Very high	92.3	Very high	1 Å²	1	29 Å²	29	1%	0.006	19%	0.187	C	C	.	.			trans	-62.1	128.3	-176.9	24	-32.9	0	0	0	110.9	A506 E512 I529 D530 A536 F537	A506-P508 VanDerWaalsContact O-CD 3.26Å; A506-P508 WeakPolarHBondContact O-CD 3.48Å; P508-E512 VanDerWaalsContact CA-OE1 3.29Å; P508-E512 WeakPolarHBondContact CA-OE1 3.22Å; P508-I529 HydrophobicContact CG-CG2 4.22Å; P508-D530 WeakPolarHBondContact CD-O 3.2Å; P508-A536 HydrophobicContact CB-CB 4.31Å; P508-A536 HydrophobicContact CG-CB 4.01Å; P508-A536 WeakPolarHBondContact O-CA 3.43Å; P508-A536 WeakPolarHBondContact O-CB 3.18Å; P508-F537 HydrophobicContact CB-CE1 4.25Å; P508-F537 HydrophobicContact CB-CZ 4.33Å; P508-F537 HydrophobicContact CG-CE1 4.23Å; P508-F537 HydrophobicContact CG-CE2 4.22Å; P508-F537 HydrophobicContact CG-CZ 3.81Å
509	N	91.9	Very high	92.3	Very high	59 Å²	59	28.1 Å²	28.1	32%	0.316	18%	0.183	S	C	.	.			trans	-108.1	4.6	178.5	72.5	14.1	0	0	0	113	A507 T511 E512 Y533 N535	A507-N509 PolarHBondContact O-N 3.45Å; N509-T511 WeakPolarHBondContact OD1-CB 3.49Å; N509-T511 WeakPolarHBondContact OD1-CG2 3.42Å; N509-T511 PolarHBondContact OD1-N 2.71Å; N509-T511 PolarHBondContact OD1-OG1 3.39Å; N509-E512 PolarHBondContact N-OE1 3.44Å; N509-E512 PolarHBondContact N-OE2 3.38Å; N509-E512 PolarHBondContact OD1-OE1 3.04Å; N509-Y533 HydrophobicContact CB-CD2 4.05Å; N509-Y533 HydrophobicContact CB-CE2 4.4Å; N509-N535 WeakPolarHBondContact CA-OD1 3.48Å; N509-N535 PolarHBondContact O-ND2 3.03Å; N509-N535 PolarHBondContact O-OD1 2.96Å; N509-N535 VanDerWaalsContact O-OD1 3.13Å
510	G	92.4	Very high	92.4	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	19%	0.191	C	C	.	.	S	Bend	trans	86.2	33	174.8	0	0	0	0	0	114.3	E512 N535 E539	G510-E512 PolarHBondContact N-OE2 3.48Å; G510-N535 WeakPolarHBondContact CA-O 3.41Å; G510-E539 WeakPolarHBondContact CA-OE2 3.41Å
511	T	92.8	Very high	92.5	Very high	75 Å²	75	29 Å²	29	46%	0.46	19%	0.187	S	C	.	.			trans	-124.9	-16.8	174	61.5	0	0	0	0	113	N509 F513 S514	N509-T511 WeakPolarHBondContact OD1-CB 3.49Å; N509-T511 WeakPolarHBondContact OD1-CG2 3.42Å; N509-T511 PolarHBondContact OD1-N 2.71Å; N509-T511 PolarHBondContact OD1-OG1 3.39Å; T511-F513 VanDerWaalsContact C-N 3.3Å; T511-F513 PolarHBondContact O-N 2.98Å; T511-S514 WeakPolarHBondContact O-CB 3.13Å; T511-S514 PolarHBondContact O-N 3.44Å; T511-S514 PolarHBondContact O-OG 3.26Å
512	E	91.9	Very high	92.6	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.056	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-34.6	-169.7	-64.8	79.3	-177	0	0	112.5	I483 P508 N509 G510 E539	I483-E512 HydrophobicContact CB-CB 4.5Å; I483-E512 HydrophobicContact CG2-CB 4.08Å; P508-E512 VanDerWaalsContact CA-OE1 3.29Å; P508-E512 WeakPolarHBondContact CA-OE1 3.22Å; N509-E512 PolarHBondContact N-OE1 3.44Å; N509-E512 PolarHBondContact N-OE2 3.38Å; N509-E512 PolarHBondContact OD1-OE1 3.04Å; G510-E512 PolarHBondContact N-OE2 3.48Å; E512-E539 PolarHBondContact N-OE1 3.4Å
513	F	94.3	Very high	92.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	20.3	-176.1	-52.7	-73.1	0	0	0	113.4	I483 F488 L497 L499 T511 L515 L516 L522 F537 E539 L540	I483-F513 HydrophobicContact CD1-CE1 4.11Å; I483-F513 HydrophobicContact CD1-CZ 3.89Å; I483-F513 HydrophobicContact CG2-CE1 4.2Å; F488-F513 AromaticContact CE2-CD1 3.7Å; F488-F513 HydrophobicContact CE2-CD1 3.7Å; F488-F513 AromaticContact CE2-CE1 3.94Å; F488-F513 HydrophobicContact CE2-CE1 3.94Å; F488-F513 HydrophobicContact CZ-CD1 4.04Å; F488-F513 AromaticContact CZ-CE1 3.92Å; F488-F513 HydrophobicContact CZ-CE1 3.92Å; L497-F513 HydrophobicContact CD2-CD1 3.97Å; L497-F513 HydrophobicContact CD2-CE1 3.85Å; L499-F513 HydrophobicContact CD1-CE1 3.65Å; L499-F513 HydrophobicContact CD1-CZ 4.05Å; T511-F513 VanDerWaalsContact C-N 3.3Å; T511-F513 PolarHBondContact O-N 2.98Å; F513-L515 PolarHBondContact O-N 3.48Å; F513-L515 VanDerWaalsContact O-N 3.14Å; F513-L516 HydrophobicContact CD1-CD1 4.45Å; F513-L516 PolarHBondContact O-N 2.88Å; F513-L522 HydrophobicContact CD2-CD2 4.43Å; F513-L522 HydrophobicContact CE1-CD1 4.5Å; F513-L522 HydrophobicContact CE2-CD2 4.1Å; F513-L522 HydrophobicContact CZ-CD1 4.5Å; F513-L522 HydrophobicContact CZ-CD2 4.28Å; F513-F537 HydrophobicContact CD2-CD1 4.37Å; F513-F537 HydrophobicContact CE2-CD1 4.1Å; F513-F537 HydrophobicContact CE2-CE1 4.03Å; F513-E539 HydrophobicContact CB-CG 4.16Å; F513-E539 WeakPolarHBondContact CB-OE1 3.15Å; F513-E539 WeakPolarHBondContact CD2-OE1 3.31Å; F513-E539 PolarHBondContact N-OE1 3.23Å; F513-L540 HydrophobicContact CB-CD1 4.45Å; F513-L540 HydrophobicContact CB-CD2 3.64Å; F513-L540 HydrophobicContact CB-CG 4.27Å; F513-L540 HydrophobicContact CD2-CD1 4.15Å; F513-L540 HydrophobicContact CG-CD1 4.48Å; F513-L540 HydrophobicContact CG-CD2 4.45Å
514	S	92.8	Very high	93.1	Very high	48 Å²	48	25.5 Å²	25.5	34%	0.336	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.4	-176	53.9	0	0	0	0	114.4	Q485 T511 L516	Q485-S514 PolarHBondContact OE1-OG 3.37Å; T511-S514 WeakPolarHBondContact O-CB 3.13Å; T511-S514 PolarHBondContact O-N 3.44Å; T511-S514 PolarHBondContact O-OG 3.26Å; S514-L516 VanDerWaalsContact C-N 3.27Å; S514-L516 PolarHBondContact O-N 2.84Å
515	L	92.7	Very high	93.5	Very high	76 Å²	76	25.7 Å²	25.7	40%	0.398	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.8	174.6	-62.2	-171.8	0	0	0	114.1	Q485 F488 E489 F513 P517	Q485-L515 HydrophobicContact CB-CD1 4.48Å; Q485-L515 HydrophobicContact CB-CG 4.27Å; Q485-L515 WeakPolarHBondContact O-CD1 3.33Å; F488-L515 HydrophobicContact CB-CB 4.49Å; E489-L515 HydrophobicContact CB-CD1 3.95Å; E489-L515 HydrophobicContact CG-CD1 4.48Å; F513-L515 PolarHBondContact O-N 3.48Å; F513-L515 VanDerWaalsContact O-N 3.14Å; L515-P517 VanDerWaalsContact O-CD 3.28Å; L515-P517 WeakPolarHBondContact O-CD 3.3Å
516	L	94.1	Very high	93.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.			trans	-119.2	60.9	179.6	-58.5	-179.8	0	0	0	111.8	F488 I494 L497 F513 S514 N518 L519	F488-L516 HydrophobicContact CB-CD1 4.27Å; F488-L516 HydrophobicContact CB-CD2 4.11Å; F488-L516 HydrophobicContact CB-CG 4.1Å; F488-L516 HydrophobicContact CD1-CD1 3.97Å; F488-L516 HydrophobicContact CD2-CD1 4.17Å; F488-L516 HydrophobicContact CE1-CD1 4.36Å; F488-L516 HydrophobicContact CG-CD1 3.87Å; F488-L516 HydrophobicContact CG-CG 4.22Å; I494-L516 HydrophobicContact CB-CD2 4.01Å; I494-L516 HydrophobicContact CG1-CD2 4.09Å; L497-L516 HydrophobicContact CD2-CD1 3.69Å; F513-L516 HydrophobicContact CD1-CD1 4.45Å; F513-L516 PolarHBondContact O-N 2.88Å; S514-L516 VanDerWaalsContact C-N 3.27Å; S514-L516 PolarHBondContact O-N 2.84Å; L516-N518 VanDerWaalsContact C-N 3.27Å; L516-N518 PolarHBondContact O-N 2.88Å; L516-L519 HydrophobicContact CB-CB 4.38Å; L516-L519 WeakPolarHBondContact O-CB 3.14Å; L516-L519 PolarHBondContact O-N 3.05Å
517	P	90.9	Very high	94.4	Very high	73 Å²	73	27.6 Å²	27.6	47%	0.474	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.6	-171	28.9	-37.1	0	0	0	114.5	L515	L515-P517 VanDerWaalsContact O-CD 3.28Å; L515-P517 WeakPolarHBondContact O-CD 3.3Å
518	N	94.1	Very high	94.5	Very high	47 Å²	47	30.7 Å²	30.7	25%	0.251	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	16.2	178.8	-60.4	-39.1	0	0	0	114	D493 L516 T520 K542	D493-N518 WeakPolarHBondContact OD1-CB 3.4Å; D493-N518 PolarHBondContact OD1-ND2 2.83Å; D493-N518 PolarHBondContact OD2-ND2 3.27Å; L516-N518 VanDerWaalsContact C-N 3.27Å; L516-N518 PolarHBondContact O-N 2.88Å; N518-T520 PolarHBondContact O-N 3.21Å; N518-K542 PolarHBondContact OD1-NZ 3.04Å
519	L	96.8	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.167	C	C	.	.			trans	-64.9	124.4	178	-163.8	71.1	0	0	0	110.8	I494 L497 L516 L522 L540 K542 L543	I494-L519 HydrophobicContact CG2-CD1 4.09Å; L497-L519 HydrophobicContact CB-CD1 3.6Å; L497-L519 HydrophobicContact CB-CD2 4.25Å; L516-L519 HydrophobicContact CB-CB 4.38Å; L516-L519 WeakPolarHBondContact O-CB 3.14Å; L516-L519 PolarHBondContact O-N 3.05Å; L519-L522 HydrophobicContact CD2-CB 4Å; L519-L522 HydrophobicContact CD2-CD1 4.18Å; L519-L522 HydrophobicContact CD2-CD2 4.28Å; L519-L522 HydrophobicContact CD2-CG 4.38Å; L519-L540 HydrophobicContact CB-CD2 4.03Å; L519-L540 HydrophobicContact CD2-CD1 4.14Å; L519-L540 HydrophobicContact CD2-CD2 3.91Å; L519-K542 CarbonylContact O-C 3.22Å; L519-K542 VanDerWaalsContact O-C 3.23Å; L519-L543 HydrophobicContact CD2-CD1 4.45Å; L519-L543 HydrophobicContact CG-CD1 4.38Å; L519-L543 WeakPolarHBondContact O-CA 3.1Å; L519-L543 PolarHBondContact O-N 3.39Å
520	T	96.9	Very high	94.6	Very high	27 Å²	27	29.4 Å²	29.4	17%	0.166	16%	0.16	C	C	.	.			trans	-111.5	-26	179.9	61.8	0	0	0	0	112.3	S469 A495 N518 K542 E544 V545	S469-T520 VanDerWaalsContact CB-OG1 3.31Å; S469-T520 WeakPolarHBondContact CB-OG1 3.33Å; A495-T520 PolarHBondContact O-N 3.49Å; A495-T520 PolarHBondContact O-OG1 3.38Å; N518-T520 PolarHBondContact O-N 3.21Å; T520-K542 WeakPolarHBondContact CA-O 3.27Å; T520-E544 PolarHBondContact O-N 2.89Å; T520-V545 PolarHBondContact O-N 2.82Å
521	Y	97.3	Very high	94.7	Very high	9 Å²	9	29.4 Å²	29.4	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125	178.7	-168.5	-63.2	0	0	0	110	K463 Q465 C466 A495 C496 L497 D523 V545	K463-Y521 WeakPolarHBondContact CD-OH 3.5Å; K463-Y521 PolarHBondContact NZ-OH 2.85Å; Q465-Y521 HydrophobicContact CB-CD2 4.4Å; Q465-Y521 HydrophobicContact CB-CE2 4.11Å; C466-Y521 HydrophobicContact CB-CD1 3.96Å; C466-Y521 HydrophobicContact CB-CD2 3.97Å; C466-Y521 HydrophobicContact CB-CE1 4.22Å; C466-Y521 HydrophobicContact CB-CE2 4.17Å; C466-Y521 HydrophobicContact CB-CG 3.89Å; A495-Y521 PolarHBondContact O-N 2.62Å; C496-Y521 WeakPolarHBondContact CA-O 3.15Å; C496-Y521 VanDerWaalsContact SG-CD1 3.52Å; L497-Y521 PolarHBondContact N-O 3.27Å; Y521-D523 HydrophobicContact CE1-CB 3.98Å; Y521-V545 HydrophobicContact CD2-CB 3.59Å; Y521-V545 HydrophobicContact CD2-CG1 3.75Å; Y521-V545 HydrophobicContact CD2-CG2 3.97Å; Y521-V545 HydrophobicContact CE1-CG1 4.5Å; Y521-V545 HydrophobicContact CE2-CB 3.83Å; Y521-V545 HydrophobicContact CE2-CG1 3.42Å; Y521-V545 VanDerWaalsContact CE2-CG1 3.42Å; Y521-V545 HydrophobicContact CE2-CG2 4.26Å; Y521-V545 HydrophobicContact CG-CB 4.12Å; Y521-V545 HydrophobicContact CG-CG1 4.42Å
522	L	97.3	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	115.1	175	179.6	54	0	0	0	110.6	L497 L499 F513 L519 L524 F537 L540 L543 V545 L546 D547	L497-L522 HydrophobicContact CB-CD1 4.13Å; L497-L522 HydrophobicContact CD2-CD1 4.04Å; L497-L522 HydrophobicContact CG-CD1 4.1Å; L499-L522 HydrophobicContact CD1-CD1 4.35Å; F513-L522 HydrophobicContact CD2-CD2 4.43Å; F513-L522 HydrophobicContact CE1-CD1 4.5Å; F513-L522 HydrophobicContact CE2-CD2 4.1Å; F513-L522 HydrophobicContact CZ-CD1 4.5Å; F513-L522 HydrophobicContact CZ-CD2 4.28Å; L519-L522 HydrophobicContact CD2-CB 4Å; L519-L522 HydrophobicContact CD2-CD1 4.18Å; L519-L522 HydrophobicContact CD2-CD2 4.28Å; L519-L522 HydrophobicContact CD2-CG 4.38Å; L522-L524 HydrophobicContact CD1-CD1 4.3Å; L522-L524 HydrophobicContact CD1-CD2 4.48Å; L522-L524 HydrophobicContact CD1-CG 3.97Å; L522-L524 HydrophobicContact CD2-CD1 3.7Å; L522-L524 HydrophobicContact CD2-CG 4.28Å; L522-L524 HydrophobicContact CG-CD1 3.86Å; L522-L524 HydrophobicContact CG-CG 3.9Å; L522-F537 HydrophobicContact CD2-CD1 4.24Å; L522-F537 HydrophobicContact CD2-CE1 4.29Å; L522-L540 HydrophobicContact CD2-CD1 3.61Å; L522-L543 HydrophobicContact CB-CD1 3.74Å; L522-V545 PolarHBondContact N-O 2.92Å; L522-L546 HydrophobicContact CB-CD1 4.12Å; L522-L546 HydrophobicContact CD2-CD1 4.03Å; L522-L546 HydrophobicContact CG-CD1 4.07Å; L522-D547 PolarHBondContact O-N 3.33Å
523	D	96.6	Very high	94.7	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.3	170.6	-153	-45.4	0	0	0	110.5	K463 L497 N498 L499 Y521 S525	K463-D523 IonicContact NZ-OD2 3.29Å; K463-D523 PolarHBondContact NZ-OD2 2.79Å; L497-D523 PolarHBondContact O-N 3.2Å; N498-D523 HydrophobicContact CB-CB 4.21Å; L499-D523 CarbonylContact C-O 3.17Å; L499-D523 WeakPolarHBondContact CA-O 3.25Å; L499-D523 PolarHBondContact N-O 3.45Å; Y521-D523 HydrophobicContact CE1-CB 3.98Å; D523-S525 VanDerWaalsContact OD1-CB 3.22Å; D523-S525 WeakPolarHBondContact OD1-CB 3.42Å; D523-S525 PolarHBondContact OD1-N 2.94Å; D523-S525 PolarHBondContact OD1-OG 2.88Å
524	L	96.3	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.			trans	-122.3	20.2	177.3	-81.3	171.7	0	0	0	111.3	L499 F504 L522 N527 I529 F537 L546 D547 L548 N551	L499-L524 HydrophobicContact CB-CD2 3.83Å; L499-L524 HydrophobicContact CD1-CD2 4.02Å; F504-L524 HydrophobicContact CD1-CD2 4.33Å; L522-L524 HydrophobicContact CD1-CD1 4.3Å; L522-L524 HydrophobicContact CD1-CD2 4.48Å; L522-L524 HydrophobicContact CD1-CG 3.97Å; L522-L524 HydrophobicContact CD2-CD1 3.7Å; L522-L524 HydrophobicContact CD2-CG 4.28Å; L522-L524 HydrophobicContact CG-CD1 3.86Å; L522-L524 HydrophobicContact CG-CG 3.9Å; L524-N527 PolarHBondContact O-ND2 3.05Å; L524-I529 HydrophobicContact CB-CD1 3.56Å; L524-I529 HydrophobicContact CD1-CD1 3.8Å; L524-I529 HydrophobicContact CD2-CD1 4.11Å; L524-I529 HydrophobicContact CG-CD1 4.03Å; L524-F537 HydrophobicContact CD1-CE1 3.56Å; L524-F537 HydrophobicContact CD1-CZ 3.83Å; L524-L546 HydrophobicContact CD1-CD1 4.41Å; L524-D547 CarbonylContact C-O 3.56Å; L524-D547 WeakPolarHBondContact CA-O 3.32Å; L524-D547 WeakPolarHBondContact CB-O 3.36Å; L524-D547 PolarHBondContact N-O 3.41Å; L524-L548 HydrophobicContact CB-CD2 4.03Å; L524-L548 HydrophobicContact CD1-CD2 4.11Å; L524-N551 PolarHBondContact O-ND2 3.18Å
525	S	96.3	Very high	94.6	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.042	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	157.1	-176.8	62	0	0	0	0	113.2	S500 S501 D523 N527 D547 S549	S500-S525 CarbonylContact C-O 3.23Å; S500-S525 WeakPolarHBondContact CA-O 3.29Å; S500-S525 WeakPolarHBondContact CB-O 3.22Å; S500-S525 VanDerWaalsContact CB-OG 3.28Å; S500-S525 WeakPolarHBondContact CB-OG 3.11Å; S501-S525 PolarHBondContact N-O 3.23Å; D523-S525 VanDerWaalsContact OD1-CB 3.22Å; D523-S525 WeakPolarHBondContact OD1-CB 3.42Å; D523-S525 PolarHBondContact OD1-N 2.94Å; D523-S525 PolarHBondContact OD1-OG 2.88Å; S525-N527 VanDerWaalsContact C-N 3.29Å; S525-N527 PolarHBondContact O-N 2.85Å; S525-N527 PolarHBondContact O-ND2 3.46Å; S525-D547 PolarHBondContact N-O 3.07Å; S525-S549 CarbonylContact C-O 3.33Å; S525-S549 WeakPolarHBondContact CA-O 3.3Å; S525-S549 WeakPolarHBondContact CB-O 3.43Å; S525-S549 WeakPolarHBondContact CB-OG 3.29Å
526	F	96	Very high	94.7	Very high	100 Å²	100	33 Å²	33	44%	0.439	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.9	179.1	-62.2	-90.1	0	0	0	114.1	S501 S549 W550	S501-F526 VanDerWaalsContact CA-O 3.32Å; S501-F526 WeakPolarHBondContact CA-O 3.19Å; S501-F526 WeakPolarHBondContact OG-CB 3.23Å; F526-S549 PolarHBondContact N-O 2.89Å; F526-W550 WeakPolarHBondContact CA-O 3.39Å; F526-W550 HydrophobicContact CB-CB 4.3Å; F526-W550 HydrophobicContact CD1-CB 3.62Å; F526-W550 HydrophobicContact CD1-CD2 4Å; F526-W550 HydrophobicContact CD1-CE3 4.26Å; F526-W550 AromaticContact CD1-CG 3.75Å; F526-W550 HydrophobicContact CD1-CG 3.75Å; F526-W550 HydrophobicContact CD2-CB 4.07Å; F526-W550 HydrophobicContact CD2-CG 4.17Å; F526-W550 HydrophobicContact CE1-CB 3.86Å; F526-W550 AromaticContact CE1-CD1 3.85Å; F526-W550 AromaticContact CE1-CD2 3.36Å; F526-W550 HydrophobicContact CE1-CD2 3.36Å; F526-W550 AromaticContact CE1-CE2 3.77Å; F526-W550 AromaticContact CE1-CE3 3.74Å; F526-W550 HydrophobicContact CE1-CE3 3.74Å; F526-W550 AromaticContact CE1-CG 3.43Å; F526-W550 HydrophobicContact CE1-CG 3.43Å; F526-W550 VanDerWaalsContact CE1-CG 3.43Å; F526-W550 HydrophobicContact CE1-CZ2 4.44Å; F526-W550 HydrophobicContact CE1-CZ3 4.42Å; F526-W550 HydrophobicContact CE2-CB 4.28Å; F526-W550 AromaticContact CE2-CD1 3.57Å; F526-W550 HydrophobicContact CE2-CD2 4.48Å; F526-W550 AromaticContact CE2-CG 3.88Å; F526-W550 HydrophobicContact CE2-CG 3.88Å; F526-W550 HydrophobicContact CG-CB 3.72Å; F526-W550 HydrophobicContact CG-CG 4.11Å; F526-W550 HydrophobicContact CZ-CB 4.18Å; F526-W550 AromaticContact CZ-CD1 3.39Å; F526-W550 AromaticContact CZ-CD2 3.64Å; F526-W550 HydrophobicContact CZ-CD2 3.64Å; F526-W550 AromaticContact CZ-CE2 3.63Å; F526-W550 HydrophobicContact CZ-CE3 4.44Å; F526-W550 AromaticContact CZ-CG 3.5Å; F526-W550 HydrophobicContact CZ-CG 3.5Å; F526-W550 HydrophobicContact CZ-CZ2 4.39Å; F526-W550 AromaticContact CZ-NE1 3.47Å
527	N	96.6	Very high	94.8	Very high	7 Å²	7	33 Å²	33	4%	0.037	17%	0.167	C	C	.	.	S	Bend	trans	-112.1	-162.7	173.1	-76.3	-65	0	0	0	110.4	L499 N502 G503 F504 L524 S525 I529 N551	L499-N527 PolarHBondContact O-ND2 3.19Å; N502-N527 WeakPolarHBondContact CA-OD1 3.19Å; N502-N527 WeakPolarHBondContact CB-OD1 3.38Å; N502-N527 PolarHBondContact N-OD1 3.41Å; G503-N527 PolarHBondContact N-OD1 3.18Å; F504-N527 HydrophobicContact CB-CB 4.09Å; F504-N527 WeakPolarHBondContact CB-OD1 3.47Å; F504-N527 PolarHBondContact N-OD1 3.08Å; L524-N527 PolarHBondContact O-ND2 3.05Å; S525-N527 VanDerWaalsContact C-N 3.29Å; S525-N527 PolarHBondContact O-N 2.85Å; S525-N527 PolarHBondContact O-ND2 3.46Å; N527-I529 HydrophobicContact CB-CD1 4.42Å; N527-I529 HydrophobicContact CB-CG1 4.16Å; N527-N551 VanDerWaalsContact CA-OD1 3.26Å; N527-N551 WeakPolarHBondContact CA-OD1 3.29Å; N527-N551 WeakPolarHBondContact CB-OD1 3.27Å; N527-N551 PolarHBondContact N-OD1 3.2Å; N527-N551 PolarHBondContact O-OD1 3.29Å
528	K	94.9	Very high	95	Very high	93 Å²	93	32.9 Å²	32.9	40%	0.404	16%	0.16	S	C	.	.			trans	-128.2	52.8	175.6	-59.3	178.6	-177.5	173.6	0	108.5	F504 S505 D530 N551 H553 Y554	F504-K528 CarbonylContact O-C 3.46Å; F504-K528 WeakPolarHBondContact O-CA 3.29Å; F504-K528 PolarHBondContact O-N 3.39Å; S505-K528 WeakPolarHBondContact CA-O 3.25Å; K528-D530 PolarHBondContact O-N 3.48Å; K528-N551 PolarHBondContact N-OD1 3.35Å; K528-H553 HydrophobicContact CB-CB 3.91Å; K528-H553 HydrophobicContact CD-CB 4.3Å; K528-H553 HydrophobicContact CG-CB 3.79Å; K528-Y554 HydrophobicContact CB-CE2 4.25Å; K528-Y554 WeakPolarHBondContact O-CD2 3.24Å; K528-Y554 WeakPolarHBondContact O-CE2 3.4Å
529	I	93.3	Very high	95.1	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	16%	0.156	C	C	.	.			trans	-69.2	133.5	-173.7	-67.5	169.3	0	0	0	111.4	F504 P508 L524 N527 L531 L548 N551	F504-I529 HydrophobicContact CD1-CD1 4.22Å; F504-I529 HydrophobicContact CD1-CG1 3.77Å; F504-I529 HydrophobicContact CE1-CG1 4.23Å; P508-I529 HydrophobicContact CG-CG2 4.22Å; L524-I529 HydrophobicContact CB-CD1 3.56Å; L524-I529 HydrophobicContact CD1-CD1 3.8Å; L524-I529 HydrophobicContact CD2-CD1 4.11Å; L524-I529 HydrophobicContact CG-CD1 4.03Å; N527-I529 HydrophobicContact CB-CD1 4.42Å; N527-I529 HydrophobicContact CB-CG1 4.16Å; I529-L531 HydrophobicContact CG2-CD2 3.82Å; I529-L531 HydrophobicContact CG2-CG 4.17Å; I529-L548 HydrophobicContact CD1-CD2 3.76Å; I529-N551 WeakPolarHBondContact CG1-OD1 3.04Å; I529-N551 PolarHBondContact N-OD1 2.8Å
530	D	93.4	Very high	95	Very high	29 Å²	29	32.2 Å²	32.2	16%	0.155	16%	0.156	C	C	.	.			trans	-100.8	107.3	173	-175.9	10.6	0	0	0	110.7	A507 P508 K528 A532 Y554	A507-D530 VanDerWaalsContact CA-O 3.23Å; A507-D530 WeakPolarHBondContact CA-O 3.4Å; A507-D530 HydrophobicContact CB-CB 4Å; A507-D530 WeakPolarHBondContact CB-O 2.99Å; P508-D530 WeakPolarHBondContact CD-O 3.2Å; K528-D530 PolarHBondContact O-N 3.48Å; D530-A532 VanDerWaalsContact C-N 3.25Å; D530-A532 PolarHBondContact O-N 3.14Å; D530-Y554 HydrophobicContact CB-CD1 4.33Å; D530-Y554 HydrophobicContact CB-CD2 3.71Å; D530-Y554 HydrophobicContact CB-CE1 4.41Å; D530-Y554 HydrophobicContact CB-CE2 3.81Å; D530-Y554 HydrophobicContact CB-CG 3.99Å
531	L	93.4	Very high	95	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	17%	0.171	C	C	.	.			trans	-85.3	63	-179.7	-64	175.3	0	0	0	111.3	I529 F537 L548 F555 N563 L564 F566 M578	I529-L531 HydrophobicContact CG2-CD2 3.82Å; I529-L531 HydrophobicContact CG2-CG 4.17Å; L531-F537 HydrophobicContact CD2-CE2 4.09Å; L531-L548 HydrophobicContact CD1-CD1 4.37Å; L531-F555 HydrophobicContact CD1-CZ 4.01Å; L531-N563 WeakPolarHBondContact O-CB 3.29Å; L531-N563 PolarHBondContact O-N 3.29Å; L531-L564 HydrophobicContact CD1-CD2 3.65Å; L531-F566 HydrophobicContact CD1-CE1 4.14Å; L531-F566 HydrophobicContact CD2-CE1 4.21Å; L531-M578 HydrophobicContact CD1-CE 4.18Å
532	A	92.4	Very high	95	Very high	25 Å²	25	40.6 Å²	40.6	21%	0.207	19%	0.19	C	C	.	.			trans	-81.8	-33.8	-177.8	0	0	0	0	0	113.6	A507 D530	A507-A532 HydrophobicContact CB-CB 4.14Å; D530-A532 VanDerWaalsContact C-N 3.25Å; D530-A532 PolarHBondContact O-N 3.14Å
533	Y	92.7	Very high	95	Very high	123 Å²	123	40.6 Å²	40.6	48%	0.482	19%	0.19	S	C	.	.			trans	-106.4	143	-168.7	-56.1	-69.2	0	0	0	114.4	A507 N509 N535 A536	A507-Y533 HydrophobicContact CB-CD2 3.98Å; A507-Y533 HydrophobicContact CB-CE2 3.68Å; N509-Y533 HydrophobicContact CB-CD2 4.05Å; N509-Y533 HydrophobicContact CB-CE2 4.4Å; Y533-N535 VanDerWaalsContact C-N 3.26Å; Y533-N535 WeakPolarHBondContact CB-OD1 3.41Å; Y533-N535 PolarHBondContact O-N 2.91Å; Y533-A536 PolarHBondContact O-N 3.05Å
534	D	91.9	Very high	95	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.1	175	-73.2	-38.8	0	0	0	113.1	A536 N563 N565 F566 N569	D534-A536 VanDerWaalsContact C-N 3.34Å; D534-N563 PolarHBondContact OD1-ND2 2.92Å; D534-N563 PolarHBondContact OD1-OD1 3.08Å; D534-N565 WeakPolarHBondContact OD1-CB 3.22Å; D534-N565 PolarHBondContact OD1-ND2 2.82Å; D534-F566 WeakPolarHBondContact O-CA 3.35Å; D534-F566 WeakPolarHBondContact O-CB 3.15Å; D534-N569 PolarHBondContact O-ND2 3.01Å
535	N	93.7	Very high	95	Very high	54 Å²	54	44.2 Å²	44.2	29%	0.289	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.7	-174.6	63.9	-10	0	0	0	113.7	N509 G510 Y533 F537 Q538	N509-N535 WeakPolarHBondContact CA-OD1 3.48Å; N509-N535 PolarHBondContact O-ND2 3.03Å; N509-N535 PolarHBondContact O-OD1 2.96Å; N509-N535 VanDerWaalsContact O-OD1 3.13Å; G510-N535 WeakPolarHBondContact CA-O 3.41Å; Y533-N535 VanDerWaalsContact C-N 3.26Å; Y533-N535 WeakPolarHBondContact CB-OD1 3.41Å; Y533-N535 PolarHBondContact O-N 2.91Å; N535-F537 PolarHBondContact O-N 2.85Å; N535-Q538 HydrophobicContact CB-CG 4.43Å; N535-Q538 VanDerWaalsContact O-CB 3.29Å; N535-Q538 WeakPolarHBondContact O-CB 3.3Å; N535-Q538 VanDerWaalsContact O-CG 3.27Å; N535-Q538 WeakPolarHBondContact O-CG 3.23Å; N535-Q538 PolarHBondContact O-N 3.4Å; N535-Q538 VanDerWaalsContact O-N 3.13Å
536	A	94.4	Very high	95.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	132.3	175.5	0	0	0	0	0	111.4	P508 Y533 D534 Q538 F566	P508-A536 HydrophobicContact CB-CB 4.31Å; P508-A536 HydrophobicContact CG-CB 4.01Å; P508-A536 WeakPolarHBondContact O-CA 3.43Å; P508-A536 WeakPolarHBondContact O-CB 3.18Å; Y533-A536 PolarHBondContact O-N 3.05Å; D534-A536 VanDerWaalsContact C-N 3.34Å; A536-Q538 PolarHBondContact O-N 2.81Å; A536-Q538 VanDerWaalsContact O-N 3.07Å; A536-F566 HydrophobicContact CB-CB 3.95Å; A536-F566 HydrophobicContact CB-CG 4.24Å; A536-F566 WeakPolarHBondContact O-CB 3.13Å
537	F	95.6	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	11.7	178.3	-44.1	-68.4	0	0	0	115.9	P508 F513 L522 L524 L531 N535 E539 L540 L546 L548 F566 L570	P508-F537 HydrophobicContact CB-CE1 4.25Å; P508-F537 HydrophobicContact CB-CZ 4.33Å; P508-F537 HydrophobicContact CG-CE1 4.23Å; P508-F537 HydrophobicContact CG-CE2 4.22Å; P508-F537 HydrophobicContact CG-CZ 3.81Å; F513-F537 HydrophobicContact CD2-CD1 4.37Å; F513-F537 HydrophobicContact CE2-CD1 4.1Å; F513-F537 HydrophobicContact CE2-CE1 4.03Å; L522-F537 HydrophobicContact CD2-CD1 4.24Å; L522-F537 HydrophobicContact CD2-CE1 4.29Å; L524-F537 HydrophobicContact CD1-CE1 3.56Å; L524-F537 HydrophobicContact CD1-CZ 3.83Å; L531-F537 HydrophobicContact CD2-CE2 4.09Å; N535-F537 PolarHBondContact O-N 2.85Å; F537-E539 WeakPolarHBondContact CA-OE2 3.29Å; F537-E539 PolarHBondContact O-N 2.68Å; F537-E539 VanDerWaalsContact O-N 3.11Å; F537-L540 HydrophobicContact CB-CD1 4.22Å; F537-L540 HydrophobicContact CD1-CD1 4.26Å; F537-L540 WeakPolarHBondContact O-CB 3.33Å; F537-L540 PolarHBondContact O-N 3.38Å; F537-L546 HydrophobicContact CD2-CD2 4.26Å; F537-L546 HydrophobicContact CE2-CD2 4.38Å; F537-L548 HydrophobicContact CE2-CD2 4.46Å; F537-L548 HydrophobicContact CZ-CD2 4.15Å; F537-F566 AromaticContact CD2-CD2 3.73Å; F537-F566 HydrophobicContact CD2-CD2 3.73Å; F537-F566 AromaticContact CD2-CE2 3.77Å; F537-F566 HydrophobicContact CD2-CE2 3.77Å; F537-F566 HydrophobicContact CD2-CG 4.44Å; F537-F566 HydrophobicContact CE2-CD2 4.43Å; F537-F566 HydrophobicContact CE2-CE2 4.19Å; F537-L570 HydrophobicContact CB-CD2 4.2Å; F537-L570 WeakPolarHBondContact O-CD2 2.94Å
538	Q	95.4	Very high	95.2	Very high	70 Å²	70	39.2 Å²	39.2	33%	0.327	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.1	-176.2	71	179.1	-16.5	0	0	113.9	N535 A536 L540 K541 N569	N535-Q538 HydrophobicContact CB-CG 4.43Å; N535-Q538 VanDerWaalsContact O-CB 3.29Å; N535-Q538 WeakPolarHBondContact O-CB 3.3Å; N535-Q538 VanDerWaalsContact O-CG 3.27Å; N535-Q538 WeakPolarHBondContact O-CG 3.23Å; N535-Q538 PolarHBondContact O-N 3.4Å; N535-Q538 VanDerWaalsContact O-N 3.13Å; A536-Q538 PolarHBondContact O-N 2.81Å; A536-Q538 VanDerWaalsContact O-N 3.07Å; Q538-L540 PolarHBondContact O-N 2.94Å; Q538-K541 WeakPolarHBondContact O-CD 3.21Å; Q538-K541 WeakPolarHBondContact O-CE 3.39Å; Q538-K541 PolarHBondContact O-NZ 3.2Å; Q538-N569 HydrophobicContact CB-CB 3.89Å
539	E	95.1	Very high	95.3	Very high	33 Å²	33	35.2 Å²	35.2	15%	0.154	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.5	178.5	73.2	-81.5	-147.7	0	0	112.6	G510 E512 F513 F537 K541	G510-E539 WeakPolarHBondContact CA-OE2 3.41Å; E512-E539 PolarHBondContact N-OE1 3.4Å; F513-E539 HydrophobicContact CB-CG 4.16Å; F513-E539 WeakPolarHBondContact CB-OE1 3.15Å; F513-E539 WeakPolarHBondContact CD2-OE1 3.31Å; F513-E539 PolarHBondContact N-OE1 3.23Å; F537-E539 WeakPolarHBondContact CA-OE2 3.29Å; F537-E539 PolarHBondContact O-N 2.68Å; F537-E539 VanDerWaalsContact O-N 3.11Å; E539-K541 VanDerWaalsContact C-N 3.34Å; E539-K541 PolarHBondContact O-N 2.76Å
540	L	96.6	Very high	95.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.188	C	C	.	.			trans	-85.8	66.3	-173.8	-59.3	-178.8	0	0	0	112.4	F513 L519 L522 F537 Q538 K542 L543 L570	F513-L540 HydrophobicContact CB-CD1 4.45Å; F513-L540 HydrophobicContact CB-CD2 3.64Å; F513-L540 HydrophobicContact CB-CG 4.27Å; F513-L540 HydrophobicContact CD2-CD1 4.15Å; F513-L540 HydrophobicContact CG-CD1 4.48Å; F513-L540 HydrophobicContact CG-CD2 4.45Å; L519-L540 HydrophobicContact CB-CD2 4.03Å; L519-L540 HydrophobicContact CD2-CD1 4.14Å; L519-L540 HydrophobicContact CD2-CD2 3.91Å; L522-L540 HydrophobicContact CD2-CD1 3.61Å; F537-L540 HydrophobicContact CB-CD1 4.22Å; F537-L540 HydrophobicContact CD1-CD1 4.26Å; F537-L540 WeakPolarHBondContact O-CB 3.33Å; F537-L540 PolarHBondContact O-N 3.38Å; Q538-L540 PolarHBondContact O-N 2.94Å; L540-K542 PolarHBondContact O-N 3.19Å; L540-L543 HydrophobicContact CB-CB 3.99Å; L540-L543 HydrophobicContact CB-CD2 4.31Å; L540-L543 HydrophobicContact CD1-CD1 4.41Å; L540-L543 HydrophobicContact CD1-CD2 4Å; L540-L543 WeakPolarHBondContact O-CB 3.32Å; L540-L543 PolarHBondContact O-N 3.21Å; L540-L570 HydrophobicContact CB-CD2 4.36Å
541	K	95.6	Very high	95.7	Very high	110 Å²	110	39.2 Å²	39.2	48%	0.478	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20	-174.3	-60.3	-51	-171.2	-164.7	0	115.1	Q538 E539 N569	Q538-K541 WeakPolarHBondContact O-CD 3.21Å; Q538-K541 WeakPolarHBondContact O-CE 3.39Å; Q538-K541 PolarHBondContact O-NZ 3.2Å; E539-K541 VanDerWaalsContact C-N 3.34Å; E539-K541 PolarHBondContact O-N 2.76Å; K541-N569 PolarHBondContact NZ-O 2.96Å
542	K	96.8	Very high	95.8	Very high	102 Å²	102	39.8 Å²	39.8	44%	0.443	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	9.6	-179.9	-65.8	-171.9	-177.2	172.5	0	114.2	N518 L519 T520 L540 E544 I572	N518-K542 PolarHBondContact OD1-NZ 3.04Å; L519-K542 CarbonylContact O-C 3.22Å; L519-K542 VanDerWaalsContact O-C 3.23Å; T520-K542 WeakPolarHBondContact CA-O 3.27Å; L540-K542 PolarHBondContact O-N 3.19Å; K542-E544 PolarHBondContact O-N 2.97Å; K542-I572 HydrophobicContact CB-CD1 4.37Å
543	L	97.6	Very high	95.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.197	C	C	.	.			trans	-70.9	120.6	-175.7	-164.4	70	0	0	0	111.5	L519 L522 L540 L546 L570 I572 L573	L519-L543 HydrophobicContact CD2-CD1 4.45Å; L519-L543 HydrophobicContact CG-CD1 4.38Å; L519-L543 WeakPolarHBondContact O-CA 3.1Å; L519-L543 PolarHBondContact O-N 3.39Å; L522-L543 HydrophobicContact CB-CD1 3.74Å; L540-L543 HydrophobicContact CB-CB 3.99Å; L540-L543 HydrophobicContact CB-CD2 4.31Å; L540-L543 HydrophobicContact CD1-CD1 4.41Å; L540-L543 HydrophobicContact CD1-CD2 4Å; L540-L543 WeakPolarHBondContact O-CB 3.32Å; L540-L543 PolarHBondContact O-N 3.21Å; L543-L546 HydrophobicContact CD2-CB 3.97Å; L543-L546 HydrophobicContact CD2-CD1 4.26Å; L543-L546 HydrophobicContact CD2-CD2 4.36Å; L543-L546 HydrophobicContact CD2-CG 4.41Å; L543-L570 HydrophobicContact CD2-CD1 4.44Å; L543-L570 HydrophobicContact CD2-CD2 4.33Å; L543-I572 CarbonylContact O-C 3.48Å; L543-L573 HydrophobicContact CD2-CD1 4.3Å; L543-L573 HydrophobicContact CG-CD1 4.29Å; L543-L573 VanDerWaalsContact O-CA 3.23Å; L543-L573 WeakPolarHBondContact O-CA 3.33Å; L543-L573 PolarHBondContact O-N 2.96Å
544	E	96.8	Very high	96	Very high	72 Å²	72	39.5 Å²	39.5	34%	0.336	18%	0.184	S	C	.	.			trans	-99.9	-34.6	175.4	-68.2	-171	-162.3	0	0	112.4	T520 K542 I572 R574 V575	T520-E544 PolarHBondContact O-N 2.89Å; K542-E544 PolarHBondContact O-N 2.97Å; E544-I572 HydrophobicContact CG-CD1 4.48Å; E544-R574 WeakPolarHBondContact O-CA 3.37Å; E544-R574 PolarHBondContact O-N 2.76Å; E544-R574 IonicContact OE2-CZ 3.39Å; E544-R574 IonicContact OE2-NH1 2.83Å; E544-R574 PolarHBondContact OE2-NH1 2.99Å; E544-R574 IonicContact OE2-NH2 3.36Å; E544-R574 PolarHBondContact OE2-NH2 3.41Å; E544-V575 PolarHBondContact O-N 3.36Å
545	V	97.3	Very high	96.1	Very high	10 Å²	10	35.9 Å²	35.9	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.3	-175.9	-175.5	0	0	0	0	110.4	T520 Y521 L522 V575	T520-V545 PolarHBondContact O-N 2.82Å; Y521-V545 HydrophobicContact CD2-CB 3.59Å; Y521-V545 HydrophobicContact CD2-CG1 3.75Å; Y521-V545 HydrophobicContact CD2-CG2 3.97Å; Y521-V545 HydrophobicContact CE1-CG1 4.5Å; Y521-V545 HydrophobicContact CE2-CB 3.83Å; Y521-V545 HydrophobicContact CE2-CG1 3.42Å; Y521-V545 VanDerWaalsContact CE2-CG1 3.42Å; Y521-V545 HydrophobicContact CE2-CG2 4.26Å; Y521-V545 HydrophobicContact CG-CB 4.12Å; Y521-V545 HydrophobicContact CG-CG1 4.42Å; L522-V545 PolarHBondContact N-O 2.92Å; V545-V575 WeakPolarHBondContact CA-O 3.43Å; V545-V575 HydrophobicContact CB-CB 4.49Å; V545-V575 HydrophobicContact CG1-CB 4.16Å; V545-V575 HydrophobicContact CG1-CG1 4.4Å; V545-V575 HydrophobicContact CG2-CB 4.15Å; V545-V575 HydrophobicContact CG2-CG2 4.28Å
546	L	97.8	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.8	175.6	179.5	57.3	0	0	0	110	L522 L524 F537 L543 L548 F566 L570 L573 V575 L576 N577	L522-L546 HydrophobicContact CB-CD1 4.12Å; L522-L546 HydrophobicContact CD2-CD1 4.03Å; L522-L546 HydrophobicContact CG-CD1 4.07Å; L524-L546 HydrophobicContact CD1-CD1 4.41Å; F537-L546 HydrophobicContact CD2-CD2 4.26Å; F537-L546 HydrophobicContact CE2-CD2 4.38Å; L543-L546 HydrophobicContact CD2-CB 3.97Å; L543-L546 HydrophobicContact CD2-CD1 4.26Å; L543-L546 HydrophobicContact CD2-CD2 4.36Å; L543-L546 HydrophobicContact CD2-CG 4.41Å; L546-L548 HydrophobicContact CD1-CD2 4.17Å; L546-L548 HydrophobicContact CD1-CG 4.22Å; L546-L548 HydrophobicContact CD2-CD1 4.03Å; L546-L548 HydrophobicContact CD2-CG 4.26Å; L546-L548 HydrophobicContact CG-CD1 4.27Å; L546-L548 HydrophobicContact CG-CD2 4.44Å; L546-L548 HydrophobicContact CG-CG 3.97Å; L546-F566 HydrophobicContact CD2-CE2 3.87Å; L546-F566 HydrophobicContact CD2-CZ 4.36Å; L546-L570 HydrophobicContact CD2-CD1 4.24Å; L546-L573 HydrophobicContact CB-CD1 3.77Å; L546-V575 PolarHBondContact N-O 3.19Å; L546-L576 HydrophobicContact CB-CD1 4.13Å; L546-L576 HydrophobicContact CD2-CD1 4.05Å; L546-L576 HydrophobicContact CG-CD1 4.07Å; L546-L576 WeakPolarHBondContact O-CA 3.31Å; L546-N577 PolarHBondContact O-N 2.93Å
547	D	97.5	Very high	96	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.6	175.7	-163.2	-26.4	0	0	0	110.8	K463 L522 L524 S525 S549 N577	K463-D547 IonicContact NZ-OD2 2.61Å; K463-D547 PolarHBondContact NZ-OD2 2.74Å; L522-D547 PolarHBondContact O-N 3.33Å; L524-D547 CarbonylContact C-O 3.56Å; L524-D547 WeakPolarHBondContact CA-O 3.32Å; L524-D547 WeakPolarHBondContact CB-O 3.36Å; L524-D547 PolarHBondContact N-O 3.41Å; S525-D547 PolarHBondContact N-O 3.07Å; D547-S549 WeakPolarHBondContact OD1-CB 3.3Å; D547-S549 PolarHBondContact OD1-N 3.1Å; D547-S549 PolarHBondContact OD1-OG 3.15Å; D547-N577 HydrophobicContact CB-CB 4.41Å; D547-N577 PolarHBondContact OD1-ND2 3.47Å; D547-N577 PolarHBondContact OD2-ND2 3.38Å
548	L	96.9	Very high	95.6	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	24%	0.242	C	C	.	.			trans	-110.7	19.7	175.5	-63.4	173.7	0	0	0	111.4	L524 I529 L531 F537 L546 N551 F566 L576 N577 M578 N581	L524-L548 HydrophobicContact CB-CD2 4.03Å; L524-L548 HydrophobicContact CD1-CD2 4.11Å; I529-L548 HydrophobicContact CD1-CD2 3.76Å; L531-L548 HydrophobicContact CD1-CD1 4.37Å; F537-L548 HydrophobicContact CE2-CD2 4.46Å; F537-L548 HydrophobicContact CZ-CD2 4.15Å; L546-L548 HydrophobicContact CD1-CD2 4.17Å; L546-L548 HydrophobicContact CD1-CG 4.22Å; L546-L548 HydrophobicContact CD2-CD1 4.03Å; L546-L548 HydrophobicContact CD2-CG 4.26Å; L546-L548 HydrophobicContact CG-CD1 4.27Å; L546-L548 HydrophobicContact CG-CD2 4.44Å; L546-L548 HydrophobicContact CG-CG 3.97Å; L548-N551 VanDerWaalsContact C-ND2 3.35Å; L548-N551 PolarHBondContact O-ND2 3.27Å; L548-F566 HydrophobicContact CD1-CZ 4Å; L548-L576 HydrophobicContact CD1-CD1 4.28Å; L548-N577 CarbonylContact C-O 3.12Å; L548-N577 WeakPolarHBondContact CA-O 3.27Å; L548-N577 PolarHBondContact N-O 3.3Å; L548-M578 HydrophobicContact CB-CG 4.49Å; L548-N581 PolarHBondContact O-ND2 2.7Å; L548-N581 PolarHBondContact O-OD1 3.29Å
549	S	97.4	Very high	95.2	Very high	8 Å²	8	52.9 Å²	52.9	6%	0.056	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	157.6	-178.7	62.3	0	0	0	0	112.7	S525 F526 D547 N551 N577 S579	S525-S549 CarbonylContact C-O 3.33Å; S525-S549 WeakPolarHBondContact CA-O 3.3Å; S525-S549 WeakPolarHBondContact CB-O 3.43Å; S525-S549 WeakPolarHBondContact CB-OG 3.29Å; F526-S549 PolarHBondContact N-O 2.89Å; D547-S549 WeakPolarHBondContact OD1-CB 3.3Å; D547-S549 PolarHBondContact OD1-N 3.1Å; D547-S549 PolarHBondContact OD1-OG 3.15Å; S549-N551 VanDerWaalsContact C-N 3.27Å; S549-N551 PolarHBondContact O-N 3.21Å; S549-N551 PolarHBondContact O-ND2 3.21Å; S549-N577 PolarHBondContact N-O 3.21Å; S549-S579 CarbonylContact C-O 3.59Å; S549-S579 WeakPolarHBondContact CA-O 3.44Å; S549-S579 WeakPolarHBondContact CB-O 3.25Å
550	W	97.3	Very high	95	Very high	114 Å²	114	53.3 Å²	53.3	43%	0.432	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	31.9	177	-64.1	92.4	0	0	0	115.4	F526 S579 H580 N581	F526-W550 WeakPolarHBondContact CA-O 3.39Å; F526-W550 HydrophobicContact CB-CB 4.3Å; F526-W550 HydrophobicContact CD1-CB 3.62Å; F526-W550 HydrophobicContact CD1-CD2 4Å; F526-W550 HydrophobicContact CD1-CE3 4.26Å; F526-W550 AromaticContact CD1-CG 3.75Å; F526-W550 HydrophobicContact CD1-CG 3.75Å; F526-W550 HydrophobicContact CD2-CB 4.07Å; F526-W550 HydrophobicContact CD2-CG 4.17Å; F526-W550 HydrophobicContact CE1-CB 3.86Å; F526-W550 AromaticContact CE1-CD1 3.85Å; F526-W550 AromaticContact CE1-CD2 3.36Å; F526-W550 HydrophobicContact CE1-CD2 3.36Å; F526-W550 AromaticContact CE1-CE2 3.77Å; F526-W550 AromaticContact CE1-CE3 3.74Å; F526-W550 HydrophobicContact CE1-CE3 3.74Å; F526-W550 AromaticContact CE1-CG 3.43Å; F526-W550 HydrophobicContact CE1-CG 3.43Å; F526-W550 VanDerWaalsContact CE1-CG 3.43Å; F526-W550 HydrophobicContact CE1-CZ2 4.44Å; F526-W550 HydrophobicContact CE1-CZ3 4.42Å; F526-W550 HydrophobicContact CE2-CB 4.28Å; F526-W550 AromaticContact CE2-CD1 3.57Å; F526-W550 HydrophobicContact CE2-CD2 4.48Å; F526-W550 AromaticContact CE2-CG 3.88Å; F526-W550 HydrophobicContact CE2-CG 3.88Å; F526-W550 HydrophobicContact CG-CB 3.72Å; F526-W550 HydrophobicContact CG-CG 4.11Å; F526-W550 HydrophobicContact CZ-CB 4.18Å; F526-W550 AromaticContact CZ-CD1 3.39Å; F526-W550 AromaticContact CZ-CD2 3.64Å; F526-W550 HydrophobicContact CZ-CD2 3.64Å; F526-W550 AromaticContact CZ-CE2 3.63Å; F526-W550 HydrophobicContact CZ-CE3 4.44Å; F526-W550 AromaticContact CZ-CG 3.5Å; F526-W550 HydrophobicContact CZ-CG 3.5Å; F526-W550 HydrophobicContact CZ-CZ2 4.39Å; F526-W550 AromaticContact CZ-NE1 3.47Å; W550-S579 PolarHBondContact N-O 3.21Å; W550-H580 HydrophobicContact CD2-CB 3.49Å; W550-H580 VanDerWaalsContact CD2-CB 3.49Å; W550-H580 AromaticContact CD2-CG 3.87Å; W550-H580 AromaticContact CE2-CD2 3.62Å; W550-H580 AromaticContact CE2-CG 3.34Å; W550-H580 AromaticContact CE2-ND1 3.66Å; W550-H580 HydrophobicContact CE3-CB 3.98Å; W550-H580 HydrophobicContact CG-CB 3.75Å; W550-H580 HydrophobicContact CH2-CB 4.48Å; W550-H580 AromaticContact CH2-ND1 3.58Å; W550-H580 HydrophobicContact CZ2-CB 4.06Å; W550-H580 AromaticContact CZ2-CD2 3.82Å; W550-H580 AromaticContact CZ2-CE1 3.47Å; W550-H580 VanDerWaalsContact CZ2-CE1 3.47Å; W550-H580 WeakPolarHBondContact CZ2-CE1 3.23Å; W550-H580 AromaticContact CZ2-CG 3.48Å; W550-H580 VanDerWaalsContact CZ2-CG 3.48Å; W550-H580 AromaticContact CZ2-ND1 3.25Å; W550-H580 VanDerWaalsContact CZ2-ND1 3.25Å; W550-H580 WeakPolarHBondContact CZ2-ND1 3.24Å; W550-H580 AromaticContact CZ2-NE2 3.81Å; W550-H580 HydrophobicContact CZ3-CB 4.44Å; W550-H580 AromaticContact NE1-CD2 3.38Å; W550-H580 PolarHBondContact NE1-CD2 2.83Å; W550-H580 AromaticContact NE1-CG 3.54Å; W550-N581 PolarHBondContact N-OD1 3.43Å
551	N	96.8	Very high	94.6	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.011	29%	0.288	C	S	.	.			trans	-102.9	33.4	173	-78.2	-81.1	0	0	0	112.9	L524 N527 K528 I529 L548 S549 H553 F555 N581	L524-N551 PolarHBondContact O-ND2 3.18Å; N527-N551 VanDerWaalsContact CA-OD1 3.26Å; N527-N551 WeakPolarHBondContact CA-OD1 3.29Å; N527-N551 WeakPolarHBondContact CB-OD1 3.27Å; N527-N551 PolarHBondContact N-OD1 3.2Å; N527-N551 PolarHBondContact O-OD1 3.29Å; K528-N551 PolarHBondContact N-OD1 3.35Å; I529-N551 WeakPolarHBondContact CG1-OD1 3.04Å; I529-N551 PolarHBondContact N-OD1 2.8Å; L548-N551 VanDerWaalsContact C-ND2 3.35Å; L548-N551 PolarHBondContact O-ND2 3.27Å; S549-N551 VanDerWaalsContact C-N 3.27Å; S549-N551 PolarHBondContact O-N 3.21Å; S549-N551 PolarHBondContact O-ND2 3.21Å; N551-H553 PolarHBondContact O-N 3.13Å; N551-F555 WeakPolarHBondContact O-CD2 3.07Å; N551-N581 VanDerWaalsContact CA-OD1 3.23Å; N551-N581 WeakPolarHBondContact CA-OD1 3.21Å; N551-N581 WeakPolarHBondContact CB-OD1 3.37Å; N551-N581 PolarHBondContact N-OD1 3.2Å
552	A	96	Very high	94.4	Very high	17 Å²	17	51.7 Å²	51.7	14%	0.14	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-6.6	-171.3	0	0	0	0	0	116.4	K556 N581	A552-K556 HydrophobicContact CB-CD 4.43Å; A552-K556 VanDerWaalsContact O-CG 3.3Å; A552-K556 WeakPolarHBondContact O-CG 3.41Å; A552-K556 PolarHBondContact O-N 2.82Å; A552-N581 VanDerWaalsContact CA-O 3.29Å; A552-N581 WeakPolarHBondContact CA-O 3.16Å; A552-N581 VanDerWaalsContact CB-O 3.31Å; A552-N581 WeakPolarHBondContact CB-O 3.36Å
553	H	95.3	Very high	94.1	Very high	91 Å²	91	47.9 Å²	47.9	42%	0.421	25%	0.25	S	C	.	.	H	α-helix	trans	-59.2	-57.3	-171.7	-179.2	67	0	0	0	112.7	K528 N551	K528-H553 HydrophobicContact CB-CB 3.91Å; K528-H553 HydrophobicContact CD-CB 4.3Å; K528-H553 HydrophobicContact CG-CB 3.79Å; N551-H553 PolarHBondContact O-N 3.13Å
554	Y	94.1	Very high	93.9	Very high	52 Å²	52	47.9 Å²	47.9	20%	0.204	25%	0.25	C	C	.	.	H	α-helix	trans	-74.2	-33.5	-179.1	-74.6	-73.7	0	0	0	112.3	S505 K528 D530 K556 S557 V560 H562	S505-Y554 PolarHBondContact O-OH 3.42Å; K528-Y554 HydrophobicContact CB-CE2 4.25Å; K528-Y554 WeakPolarHBondContact O-CD2 3.24Å; K528-Y554 WeakPolarHBondContact O-CE2 3.4Å; D530-Y554 HydrophobicContact CB-CD1 4.33Å; D530-Y554 HydrophobicContact CB-CD2 3.71Å; D530-Y554 HydrophobicContact CB-CE1 4.41Å; D530-Y554 HydrophobicContact CB-CE2 3.81Å; D530-Y554 HydrophobicContact CB-CG 3.99Å; Y554-K556 PolarHBondContact O-N 3.03Å; Y554-S557 WeakPolarHBondContact O-CB 3.34Å; Y554-S557 PolarHBondContact O-N 3.23Å; Y554-V560 HydrophobicContact CD1-CG1 4.27Å; Y554-H562 VanDerWaalsContact C-CE1 3.46Å; Y554-H562 PolarHBondContact O-CE1 3.19Å; Y554-H562 PolarHBondContact O-NE2 3.45Å
555	F	94.4	Very high	93.7	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-22.5	176.3	-69.3	-66.7	0	0	0	114.6	L531 N551 H562 M578 N581 I583 L586	L531-F555 HydrophobicContact CD1-CZ 4.01Å; N551-F555 WeakPolarHBondContact O-CD2 3.07Å; F555-H562 HydrophobicContact CD1-CB 4.31Å; F555-H562 AromaticContact CD1-CD2 3.8Å; F555-H562 AromaticContact CD1-CG 3.75Å; F555-H562 AromaticContact CD1-ND1 3.98Å; F555-H562 HydrophobicContact CE1-CB 4.01Å; F555-H562 AromaticContact CE1-CG 3.91Å; F555-M578 HydrophobicContact CZ-CE 4.04Å; F555-N581 VanDerWaalsContact CB-O 3.27Å; F555-N581 WeakPolarHBondContact CB-O 3.41Å; F555-N581 HydrophobicContact CD2-CB 3.73Å; F555-N581 HydrophobicContact CE2-CB 3.87Å; F555-N581 HydrophobicContact CG-CB 4.49Å; F555-I583 HydrophobicContact CB-CG1 4.43Å; F555-I583 HydrophobicContact CD1-CD1 4.5Å; F555-I583 HydrophobicContact CD1-CG1 3.7Å; F555-I583 HydrophobicContact CD1-CG2 4.47Å; F555-I583 HydrophobicContact CD2-CG1 4.15Å; F555-I583 HydrophobicContact CE1-CD1 4.14Å; F555-I583 HydrophobicContact CE1-CG1 3.84Å; F555-I583 HydrophobicContact CE2-CD1 4.46Å; F555-I583 HydrophobicContact CE2-CG1 4.29Å; F555-I583 HydrophobicContact CG-CG1 3.85Å; F555-I583 HydrophobicContact CZ-CD1 4.11Å; F555-I583 HydrophobicContact CZ-CG1 4.13Å; F555-L586 HydrophobicContact CE1-CD2 4.06Å
556	K	93.4	Very high	93.5	Very high	145 Å²	145	46 Å²	46	63%	0.63	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-18.1	174.6	-73.4	175.6	179	-179.7	0	113.1	A552 Y554 S582	A552-K556 HydrophobicContact CB-CD 4.43Å; A552-K556 VanDerWaalsContact O-CG 3.3Å; A552-K556 WeakPolarHBondContact O-CG 3.41Å; A552-K556 PolarHBondContact O-N 2.82Å; Y554-K556 PolarHBondContact O-N 3.03Å; K556-S582 VanDerWaalsContact CE-OG 3.23Å; K556-S582 WeakPolarHBondContact CE-OG 3.42Å
557	S	91.9	Very high	93.4	Very high	49 Å²	49	46.1 Å²	46.1	34%	0.343	24%	0.242	S	C	.	.	S	Bend	trans	-79.4	127.2	-176.4	-72.7	0	0	0	0	110.7	Y554	Y554-S557 WeakPolarHBondContact O-CB 3.34Å; Y554-S557 PolarHBondContact O-N 3.23Å
558	F	88.8	Confident	93.3	Very high	216 Å²	216	51.4 Å²	51.4	95%	0.947	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	139.4	177.3	-174.2	-96	0	0	0	111.4	V560	F558-V560 VanDerWaalsContact C-N 3.31Å; F558-V560 PolarHBondContact O-N 3.46Å
559	G	86.3	Confident	93.1	Very high	72 Å²	72	53.7 Å²	53.7	74%	0.742	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	4.6	175.6	0	0	0	0	0	115.6
560	V	90.9	Very high	93.1	Very high	42 Å²	42	53.4 Å²	53.4	26%	0.255	28%	0.275	S	S	.	.			trans	-84.7	137.6	175.2	-177.2	0	0	0	0	110	Y554 F558	Y554-V560 HydrophobicContact CD1-CG1 4.27Å; F558-V560 VanDerWaalsContact C-N 3.31Å; F558-V560 PolarHBondContact O-N 3.46Å
561	T	88.2	Confident	93	Very high	75 Å²	75	51.6 Å²	51.6	46%	0.46	28%	0.278	S	S	.	.			trans	-78	132	176.1	49.5	0	0	0	0	110.8	T587	T561-T587 WeakPolarHBondContact CA-OG1 3.36Å
562	H	90.3	Very high	93	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	30%	0.297	C	S	.	.			trans	-124	103.7	177.5	-55.6	-43	0	0	0	109.6	Y554 F555 L586 T587 T588	Y554-H562 VanDerWaalsContact C-CE1 3.46Å; Y554-H562 PolarHBondContact O-CE1 3.19Å; Y554-H562 PolarHBondContact O-NE2 3.45Å; F555-H562 HydrophobicContact CD1-CB 4.31Å; F555-H562 AromaticContact CD1-CD2 3.8Å; F555-H562 AromaticContact CD1-CG 3.75Å; F555-H562 AromaticContact CD1-ND1 3.98Å; F555-H562 HydrophobicContact CE1-CB 4.01Å; F555-H562 AromaticContact CE1-CG 3.91Å; H562-L586 HydrophobicContact CB-CD2 3.76Å; H562-T587 PolarHBondContact N-OG1 2.99Å; H562-T587 WeakPolarHBondContact O-CB 3.28Å; H562-T587 PolarHBondContact O-N 3.24Å; H562-T588 PolarHBondContact O-N 2.92Å
563	N	90.6	Very high	93.1	Very high	22 Å²	22	54.5 Å²	54.5	12%	0.118	29%	0.291	C	S	.	.			trans	-112.1	112.3	-170.8	-165.2	-13.9	0	0	0	111.7	L531 D534 N565 T588	L531-N563 WeakPolarHBondContact O-CB 3.29Å; L531-N563 PolarHBondContact O-N 3.29Å; D534-N563 PolarHBondContact OD1-ND2 2.92Å; D534-N563 PolarHBondContact OD1-OD1 3.08Å; N563-N565 VanDerWaalsContact OD1-CB 3.23Å; N563-N565 WeakPolarHBondContact OD1-CB 3.5Å; N563-N565 VanDerWaalsContact OD1-CG 3.27Å; N563-N565 PolarHBondContact OD1-N 2.78Å; N563-N565 PolarHBondContact OD1-ND2 3.47Å; N563-N565 VanDerWaalsContact OD1-ND2 3.13Å; N563-T588 WeakPolarHBondContact CA-OG1 3.44Å; N563-T588 PolarHBondContact OD1-OG1 3.21Å
564	L	93.9	Very high	93.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.291	C	S	.	.			trans	-99.8	9.6	179.7	-51.8	-174.3	0	0	0	113	L531 F566 L567 M578 L586 T588 M591	L531-L564 HydrophobicContact CD1-CD2 3.65Å; L564-F566 HydrophobicContact CD2-CE1 4.08Å; L564-F566 PolarHBondContact O-N 2.97Å; L564-L567 WeakPolarHBondContact O-CG 3.38Å; L564-L567 PolarHBondContact O-N 3.43Å; L564-M578 HydrophobicContact CD1-CE 4.32Å; L564-M578 HydrophobicContact CD1-SD 4.38Å; L564-M578 HydrophobicContact CD2-CE 3.71Å; L564-M578 HydrophobicContact CD2-SD 4.4Å; L564-L586 HydrophobicContact CD1-CD1 3.81Å; L564-L586 HydrophobicContact CD1-CD2 4.06Å; L564-L586 HydrophobicContact CG-CD2 4.31Å; L564-T588 HydrophobicContact CB-CG2 4.21Å; L564-T588 PolarHBondContact N-OG1 3.15Å; L564-M591 HydrophobicContact CB-CG 4.28Å; L564-M591 HydrophobicContact CD1-CE 4Å; L564-M591 HydrophobicContact CD1-CG 4.15Å; L564-M591 HydrophobicContact CD1-SD 3.89Å
565	N	92.3	Very high	93.3	Very high	43 Å²	43	54 Å²	54	23%	0.23	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-67.8	-15.7	177.4	-71.9	-31.3	0	0	0	113.3	D534 N563 L567 K568	D534-N565 WeakPolarHBondContact OD1-CB 3.22Å; D534-N565 PolarHBondContact OD1-ND2 2.82Å; N563-N565 VanDerWaalsContact OD1-CB 3.23Å; N563-N565 WeakPolarHBondContact OD1-CB 3.5Å; N563-N565 VanDerWaalsContact OD1-CG 3.27Å; N563-N565 PolarHBondContact OD1-N 2.78Å; N563-N565 PolarHBondContact OD1-ND2 3.47Å; N563-N565 VanDerWaalsContact OD1-ND2 3.13Å; N565-L567 PolarHBondContact O-N 3.26Å; N565-K568 WeakPolarHBondContact O-CB 3.27Å; N565-K568 WeakPolarHBondContact O-CG 3.29Å; N565-K568 PolarHBondContact O-N 3.45Å
566	F	94.4	Very high	93.5	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.9	-23.4	176.5	78.3	-93	0	0	0	113.4	L531 D534 A536 F537 L546 L548 L564 K568 N569 L570	L531-F566 HydrophobicContact CD1-CE1 4.14Å; L531-F566 HydrophobicContact CD2-CE1 4.21Å; D534-F566 WeakPolarHBondContact O-CA 3.35Å; D534-F566 WeakPolarHBondContact O-CB 3.15Å; A536-F566 HydrophobicContact CB-CB 3.95Å; A536-F566 HydrophobicContact CB-CG 4.24Å; A536-F566 WeakPolarHBondContact O-CB 3.13Å; F537-F566 AromaticContact CD2-CD2 3.73Å; F537-F566 HydrophobicContact CD2-CD2 3.73Å; F537-F566 AromaticContact CD2-CE2 3.77Å; F537-F566 HydrophobicContact CD2-CE2 3.77Å; F537-F566 HydrophobicContact CD2-CG 4.44Å; F537-F566 HydrophobicContact CE2-CD2 4.43Å; F537-F566 HydrophobicContact CE2-CE2 4.19Å; L546-F566 HydrophobicContact CD2-CE2 3.87Å; L546-F566 HydrophobicContact CD2-CZ 4.36Å; L548-F566 HydrophobicContact CD1-CZ 4Å; L564-F566 HydrophobicContact CD2-CE1 4.08Å; L564-F566 PolarHBondContact O-N 2.97Å; F566-K568 PolarHBondContact O-N 2.91Å; F566-K568 VanDerWaalsContact O-N 3.13Å; F566-N569 WeakPolarHBondContact O-CB 3.21Å; F566-N569 PolarHBondContact O-N 2.84Å; F566-L570 HydrophobicContact CD2-CD1 3.97Å; F566-L570 HydrophobicContact CE2-CD1 3.92Å
567	L	95.6	Very high	93.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.8	-25.7	174.4	-64.6	175	0	0	0	113.5	L564 N565 N569 L570 L573 L576 M591 H592	L564-L567 WeakPolarHBondContact O-CG 3.38Å; L564-L567 PolarHBondContact O-N 3.43Å; N565-L567 PolarHBondContact O-N 3.26Å; L567-N569 PolarHBondContact O-N 3.17Å; L567-L570 PolarHBondContact O-N 2.8Å; L567-L573 HydrophobicContact CD2-CD2 3.71Å; L567-L576 HydrophobicContact CD1-CD2 4.06Å; L567-L576 HydrophobicContact CD2-CD2 3.73Å; L567-M591 HydrophobicContact CD1-CB 4.41Å; L567-M591 HydrophobicContact CD1-CE 3.37Å; L567-H592 CarbonylContact C-O 3.38Å; L567-H592 WeakPolarHBondContact CB-O 3.42Å
568	K	93.9	Very high	94	Very high	116 Å²	116	45.4 Å²	45.4	50%	0.504	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.3	173.7	-66.3	177.3	-179.6	174.7	0	112.4	N565 F566 H592	N565-K568 WeakPolarHBondContact O-CB 3.27Å; N565-K568 WeakPolarHBondContact O-CG 3.29Å; N565-K568 PolarHBondContact O-N 3.45Å; F566-K568 PolarHBondContact O-N 2.91Å; F566-K568 VanDerWaalsContact O-N 3.13Å; K568-H592 HydrophobicContact CD-CB 4.18Å; K568-H592 VanDerWaalsContact CE-CB 3.4Å; K568-H592 HydrophobicContact CG-CB 3.68Å
569	N	94.3	Very high	94.4	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-88.6	-4.3	-176	-62.2	-39.6	0	0	0	113.5	D534 Q538 K541 F566 L567 P571	D534-N569 PolarHBondContact O-ND2 3.01Å; Q538-N569 HydrophobicContact CB-CB 3.89Å; K541-N569 PolarHBondContact NZ-O 2.96Å; F566-N569 WeakPolarHBondContact O-CB 3.21Å; F566-N569 PolarHBondContact O-N 2.84Å; L567-N569 PolarHBondContact O-N 3.17Å; N569-P571 VanDerWaalsContact O-CD 3.29Å; N569-P571 WeakPolarHBondContact O-CD 3.43Å
570	L	96.6	Very high	95	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.176	C	C	.	.			trans	-109.5	87.2	-177.6	-63.1	176.2	0	0	0	111	F537 L540 L543 L546 F566 L567 I572 L573 S595	F537-L570 HydrophobicContact CB-CD2 4.2Å; F537-L570 WeakPolarHBondContact O-CD2 2.94Å; L540-L570 HydrophobicContact CB-CD2 4.36Å; L543-L570 HydrophobicContact CD2-CD1 4.44Å; L543-L570 HydrophobicContact CD2-CD2 4.33Å; L546-L570 HydrophobicContact CD2-CD1 4.24Å; F566-L570 HydrophobicContact CD2-CD1 3.97Å; F566-L570 HydrophobicContact CE2-CD1 3.92Å; L567-L570 PolarHBondContact O-N 2.8Å; L570-I572 VanDerWaalsContact C-N 3.32Å; L570-I572 PolarHBondContact O-N 3.25Å; L570-L573 HydrophobicContact CB-CB 3.96Å; L570-L573 HydrophobicContact CD1-CD2 3.94Å; L570-S595 PolarHBondContact O-OG 3.24Å
571	P	95.4	Very high	95.3	Very high	77 Å²	77	32.3 Å²	32.3	50%	0.5	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.7	-164.5	28.4	-36.7	0	0	0	114.9	N569 S595	N569-P571 VanDerWaalsContact O-CD 3.29Å; N569-P571 WeakPolarHBondContact O-CD 3.43Å; P571-S595 WeakPolarHBondContact O-CB 3.09Å; P571-S595 PolarHBondContact O-OG 3.23Å
572	I	97.1	Very high	95.7	Very high	80 Å²	80	30.2 Å²	30.2	41%	0.41	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	11.6	-176.1	70.6	171.5	0	0	0	114	K542 L543 E544 L570 R574	K542-I572 HydrophobicContact CB-CD1 4.37Å; L543-I572 CarbonylContact O-C 3.48Å; E544-I572 HydrophobicContact CG-CD1 4.48Å; L570-I572 VanDerWaalsContact C-N 3.32Å; L570-I572 PolarHBondContact O-N 3.25Å; I572-R574 PolarHBondContact O-N 3.15Å; I572-R574 VanDerWaalsContact O-N 3.16Å
573	L	97.7	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.			trans	-58.5	120.2	178	-173.8	73.1	0	0	0	110.5	L543 L546 L567 L570 L576 S595 L596	L543-L573 HydrophobicContact CD2-CD1 4.3Å; L543-L573 HydrophobicContact CG-CD1 4.29Å; L543-L573 VanDerWaalsContact O-CA 3.23Å; L543-L573 WeakPolarHBondContact O-CA 3.33Å; L543-L573 PolarHBondContact O-N 2.96Å; L546-L573 HydrophobicContact CB-CD1 3.77Å; L567-L573 HydrophobicContact CD2-CD2 3.71Å; L570-L573 HydrophobicContact CB-CB 3.96Å; L570-L573 HydrophobicContact CD1-CD2 3.94Å; L573-L576 HydrophobicContact CD2-CB 4.31Å; L573-S595 PolarHBondContact N-OG 3.18Å; L573-S595 CarbonylContact O-C 3.53Å; L573-S595 VanDerWaalsContact O-CB 3.29Å; L573-S595 WeakPolarHBondContact O-CB 3.45Å; L573-S595 PolarHBondContact O-OG 3.07Å; L573-L596 HydrophobicContact CD2-CD1 4.04Å; L573-L596 HydrophobicContact CG-CD1 4.12Å; L573-L596 WeakPolarHBondContact O-CA 3.45Å; L573-L596 PolarHBondContact O-N 3.43Å
574	R	96.6	Very high	96.1	Very high	116 Å²	116	30.9 Å²	30.9	44%	0.438	16%	0.159	S	C	.	.			trans	-100.1	-41.6	-178.9	-173.5	179.1	67	-129.7	-10.5	111.9	E544 I572 A597 E598	E544-R574 WeakPolarHBondContact O-CA 3.37Å; E544-R574 PolarHBondContact O-N 2.76Å; E544-R574 IonicContact OE2-CZ 3.39Å; E544-R574 IonicContact OE2-NH1 2.83Å; E544-R574 PolarHBondContact OE2-NH1 2.99Å; E544-R574 IonicContact OE2-NH2 3.36Å; E544-R574 PolarHBondContact OE2-NH2 3.41Å; I572-R574 PolarHBondContact O-N 3.15Å; I572-R574 VanDerWaalsContact O-N 3.16Å; R574-A597 HydrophobicContact CG-CB 3.78Å; R574-A597 PolarHBondContact O-N 3.01Å; R574-E598 PolarHBondContact O-N 3.03Å
575	V	97.5	Very high	96	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.097	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.9	-174.3	-174.7	0	0	0	0	110.1	E544 V545 L546 E598	E544-V575 PolarHBondContact O-N 3.36Å; V545-V575 WeakPolarHBondContact CA-O 3.43Å; V545-V575 HydrophobicContact CB-CB 4.49Å; V545-V575 HydrophobicContact CG1-CB 4.16Å; V545-V575 HydrophobicContact CG1-CG1 4.4Å; V545-V575 HydrophobicContact CG2-CB 4.15Å; V545-V575 HydrophobicContact CG2-CG2 4.28Å; L546-V575 PolarHBondContact N-O 3.19Å; V575-E598 WeakPolarHBondContact CA-O 3.48Å; V575-E598 HydrophobicContact CG1-CB 4.35Å; V575-E598 HydrophobicContact CG1-CG 4.29Å; V575-E598 HydrophobicContact CG2-CB 4.25Å
576	L	98.1	Very high	96	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.5	172.7	178	63.2	0	0	0	109.4	L546 L548 L567 L573 M578 M591 L596 E598 L599 Q600	L546-L576 HydrophobicContact CB-CD1 4.13Å; L546-L576 HydrophobicContact CD2-CD1 4.05Å; L546-L576 HydrophobicContact CG-CD1 4.07Å; L546-L576 WeakPolarHBondContact O-CA 3.31Å; L548-L576 HydrophobicContact CD1-CD1 4.28Å; L567-L576 HydrophobicContact CD1-CD2 4.06Å; L567-L576 HydrophobicContact CD2-CD2 3.73Å; L573-L576 HydrophobicContact CD2-CB 4.31Å; L576-M578 HydrophobicContact CD1-CG 4.07Å; L576-M578 HydrophobicContact CD2-CG 4.11Å; L576-M578 HydrophobicContact CD2-SD 3.9Å; L576-M578 HydrophobicContact CG-CG 3.88Å; L576-M578 HydrophobicContact CG-SD 4.34Å; L576-M591 HydrophobicContact CD2-CE 4.32Å; L576-L596 HydrophobicContact CB-CD1 3.56Å; L576-L596 HydrophobicContact CB-CD2 4.3Å; L576-L596 HydrophobicContact CD2-CD2 4.46Å; L576-E598 PolarHBondContact N-O 3.32Å; L576-L599 HydrophobicContact CB-CD1 4.15Å; L576-L599 HydrophobicContact CD2-CD1 3.91Å; L576-L599 HydrophobicContact CG-CD1 4.05Å; L576-Q600 PolarHBondContact O-N 3.48Å
577	N	98.2	Very high	95.9	Very high	19 Å²	19	36 Å²	36	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	117.2	172.1	-173.8	5.3	0	0	0	110.3	L546 D547 L548 S549 S579 Q600	L546-N577 PolarHBondContact O-N 2.93Å; D547-N577 HydrophobicContact CB-CB 4.41Å; D547-N577 PolarHBondContact OD1-ND2 3.47Å; D547-N577 PolarHBondContact OD2-ND2 3.38Å; L548-N577 CarbonylContact C-O 3.12Å; L548-N577 WeakPolarHBondContact CA-O 3.27Å; L548-N577 PolarHBondContact N-O 3.3Å; S549-N577 PolarHBondContact N-O 3.21Å; N577-S579 WeakPolarHBondContact OD1-CB 3.5Å; N577-S579 PolarHBondContact OD1-N 2.59Å; N577-S579 PolarHBondContact OD1-OG 2.8Å; N577-Q600 HydrophobicContact CB-CB 4.27Å; N577-Q600 PolarHBondContact ND2-OE1 3.19Å
578	M	97.3	Very high	95.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.194	C	C	.	.			trans	-122.3	27.6	174.8	-63.8	-168.9	75.1	0	0	111.3	L531 L548 F555 L564 L576 N581 I583 Q600 F601 N604	L531-M578 HydrophobicContact CD1-CE 4.18Å; L548-M578 HydrophobicContact CB-CG 4.49Å; F555-M578 HydrophobicContact CZ-CE 4.04Å; L564-M578 HydrophobicContact CD1-CE 4.32Å; L564-M578 HydrophobicContact CD1-SD 4.38Å; L564-M578 HydrophobicContact CD2-CE 3.71Å; L564-M578 HydrophobicContact CD2-SD 4.4Å; L576-M578 HydrophobicContact CD1-CG 4.07Å; L576-M578 HydrophobicContact CD2-CG 4.11Å; L576-M578 HydrophobicContact CD2-SD 3.9Å; L576-M578 HydrophobicContact CG-CG 3.88Å; L576-M578 HydrophobicContact CG-SD 4.34Å; M578-N581 PolarHBondContact O-ND2 2.93Å; M578-N581 VanDerWaalsContact O-ND2 3.12Å; M578-I583 HydrophobicContact CE-CD1 4.02Å; M578-Q600 PolarHBondContact N-O 3.4Å; M578-F601 HydrophobicContact CB-CD2 3.93Å; M578-F601 HydrophobicContact CB-CE2 4.07Å; M578-F601 HydrophobicContact SD-CE2 4.3Å; M578-N604 PolarHBondContact O-ND2 3.3Å
579	S	98.1	Very high	95.7	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.049	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	156.2	-177.9	-60.7	0	0	0	0	112.6	S549 W550 N577 N581 T602	S549-S579 CarbonylContact C-O 3.59Å; S549-S579 WeakPolarHBondContact CA-O 3.44Å; S549-S579 WeakPolarHBondContact CB-O 3.25Å; W550-S579 PolarHBondContact N-O 3.21Å; N577-S579 WeakPolarHBondContact OD1-CB 3.5Å; N577-S579 PolarHBondContact OD1-N 2.59Å; N577-S579 PolarHBondContact OD1-OG 2.8Å; S579-N581 PolarHBondContact O-N 3.07Å; S579-T602 CarbonylContact C-O 3.23Å; S579-T602 WeakPolarHBondContact CA-O 3.25Å; S579-T602 WeakPolarHBondContact CB-O 3.32Å; S579-T602 WeakPolarHBondContact CB-OG1 3.28Å; S579-T602 PolarHBondContact OG-N 3.29Å; S579-T602 PolarHBondContact OG-OG1 2.99Å
580	H	97.6	Very high	95.7	Very high	49 Å²	49	36 Å²	36	23%	0.227	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	31	176.1	-63	-91.4	0	0	0	114.5	W550 T602 H603	W550-H580 HydrophobicContact CD2-CB 3.49Å; W550-H580 VanDerWaalsContact CD2-CB 3.49Å; W550-H580 AromaticContact CD2-CG 3.87Å; W550-H580 AromaticContact CE2-CD2 3.62Å; W550-H580 AromaticContact CE2-CG 3.34Å; W550-H580 AromaticContact CE2-ND1 3.66Å; W550-H580 HydrophobicContact CE3-CB 3.98Å; W550-H580 HydrophobicContact CG-CB 3.75Å; W550-H580 HydrophobicContact CH2-CB 4.48Å; W550-H580 AromaticContact CH2-ND1 3.58Å; W550-H580 HydrophobicContact CZ2-CB 4.06Å; W550-H580 AromaticContact CZ2-CD2 3.82Å; W550-H580 AromaticContact CZ2-CE1 3.47Å; W550-H580 VanDerWaalsContact CZ2-CE1 3.47Å; W550-H580 WeakPolarHBondContact CZ2-CE1 3.23Å; W550-H580 AromaticContact CZ2-CG 3.48Å; W550-H580 VanDerWaalsContact CZ2-CG 3.48Å; W550-H580 AromaticContact CZ2-ND1 3.25Å; W550-H580 VanDerWaalsContact CZ2-ND1 3.25Å; W550-H580 WeakPolarHBondContact CZ2-ND1 3.24Å; W550-H580 AromaticContact CZ2-NE2 3.81Å; W550-H580 HydrophobicContact CZ3-CB 4.44Å; W550-H580 AromaticContact NE1-CD2 3.38Å; W550-H580 PolarHBondContact NE1-CD2 2.83Å; W550-H580 AromaticContact NE1-CG 3.54Å; H580-T602 PolarHBondContact N-O 2.83Å; H580-H603 WeakPolarHBondContact CA-O 3.44Å; H580-H603 HydrophobicContact CB-CB 4.27Å; H580-H603 AromaticContact CE1-CD2 3.47Å; H580-H603 PolarHBondContact CE1-CD2 3.24Å; H580-H603 VanDerWaalsContact CE1-CD2 3.47Å; H580-H603 AromaticContact CE1-CE1 3.48Å; H580-H603 PolarHBondContact CE1-CE1 2.7Å; H580-H603 VanDerWaalsContact CE1-CE1 3.48Å; H580-H603 AromaticContact CE1-CG 3.2Å; H580-H603 AromaticContact CE1-ND1 3.21Å; H580-H603 PolarHBondContact CE1-ND1 2.97Å; H580-H603 AromaticContact CE1-NE2 3.62Å; H580-H603 WeakPolarHBondContact ND1-CB 3.28Å; H580-H603 AromaticContact ND1-CD2 3.77Å; H580-H603 AromaticContact ND1-CG 3.43Å; H580-H603 AromaticContact ND1-ND1 3.89Å; H580-H603 AromaticContact NE2-CE1 3.77Å; H580-H603 AromaticContact NE2-CG 3.7Å; H580-H603 AromaticContact NE2-ND1 3.32Å; H580-H603 PolarHBondContact NE2-ND1 3.08Å
581	N	97.6	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.			trans	-95.6	-4.9	177.7	-77.2	-26.5	0	0	0	113.1	L548 W550 N551 A552 F555 M578 S579 I583 N604	L548-N581 PolarHBondContact O-ND2 2.7Å; L548-N581 PolarHBondContact O-OD1 3.29Å; W550-N581 PolarHBondContact N-OD1 3.43Å; N551-N581 VanDerWaalsContact CA-OD1 3.23Å; N551-N581 WeakPolarHBondContact CA-OD1 3.21Å; N551-N581 WeakPolarHBondContact CB-OD1 3.37Å; N551-N581 PolarHBondContact N-OD1 3.2Å; A552-N581 VanDerWaalsContact CA-O 3.29Å; A552-N581 WeakPolarHBondContact CA-O 3.16Å; A552-N581 VanDerWaalsContact CB-O 3.31Å; A552-N581 WeakPolarHBondContact CB-O 3.36Å; F555-N581 VanDerWaalsContact CB-O 3.27Å; F555-N581 WeakPolarHBondContact CB-O 3.41Å; F555-N581 HydrophobicContact CD2-CB 3.73Å; F555-N581 HydrophobicContact CE2-CB 3.87Å; F555-N581 HydrophobicContact CG-CB 4.49Å; M578-N581 PolarHBondContact O-ND2 2.93Å; M578-N581 VanDerWaalsContact O-ND2 3.12Å; S579-N581 PolarHBondContact O-N 3.07Å; N581-I583 HydrophobicContact CB-CD1 3.71Å; N581-I583 HydrophobicContact CB-CG1 3.56Å; N581-I583 PolarHBondContact O-N 3.2Å; N581-N604 VanDerWaalsContact C-OD1 3.27Å; N581-N604 WeakPolarHBondContact CA-OD1 3.33Å; N581-N604 VanDerWaalsContact CB-OD1 3.32Å; N581-N604 WeakPolarHBondContact CB-OD1 3.34Å; N581-N604 PolarHBondContact N-OD1 3.3Å
582	S	96.1	Very high	95.7	Very high	30 Å²	30	34.6 Å²	34.6	21%	0.21	18%	0.178	C	C	.	.			trans	53.1	31.1	-176.8	-53.3	0	0	0	0	113.2	K556 S584 H603 N604	K556-S582 VanDerWaalsContact CE-OG 3.23Å; K556-S582 WeakPolarHBondContact CE-OG 3.42Å; S582-S584 PolarHBondContact O-N 2.8Å; S582-S584 VanDerWaalsContact O-N 3.1Å; S582-H603 PolarHBondContact N-O 3.42Å; S582-N604 PolarHBondContact N-OD1 3.31Å
583	I	95.8	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.			trans	-64.3	112.5	-174.7	-60.6	164.8	0	0	0	109.5	F555 M578 N581 L586 F601 N604 K605 L609	F555-I583 HydrophobicContact CB-CG1 4.43Å; F555-I583 HydrophobicContact CD1-CD1 4.5Å; F555-I583 HydrophobicContact CD1-CG1 3.7Å; F555-I583 HydrophobicContact CD1-CG2 4.47Å; F555-I583 HydrophobicContact CD2-CG1 4.15Å; F555-I583 HydrophobicContact CE1-CD1 4.14Å; F555-I583 HydrophobicContact CE1-CG1 3.84Å; F555-I583 HydrophobicContact CE2-CD1 4.46Å; F555-I583 HydrophobicContact CE2-CG1 4.29Å; F555-I583 HydrophobicContact CG-CG1 3.85Å; F555-I583 HydrophobicContact CZ-CD1 4.11Å; F555-I583 HydrophobicContact CZ-CG1 4.13Å; M578-I583 HydrophobicContact CE-CD1 4.02Å; N581-I583 HydrophobicContact CB-CD1 3.71Å; N581-I583 HydrophobicContact CB-CG1 3.56Å; N581-I583 PolarHBondContact O-N 3.2Å; I583-L586 HydrophobicContact CG2-CD1 4.02Å; I583-L586 HydrophobicContact CG2-CD2 3.66Å; I583-L586 HydrophobicContact CG2-CG 3.66Å; I583-F601 HydrophobicContact CB-CZ 4.15Å; I583-F601 HydrophobicContact CD1-CE1 4.42Å; I583-F601 HydrophobicContact CD1-CE2 3.62Å; I583-F601 HydrophobicContact CD1-CZ 3.47Å; I583-F601 VanDerWaalsContact CD1-CZ 3.47Å; I583-F601 HydrophobicContact CG1-CZ 4.39Å; I583-F601 HydrophobicContact CG2-CZ 4.16Å; I583-N604 HydrophobicContact CB-CB 4.17Å; I583-N604 VanDerWaalsContact CG1-OD1 3.29Å; I583-N604 WeakPolarHBondContact CG1-OD1 3.31Å; I583-N604 PolarHBondContact N-OD1 3.03Å; I583-K605 CarbonylContact O-C 3.22Å; I583-K605 WeakPolarHBondContact O-CA 3.22Å; I583-K605 WeakPolarHBondContact O-CB 3.35Å; I583-K605 PolarHBondContact O-N 2.7Å; I583-L609 HydrophobicContact CG2-CD1 4.29Å
584	S	93.1	Very high	95.5	Very high	39 Å²	39	41.9 Å²	41.9	27%	0.273	20%	0.201	S	C	.	.			trans	-117.3	-17.9	178.7	59.7	0	0	0	0	113.7	S582 L609	S582-S584 PolarHBondContact O-N 2.8Å; S582-S584 VanDerWaalsContact O-N 3.1Å; S584-L609 WeakPolarHBondContact O-CD2 3.44Å
585	T	92.5	Very high	95.5	Very high	72 Å²	72	37.2 Å²	37.2	44%	0.442	19%	0.187	S	C	.	.			trans	-142.8	150	174.4	61.9	0	0	0	0	109.6
586	L	93.1	Very high	95.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	18%	0.182	C	C	.	.			trans	-140.5	142.5	174.5	-69.5	172	0	0	0	110.1	F555 H562 L564 I583 T588 K589 Y617 L620	F555-L586 HydrophobicContact CE1-CD2 4.06Å; H562-L586 HydrophobicContact CB-CD2 3.76Å; L564-L586 HydrophobicContact CD1-CD1 3.81Å; L564-L586 HydrophobicContact CD1-CD2 4.06Å; L564-L586 HydrophobicContact CG-CD2 4.31Å; I583-L586 HydrophobicContact CG2-CD1 4.02Å; I583-L586 HydrophobicContact CG2-CD2 3.66Å; I583-L586 HydrophobicContact CG2-CG 3.66Å; L586-T588 WeakPolarHBondContact CB-O 3.39Å; L586-K589 PolarHBondContact O-NZ 2.93Å; L586-Y617 HydrophobicContact CB-CE1 3.93Å; L586-Y617 PolarHBondContact N-OH 3.42Å; L586-Y617 VanDerWaalsContact O-CE1 3.32Å; L586-Y617 WeakPolarHBondContact O-CE1 3.33Å; L586-Y617 PolarHBondContact O-OH 2.93Å; L586-L620 HydrophobicContact CD1-CD1 3.98Å; L586-L620 HydrophobicContact CD1-CD2 4.11Å
587	T	92.3	Very high	95.5	Very high	75 Å²	75	37.3 Å²	37.3	46%	0.46	19%	0.189	S	C	.	.	S	Bend	trans	-70.9	-40.3	169.2	-51.1	0	0	0	0	109.6	T561 H562 K589	T561-T587 WeakPolarHBondContact CA-OG1 3.36Å; H562-T587 PolarHBondContact N-OG1 2.99Å; H562-T587 WeakPolarHBondContact O-CB 3.28Å; H562-T587 PolarHBondContact O-N 3.24Å; T587-K589 PolarHBondContact O-N 3.5Å
588	T	92.3	Very high	95.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.043	20%	0.195	C	C	.	.			trans	-70.7	120.8	174.5	-56.9	0	0	0	0	111.4	H562 N563 L564 L586 Q590	H562-T588 PolarHBondContact O-N 2.92Å; N563-T588 WeakPolarHBondContact CA-OG1 3.44Å; N563-T588 PolarHBondContact OD1-OG1 3.21Å; L564-T588 HydrophobicContact CB-CG2 4.21Å; L564-T588 PolarHBondContact N-OG1 3.15Å; L586-T588 WeakPolarHBondContact CB-O 3.39Å; T588-Q590 WeakPolarHBondContact CG2-O 3.35Å
589	K	93	Very high	95.5	Very high	84 Å²	84	38.8 Å²	38.8	37%	0.365	20%	0.195	S	C	.	.	S	Bend	trans	-90.1	-19.3	175.5	-55.4	-51.9	-173.8	-179.9	0	113.8	L586 T587 Y617 L620	L586-K589 PolarHBondContact O-NZ 2.93Å; T587-K589 PolarHBondContact O-N 3.5Å; K589-Y617 HydrophobicContact CD-CD1 3.91Å; K589-Y617 HydrophobicContact CD-CE1 3.58Å; K589-Y617 VanDerWaalsContact NZ-CE1 3.35Å; K589-Y617 PolarHBondContact NZ-OH 3.17Å; K589-L620 VanDerWaalsContact O-CA 3.3Å; K589-L620 WeakPolarHBondContact O-CA 3.28Å; K589-L620 PolarHBondContact O-N 3.05Å
590	Q	94.1	Very high	95.5	Very high	76 Å²	76	41 Å²	41	36%	0.355	21%	0.205	S	C	.	.	S	Bend	trans	-142.7	118.3	-178.7	-67.6	-177.7	-6.7	0	0	111	T588 H592 T619 N623	T588-Q590 WeakPolarHBondContact CG2-O 3.35Å; Q590-H592 PolarHBondContact O-CE1 2.82Å; Q590-H592 PolarHBondContact O-ND1 2.9Å; Q590-T619 VanDerWaalsContact CG-OG1 3.28Å; Q590-T619 WeakPolarHBondContact CG-OG1 3.46Å; Q590-T619 PolarHBondContact NE2-OG1 3.09Å; Q590-N623 PolarHBondContact OE1-ND2 2.99Å
591	M	95.4	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.			trans	-83.1	137.3	173.9	-61.2	174.5	68.5	0	0	110.2	L564 L567 L576 L620 F621 N623 L624	L564-M591 HydrophobicContact CB-CG 4.28Å; L564-M591 HydrophobicContact CD1-CE 4Å; L564-M591 HydrophobicContact CD1-CG 4.15Å; L564-M591 HydrophobicContact CD1-SD 3.89Å; L567-M591 HydrophobicContact CD1-CB 4.41Å; L567-M591 HydrophobicContact CD1-CE 3.37Å; L576-M591 HydrophobicContact CD2-CE 4.32Å; M591-L620 WeakPolarHBondContact CB-O 3.36Å; M591-L620 HydrophobicContact CG-CD1 3.91Å; M591-L620 HydrophobicContact CG-CG 4.4Å; M591-L620 PolarHBondContact N-O 2.75Å; M591-L620 HydrophobicContact SD-CD1 4.25Å; M591-L620 HydrophobicContact SD-CG 4.28Å; M591-F621 HydrophobicContact SD-CD1 3.89Å; M591-F621 HydrophobicContact SD-CE1 3.82Å; M591-N623 CarbonylContact O-C 3.42Å; M591-N623 VanDerWaalsContact O-CB 3.3Å; M591-N623 WeakPolarHBondContact O-CB 3.01Å; M591-L624 HydrophobicContact CB-CD1 4.42Å; M591-L624 HydrophobicContact CB-CD2 3.91Å; M591-L624 HydrophobicContact CB-CG 4.24Å
592	H	95.4	Very high	95.5	Very high	50 Å²	50	39.5 Å²	39.5	23%	0.231	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.2	-175.7	-66	75.9	0	0	0	110.6	L567 K568 Q590 N623	L567-H592 CarbonylContact C-O 3.38Å; L567-H592 WeakPolarHBondContact CB-O 3.42Å; K568-H592 HydrophobicContact CD-CB 4.18Å; K568-H592 VanDerWaalsContact CE-CB 3.4Å; K568-H592 HydrophobicContact CG-CB 3.68Å; Q590-H592 PolarHBondContact O-CE1 2.82Å; Q590-H592 PolarHBondContact O-ND1 2.9Å; H592-N623 HydrophobicContact CB-CB 4.45Å; H592-N623 PolarHBondContact CD2-ND2 3.5Å; H592-N623 PolarHBondContact CE1-ND2 2.77Å; H592-N623 PolarHBondContact NE2-ND2 3.33Å
593	S	96.3	Very high	95.6	Very high	8 Å²	8	41.1 Å²	41.1	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	142.2	170.1	-177.9	0	0	0	0	110.9	S595 L596 N623 T625	S593-S595 PolarHBondContact OG-N 3.33Å; S593-S595 PolarHBondContact OG-OG 3.49Å; S593-L596 WeakPolarHBondContact OG-CB 3.4Å; S593-L596 PolarHBondContact OG-N 3.31Å; S593-L596 VanDerWaalsContact OG-N 3.14Å; S593-N623 PolarHBondContact N-O 3.04Å; S593-N623 VanDerWaalsContact N-O 3.12Å; S593-N623 VanDerWaalsContact O-O 3.1Å; S593-T625 PolarHBondContact O-N 2.79Å; S593-T625 PolarHBondContact O-OG1 3.08Å
594	R	94.8	Very high	95.7	Very high	225 Å²	225	41.1 Å²	41.1	85%	0.849	20%	0.203	S	C	*	.	S	Bend	trans	-99.6	-13.1	175.2	-64.2	-176.5	-178.7	-179.6	0.4	113.1	N626	R594-N626 WeakPolarHBondContact O-CB 3.09Å
595	S	97	Very high	95.8	Very high	19 Å²	19	42.9 Å²	42.9	13%	0.133	21%	0.206	C	C	.	.	S	Bend	trans	-110.8	-29.8	-172.7	43.5	0	0	0	0	113.2	L570 P571 L573 S593 A597	L570-S595 PolarHBondContact O-OG 3.24Å; P571-S595 WeakPolarHBondContact O-CB 3.09Å; P571-S595 PolarHBondContact O-OG 3.23Å; L573-S595 PolarHBondContact N-OG 3.18Å; L573-S595 CarbonylContact O-C 3.53Å; L573-S595 VanDerWaalsContact O-CB 3.29Å; L573-S595 WeakPolarHBondContact O-CB 3.45Å; L573-S595 PolarHBondContact O-OG 3.07Å; S593-S595 PolarHBondContact OG-N 3.33Å; S593-S595 PolarHBondContact OG-OG 3.49Å; S595-A597 PolarHBondContact O-N 3.35Å
596	L	97.8	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.			trans	-60.1	119.2	-172.2	-169.6	71.1	0	0	0	111.5	L573 L576 S593 L599 L624 N626 L627	L573-L596 HydrophobicContact CD2-CD1 4.04Å; L573-L596 HydrophobicContact CG-CD1 4.12Å; L573-L596 WeakPolarHBondContact O-CA 3.45Å; L573-L596 PolarHBondContact O-N 3.43Å; L576-L596 HydrophobicContact CB-CD1 3.56Å; L576-L596 HydrophobicContact CB-CD2 4.3Å; L576-L596 HydrophobicContact CD2-CD2 4.46Å; S593-L596 WeakPolarHBondContact OG-CB 3.4Å; S593-L596 PolarHBondContact OG-N 3.31Å; S593-L596 VanDerWaalsContact OG-N 3.14Å; L596-L599 HydrophobicContact CD2-CB 4.28Å; L596-L624 HydrophobicContact CD2-CD1 4.28Å; L596-L624 HydrophobicContact CD2-CD2 4.12Å; L596-N626 CarbonylContact O-C 3.16Å; L596-L627 HydrophobicContact CD2-CD1 4.23Å; L596-L627 HydrophobicContact CG-CD1 4.16Å; L596-L627 WeakPolarHBondContact O-CA 3.3Å; L596-L627 PolarHBondContact O-N 2.79Å
597	A	97.6	Very high	96	Very high	17 Å²	17	40.3 Å²	40.3	14%	0.14	20%	0.195	C	C	.	.			trans	-105.3	-30.6	-177.8	0	0	0	0	0	112.5	R574 S595 T628 V629	R574-A597 HydrophobicContact CG-CB 3.78Å; R574-A597 PolarHBondContact O-N 3.01Å; S595-A597 PolarHBondContact O-N 3.35Å; A597-T628 PolarHBondContact O-N 2.94Å; A597-T628 PolarHBondContact O-OG1 2.95Å; A597-V629 PolarHBondContact O-N 2.83Å
598	E	98	Very high	96	Very high	51 Å²	51	40.5 Å²	40.5	24%	0.238	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.9	-179.9	178.5	175.6	165.5	0	0	111.1	R574 V575 L576 Q600 V629	R574-E598 PolarHBondContact O-N 3.03Å; V575-E598 WeakPolarHBondContact CA-O 3.48Å; V575-E598 HydrophobicContact CG1-CB 4.35Å; V575-E598 HydrophobicContact CG1-CG 4.29Å; V575-E598 HydrophobicContact CG2-CB 4.25Å; L576-E598 PolarHBondContact N-O 3.32Å; E598-Q600 HydrophobicContact CG-CG 4.34Å; E598-Q600 PolarHBondContact OE1-NE2 3.46Å; E598-V629 WeakPolarHBondContact CA-O 3.48Å; E598-V629 HydrophobicContact CB-CB 4.11Å; E598-V629 HydrophobicContact CG-CB 3.94Å; E598-V629 HydrophobicContact CG-CG1 4.01Å
599	L	98.3	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115	173.5	177.6	59.6	0	0	0	109.7	L576 L596 F601 F621 L624 L627 V629 L630 D631	L576-L599 HydrophobicContact CB-CD1 4.15Å; L576-L599 HydrophobicContact CD2-CD1 3.91Å; L576-L599 HydrophobicContact CG-CD1 4.05Å; L596-L599 HydrophobicContact CD2-CB 4.28Å; L599-F601 HydrophobicContact CD1-CD2 4.39Å; L599-F601 HydrophobicContact CG-CB 4.44Å; L599-F621 HydrophobicContact CD2-CD1 3.98Å; L599-F621 HydrophobicContact CD2-CE1 3.84Å; L599-L624 HydrophobicContact CD2-CD1 3.93Å; L599-L627 HydrophobicContact CB-CD1 3.76Å; L599-L627 HydrophobicContact CB-CD2 4.43Å; L599-V629 PolarHBondContact N-O 3.01Å; L599-L630 HydrophobicContact CB-CD1 4.2Å; L599-L630 HydrophobicContact CD2-CD1 4.01Å; L599-L630 HydrophobicContact CG-CD1 4.21Å; L599-D631 PolarHBondContact O-N 3.43Å
600	Q	98.3	Very high	96.1	Very high	53 Å²	53	36.6 Å²	36.6	25%	0.248	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.3	171.3	-58.3	177.2	-4.8	0	0	109	L576 N577 M578 E598	L576-Q600 PolarHBondContact O-N 3.48Å; N577-Q600 HydrophobicContact CB-CB 4.27Å; N577-Q600 PolarHBondContact ND2-OE1 3.19Å; M578-Q600 PolarHBondContact N-O 3.4Å; E598-Q600 HydrophobicContact CG-CG 4.34Å; E598-Q600 PolarHBondContact OE1-NE2 3.46Å
601	F	97.7	Very high	95.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.			trans	-124.1	27.5	-174.6	-151	-102.7	0	0	0	112.2	M578 I583 L599 N604 L606 F621 D631 I632 N635	M578-F601 HydrophobicContact CB-CD2 3.93Å; M578-F601 HydrophobicContact CB-CE2 4.07Å; M578-F601 HydrophobicContact SD-CE2 4.3Å; I583-F601 HydrophobicContact CB-CZ 4.15Å; I583-F601 HydrophobicContact CD1-CE1 4.42Å; I583-F601 HydrophobicContact CD1-CE2 3.62Å; I583-F601 HydrophobicContact CD1-CZ 3.47Å; I583-F601 VanDerWaalsContact CD1-CZ 3.47Å; I583-F601 HydrophobicContact CG1-CZ 4.39Å; I583-F601 HydrophobicContact CG2-CZ 4.16Å; L599-F601 HydrophobicContact CD1-CD2 4.39Å; L599-F601 HydrophobicContact CG-CB 4.44Å; F601-N604 HydrophobicContact CD1-CB 3.97Å; F601-N604 HydrophobicContact CE1-CB 3.76Å; F601-N604 HydrophobicContact CZ-CB 4.49Å; F601-N604 PolarHBondContact O-ND2 2.89Å; F601-L606 HydrophobicContact CE1-CD1 4.25Å; F601-F621 HydrophobicContact CD1-CZ 4.49Å; F601-D631 CarbonylContact C-O 3.46Å; F601-D631 WeakPolarHBondContact CA-O 3.45Å; F601-D631 PolarHBondContact N-O 2.98Å; F601-I632 HydrophobicContact CB-CG2 4.3Å; F601-N635 PolarHBondContact O-ND2 3.4Å
602	T	97.6	Very high	95.1	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.11	23%	0.225	C	C	.	.			trans	-70.2	156	-172	78.1	0	0	0	0	112.6	S579 H580 N604 D631 S633	S579-T602 CarbonylContact C-O 3.23Å; S579-T602 WeakPolarHBondContact CA-O 3.25Å; S579-T602 WeakPolarHBondContact CB-O 3.32Å; S579-T602 WeakPolarHBondContact CB-OG1 3.28Å; S579-T602 PolarHBondContact OG-N 3.29Å; S579-T602 PolarHBondContact OG-OG1 2.99Å; H580-T602 PolarHBondContact N-O 2.83Å; T602-N604 VanDerWaalsContact C-N 3.3Å; T602-N604 PolarHBondContact O-N 2.74Å; T602-N604 PolarHBondContact O-ND2 3.43Å; T602-D631 HydrophobicContact CG2-CB 4.13Å; T602-D631 VanDerWaalsContact CG2-CG 3.43Å; T602-D631 WeakPolarHBondContact CG2-OD1 3.5Å; T602-S633 WeakPolarHBondContact CA-O 3.29Å; T602-S633 WeakPolarHBondContact CG2-OG 3.3Å
603	H	97	Very high	94.4	Very high	64 Å²	64	46.6 Å²	46.6	30%	0.296	25%	0.251	S	S	.	.	S	Bend	trans	56.3	41.3	177	-66.5	87.2	0	0	0	113.9	H580 S582 S633 W634	H580-H603 WeakPolarHBondContact CA-O 3.44Å; H580-H603 HydrophobicContact CB-CB 4.27Å; H580-H603 AromaticContact CE1-CD2 3.47Å; H580-H603 PolarHBondContact CE1-CD2 3.24Å; H580-H603 VanDerWaalsContact CE1-CD2 3.47Å; H580-H603 AromaticContact CE1-CE1 3.48Å; H580-H603 PolarHBondContact CE1-CE1 2.7Å; H580-H603 VanDerWaalsContact CE1-CE1 3.48Å; H580-H603 AromaticContact CE1-CG 3.2Å; H580-H603 AromaticContact CE1-ND1 3.21Å; H580-H603 PolarHBondContact CE1-ND1 2.97Å; H580-H603 AromaticContact CE1-NE2 3.62Å; H580-H603 WeakPolarHBondContact ND1-CB 3.28Å; H580-H603 AromaticContact ND1-CD2 3.77Å; H580-H603 AromaticContact ND1-CG 3.43Å; H580-H603 AromaticContact ND1-ND1 3.89Å; H580-H603 AromaticContact NE2-CE1 3.77Å; H580-H603 AromaticContact NE2-CG 3.7Å; H580-H603 AromaticContact NE2-ND1 3.32Å; H580-H603 PolarHBondContact NE2-ND1 3.08Å; S582-H603 PolarHBondContact N-O 3.42Å; H603-S633 PolarHBondContact N-O 2.84Å; H603-W634 WeakPolarHBondContact CA-O 3.09Å; H603-W634 HydrophobicContact CB-CB 4.43Å; H603-W634 AromaticContact CE1-CD1 3.39Å; H603-W634 AromaticContact CE1-CD2 3.66Å; H603-W634 AromaticContact CE1-CE2 3.97Å; H603-W634 AromaticContact CE1-CG 3.28Å; H603-W634 AromaticContact CE1-NE1 3.78Å; H603-W634 PolarHBondContact N-O 3.33Å; H603-W634 VanDerWaalsContact N-O 3.15Å; H603-W634 AromaticContact ND1-CD1 3.87Å; H603-W634 AromaticContact ND1-CG 3.7Å; H603-W634 AromaticContact NE2-CD2 3.51Å; H603-W634 AromaticContact NE2-CE3 3.85Å; H603-W634 AromaticContact NE2-CG 3.53Å
604	N	98.1	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-113.3	-166.2	169.2	-72.9	-59.2	0	0	0	109.9	M578 N581 S582 I583 F601 T602 N635	M578-N604 PolarHBondContact O-ND2 3.3Å; N581-N604 VanDerWaalsContact C-OD1 3.27Å; N581-N604 WeakPolarHBondContact CA-OD1 3.33Å; N581-N604 VanDerWaalsContact CB-OD1 3.32Å; N581-N604 WeakPolarHBondContact CB-OD1 3.34Å; N581-N604 PolarHBondContact N-OD1 3.3Å; S582-N604 PolarHBondContact N-OD1 3.31Å; I583-N604 HydrophobicContact CB-CB 4.17Å; I583-N604 VanDerWaalsContact CG1-OD1 3.29Å; I583-N604 WeakPolarHBondContact CG1-OD1 3.31Å; I583-N604 PolarHBondContact N-OD1 3.03Å; F601-N604 HydrophobicContact CD1-CB 3.97Å; F601-N604 HydrophobicContact CE1-CB 3.76Å; F601-N604 HydrophobicContact CZ-CB 4.49Å; F601-N604 PolarHBondContact O-ND2 2.89Å; T602-N604 VanDerWaalsContact C-N 3.3Å; T602-N604 PolarHBondContact O-N 2.74Å; T602-N604 PolarHBondContact O-ND2 3.43Å; N604-N635 WeakPolarHBondContact CA-OD1 3.34Å; N604-N635 WeakPolarHBondContact CB-OD1 3.44Å; N604-N635 WeakPolarHBondContact O-CA 3.42Å; N604-N635 PolarHBondContact O-OD1 3.19Å
605	K	95.9	Very high	93.6	Very high	77 Å²	77	43.3 Å²	43.3	34%	0.335	25%	0.25	S	C	.	.			trans	-122.1	48.1	-179.2	-58.5	-63.4	-176.1	-165.3	0	111	I583 G607 T608 L609 D636	I583-K605 CarbonylContact O-C 3.22Å; I583-K605 WeakPolarHBondContact O-CA 3.22Å; I583-K605 WeakPolarHBondContact O-CB 3.35Å; I583-K605 PolarHBondContact O-N 2.7Å; K605-G607 PolarHBondContact O-N 3.39Å; K605-T608 WeakPolarHBondContact O-CA 3.28Å; K605-T608 WeakPolarHBondContact O-CB 3.39Å; K605-T608 PolarHBondContact O-N 3.08Å; K605-L609 PolarHBondContact O-N 2.87Å; K605-D636 WeakPolarHBondContact CD-OD2 2.99Å; K605-D636 IonicContact NZ-OD2 3.37Å; K605-D636 PolarHBondContact NZ-OD2 2.78Å
606	L	95.6	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-29.2	179.3	-161.2	65.1	0	0	0	112.5	F601 T608 L609 W610 L620 F621 I632 N635 I637	F601-L606 HydrophobicContact CE1-CD1 4.25Å; L606-T608 PolarHBondContact O-N 2.78Å; L606-L609 HydrophobicContact CD1-CB 4.25Å; L606-L609 HydrophobicContact CD1-CD1 3.87Å; L606-L609 PolarHBondContact O-N 3.32Å; L606-L609 VanDerWaalsContact O-N 3.1Å; L606-W610 HydrophobicContact CD1-CD2 4.19Å; L606-W610 HydrophobicContact CD1-CZ2 4.08Å; L606-W610 HydrophobicContact CD2-CD2 4.19Å; L606-W610 HydrophobicContact CD2-CE3 3.81Å; L606-W610 HydrophobicContact CD2-CH2 3.37Å; L606-W610 HydrophobicContact CD2-CZ2 3.76Å; L606-W610 HydrophobicContact CD2-CZ3 3.38Å; L606-W610 HydrophobicContact CG-CD2 3.73Å; L606-W610 HydrophobicContact CG-CE3 3.7Å; L606-W610 HydrophobicContact CG-CG 4.44Å; L606-W610 HydrophobicContact CG-CH2 4.01Å; L606-W610 HydrophobicContact CG-CZ2 4.01Å; L606-W610 HydrophobicContact CG-CZ3 3.84Å; L606-W610 PolarHBondContact O-N 3.2Å; L606-L620 HydrophobicContact CD1-CD2 4.27Å; L606-F621 HydrophobicContact CD1-CE2 4.2Å; L606-F621 HydrophobicContact CD1-CZ 4.06Å; L606-F621 HydrophobicContact CD2-CE2 4.01Å; L606-F621 HydrophobicContact CD2-CZ 4.32Å; L606-I632 HydrophobicContact CD2-CB 4.08Å; L606-I632 HydrophobicContact CD2-CD1 4.45Å; L606-I632 HydrophobicContact CD2-CG2 3.71Å; L606-N635 HydrophobicContact CB-CB 3.81Å; L606-N635 VanDerWaalsContact CB-OD1 3.24Å; L606-N635 WeakPolarHBondContact CB-OD1 3.43Å; L606-N635 PolarHBondContact N-O 2.92Å; L606-N635 PolarHBondContact N-OD1 2.89Å; L606-N635 VanDerWaalsContact N-OD1 3.15Å; L606-I637 HydrophobicContact CB-CD1 4.47Å; L606-I637 HydrophobicContact CB-CG1 4.45Å; L606-I637 HydrophobicContact CD2-CD1 4.21Å
607	G	93.9	Very high	93.1	Very high	22 Å²	22	45.6 Å²	45.6	23%	0.227	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-29.9	170.5	0	0	0	0	0	114	K605 K611 N635	K605-G607 PolarHBondContact O-N 3.39Å; G607-K611 PolarHBondContact O-N 3.26Å; G607-N635 PolarHBondContact N-O 3Å
608	T	93	Very high	92.8	Very high	79 Å²	79	46.1 Å²	46.1	49%	0.485	26%	0.262	S	S	.	.	H	α-helix	trans	-75.7	-38.3	172.1	-54.6	0	0	0	0	111.9	K605 L606 K611	K605-T608 WeakPolarHBondContact O-CA 3.28Å; K605-T608 WeakPolarHBondContact O-CB 3.39Å; K605-T608 PolarHBondContact O-N 3.08Å; L606-T608 PolarHBondContact O-N 2.78Å; T608-K611 WeakPolarHBondContact O-CB 3.45Å; T608-K611 PolarHBondContact O-N 3.44Å
609	L	93	Very high	92.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-69.7	-32.1	177.7	-68.5	173.3	0	0	0	112.8	I583 S584 K605 L606 Y617 L620	I583-L609 HydrophobicContact CG2-CD1 4.29Å; S584-L609 WeakPolarHBondContact O-CD2 3.44Å; K605-L609 PolarHBondContact O-N 2.87Å; L606-L609 HydrophobicContact CD1-CB 4.25Å; L606-L609 HydrophobicContact CD1-CD1 3.87Å; L606-L609 PolarHBondContact O-N 3.32Å; L606-L609 VanDerWaalsContact O-N 3.1Å; L609-Y617 HydrophobicContact CB-CD2 4.09Å; L609-Y617 HydrophobicContact CB-CG 4.22Å; L609-Y617 HydrophobicContact CD2-CD1 4.08Å; L609-Y617 HydrophobicContact CD2-CD2 3.62Å; L609-Y617 HydrophobicContact CD2-CE1 3.95Å; L609-Y617 HydrophobicContact CD2-CE2 3.47Å; L609-Y617 VanDerWaalsContact CD2-CE2 3.47Å; L609-Y617 HydrophobicContact CD2-CG 3.89Å; L609-Y617 HydrophobicContact CG-CD2 4.49Å; L609-Y617 WeakPolarHBondContact O-CD2 3.48Å; L609-L620 HydrophobicContact CD1-CD2 4.47Å
610	W	92.8	Very high	92.5	Very high	7 Å²	7	45.3 Å²	45.3	3%	0.027	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	30.1	177.9	-66.7	-19.9	0	0	0	112.7	L606 V612 Y617 F621 I632 I637 I640 P641 V644 L648	L606-W610 HydrophobicContact CD1-CD2 4.19Å; L606-W610 HydrophobicContact CD1-CZ2 4.08Å; L606-W610 HydrophobicContact CD2-CD2 4.19Å; L606-W610 HydrophobicContact CD2-CE3 3.81Å; L606-W610 HydrophobicContact CD2-CH2 3.37Å; L606-W610 HydrophobicContact CD2-CZ2 3.76Å; L606-W610 HydrophobicContact CD2-CZ3 3.38Å; L606-W610 HydrophobicContact CG-CD2 3.73Å; L606-W610 HydrophobicContact CG-CE3 3.7Å; L606-W610 HydrophobicContact CG-CG 4.44Å; L606-W610 HydrophobicContact CG-CH2 4.01Å; L606-W610 HydrophobicContact CG-CZ2 4.01Å; L606-W610 HydrophobicContact CG-CZ3 3.84Å; L606-W610 PolarHBondContact O-N 3.2Å; W610-V612 PolarHBondContact O-N 3.45Å; W610-Y617 PolarHBondContact NE1-O 3.29Å; W610-F621 HydrophobicContact CH2-CD2 4.29Å; W610-F621 AromaticContact CH2-CE2 3.91Å; W610-F621 HydrophobicContact CH2-CE2 3.91Å; W610-F621 AromaticContact CZ2-CD2 3.83Å; W610-F621 HydrophobicContact CZ2-CD2 3.83Å; W610-F621 AromaticContact CZ2-CE2 3.53Å; W610-F621 HydrophobicContact CZ2-CE2 3.53Å; W610-I632 HydrophobicContact CH2-CD1 4.24Å; W610-I632 HydrophobicContact CZ3-CD1 4.1Å; W610-I637 HydrophobicContact CZ3-CD1 4.25Å; W610-I640 HydrophobicContact CE3-CG1 4.49Å; W610-I640 HydrophobicContact CZ3-CD1 4.47Å; W610-I640 HydrophobicContact CZ3-CG1 4.33Å; W610-I640 HydrophobicContact CZ3-CG2 4.5Å; W610-P641 HydrophobicContact CB-CG 4.49Å; W610-V644 HydrophobicContact CD2-CG1 4.26Å; W610-V644 HydrophobicContact CH2-CG1 4.11Å; W610-V644 HydrophobicContact CZ2-CG1 3.81Å; W610-V644 HydrophobicContact CZ3-CG1 4.48Å; W610-L648 HydrophobicContact CH2-CD2 4.46Å
611	K	88.1	Confident	92.4	Very high	141 Å²	141	42.9 Å²	42.9	61%	0.613	25%	0.249	S	C	*	.			trans	-58.5	137.1	176.3	-172.3	179.3	179.1	-175.6	0	110.3	G607 T608 G613 D614	G607-K611 PolarHBondContact O-N 3.26Å; T608-K611 WeakPolarHBondContact O-CB 3.45Å; T608-K611 PolarHBondContact O-N 3.44Å; K611-G613 PolarHBondContact O-N 2.71Å; K611-D614 PolarHBondContact O-N 2.65Å
612	V	80.3	Confident	92.3	Very high	120 Å²	120	45.2 Å²	45.2	73%	0.727	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	129.8	176.7	-176.9	0	0	0	0	110.1	W610	W610-V612 PolarHBondContact O-N 3.45Å
613	G	81.1	Confident	92.2	Very high	75 Å²	75	46.8 Å²	46.8	77%	0.773	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-4.5	-177.5	0	0	0	0	0	115.2	K611	K611-G613 PolarHBondContact O-N 2.71Å
614	D	87.1	Confident	92.2	Very high	54 Å²	54	43.7 Å²	43.7	29%	0.289	26%	0.257	S	S	.	.			trans	-104.4	112.7	170.6	-171.4	-1.6	0	0	0	110.8	K611 S616	K611-D614 PolarHBondContact O-N 2.65Å; D614-S616 VanDerWaalsContact C-N 3.33Å; D614-S616 WeakPolarHBondContact OD1-CB 3.39Å; D614-S616 PolarHBondContact OD1-N 3.01Å; D614-S616 PolarHBondContact OD1-OG 3.1Å
615	D	87.6	Confident	92	Very high	110 Å²	110	47.4 Å²	47.4	59%	0.588	28%	0.28	S	S	*	.			trans	-85.9	-4.9	178.8	-68.2	-30.9	0	0	0	113.4	Y617 K618	D615-Y617 PolarHBondContact O-N 2.91Å; D615-K618 HydrophobicContact CB-CD 4.36Å; D615-K618 WeakPolarHBondContact OD1-CD 3.28Å; D615-K618 WeakPolarHBondContact OD1-CE 3.25Å; D615-K618 IonicContact OD1-NZ 3.18Å; D615-K618 PolarHBondContact OD1-NZ 3.15Å
616	S	89.9	Confident	92	Very high	50 Å²	50	47.3 Å²	47.3	35%	0.35	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.1	-167.7	-61.2	0	0	0	0	114.3	D614	D614-S616 VanDerWaalsContact C-N 3.33Å; D614-S616 WeakPolarHBondContact OD1-CB 3.39Å; D614-S616 PolarHBondContact OD1-N 3.01Å; D614-S616 PolarHBondContact OD1-OG 3.1Å
617	Y	93.8	Very high	92.1	Very high	18 Å²	18	47.3 Å²	47.3	7%	0.071	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	12.4	-170.5	-55.9	-77.8	0	0	0	114	L586 K589 L609 W610 D615 T619 L620	L586-Y617 HydrophobicContact CB-CE1 3.93Å; L586-Y617 PolarHBondContact N-OH 3.42Å; L586-Y617 VanDerWaalsContact O-CE1 3.32Å; L586-Y617 WeakPolarHBondContact O-CE1 3.33Å; L586-Y617 PolarHBondContact O-OH 2.93Å; K589-Y617 HydrophobicContact CD-CD1 3.91Å; K589-Y617 HydrophobicContact CD-CE1 3.58Å; K589-Y617 VanDerWaalsContact NZ-CE1 3.35Å; K589-Y617 PolarHBondContact NZ-OH 3.17Å; L609-Y617 HydrophobicContact CB-CD2 4.09Å; L609-Y617 HydrophobicContact CB-CG 4.22Å; L609-Y617 HydrophobicContact CD2-CD1 4.08Å; L609-Y617 HydrophobicContact CD2-CD2 3.62Å; L609-Y617 HydrophobicContact CD2-CE1 3.95Å; L609-Y617 HydrophobicContact CD2-CE2 3.47Å; L609-Y617 VanDerWaalsContact CD2-CE2 3.47Å; L609-Y617 HydrophobicContact CD2-CG 3.89Å; L609-Y617 HydrophobicContact CG-CD2 4.49Å; L609-Y617 WeakPolarHBondContact O-CD2 3.48Å; W610-Y617 PolarHBondContact NE1-O 3.29Å; D615-Y617 PolarHBondContact O-N 2.91Å; Y617-T619 PolarHBondContact O-N 3.34Å; Y617-L620 VanDerWaalsContact O-CB 3.24Å; Y617-L620 WeakPolarHBondContact O-CB 3.33Å; Y617-L620 PolarHBondContact O-N 3.5Å; Y617-L620 VanDerWaalsContact O-N 3.16Å
618	K	92.3	Very high	92.2	Very high	28 Å²	28	48.3 Å²	48.3	12%	0.122	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.7	-179	-63.2	-171.5	168.7	-179.2	0	113.5	D615 D643 V644 K647	D615-K618 HydrophobicContact CB-CD 4.36Å; D615-K618 WeakPolarHBondContact OD1-CD 3.28Å; D615-K618 WeakPolarHBondContact OD1-CE 3.25Å; D615-K618 IonicContact OD1-NZ 3.18Å; D615-K618 PolarHBondContact OD1-NZ 3.15Å; K618-D643 WeakPolarHBondContact CD-OD2 2.87Å; K618-D643 VanDerWaalsContact CE-OD1 3.29Å; K618-D643 WeakPolarHBondContact CE-OD1 3.41Å; K618-D643 WeakPolarHBondContact CE-OD2 3.4Å; K618-D643 IonicContact NZ-OD1 2.76Å; K618-D643 PolarHBondContact NZ-OD1 3.42Å; K618-D643 IonicContact NZ-OD2 2.68Å; K618-D643 PolarHBondContact NZ-OD2 3.49Å; K618-V644 HydrophobicContact CB-CG2 3.99Å; K618-V644 HydrophobicContact CD-CG2 4.37Å; K618-V644 HydrophobicContact CG-CG2 3.86Å; K618-K647 HydrophobicContact CB-CD 3.97Å; K618-K647 WeakPolarHBondContact O-CB 3.32Å; K618-K647 WeakPolarHBondContact O-CD 3.31Å
619	T	94.6	Very high	92.5	Very high	32 Å²	32	45.4 Å²	45.4	20%	0.196	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	14	177.9	54.1	0	0	0	0	113.3	Q590 Y617 F621 T622 K647	Q590-T619 VanDerWaalsContact CG-OG1 3.28Å; Q590-T619 WeakPolarHBondContact CG-OG1 3.46Å; Q590-T619 PolarHBondContact NE2-OG1 3.09Å; Y617-T619 PolarHBondContact O-N 3.34Å; T619-F621 VanDerWaalsContact C-N 3.27Å; T619-F621 PolarHBondContact O-N 3.42Å; T619-F621 VanDerWaalsContact O-N 3.16Å; T619-T622 VanDerWaalsContact CA-OG1 3.29Å; T619-T622 WeakPolarHBondContact CA-OG1 3.37Å; T619-T622 PolarHBondContact O-N 2.92Å; T619-T622 PolarHBondContact O-OG1 3.39Å; T619-K647 HydrophobicContact CG2-CD 3.7Å; T619-K647 HydrophobicContact CG2-CG 4.23Å
620	L	95.3	Very high	92.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-41.1	-171.8	-177.7	62.7	0	0	0	113.1	L586 K589 M591 L606 L609 Y617	L586-L620 HydrophobicContact CD1-CD1 3.98Å; L586-L620 HydrophobicContact CD1-CD2 4.11Å; K589-L620 VanDerWaalsContact O-CA 3.3Å; K589-L620 WeakPolarHBondContact O-CA 3.28Å; K589-L620 PolarHBondContact O-N 3.05Å; M591-L620 WeakPolarHBondContact CB-O 3.36Å; M591-L620 HydrophobicContact CG-CD1 3.91Å; M591-L620 HydrophobicContact CG-CG 4.4Å; M591-L620 PolarHBondContact N-O 2.75Å; M591-L620 HydrophobicContact SD-CD1 4.25Å; M591-L620 HydrophobicContact SD-CG 4.28Å; L606-L620 HydrophobicContact CD1-CD2 4.27Å; L609-L620 HydrophobicContact CD1-CD2 4.47Å; Y617-L620 VanDerWaalsContact O-CB 3.24Å; Y617-L620 WeakPolarHBondContact O-CB 3.33Å; Y617-L620 PolarHBondContact O-N 3.5Å; Y617-L620 VanDerWaalsContact O-N 3.16Å
621	F	96	Very high	93	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-1.2	-176.9	-53.7	-47.7	0	0	0	114.3	M591 L599 F601 L606 W610 T619 N623 L624 L630 L648 P649	M591-F621 HydrophobicContact SD-CD1 3.89Å; M591-F621 HydrophobicContact SD-CE1 3.82Å; L599-F621 HydrophobicContact CD2-CD1 3.98Å; L599-F621 HydrophobicContact CD2-CE1 3.84Å; F601-F621 HydrophobicContact CD1-CZ 4.49Å; L606-F621 HydrophobicContact CD1-CE2 4.2Å; L606-F621 HydrophobicContact CD1-CZ 4.06Å; L606-F621 HydrophobicContact CD2-CE2 4.01Å; L606-F621 HydrophobicContact CD2-CZ 4.32Å; W610-F621 HydrophobicContact CH2-CD2 4.29Å; W610-F621 AromaticContact CH2-CE2 3.91Å; W610-F621 HydrophobicContact CH2-CE2 3.91Å; W610-F621 AromaticContact CZ2-CD2 3.83Å; W610-F621 HydrophobicContact CZ2-CD2 3.83Å; W610-F621 AromaticContact CZ2-CE2 3.53Å; W610-F621 HydrophobicContact CZ2-CE2 3.53Å; T619-F621 VanDerWaalsContact C-N 3.27Å; T619-F621 PolarHBondContact O-N 3.42Å; T619-F621 VanDerWaalsContact O-N 3.16Å; F621-N623 VanDerWaalsContact C-N 3.32Å; F621-N623 PolarHBondContact O-N 3.2Å; F621-L624 HydrophobicContact CB-CD1 4.15Å; F621-L624 HydrophobicContact CD1-CD1 4.01Å; F621-L624 HydrophobicContact CG-CD1 4.5Å; F621-L624 WeakPolarHBondContact O-CB 3.34Å; F621-L624 PolarHBondContact O-N 2.8Å; F621-L624 VanDerWaalsContact O-N 3.15Å; F621-L630 HydrophobicContact CD2-CD2 4.43Å; F621-L648 HydrophobicContact CB-CD2 4.3Å; F621-L648 HydrophobicContact CD2-CD2 3.87Å; F621-P649 VanDerWaalsContact O-CG 3.31Å; F621-P649 WeakPolarHBondContact O-CG 3.2Å
622	T	95	Very high	93.4	Very high	48 Å²	48	39 Å²	39	29%	0.294	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.7	-169.8	-54.8	0	0	0	0	113.3	T619 L624 K647	T619-T622 VanDerWaalsContact CA-OG1 3.29Å; T619-T622 WeakPolarHBondContact CA-OG1 3.37Å; T619-T622 PolarHBondContact O-N 2.92Å; T619-T622 PolarHBondContact O-OG1 3.39Å; T622-L624 VanDerWaalsContact C-N 3.26Å; T622-L624 PolarHBondContact O-N 2.93Å; T622-K647 VanDerWaalsContact CA-O 3.27Å; T622-K647 WeakPolarHBondContact CA-O 3Å; T622-K647 WeakPolarHBondContact CB-O 3.4Å; T622-K647 PolarHBondContact OG1-O 3.47Å
623	N	95.8	Very high	94.3	Very high	51 Å²	51	33.7 Å²	33.7	27%	0.273	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	17.7	-176.2	-61.2	-26.3	0	0	0	113.5	Q590 M591 H592 S593 F621 T625	Q590-N623 PolarHBondContact OE1-ND2 2.99Å; M591-N623 CarbonylContact O-C 3.42Å; M591-N623 VanDerWaalsContact O-CB 3.3Å; M591-N623 WeakPolarHBondContact O-CB 3.01Å; H592-N623 HydrophobicContact CB-CB 4.45Å; H592-N623 PolarHBondContact CD2-ND2 3.5Å; H592-N623 PolarHBondContact CE1-ND2 2.77Å; H592-N623 PolarHBondContact NE2-ND2 3.33Å; S593-N623 PolarHBondContact N-O 3.04Å; S593-N623 VanDerWaalsContact N-O 3.12Å; S593-N623 VanDerWaalsContact O-O 3.1Å; F621-N623 VanDerWaalsContact C-N 3.32Å; F621-N623 PolarHBondContact O-N 3.2Å; N623-T625 VanDerWaalsContact C-N 3.32Å; N623-T625 PolarHBondContact O-N 2.85Å
624	L	96.6	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	67.9	169	-57.6	-180	0	0	0	110	M591 L596 L599 F621 T622 N626 L627 P649	M591-L624 HydrophobicContact CB-CD1 4.42Å; M591-L624 HydrophobicContact CB-CD2 3.91Å; M591-L624 HydrophobicContact CB-CG 4.24Å; L596-L624 HydrophobicContact CD2-CD1 4.28Å; L596-L624 HydrophobicContact CD2-CD2 4.12Å; L599-L624 HydrophobicContact CD2-CD1 3.93Å; F621-L624 HydrophobicContact CB-CD1 4.15Å; F621-L624 HydrophobicContact CD1-CD1 4.01Å; F621-L624 HydrophobicContact CG-CD1 4.5Å; F621-L624 WeakPolarHBondContact O-CB 3.34Å; F621-L624 PolarHBondContact O-N 2.8Å; F621-L624 VanDerWaalsContact O-N 3.15Å; T622-L624 VanDerWaalsContact C-N 3.26Å; T622-L624 PolarHBondContact O-N 2.93Å; L624-N626 VanDerWaalsContact C-N 3.28Å; L624-N626 PolarHBondContact O-N 3.21Å; L624-N626 VanDerWaalsContact O-N 3.15Å; L624-L627 HydrophobicContact CB-CB 4.05Å; L624-L627 HydrophobicContact CB-CD2 4.37Å; L624-L627 HydrophobicContact CD1-CD2 4.16Å; L624-L627 VanDerWaalsContact O-CB 3.28Å; L624-L627 WeakPolarHBondContact O-CB 3.23Å; L624-L627 PolarHBondContact O-N 3.24Å; L624-L627 VanDerWaalsContact O-N 3.11Å; L624-P649 HydrophobicContact CB-CG 4.32Å
625	T	93.6	Very high	95.6	Very high	78 Å²	78	33.4 Å²	33.4	48%	0.479	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.7	-164	52.8	0	0	0	0	115.8	S593 N623 N651	S593-T625 PolarHBondContact O-N 2.79Å; S593-T625 PolarHBondContact O-OG1 3.08Å; N623-T625 VanDerWaalsContact C-N 3.32Å; N623-T625 PolarHBondContact O-N 2.85Å; T625-N651 PolarHBondContact O-ND2 2.79Å
626	N	95.9	Very high	96	Very high	75 Å²	75	30.5 Å²	30.5	40%	0.401	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	10.4	-178.9	-156.8	42.6	0	0	0	113.4	R594 L596 L624 T628	R594-N626 WeakPolarHBondContact O-CB 3.09Å; L596-N626 CarbonylContact O-C 3.16Å; L624-N626 VanDerWaalsContact C-N 3.28Å; L624-N626 PolarHBondContact O-N 3.21Å; L624-N626 VanDerWaalsContact O-N 3.15Å; N626-T628 PolarHBondContact O-N 3.33Å
627	L	97.6	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.			trans	-69	127.2	-175.1	-164.5	72.8	0	0	0	111.1	L596 L599 L624 L630 P649 N651 L652	L596-L627 HydrophobicContact CD2-CD1 4.23Å; L596-L627 HydrophobicContact CG-CD1 4.16Å; L596-L627 WeakPolarHBondContact O-CA 3.3Å; L596-L627 PolarHBondContact O-N 2.79Å; L599-L627 HydrophobicContact CB-CD1 3.76Å; L599-L627 HydrophobicContact CB-CD2 4.43Å; L624-L627 HydrophobicContact CB-CB 4.05Å; L624-L627 HydrophobicContact CB-CD2 4.37Å; L624-L627 HydrophobicContact CD1-CD2 4.16Å; L624-L627 VanDerWaalsContact O-CB 3.28Å; L624-L627 WeakPolarHBondContact O-CB 3.23Å; L624-L627 PolarHBondContact O-N 3.24Å; L624-L627 VanDerWaalsContact O-N 3.11Å; L627-L630 HydrophobicContact CD2-CB 4.14Å; L627-L630 HydrophobicContact CD2-CD1 4.25Å; L627-P649 HydrophobicContact CB-CB 4.08Å; L627-P649 HydrophobicContact CB-CG 4.1Å; L627-P649 HydrophobicContact CD2-CG 3.97Å; L627-N651 CarbonylContact O-C 3.11Å; L627-L652 HydrophobicContact CD2-CD2 4.13Å; L627-L652 HydrophobicContact CG-CD2 4.11Å
628	T	97.3	Very high	96.2	Very high	43 Å²	43	33.6 Å²	33.6	26%	0.264	17%	0.173	S	C	.	.			trans	-118	-29	-178	60.8	0	0	0	0	113	A597 N626 T653 E654	A597-T628 PolarHBondContact O-N 2.94Å; A597-T628 PolarHBondContact O-OG1 2.95Å; N626-T628 PolarHBondContact O-N 3.33Å; T628-T653 PolarHBondContact O-N 3.33Å; T628-T653 PolarHBondContact O-OG1 3.45Å; T628-E654 PolarHBondContact O-N 3.44Å
629	V	98.2	Very high	96.2	Very high	18 Å²	18	36.9 Å²	36.9	11%	0.109	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.6	179	-177.8	0	0	0	0	108.4	A597 E598 L599 E654	A597-V629 PolarHBondContact O-N 2.83Å; E598-V629 WeakPolarHBondContact CA-O 3.48Å; E598-V629 HydrophobicContact CB-CB 4.11Å; E598-V629 HydrophobicContact CG-CB 3.94Å; E598-V629 HydrophobicContact CG-CG1 4.01Å; L599-V629 PolarHBondContact N-O 3.01Å; V629-E654 WeakPolarHBondContact CA-O 3.13Å; V629-E654 HydrophobicContact CG1-CB 4.27Å; V629-E654 HydrophobicContact CG1-CG 4.25Å; V629-E654 HydrophobicContact CG2-CB 4.22Å
630	L	98.3	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.4	174.7	177.9	60.5	0	0	0	109.7	L599 F621 L627 I632 L648 L652 E654 L655 R656	L599-L630 HydrophobicContact CB-CD1 4.2Å; L599-L630 HydrophobicContact CD2-CD1 4.01Å; L599-L630 HydrophobicContact CG-CD1 4.21Å; F621-L630 HydrophobicContact CD2-CD2 4.43Å; L627-L630 HydrophobicContact CD2-CB 4.14Å; L627-L630 HydrophobicContact CD2-CD1 4.25Å; L630-I632 HydrophobicContact CD1-CG2 3.79Å; L630-I632 HydrophobicContact CD2-CG2 4.35Å; L630-I632 HydrophobicContact CG-CG2 3.94Å; L630-L648 HydrophobicContact CD2-CD2 4.09Å; L630-L652 HydrophobicContact CB-CD1 4.44Å; L630-L652 HydrophobicContact CB-CD2 3.7Å; L630-L652 HydrophobicContact CD2-CD1 4.36Å; L630-E654 PolarHBondContact N-O 3.5Å; L630-L655 HydrophobicContact CB-CD1 4.12Å; L630-L655 HydrophobicContact CD2-CD1 3.99Å; L630-L655 HydrophobicContact CG-CD1 4.12Å; L630-R656 PolarHBondContact O-N 2.93Å
631	D	98.4	Very high	95.8	Very high	16 Å²	16	36.1 Å²	36.1	9%	0.086	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104.7	175.1	-164	-25	0	0	0	110.4	L599 F601 T602 S633 R656	L599-D631 PolarHBondContact O-N 3.43Å; F601-D631 CarbonylContact C-O 3.46Å; F601-D631 WeakPolarHBondContact CA-O 3.45Å; F601-D631 PolarHBondContact N-O 2.98Å; T602-D631 HydrophobicContact CG2-CB 4.13Å; T602-D631 VanDerWaalsContact CG2-CG 3.43Å; T602-D631 WeakPolarHBondContact CG2-OD1 3.5Å; D631-S633 VanDerWaalsContact OD1-CB 3.22Å; D631-S633 WeakPolarHBondContact OD1-CB 3.3Å; D631-S633 PolarHBondContact OD1-N 3.45Å; D631-S633 VanDerWaalsContact OD1-N 3.1Å; D631-S633 PolarHBondContact OD1-OG 3.02Å; D631-R656 HydrophobicContact CB-CB 4.36Å; D631-R656 WeakPolarHBondContact OD2-CD 3.26Å; D631-R656 IonicContact OD2-NH1 2.62Å; D631-R656 PolarHBondContact OD2-NH1 3.16Å
632	I	97.7	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-115.4	28.7	177.2	54.5	170.9	0	0	0	110.8	F601 L606 W610 L630 N635 I637 L655 R656 I657 N660	F601-I632 HydrophobicContact CB-CG2 4.3Å; L606-I632 HydrophobicContact CD2-CB 4.08Å; L606-I632 HydrophobicContact CD2-CD1 4.45Å; L606-I632 HydrophobicContact CD2-CG2 3.71Å; W610-I632 HydrophobicContact CH2-CD1 4.24Å; W610-I632 HydrophobicContact CZ3-CD1 4.1Å; L630-I632 HydrophobicContact CD1-CG2 3.79Å; L630-I632 HydrophobicContact CD2-CG2 4.35Å; L630-I632 HydrophobicContact CG-CG2 3.94Å; I632-N635 WeakPolarHBondContact O-CB 3.28Å; I632-N635 PolarHBondContact O-ND2 3.47Å; I632-I637 HydrophobicContact CB-CD1 4.43Å; I632-I637 HydrophobicContact CD1-CD1 4.02Å; I632-I637 HydrophobicContact CG1-CD1 4.44Å; I632-L655 HydrophobicContact CD1-CD1 4.33Å; I632-L655 HydrophobicContact CG1-CD1 4.41Å; I632-R656 CarbonylContact C-O 3.47Å; I632-R656 VanDerWaalsContact CG1-O 3.26Å; I632-R656 WeakPolarHBondContact CG1-O 3.18Å; I632-R656 PolarHBondContact N-O 2.63Å; I632-I657 HydrophobicContact CD1-CD1 4.36Å; I632-I657 HydrophobicContact CD1-CG1 4.08Å; I632-I657 HydrophobicContact CD1-CG2 4.07Å; I632-I657 HydrophobicContact CG1-CB 4.38Å; I632-I657 HydrophobicContact CG1-CG1 4.07Å; I632-I657 HydrophobicContact CG1-CG2 4.14Å; I632-N660 PolarHBondContact O-ND2 3.19Å
633	S	98	Very high	95.1	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.049	20%	0.203	C	C	.	.			trans	-62.6	156.3	172.8	62.1	0	0	0	0	112.2	T602 H603 D631 N635 R656 N658	T602-S633 WeakPolarHBondContact CA-O 3.29Å; T602-S633 WeakPolarHBondContact CG2-OG 3.3Å; H603-S633 PolarHBondContact N-O 2.84Å; D631-S633 VanDerWaalsContact OD1-CB 3.22Å; D631-S633 WeakPolarHBondContact OD1-CB 3.3Å; D631-S633 PolarHBondContact OD1-N 3.45Å; D631-S633 VanDerWaalsContact OD1-N 3.1Å; D631-S633 PolarHBondContact OD1-OG 3.02Å; S633-N635 PolarHBondContact O-N 2.91Å; S633-N635 PolarHBondContact O-ND2 3.48Å; S633-R656 PolarHBondContact N-O 2.92Å; S633-N658 WeakPolarHBondContact CA-O 3.43Å; S633-N658 WeakPolarHBondContact CB-O 3.38Å; S633-N658 WeakPolarHBondContact CB-OD1 3.32Å
634	W	97.7	Very high	94.9	Very high	124 Å²	124	37.8 Å²	37.8	47%	0.47	19%	0.19	S	C	.	.	S	Bend	trans	54.8	43.5	177.3	-61.2	93.6	0	0	0	114.6	H603 N658 N659	H603-W634 WeakPolarHBondContact CA-O 3.09Å; H603-W634 HydrophobicContact CB-CB 4.43Å; H603-W634 AromaticContact CE1-CD1 3.39Å; H603-W634 AromaticContact CE1-CD2 3.66Å; H603-W634 AromaticContact CE1-CE2 3.97Å; H603-W634 AromaticContact CE1-CG 3.28Å; H603-W634 AromaticContact CE1-NE1 3.78Å; H603-W634 PolarHBondContact N-O 3.33Å; H603-W634 VanDerWaalsContact N-O 3.15Å; H603-W634 AromaticContact ND1-CD1 3.87Å; H603-W634 AromaticContact ND1-CG 3.7Å; H603-W634 AromaticContact NE2-CD2 3.51Å; H603-W634 AromaticContact NE2-CE3 3.85Å; H603-W634 AromaticContact NE2-CG 3.53Å; W634-N658 PolarHBondContact N-O 3.31Å; W634-N659 VanDerWaalsContact CA-O 3.22Å; W634-N659 WeakPolarHBondContact CA-O 3.14Å; W634-N659 HydrophobicContact CD2-CB 3.43Å; W634-N659 VanDerWaalsContact CD2-CB 3.43Å; W634-N659 HydrophobicContact CE3-CB 3.99Å; W634-N659 HydrophobicContact CG-CB 3.77Å; W634-N659 HydrophobicContact CH2-CB 4.13Å; W634-N659 HydrophobicContact CZ2-CB 3.61Å; W634-N659 WeakPolarHBondContact CZ2-OD1 3.31Å; W634-N659 HydrophobicContact CZ3-CB 4.31Å; W634-N659 PolarHBondContact N-O 3.37Å; W634-N659 PolarHBondContact NE1-ND2 3.21Å
635	N	97.8	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-113.5	11.6	-175.8	-94.1	-81.5	0	0	0	115.1	F601 N604 L606 G607 I632 S633 I637 N660	F601-N635 PolarHBondContact O-ND2 3.4Å; N604-N635 WeakPolarHBondContact CA-OD1 3.34Å; N604-N635 WeakPolarHBondContact CB-OD1 3.44Å; N604-N635 WeakPolarHBondContact O-CA 3.42Å; N604-N635 PolarHBondContact O-OD1 3.19Å; L606-N635 HydrophobicContact CB-CB 3.81Å; L606-N635 VanDerWaalsContact CB-OD1 3.24Å; L606-N635 WeakPolarHBondContact CB-OD1 3.43Å; L606-N635 PolarHBondContact N-O 2.92Å; L606-N635 PolarHBondContact N-OD1 2.89Å; L606-N635 VanDerWaalsContact N-OD1 3.15Å; G607-N635 PolarHBondContact N-O 3Å; I632-N635 WeakPolarHBondContact O-CB 3.28Å; I632-N635 PolarHBondContact O-ND2 3.47Å; S633-N635 PolarHBondContact O-N 2.91Å; S633-N635 PolarHBondContact O-ND2 3.48Å; N635-I637 HydrophobicContact CB-CD1 3.8Å; N635-I637 HydrophobicContact CB-CG1 3.74Å; N635-I637 PolarHBondContact O-N 3.29Å; N635-N660 VanDerWaalsContact CA-OD1 3.32Å; N635-N660 WeakPolarHBondContact CA-OD1 3.21Å; N635-N660 PolarHBondContact N-OD1 3.25Å
636	D	96.1	Very high	94.5	Very high	49 Å²	49	39 Å²	39	26%	0.262	19%	0.191	S	C	.	.			trans	52.6	34.5	-174.6	-68.4	-54.4	0	0	0	113	K605 E638 N660 K661	K605-D636 WeakPolarHBondContact CD-OD2 2.99Å; K605-D636 IonicContact NZ-OD2 3.37Å; K605-D636 PolarHBondContact NZ-OD2 2.78Å; D636-E638 PolarHBondContact O-N 3.4Å; D636-N660 PolarHBondContact N-OD1 3.45Å; D636-N660 VanDerWaalsContact N-OD1 3.12Å; D636-K661 WeakPolarHBondContact OD1-CE 3.33Å; D636-K661 IonicContact OD1-NZ 3.93Å; D636-K661 PolarHBondContact OD1-NZ 3.41Å
637	I	95.4	Very high	94.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.			trans	-76.9	117.5	179.8	-57.5	168.8	0	0	0	108.9	L606 W610 I632 N635 I640 I657 N660 K661 M662	L606-I637 HydrophobicContact CB-CD1 4.47Å; L606-I637 HydrophobicContact CB-CG1 4.45Å; L606-I637 HydrophobicContact CD2-CD1 4.21Å; W610-I637 HydrophobicContact CZ3-CD1 4.25Å; I632-I637 HydrophobicContact CB-CD1 4.43Å; I632-I637 HydrophobicContact CD1-CD1 4.02Å; I632-I637 HydrophobicContact CG1-CD1 4.44Å; N635-I637 HydrophobicContact CB-CD1 3.8Å; N635-I637 HydrophobicContact CB-CG1 3.74Å; N635-I637 PolarHBondContact O-N 3.29Å; I637-I640 HydrophobicContact CG2-CG1 3.71Å; I637-I657 HydrophobicContact CD1-CG2 4.16Å; I637-N660 HydrophobicContact CB-CB 4.19Å; I637-N660 PolarHBondContact N-OD1 3.23Å; I637-K661 CarbonylContact O-C 3.58Å; I637-K661 VanDerWaalsContact O-C 3.24Å; I637-K661 WeakPolarHBondContact O-CA 2.99Å; I637-K661 PolarHBondContact O-N 3.33Å; I637-M662 HydrophobicContact CG2-CG 4.31Å; I637-M662 WeakPolarHBondContact O-CG 3.47Å; I637-M662 PolarHBondContact O-N 3.48Å
638	E	93.1	Very high	94.2	Very high	132 Å²	132	38.9 Å²	38.9	62%	0.617	19%	0.187	S	C	*	.	S	Bend	trans	-90.5	-42.2	174.5	-67.9	179.3	-171.5	0	0	112	D636 K661 M662	D636-E638 PolarHBondContact O-N 3.4Å; E638-K661 HydrophobicContact CG-CB 4.01Å; E638-M662 WeakPolarHBondContact O-CA 3.44Å
639	K	91.3	Very high	94	Very high	97 Å²	97	37.2 Å²	37.2	42%	0.422	18%	0.177	S	C	.	.			trans	-149.2	139.1	173.2	-177.9	171.2	179.6	172.5	0	109.1
640	I	91.9	Very high	93.6	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	20%	0.199	C	C	.	.			trans	-88.4	123.1	168.5	-59.1	176.4	0	0	0	107.1	W610 I637 V644 Y645 I657 M662	W610-I640 HydrophobicContact CE3-CG1 4.49Å; W610-I640 HydrophobicContact CZ3-CD1 4.47Å; W610-I640 HydrophobicContact CZ3-CG1 4.33Å; W610-I640 HydrophobicContact CZ3-CG2 4.5Å; I637-I640 HydrophobicContact CG2-CG1 3.71Å; I640-V644 HydrophobicContact CG2-CB 3.97Å; I640-V644 HydrophobicContact CG2-CG1 3.99Å; I640-Y645 HydrophobicContact CB-CE1 4.39Å; I640-Y645 HydrophobicContact CB-CE2 3.74Å; I640-Y645 HydrophobicContact CD1-CE1 4.18Å; I640-Y645 HydrophobicContact CG2-CD1 4.45Å; I640-Y645 HydrophobicContact CG2-CD2 3.96Å; I640-Y645 HydrophobicContact CG2-CE1 4.15Å; I640-Y645 HydrophobicContact CG2-CE2 3.62Å; I640-Y645 HydrophobicContact CG2-CG 4.38Å; I640-I657 HydrophobicContact CD1-CD1 3.91Å; I640-I657 HydrophobicContact CD1-CG2 4.47Å; I640-M662 HydrophobicContact CD1-CE 4.28Å; I640-M662 HydrophobicContact CG1-CE 4.24Å
641	P	90.5	Very high	93.4	Very high	16 Å²	16	46 Å²	46	10%	0.104	21%	0.212	C	C	.	.			trans	-59.5	142.1	176.2	-21.2	31.3	0	0	0	111.9	W610 D643 V644	W610-P641 HydrophobicContact CB-CG 4.49Å; P641-D643 VanDerWaalsContact C-N 3.26Å; P641-D643 PolarHBondContact O-N 2.93Å; P641-V644 HydrophobicContact CB-CG2 3.95Å; P641-V644 HydrophobicContact CG-CG2 4.02Å; P641-V644 VanDerWaalsContact O-CB 3.32Å; P641-V644 WeakPolarHBondContact O-CB 3.42Å; P641-V644 PolarHBondContact O-N 3.45Å
642	D	87.4	Confident	93.3	Very high	87 Å²	87	45.3 Å²	45.3	47%	0.465	21%	0.208	S	C	.	.	H	α-helix	trans	-60.2	-36.6	-171	-63.4	-45.7	0	0	0	112.9	V644 Y645 S666	D642-V644 VanDerWaalsContact C-N 3.26Å; D642-V644 PolarHBondContact O-N 3.37Å; D642-Y645 PolarHBondContact O-N 2.93Å; D642-S666 WeakPolarHBondContact OD1-CB 3.29Å; D642-S666 PolarHBondContact OD1-OG 3.28Å
643	D	88.1	Confident	93.2	Very high	48 Å²	48	47.3 Å²	47.3	26%	0.257	22%	0.221	S	C	.	.	H	α-helix	trans	-75.6	-11	178.6	74.3	-46.4	0	0	0	113.9	K618 P641 K647	K618-D643 WeakPolarHBondContact CD-OD2 2.87Å; K618-D643 VanDerWaalsContact CE-OD1 3.29Å; K618-D643 WeakPolarHBondContact CE-OD1 3.41Å; K618-D643 WeakPolarHBondContact CE-OD2 3.4Å; K618-D643 IonicContact NZ-OD1 2.76Å; K618-D643 PolarHBondContact NZ-OD1 3.42Å; K618-D643 IonicContact NZ-OD2 2.68Å; K618-D643 PolarHBondContact NZ-OD2 3.49Å; P641-D643 VanDerWaalsContact C-N 3.26Å; P641-D643 PolarHBondContact O-N 2.93Å; D643-K647 WeakPolarHBondContact O-CD 3.19Å; D643-K647 VanDerWaalsContact O-CG 3.31Å; D643-K647 WeakPolarHBondContact O-CG 2.93Å; D643-K647 IonicContact OD2-NZ 2.89Å; D643-K647 PolarHBondContact OD2-NZ 3.34Å
644	V	92.6	Very high	93.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-74.6	-36.4	171.1	174.8	0	0	0	0	110.6	W610 K618 I640 P641 D642 E646 K647 L648	W610-V644 HydrophobicContact CD2-CG1 4.26Å; W610-V644 HydrophobicContact CH2-CG1 4.11Å; W610-V644 HydrophobicContact CZ2-CG1 3.81Å; W610-V644 HydrophobicContact CZ3-CG1 4.48Å; K618-V644 HydrophobicContact CB-CG2 3.99Å; K618-V644 HydrophobicContact CD-CG2 4.37Å; K618-V644 HydrophobicContact CG-CG2 3.86Å; I640-V644 HydrophobicContact CG2-CB 3.97Å; I640-V644 HydrophobicContact CG2-CG1 3.99Å; P641-V644 HydrophobicContact CB-CG2 3.95Å; P641-V644 HydrophobicContact CG-CG2 4.02Å; P641-V644 VanDerWaalsContact O-CB 3.32Å; P641-V644 WeakPolarHBondContact O-CB 3.42Å; P641-V644 PolarHBondContact O-N 3.45Å; D642-V644 VanDerWaalsContact C-N 3.26Å; D642-V644 PolarHBondContact O-N 3.37Å; V644-E646 VanDerWaalsContact C-N 3.31Å; V644-E646 PolarHBondContact O-N 2.9Å; V644-K647 CarbonylContact O-C 3.13Å; V644-K647 PolarHBondContact O-N 2.9Å; V644-L648 HydrophobicContact CG1-CG 4.41Å; V644-L648 WeakPolarHBondContact O-CG 3.45Å; V644-L648 PolarHBondContact O-N 3.38Å; V644-L648 VanDerWaalsContact O-N 3.09Å
645	Y	90.4	Very high	93.1	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-41.1	178.7	-69.6	-81.2	0	0	0	112.4	I640 D642 K647 L648 F665 S669 F673	I640-Y645 HydrophobicContact CB-CE1 4.39Å; I640-Y645 HydrophobicContact CB-CE2 3.74Å; I640-Y645 HydrophobicContact CD1-CE1 4.18Å; I640-Y645 HydrophobicContact CG2-CD1 4.45Å; I640-Y645 HydrophobicContact CG2-CD2 3.96Å; I640-Y645 HydrophobicContact CG2-CE1 4.15Å; I640-Y645 HydrophobicContact CG2-CE2 3.62Å; I640-Y645 HydrophobicContact CG2-CG 4.38Å; D642-Y645 PolarHBondContact O-N 2.93Å; Y645-K647 PolarHBondContact O-N 3.29Å; Y645-L648 PolarHBondContact O-N 2.99Å; Y645-F665 AromaticContact CE1-CE2 3.92Å; Y645-F665 HydrophobicContact CE1-CE2 3.92Å; Y645-F665 HydrophobicContact CE1-CZ 4.16Å; Y645-F665 WeakPolarHBondContact OH-CD2 3.38Å; Y645-F665 WeakPolarHBondContact OH-CE2 3.46Å; Y645-S669 VanDerWaalsContact CG-CB 3.45Å; Y645-F673 HydrophobicContact CD1-CE2 4.13Å; Y645-F673 HydrophobicContact CD1-CZ 4.42Å
646	E	90.8	Very high	93.1	Very high	103 Å²	103	46 Å²	46	48%	0.481	22%	0.216	S	C	.	.	H	α-helix	trans	-62.8	-30.4	176.5	-170	-172.4	168.3	0	0	112.4	V644 Y672	V644-E646 VanDerWaalsContact C-N 3.31Å; V644-E646 PolarHBondContact O-N 2.9Å; E646-Y672 HydrophobicContact CB-CE1 4.39Å; E646-Y672 HydrophobicContact CB-CE2 4.38Å; E646-Y672 HydrophobicContact CG-CE1 4.08Å
647	K	93.3	Very high	93.2	Very high	62 Å²	62	43.7 Å²	43.7	27%	0.27	20%	0.203	S	C	.	.	H	α-helix	trans	-89.3	-11.1	-175.9	-69.8	167.8	-174.7	164.2	0	113.5	K618 T619 T622 D643 V644 Y645	K618-K647 HydrophobicContact CB-CD 3.97Å; K618-K647 WeakPolarHBondContact O-CB 3.32Å; K618-K647 WeakPolarHBondContact O-CD 3.31Å; T619-K647 HydrophobicContact CG2-CD 3.7Å; T619-K647 HydrophobicContact CG2-CG 4.23Å; T622-K647 VanDerWaalsContact CA-O 3.27Å; T622-K647 WeakPolarHBondContact CA-O 3Å; T622-K647 WeakPolarHBondContact CB-O 3.4Å; T622-K647 PolarHBondContact OG1-O 3.47Å; D643-K647 WeakPolarHBondContact O-CD 3.19Å; D643-K647 VanDerWaalsContact O-CG 3.31Å; D643-K647 WeakPolarHBondContact O-CG 2.93Å; D643-K647 IonicContact OD2-NZ 2.89Å; D643-K647 PolarHBondContact OD2-NZ 3.34Å; V644-K647 CarbonylContact O-C 3.13Å; V644-K647 PolarHBondContact O-N 2.9Å; Y645-K647 PolarHBondContact O-N 3.29Å
648	L	94.2	Very high	93.3	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	21%	0.209	C	C	.	.	S	Bend	trans	-72	154	176.2	-75.7	174.2	0	0	0	111.5	W610 F621 L630 V644 Y645 R650 F673	W610-L648 HydrophobicContact CH2-CD2 4.46Å; F621-L648 HydrophobicContact CB-CD2 4.3Å; F621-L648 HydrophobicContact CD2-CD2 3.87Å; L630-L648 HydrophobicContact CD2-CD2 4.09Å; V644-L648 HydrophobicContact CG1-CG 4.41Å; V644-L648 WeakPolarHBondContact O-CG 3.45Å; V644-L648 PolarHBondContact O-N 3.38Å; V644-L648 VanDerWaalsContact O-N 3.09Å; Y645-L648 PolarHBondContact O-N 2.99Å; L648-R650 PolarHBondContact O-N 2.88Å; L648-F673 HydrophobicContact CB-CE1 3.76Å; L648-F673 HydrophobicContact CB-CZ 3.87Å; L648-F673 HydrophobicContact CD1-CE1 4.48Å; L648-F673 HydrophobicContact CD1-CZ 3.91Å
649	P	93.7	Very high	93.5	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.052	19%	0.189	C	C	.	.			trans	-58.7	126.6	179.4	-27.4	37.2	0	0	0	113	F621 L624 L627 N651 L652	F621-P649 VanDerWaalsContact O-CG 3.31Å; F621-P649 WeakPolarHBondContact O-CG 3.2Å; L624-P649 HydrophobicContact CB-CG 4.32Å; L627-P649 HydrophobicContact CB-CB 4.08Å; L627-P649 HydrophobicContact CB-CG 4.1Å; L627-P649 HydrophobicContact CD2-CG 3.97Å; P649-N651 VanDerWaalsContact C-N 3.26Å; P649-N651 PolarHBondContact O-N 3.07Å; P649-L652 HydrophobicContact CB-CG 4.32Å; P649-L652 WeakPolarHBondContact O-CD1 3.13Å; P649-L652 WeakPolarHBondContact O-CG 3.43Å; P649-L652 PolarHBondContact O-N 2.97Å
650	R	89.8	Confident	93.8	Very high	153 Å²	153	36.1 Å²	36.1	58%	0.577	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.6	-177.2	-61.2	-177.4	-177.2	179.3	-1.4	114.2	L648 L652	L648-R650 PolarHBondContact O-N 2.88Å; R650-L652 VanDerWaalsContact C-N 3.26Å; R650-L652 PolarHBondContact O-N 2.87Å
651	N	92.9	Very high	94	Very high	51 Å²	51	40.9 Å²	40.9	27%	0.273	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	2.2	-180	-79	-22.5	0	0	0	113.7	T625 L627 P649 T653	T625-N651 PolarHBondContact O-ND2 2.79Å; L627-N651 CarbonylContact O-C 3.11Å; P649-N651 VanDerWaalsContact C-N 3.26Å; P649-N651 PolarHBondContact O-N 3.07Å; N651-T653 PolarHBondContact O-N 3.36Å
652	L	95.6	Very high	94.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.			trans	-58.1	130	-179.7	-72.1	173.4	0	0	0	111.8	L627 L630 P649 R650 F673 R675 L676	L627-L652 HydrophobicContact CD2-CD2 4.13Å; L627-L652 HydrophobicContact CG-CD2 4.11Å; L630-L652 HydrophobicContact CB-CD1 4.44Å; L630-L652 HydrophobicContact CB-CD2 3.7Å; L630-L652 HydrophobicContact CD2-CD1 4.36Å; P649-L652 HydrophobicContact CB-CG 4.32Å; P649-L652 WeakPolarHBondContact O-CD1 3.13Å; P649-L652 WeakPolarHBondContact O-CG 3.43Å; P649-L652 PolarHBondContact O-N 2.97Å; R650-L652 VanDerWaalsContact C-N 3.26Å; R650-L652 PolarHBondContact O-N 2.87Å; L652-F673 HydrophobicContact CB-CD1 4.34Å; L652-F673 HydrophobicContact CD1-CD1 4.21Å; L652-F673 HydrophobicContact CD1-CE1 3.93Å; L652-R675 CarbonylContact O-C 3.09Å; L652-R675 VanDerWaalsContact O-C 3.26Å; L652-L676 HydrophobicContact CB-CD1 4.47Å; L652-L676 WeakPolarHBondContact O-CA 3.26Å; L652-L676 PolarHBondContact O-N 2.96Å
653	T	96.2	Very high	94.3	Very high	43 Å²	43	40.1 Å²	40.1	26%	0.264	19%	0.19	S	C	.	.	S	Bend	trans	-108.6	-27.1	173.8	63.1	0	0	0	0	111.6	T628 N651 R675 K677 I678	T628-T653 PolarHBondContact O-N 3.33Å; T628-T653 PolarHBondContact O-OG1 3.45Å; N651-T653 PolarHBondContact O-N 3.36Å; T653-R675 WeakPolarHBondContact CA-O 3.26Å; T653-R675 HydrophobicContact CG2-CB 4.33Å; T653-K677 PolarHBondContact O-N 2.01Å; T653-I678 PolarHBondContact O-N 2.76Å
654	E	97.5	Very high	94.3	Very high	29 Å²	29	41.3 Å²	41.3	14%	0.136	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.2	177.8	177	162.1	-156.2	0	0	110.3	T628 V629 L630 R656 I678	T628-E654 PolarHBondContact O-N 3.44Å; V629-E654 WeakPolarHBondContact CA-O 3.13Å; V629-E654 HydrophobicContact CG1-CB 4.27Å; V629-E654 HydrophobicContact CG1-CG 4.25Å; V629-E654 HydrophobicContact CG2-CB 4.22Å; L630-E654 PolarHBondContact N-O 3.5Å; E654-R656 HydrophobicContact CG-CG 4.13Å; E654-R656 IonicContact OE1-CZ 3.27Å; E654-R656 IonicContact OE1-NE 3.05Å; E654-R656 PolarHBondContact OE1-NE 3.37Å; E654-R656 IonicContact OE1-NH2 2.9Å; E654-R656 PolarHBondContact OE1-NH2 3.34Å; E654-R656 IonicContact OE2-NH2 3.62Å; E654-R656 PolarHBondContact OE2-NH2 2.99Å; E654-I678 WeakPolarHBondContact CA-O 3.35Å; E654-I678 HydrophobicContact CB-CB 4.16Å; E654-I678 HydrophobicContact CG-CB 3.92Å; E654-I678 HydrophobicContact CG-CD1 4.44Å; E654-I678 HydrophobicContact CG-CG2 4.02Å
655	L	97	Very high	94.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.6	176.3	-179.7	58.2	0	0	0	108.9	L630 I632 I657 L676 I678 L679 D680	L630-L655 HydrophobicContact CB-CD1 4.12Å; L630-L655 HydrophobicContact CD2-CD1 3.99Å; L630-L655 HydrophobicContact CG-CD1 4.12Å; I632-L655 HydrophobicContact CD1-CD1 4.33Å; I632-L655 HydrophobicContact CG1-CD1 4.41Å; L655-I657 HydrophobicContact CD1-CD1 4.29Å; L655-I657 HydrophobicContact CD1-CG1 4.09Å; L655-I657 HydrophobicContact CD2-CD1 3.83Å; L655-I657 HydrophobicContact CD2-CG1 4.37Å; L655-I657 HydrophobicContact CG-CD1 3.85Å; L655-I657 HydrophobicContact CG-CG1 3.81Å; L655-L676 HydrophobicContact CB-CD1 3.76Å; L655-I678 PolarHBondContact N-O 3.26Å; L655-L679 HydrophobicContact CB-CD1 4.26Å; L655-L679 HydrophobicContact CD2-CD1 4.26Å; L655-L679 HydrophobicContact CG-CD1 4.27Å; L655-L679 WeakPolarHBondContact O-CA 3.18Å; L655-D680 PolarHBondContact O-N 3.26Å
656	R	98.1	Very high	94	Very high	74 Å²	74	42.5 Å²	42.5	28%	0.279	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120	177.5	-58.9	-175.8	-171.4	141.6	3.5	110	L630 D631 I632 S633 E654 D680	L630-R656 PolarHBondContact O-N 2.93Å; D631-R656 HydrophobicContact CB-CB 4.36Å; D631-R656 WeakPolarHBondContact OD2-CD 3.26Å; D631-R656 IonicContact OD2-NH1 2.62Å; D631-R656 PolarHBondContact OD2-NH1 3.16Å; I632-R656 CarbonylContact C-O 3.47Å; I632-R656 VanDerWaalsContact CG1-O 3.26Å; I632-R656 WeakPolarHBondContact CG1-O 3.18Å; I632-R656 PolarHBondContact N-O 2.63Å; S633-R656 PolarHBondContact N-O 2.92Å; E654-R656 HydrophobicContact CG-CG 4.13Å; E654-R656 IonicContact OE1-CZ 3.27Å; E654-R656 IonicContact OE1-NE 3.05Å; E654-R656 PolarHBondContact OE1-NE 3.37Å; E654-R656 IonicContact OE1-NH2 2.9Å; E654-R656 PolarHBondContact OE1-NH2 3.34Å; E654-R656 IonicContact OE2-NH2 3.62Å; E654-R656 PolarHBondContact OE2-NH2 2.99Å; R656-D680 HydrophobicContact CB-CB 4.41Å; R656-D680 HydrophobicContact CG-CB 4.22Å
657	I	96.6	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.			trans	-130.3	20.1	-179.6	-31.6	-180	0	0	0	109.9	I632 I637 I640 L655 N660 M662 F665 D680 L681 N684	I632-I657 HydrophobicContact CD1-CD1 4.36Å; I632-I657 HydrophobicContact CD1-CG1 4.08Å; I632-I657 HydrophobicContact CD1-CG2 4.07Å; I632-I657 HydrophobicContact CG1-CB 4.38Å; I632-I657 HydrophobicContact CG1-CG1 4.07Å; I632-I657 HydrophobicContact CG1-CG2 4.14Å; I637-I657 HydrophobicContact CD1-CG2 4.16Å; I640-I657 HydrophobicContact CD1-CD1 3.91Å; I640-I657 HydrophobicContact CD1-CG2 4.47Å; L655-I657 HydrophobicContact CD1-CD1 4.29Å; L655-I657 HydrophobicContact CD1-CG1 4.09Å; L655-I657 HydrophobicContact CD2-CD1 3.83Å; L655-I657 HydrophobicContact CD2-CG1 4.37Å; L655-I657 HydrophobicContact CG-CD1 3.85Å; L655-I657 HydrophobicContact CG-CG1 3.81Å; I657-N660 PolarHBondContact O-ND2 3.46Å; I657-M662 HydrophobicContact CB-SD 4.43Å; I657-M662 HydrophobicContact CG2-SD 3.62Å; I657-F665 HydrophobicContact CD1-CE2 4.29Å; I657-D680 CarbonylContact C-O 3.04Å; I657-D680 PolarHBondContact N-O 3.21Å; I657-L681 HydrophobicContact CB-CD2 4.13Å; I657-L681 HydrophobicContact CD1-CD2 4.26Å; I657-L681 HydrophobicContact CG1-CD2 4.5Å; I657-N684 PolarHBondContact O-ND2 3.15Å
658	N	97.6	Very high	93.1	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.123	20%	0.195	C	C	.	.			trans	-67.9	160.9	-179.9	60	-54.6	0	0	0	112.7	S633 W634 N660 D680 S682	S633-N658 WeakPolarHBondContact CA-O 3.43Å; S633-N658 WeakPolarHBondContact CB-O 3.38Å; S633-N658 WeakPolarHBondContact CB-OD1 3.32Å; W634-N658 PolarHBondContact N-O 3.31Å; N658-N660 VanDerWaalsContact C-N 3.3Å; N658-N660 PolarHBondContact O-N 3.22Å; N658-N660 PolarHBondContact O-ND2 3.15Å; N658-D680 PolarHBondContact N-O 3.42Å; N658-S682 CarbonylContact C-O 3.58Å; N658-S682 WeakPolarHBondContact CA-O 3.16Å; N658-S682 WeakPolarHBondContact CB-O 3.45Å
659	N	97.8	Very high	92.7	Very high	34 Å²	34	39.6 Å²	39.6	18%	0.182	20%	0.196	C	C	.	.	S	Bend	trans	54.3	43.7	-177.9	-61.1	-85.9	0	0	0	113	W634 S682 Y683	W634-N659 VanDerWaalsContact CA-O 3.22Å; W634-N659 WeakPolarHBondContact CA-O 3.14Å; W634-N659 HydrophobicContact CD2-CB 3.43Å; W634-N659 VanDerWaalsContact CD2-CB 3.43Å; W634-N659 HydrophobicContact CE3-CB 3.99Å; W634-N659 HydrophobicContact CG-CB 3.77Å; W634-N659 HydrophobicContact CH2-CB 4.13Å; W634-N659 HydrophobicContact CZ2-CB 3.61Å; W634-N659 WeakPolarHBondContact CZ2-OD1 3.31Å; W634-N659 HydrophobicContact CZ3-CB 4.31Å; W634-N659 PolarHBondContact N-O 3.37Å; W634-N659 PolarHBondContact NE1-ND2 3.21Å; N659-S682 PolarHBondContact N-O 3.04Å; N659-Y683 WeakPolarHBondContact CA-O 3.28Å; N659-Y683 PolarHBondContact N-O 2.8Å; N659-Y683 VanDerWaalsContact OD1-CB 3.27Å; N659-Y683 WeakPolarHBondContact OD1-CB 3.48Å
660	N	97.7	Very high	92.3	Very high	12 Å²	12	39.4 Å²	39.4	6%	0.064	19%	0.194	C	C	.	.	S	Bend	trans	-111.3	-165.1	171.5	-84	-68.8	0	0	0	109.4	I632 N635 D636 I637 I657 N658 M662 Y683 N684	I632-N660 PolarHBondContact O-ND2 3.19Å; N635-N660 VanDerWaalsContact CA-OD1 3.32Å; N635-N660 WeakPolarHBondContact CA-OD1 3.21Å; N635-N660 PolarHBondContact N-OD1 3.25Å; D636-N660 PolarHBondContact N-OD1 3.45Å; D636-N660 VanDerWaalsContact N-OD1 3.12Å; I637-N660 HydrophobicContact CB-CB 4.19Å; I637-N660 PolarHBondContact N-OD1 3.23Å; I657-N660 PolarHBondContact O-ND2 3.46Å; N658-N660 VanDerWaalsContact C-N 3.3Å; N658-N660 PolarHBondContact O-N 3.22Å; N658-N660 PolarHBondContact O-ND2 3.15Å; N660-M662 HydrophobicContact CB-CG 4.18Å; N660-Y683 PolarHBondContact N-O 3.17Å; N660-N684 VanDerWaalsContact CA-OD1 3.25Å; N660-N684 WeakPolarHBondContact CA-OD1 3.49Å; N660-N684 WeakPolarHBondContact CB-OD1 3.33Å; N660-N684 PolarHBondContact N-OD1 2.75Å; N660-N684 PolarHBondContact O-OD1 2.91Å
661	K	95.6	Very high	92	Very high	103 Å²	103	34.7 Å²	34.7	45%	0.448	19%	0.185	S	C	.	.			trans	-114.7	26.5	-179.6	-64.8	176.9	-179.4	160.6	0	111.2	D636 I637 E638 T663 N684	D636-K661 WeakPolarHBondContact OD1-CE 3.33Å; D636-K661 IonicContact OD1-NZ 3.93Å; D636-K661 PolarHBondContact OD1-NZ 3.41Å; I637-K661 CarbonylContact O-C 3.58Å; I637-K661 VanDerWaalsContact O-C 3.24Å; I637-K661 WeakPolarHBondContact O-CA 2.99Å; I637-K661 PolarHBondContact O-N 3.33Å; E638-K661 HydrophobicContact CG-CB 4.01Å; K661-T663 PolarHBondContact O-N 2.05Å; K661-N684 PolarHBondContact N-OD1 3.01Å
662	M	94.1	Very high	91.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.			trans	-67.3	125.1	-172.8	-61.2	-171	67.7	0	0	110.5	I637 E638 I640 I657 N660 D664 F665 L681 N684 S685 L686	I637-M662 HydrophobicContact CG2-CG 4.31Å; I637-M662 WeakPolarHBondContact O-CG 3.47Å; I637-M662 PolarHBondContact O-N 3.48Å; E638-M662 WeakPolarHBondContact O-CA 3.44Å; I640-M662 HydrophobicContact CD1-CE 4.28Å; I640-M662 HydrophobicContact CG1-CE 4.24Å; I657-M662 HydrophobicContact CB-SD 4.43Å; I657-M662 HydrophobicContact CG2-SD 3.62Å; N660-M662 HydrophobicContact CB-CG 4.18Å; M662-D664 WeakPolarHBondContact CE-O 3.35Å; M662-F665 HydrophobicContact CE-CB 4.44Å; M662-F665 HydrophobicContact CE-CD2 3.76Å; M662-L681 HydrophobicContact SD-CD2 4.21Å; M662-N684 HydrophobicContact CB-CB 4.21Å; M662-N684 WeakPolarHBondContact CB-OD1 3.36Å; M662-N684 WeakPolarHBondContact CG-OD1 2.88Å; M662-N684 PolarHBondContact N-OD1 3.24Å; M662-S685 CarbonylContact O-C 3.46Å; M662-S685 VanDerWaalsContact O-CA 3.25Å; M662-S685 WeakPolarHBondContact O-CA 2.97Å; M662-S685 WeakPolarHBondContact O-CB 3.45Å; M662-S685 PolarHBondContact O-N 2.85Å; M662-L686 HydrophobicContact CB-CD2 4.04Å; M662-L686 PolarHBondContact O-N 2.82Å
663	T	91.2	Very high	91.4	Very high	86 Å²	86	36.3 Å²	36.3	53%	0.528	19%	0.188	S	C	.	.	S	Bend	trans	-97.7	-24.5	174.1	52.6	0	0	0	0	112.3	K661	K661-T663 PolarHBondContact O-N 2.05Å
664	D	86.9	Confident	91	Very high	74 Å²	74	41.2 Å²	41.2	40%	0.396	21%	0.207	S	C	.	.			trans	-143.8	154.8	-179.7	-171.6	21.2	0	0	0	110.6	M662	M662-D664 WeakPolarHBondContact CE-O 3.35Å
665	F	89	Confident	90.7	Very high	4 Å²	4	47 Å²	47	2%	0.018	23%	0.228	C	C	.	.			trans	-137.7	125.2	178.5	-177.6	-93.5	0	0	0	109.9	Y645 I657 M662 W667 L670 L679 L681 L686	Y645-F665 AromaticContact CE1-CE2 3.92Å; Y645-F665 HydrophobicContact CE1-CE2 3.92Å; Y645-F665 HydrophobicContact CE1-CZ 4.16Å; Y645-F665 WeakPolarHBondContact OH-CD2 3.38Å; Y645-F665 WeakPolarHBondContact OH-CE2 3.46Å; I657-F665 HydrophobicContact CD1-CE2 4.29Å; M662-F665 HydrophobicContact CE-CB 4.44Å; M662-F665 HydrophobicContact CE-CD2 3.76Å; F665-W667 VanDerWaalsContact C-N 3.33Å; F665-W667 AromaticContact CD1-CD2 3.58Å; F665-W667 HydrophobicContact CD1-CD2 3.58Å; F665-W667 AromaticContact CD1-CE2 3.8Å; F665-W667 AromaticContact CD1-CE3 3.81Å; F665-W667 HydrophobicContact CD1-CE3 3.81Å; F665-W667 AromaticContact CD1-CG 3.94Å; F665-W667 HydrophobicContact CD1-CG 3.94Å; F665-W667 HydrophobicContact CD1-CH2 4.42Å; F665-W667 HydrophobicContact CD1-CZ2 4.21Å; F665-W667 HydrophobicContact CD1-CZ3 4.24Å; F665-W667 HydrophobicContact CE1-CD2 4.16Å; F665-W667 AromaticContact CE1-CE3 3.96Å; F665-W667 HydrophobicContact CE1-CE3 3.96Å; F665-W667 HydrophobicContact CE1-CZ3 4.37Å; F665-W667 PolarHBondContact O-N 3.14Å; F665-W667 PolarHBondContact O-NE1 3.49Å; F665-L670 HydrophobicContact CE1-CD1 4.23Å; F665-L670 HydrophobicContact CE1-CD2 3.94Å; F665-L670 HydrophobicContact CE1-CG 3.95Å; F665-L670 HydrophobicContact CZ-CD2 3.85Å; F665-L670 HydrophobicContact CZ-CG 4.35Å; F665-L679 HydrophobicContact CE1-CD2 4.49Å; F665-L679 HydrophobicContact CZ-CD2 4.31Å; F665-L681 HydrophobicContact CD1-CD1 4.46Å; F665-L681 HydrophobicContact CD2-CD1 4.22Å; F665-L681 HydrophobicContact CD2-CD2 3.95Å; F665-L681 HydrophobicContact CE2-CD1 4.44Å; F665-L681 HydrophobicContact CE2-CD2 4.2Å; F665-L681 HydrophobicContact CG-CD1 4.25Å; F665-L686 HydrophobicContact CB-CD2 4.17Å
666	S	87.7	Confident	90.6	Very high	24 Å²	24	47 Å²	47	17%	0.168	23%	0.228	C	C	.	.			trans	-72.7	83.7	178.2	-50.6	0	0	0	0	110.4	D642 D668 S669	D642-S666 WeakPolarHBondContact OD1-CB 3.29Å; D642-S666 PolarHBondContact OD1-OG 3.28Å; S666-D668 PolarHBondContact O-N 3.29Å; S666-S669 WeakPolarHBondContact CB-OG 3.49Å; S666-S669 VanDerWaalsContact O-CB 3.22Å; S666-S669 WeakPolarHBondContact O-CB 3.4Å; S666-S669 PolarHBondContact O-N 3.16Å; S666-S669 PolarHBondContact O-OG 3.03Å
667	W	84.7	Confident	90.4	Very high	11 Å²	11	49.1 Å²	49.1	4%	0.042	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.2	-31.6	-176.8	-64.1	96.8	0	0	0	113.5	F665 S669 L670 L681 I689 I692 L703 L705 Y717 M721	F665-W667 VanDerWaalsContact C-N 3.33Å; F665-W667 AromaticContact CD1-CD2 3.58Å; F665-W667 HydrophobicContact CD1-CD2 3.58Å; F665-W667 AromaticContact CD1-CE2 3.8Å; F665-W667 AromaticContact CD1-CE3 3.81Å; F665-W667 HydrophobicContact CD1-CE3 3.81Å; F665-W667 AromaticContact CD1-CG 3.94Å; F665-W667 HydrophobicContact CD1-CG 3.94Å; F665-W667 HydrophobicContact CD1-CH2 4.42Å; F665-W667 HydrophobicContact CD1-CZ2 4.21Å; F665-W667 HydrophobicContact CD1-CZ3 4.24Å; F665-W667 HydrophobicContact CE1-CD2 4.16Å; F665-W667 AromaticContact CE1-CE3 3.96Å; F665-W667 HydrophobicContact CE1-CE3 3.96Å; F665-W667 HydrophobicContact CE1-CZ3 4.37Å; F665-W667 PolarHBondContact O-N 3.14Å; F665-W667 PolarHBondContact O-NE1 3.49Å; W667-S669 PolarHBondContact O-N 3.09Å; W667-L670 HydrophobicContact CE3-CD1 3.81Å; W667-L670 HydrophobicContact CZ3-CD1 4.3Å; W667-L670 WeakPolarHBondContact O-CB 3.48Å; W667-L670 WeakPolarHBondContact O-CG 3.32Å; W667-L670 PolarHBondContact O-N 2.74Å; W667-L681 HydrophobicContact CH2-CD1 3.94Å; W667-L681 HydrophobicContact CZ2-CD1 4.48Å; W667-L681 HydrophobicContact CZ3-CD1 4.47Å; W667-I689 HydrophobicContact CD2-CG2 4.47Å; W667-I689 HydrophobicContact CH2-CG2 4.36Å; W667-I689 HydrophobicContact CZ2-CG2 3.65Å; W667-I692 HydrophobicContact CB-CD1 4.48Å; W667-I692 HydrophobicContact CB-CG1 4.06Å; W667-I692 HydrophobicContact CE3-CD1 4.33Å; W667-L703 HydrophobicContact CZ3-CD1 4.45Å; W667-L703 HydrophobicContact CZ3-CD2 4.46Å; W667-L705 HydrophobicContact CH2-CD1 4.35Å; W667-L705 HydrophobicContact CH2-CD2 4.14Å; W667-Y717 WeakPolarHBondContact CZ3-OH 3.49Å; W667-M721 HydrophobicContact CZ3-CE 4.42Å
668	D	81.4	Confident	90.3	Very high	91 Å²	91	51 Å²	51	49%	0.487	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60	-30.2	176.4	-70.5	-22	0	0	0	113.2	S666 L670 S671 V695	S666-D668 PolarHBondContact O-N 3.29Å; D668-L670 PolarHBondContact O-N 3.47Å; D668-S671 WeakPolarHBondContact O-CB 3.44Å; D668-S671 PolarHBondContact O-N 3.15Å; D668-S671 PolarHBondContact O-OG 3.36Å; D668-V695 HydrophobicContact CB-CG2 4.35Å
669	S	84.9	Confident	90.2	Very high	10 Å²	10	49.9 Å²	49.9	7%	0.07	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-69.4	-11.5	178.2	-57.4	0	0	0	0	113.4	Y645 S666 W667 S671 Y672	Y645-S669 VanDerWaalsContact CG-CB 3.45Å; S666-S669 WeakPolarHBondContact CB-OG 3.49Å; S666-S669 VanDerWaalsContact O-CB 3.22Å; S666-S669 WeakPolarHBondContact O-CB 3.4Å; S666-S669 PolarHBondContact O-N 3.16Å; S666-S669 PolarHBondContact O-OG 3.03Å; W667-S669 PolarHBondContact O-N 3.09Å; S669-S671 PolarHBondContact O-N 2.88Å; S669-Y672 VanDerWaalsContact O-CD2 3.24Å; S669-Y672 WeakPolarHBondContact O-CD2 3.36Å; S669-Y672 PolarHBondContact O-N 2.8Å
670	L	85.3	Confident	90.2	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-64.4	-20.8	172.5	-67.7	179.1	0	0	0	112.7	F665 W667 D668 Y672 F673 L676 L679	F665-L670 HydrophobicContact CE1-CD1 4.23Å; F665-L670 HydrophobicContact CE1-CD2 3.94Å; F665-L670 HydrophobicContact CE1-CG 3.95Å; F665-L670 HydrophobicContact CZ-CD2 3.85Å; F665-L670 HydrophobicContact CZ-CG 4.35Å; W667-L670 HydrophobicContact CE3-CD1 3.81Å; W667-L670 HydrophobicContact CZ3-CD1 4.3Å; W667-L670 WeakPolarHBondContact O-CB 3.48Å; W667-L670 WeakPolarHBondContact O-CG 3.32Å; W667-L670 PolarHBondContact O-N 2.74Å; D668-L670 PolarHBondContact O-N 3.47Å; L670-Y672 PolarHBondContact O-N 3.11Å; L670-Y672 VanDerWaalsContact O-N 3.15Å; L670-F673 HydrophobicContact CD2-CD2 4.46Å; L670-F673 PolarHBondContact O-N 3.24Å; L670-L676 HydrophobicContact CD2-CD2 4.06Å; L670-L679 HydrophobicContact CD1-CD2 4.38Å; L670-L679 HydrophobicContact CD2-CD2 3.98Å
671	S	83.8	Confident	90.2	Very high	53 Å²	53	49 Å²	49	37%	0.371	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56.8	-25.9	174.7	59.7	0	0	0	0	113.2	D668 S669 F673 H674	D668-S671 WeakPolarHBondContact O-CB 3.44Å; D668-S671 PolarHBondContact O-N 3.15Å; D668-S671 PolarHBondContact O-OG 3.36Å; S669-S671 PolarHBondContact O-N 2.88Å; S671-F673 VanDerWaalsContact C-N 3.32Å; S671-F673 PolarHBondContact O-N 3.08Å; S671-H674 PolarHBondContact O-CE1 2.96Å; S671-H674 PolarHBondContact O-ND1 2.88Å
672	Y	86.8	Confident	90.3	Very high	84 Å²	84	44.5 Å²	44.5	33%	0.329	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-73.8	-17.6	177.4	-61.7	-62	0	0	0	113.9	E646 S669 L670	E646-Y672 HydrophobicContact CB-CE1 4.39Å; E646-Y672 HydrophobicContact CB-CE2 4.38Å; E646-Y672 HydrophobicContact CG-CE1 4.08Å; S669-Y672 VanDerWaalsContact O-CD2 3.24Å; S669-Y672 WeakPolarHBondContact O-CD2 3.36Å; S669-Y672 PolarHBondContact O-N 2.8Å; L670-Y672 PolarHBondContact O-N 3.11Å; L670-Y672 VanDerWaalsContact O-N 3.15Å
673	F	89.6	Confident	90.4	Very high	2 Å²	2	50 Å²	50	1%	0.009	24%	0.241	C	C	.	.			trans	-111.4	75.1	-173.6	-51.4	-71.7	0	0	0	113.1	Y645 L648 L652 L670 S671 R675 L676	Y645-F673 HydrophobicContact CD1-CE2 4.13Å; Y645-F673 HydrophobicContact CD1-CZ 4.42Å; L648-F673 HydrophobicContact CB-CE1 3.76Å; L648-F673 HydrophobicContact CB-CZ 3.87Å; L648-F673 HydrophobicContact CD1-CE1 4.48Å; L648-F673 HydrophobicContact CD1-CZ 3.91Å; L652-F673 HydrophobicContact CB-CD1 4.34Å; L652-F673 HydrophobicContact CD1-CD1 4.21Å; L652-F673 HydrophobicContact CD1-CE1 3.93Å; L670-F673 HydrophobicContact CD2-CD2 4.46Å; L670-F673 PolarHBondContact O-N 3.24Å; S671-F673 VanDerWaalsContact C-N 3.32Å; S671-F673 PolarHBondContact O-N 3.08Å; F673-R675 PolarHBondContact O-N 2.82Å; F673-R675 VanDerWaalsContact O-N 3.09Å; F673-L676 HydrophobicContact CB-CB 3.8Å; F673-L676 HydrophobicContact CB-CD2 4.3Å; F673-L676 PolarHBondContact O-N 3.05Å
674	H	87.8	Confident	90.7	Very high	146 Å²	146	46.2 Å²	46.2	68%	0.676	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.1	-175	-53.2	-55.7	0	0	0	116	S671 S699	S671-H674 PolarHBondContact O-CE1 2.96Å; S671-H674 PolarHBondContact O-ND1 2.88Å; H674-S699 WeakPolarHBondContact O-CB 3.44Å; H674-S699 PolarHBondContact O-OG 3.2Å
675	R	92.1	Very high	91.1	Very high	151 Å²	151	45.3 Å²	45.3	57%	0.57	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	1.5	-178.5	-66	-176.5	175.1	-173.9	-0.5	113.2	L652 T653 F673 K677	L652-R675 CarbonylContact O-C 3.09Å; L652-R675 VanDerWaalsContact O-C 3.26Å; T653-R675 WeakPolarHBondContact CA-O 3.26Å; T653-R675 HydrophobicContact CG2-CB 4.33Å; F673-R675 PolarHBondContact O-N 2.82Å; F673-R675 VanDerWaalsContact O-N 3.09Å; R675-K677 PolarHBondContact O-N 2.91Å
676	L	93.2	Very high	91.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.217	C	C	.	.			trans	-67.9	120.2	-174.3	-168.9	69.4	0	0	0	110.2	L652 L655 L670 F673 I678 L679 S699 L700	L652-L676 HydrophobicContact CB-CD1 4.47Å; L652-L676 WeakPolarHBondContact O-CA 3.26Å; L652-L676 PolarHBondContact O-N 2.96Å; L655-L676 HydrophobicContact CB-CD1 3.76Å; L670-L676 HydrophobicContact CD2-CD2 4.06Å; F673-L676 HydrophobicContact CB-CB 3.8Å; F673-L676 HydrophobicContact CB-CD2 4.3Å; F673-L676 PolarHBondContact O-N 3.05Å; L676-I678 WeakPolarHBondContact CD1-O 3.43Å; L676-L679 HydrophobicContact CD2-CB 4.32Å; L676-S699 PolarHBondContact N-OG 2.9Å; L676-S699 CarbonylContact O-C 3.56Å; L676-S699 VanDerWaalsContact O-CB 3.32Å; L676-S699 WeakPolarHBondContact O-CB 3.46Å; L676-S699 PolarHBondContact O-OG 2.9Å; L676-L700 HydrophobicContact CD2-CD1 4.27Å; L676-L700 HydrophobicContact CG-CD1 4.17Å; L676-L700 VanDerWaalsContact O-CA 3.3Å; L676-L700 WeakPolarHBondContact O-CA 3.32Å; L676-L700 PolarHBondContact O-N 3.34Å
677	K	94.1	Very high	91.4	Very high	118 Å²	118	47 Å²	47	51%	0.513	23%	0.229	S	C	.	.			trans	-106.8	-36.8	180	-70.8	-175.4	-179.4	-176.8	0	112.1	T653 R675 T701 F702	T653-K677 PolarHBondContact O-N 2.01Å; R675-K677 PolarHBondContact O-N 2.91Å; K677-T701 WeakPolarHBondContact CB-OG1 3.35Å; K677-T701 PolarHBondContact O-N 3.06Å; K677-T701 PolarHBondContact O-OG1 2.86Å; K677-F702 PolarHBondContact O-N 3.05Å
678	I	96.1	Very high	91	Very high	39 Å²	39	49.5 Å²	49.5	20%	0.2	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.5	-176.8	-58.9	171.8	0	0	0	108.9	T653 E654 L655 L676 F702 Y704	T653-I678 PolarHBondContact O-N 2.76Å; E654-I678 WeakPolarHBondContact CA-O 3.35Å; E654-I678 HydrophobicContact CB-CB 4.16Å; E654-I678 HydrophobicContact CG-CB 3.92Å; E654-I678 HydrophobicContact CG-CD1 4.44Å; E654-I678 HydrophobicContact CG-CG2 4.02Å; L655-I678 PolarHBondContact N-O 3.26Å; L676-I678 WeakPolarHBondContact CD1-O 3.43Å; I678-F702 HydrophobicContact CD1-CD2 4.46Å; I678-F702 HydrophobicContact CG1-CB 4.13Å; I678-F702 HydrophobicContact CG1-CD2 3.78Å; I678-F702 HydrophobicContact CG1-CG 4.28Å; I678-F702 HydrophobicContact CG2-CB 4.42Å; I678-Y704 HydrophobicContact CG2-CD2 4.45Å; I678-Y704 HydrophobicContact CG2-CE2 4.11Å
679	L	95.4	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.2	169.7	178.9	59.4	0	0	0	109	L655 F665 L670 L676 L681 L700 F702 L703 Y704	L655-L679 HydrophobicContact CB-CD1 4.26Å; L655-L679 HydrophobicContact CD2-CD1 4.26Å; L655-L679 HydrophobicContact CG-CD1 4.27Å; L655-L679 WeakPolarHBondContact O-CA 3.18Å; F665-L679 HydrophobicContact CE1-CD2 4.49Å; F665-L679 HydrophobicContact CZ-CD2 4.31Å; L670-L679 HydrophobicContact CD1-CD2 4.38Å; L670-L679 HydrophobicContact CD2-CD2 3.98Å; L676-L679 HydrophobicContact CD2-CB 4.32Å; L679-L681 HydrophobicContact CD1-CD1 4.42Å; L679-L681 HydrophobicContact CD1-CG 4.18Å; L679-L681 HydrophobicContact CD2-CD1 3.87Å; L679-L681 HydrophobicContact CD2-CG 4.47Å; L679-L681 HydrophobicContact CG-CD1 4.02Å; L679-L681 HydrophobicContact CG-CG 4.09Å; L679-L700 HydrophobicContact CB-CD1 3.81Å; L679-F702 PolarHBondContact N-O 2.8Å; L679-L703 HydrophobicContact CB-CD1 4.16Å; L679-L703 HydrophobicContact CD2-CD1 3.96Å; L679-L703 HydrophobicContact CG-CD1 4.12Å; L679-Y704 PolarHBondContact O-N 3.2Å
680	D	97.5	Very high	89.6	Confident	27 Å²	27	47 Å²	47	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.1	175.3	-168.6	0.7	0	0	0	111.3	L655 R656 I657 N658 S682 Y704	L655-D680 PolarHBondContact O-N 3.26Å; R656-D680 HydrophobicContact CB-CB 4.41Å; R656-D680 HydrophobicContact CG-CB 4.22Å; I657-D680 CarbonylContact C-O 3.04Å; I657-D680 PolarHBondContact N-O 3.21Å; N658-D680 PolarHBondContact N-O 3.42Å; D680-S682 WeakPolarHBondContact OD1-CB 3.43Å; D680-S682 PolarHBondContact OD1-N 2.99Å; D680-S682 PolarHBondContact OD1-OG 2.78Å; D680-Y704 HydrophobicContact CB-CD2 4.16Å; D680-Y704 WeakPolarHBondContact OD1-CB 3.3Å
681	L	96.3	Very high	88.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.			trans	-116.3	15.9	176.9	-72.3	167	0	0	0	111.3	I657 M662 F665 W667 L679 N684 L686 Y704 L705 N708	I657-L681 HydrophobicContact CB-CD2 4.13Å; I657-L681 HydrophobicContact CD1-CD2 4.26Å; I657-L681 HydrophobicContact CG1-CD2 4.5Å; M662-L681 HydrophobicContact SD-CD2 4.21Å; F665-L681 HydrophobicContact CD1-CD1 4.46Å; F665-L681 HydrophobicContact CD2-CD1 4.22Å; F665-L681 HydrophobicContact CD2-CD2 3.95Å; F665-L681 HydrophobicContact CE2-CD1 4.44Å; F665-L681 HydrophobicContact CE2-CD2 4.2Å; F665-L681 HydrophobicContact CG-CD1 4.25Å; W667-L681 HydrophobicContact CH2-CD1 3.94Å; W667-L681 HydrophobicContact CZ2-CD1 4.48Å; W667-L681 HydrophobicContact CZ3-CD1 4.47Å; L679-L681 HydrophobicContact CD1-CD1 4.42Å; L679-L681 HydrophobicContact CD1-CG 4.18Å; L679-L681 HydrophobicContact CD2-CD1 3.87Å; L679-L681 HydrophobicContact CD2-CG 4.47Å; L679-L681 HydrophobicContact CG-CD1 4.02Å; L679-L681 HydrophobicContact CG-CG 4.09Å; L681-N684 PolarHBondContact O-ND2 2Å; L681-L686 HydrophobicContact CB-CD1 4.09Å; L681-L686 HydrophobicContact CD1-CD1 4.25Å; L681-Y704 CarbonylContact C-O 3.26Å; L681-Y704 WeakPolarHBondContact CA-O 3.41Å; L681-Y704 PolarHBondContact N-O 2.91Å; L681-L705 HydrophobicContact CB-CD2 3.77Å; L681-L705 HydrophobicContact CD1-CD2 4.01Å; L681-N708 PolarHBondContact O-ND2 2.78Å
682	S	97.5	Very high	87.1	Confident	8 Å²	8	46.1 Å²	46.1	6%	0.056	23%	0.232	C	C	.	.			trans	-63.3	155.7	-178	-52.8	0	0	0	0	112.3	N658 N659 D680 N684 Y704 T706	N658-S682 CarbonylContact C-O 3.58Å; N658-S682 WeakPolarHBondContact CA-O 3.16Å; N658-S682 WeakPolarHBondContact CB-O 3.45Å; N659-S682 PolarHBondContact N-O 3.04Å; D680-S682 WeakPolarHBondContact OD1-CB 3.43Å; D680-S682 PolarHBondContact OD1-N 2.99Å; D680-S682 PolarHBondContact OD1-OG 2.78Å; S682-N684 VanDerWaalsContact C-N 3.35Å; S682-N684 PolarHBondContact O-N 3.28Å; S682-N684 PolarHBondContact O-ND2 3.34Å; S682-Y704 PolarHBondContact N-O 3.14Å; S682-Y704 WeakPolarHBondContact OG-CB 3.4Å; S682-T706 CarbonylContact C-O 3.58Å; S682-T706 WeakPolarHBondContact CA-O 3.31Å; S682-T706 WeakPolarHBondContact CB-O 3.47Å; S682-T706 PolarHBondContact OG-N 3.38Å
683	Y	97.3	Very high	85.4	Confident	115 Å²	115	51 Å²	51	45%	0.451	26%	0.259	S	S	.	.	S	Bend	trans	55.4	48.1	179	-63.1	-93.1	0	0	0	112.5	N659 N660 T706 H707	N659-Y683 WeakPolarHBondContact CA-O 3.28Å; N659-Y683 PolarHBondContact N-O 2.8Å; N659-Y683 VanDerWaalsContact OD1-CB 3.27Å; N659-Y683 WeakPolarHBondContact OD1-CB 3.48Å; N660-Y683 PolarHBondContact N-O 3.17Å; Y683-T706 PolarHBondContact N-O 2.79Å; Y683-H707 WeakPolarHBondContact CA-O 3.3Å; Y683-H707 HydrophobicContact CD1-CB 3.69Å; Y683-H707 AromaticContact CD1-CG 3.9Å; Y683-H707 HydrophobicContact CD2-CB 4.35Å; Y683-H707 HydrophobicContact CE1-CB 3.87Å; Y683-H707 AromaticContact CE1-CD2 3.91Å; Y683-H707 AromaticContact CE1-CE1 3.94Å; Y683-H707 AromaticContact CE1-CG 3.52Å; Y683-H707 AromaticContact CE1-ND1 3.53Å; Y683-H707 HydrophobicContact CE2-CB 4.49Å; Y683-H707 AromaticContact CE2-ND1 3.7Å; Y683-H707 HydrophobicContact CG-CB 3.95Å; Y683-H707 AromaticContact CZ-CE1 3.62Å; Y683-H707 AromaticContact CZ-CG 3.75Å; Y683-H707 AromaticContact CZ-ND1 3.23Å; Y683-H707 PolarHBondContact N-O 2.98Å; Y683-H707 PolarHBondContact OH-CE1 2.77Å; Y683-H707 PolarHBondContact OH-ND1 2.66Å
684	N	97.1	Very high	83.4	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.043	29%	0.292	C	S	.	.	S	Bend	trans	-118.1	-168	169	-83.8	-74.6	0	0	0	108.9	I657 N660 K661 M662 L681 S682 L686 H707 N708	I657-N684 PolarHBondContact O-ND2 3.15Å; N660-N684 VanDerWaalsContact CA-OD1 3.25Å; N660-N684 WeakPolarHBondContact CA-OD1 3.49Å; N660-N684 WeakPolarHBondContact CB-OD1 3.33Å; N660-N684 PolarHBondContact N-OD1 2.75Å; N660-N684 PolarHBondContact O-OD1 2.91Å; K661-N684 PolarHBondContact N-OD1 3.01Å; M662-N684 HydrophobicContact CB-CB 4.21Å; M662-N684 WeakPolarHBondContact CB-OD1 3.36Å; M662-N684 WeakPolarHBondContact CG-OD1 2.88Å; M662-N684 PolarHBondContact N-OD1 3.24Å; L681-N684 PolarHBondContact O-ND2 2Å; S682-N684 VanDerWaalsContact C-N 3.35Å; S682-N684 PolarHBondContact O-N 3.28Å; S682-N684 PolarHBondContact O-ND2 3.34Å; N684-L686 HydrophobicContact CB-CG 4.21Å; N684-H707 PolarHBondContact N-O 3.39Å; N684-N708 WeakPolarHBondContact CA-OD1 3.41Å; N684-N708 WeakPolarHBondContact CB-OD1 3.34Å; N684-N708 PolarHBondContact N-OD1 3.36Å; N684-N708 PolarHBondContact O-OD1 3.16Å
685	S	95.8	Very high	81.8	Confident	55 Å²	55	50.1 Å²	50.1	39%	0.385	26%	0.263	S	S	.	.			trans	-116.5	29.1	179.1	-62	0	0	0	0	111.8	M662 S687 N708	M662-S685 CarbonylContact O-C 3.46Å; M662-S685 VanDerWaalsContact O-CA 3.25Å; M662-S685 WeakPolarHBondContact O-CA 2.97Å; M662-S685 WeakPolarHBondContact O-CB 3.45Å; M662-S685 PolarHBondContact O-N 2.85Å; S685-S687 PolarHBondContact O-N 2.61Å; S685-N708 PolarHBondContact N-OD1 3.43Å
686	L	93.2	Very high	80.2	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	26%	0.259	C	S	.	.			trans	-64.5	123.4	-178	-60.5	174	0	0	0	109.6	M662 F665 L681 N684 L705 N708 Q709 I710	M662-L686 HydrophobicContact CB-CD2 4.04Å; M662-L686 PolarHBondContact O-N 2.82Å; F665-L686 HydrophobicContact CB-CD2 4.17Å; L681-L686 HydrophobicContact CB-CD1 4.09Å; L681-L686 HydrophobicContact CD1-CD1 4.25Å; N684-L686 HydrophobicContact CB-CG 4.21Å; L686-L705 HydrophobicContact CD1-CD2 3.89Å; L686-N708 HydrophobicContact CB-CB 4.23Å; L686-N708 WeakPolarHBondContact CB-OD1 3.23Å; L686-N708 WeakPolarHBondContact CG-OD1 3.41Å; L686-N708 PolarHBondContact N-OD1 3Å; L686-Q709 CarbonylContact O-C 3.46Å; L686-Q709 VanDerWaalsContact O-CA 3.29Å; L686-Q709 WeakPolarHBondContact O-CA 3.34Å; L686-Q709 PolarHBondContact O-N 3.28Å; L686-I710 PolarHBondContact O-N 2.9Å
687	S	89.3	Confident	78.7	Confident	60 Å²	60	47.1 Å²	47.1	42%	0.42	26%	0.262	S	S	.	.			trans	-107.6	-39	-178.5	59.3	0	0	0	0	113	S685 Q709	S685-S687 PolarHBondContact O-N 2.61Å; S687-Q709 WeakPolarHBondContact CA-O 3.5Å
688	N	76.8	Confident	77.5	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	26%	0.261	S	S	.	.			trans	-112.4	143.5	179.2	-156.2	6.5	0	0	0	110.7	H712	N688-H712 PolarHBondContact OD1-NE2 3.05Å
689	I	72.7	Confident	76.9	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.26	C	S	.	.			trans	-124.4	89.3	173	-49.8	-175.1	0	0	0	106.1	W667 L705 I710 L713 Y717	W667-I689 HydrophobicContact CD2-CG2 4.47Å; W667-I689 HydrophobicContact CH2-CG2 4.36Å; W667-I689 HydrophobicContact CZ2-CG2 3.65Å; I689-L705 HydrophobicContact CD1-CD1 4.06Å; I689-I710 HydrophobicContact CD1-CB 4.45Å; I689-I710 HydrophobicContact CD1-CD1 3.61Å; I689-I710 HydrophobicContact CD1-CG1 3.86Å; I689-I710 HydrophobicContact CD1-CG2 3.71Å; I689-I710 HydrophobicContact CG1-CD1 4.26Å; I689-I710 HydrophobicContact CG1-CG1 4.01Å; I689-I710 HydrophobicContact CG1-CG2 4Å; I689-L713 HydrophobicContact CD1-CD2 3.73Å; I689-Y717 HydrophobicContact CB-CE2 4.22Å; I689-Y717 HydrophobicContact CG2-CD1 4.45Å; I689-Y717 HydrophobicContact CG2-CD2 4.03Å; I689-Y717 HydrophobicContact CG2-CE1 3.7Å; I689-Y717 HydrophobicContact CG2-CE2 3.21Å; I689-Y717 WeakPolarHBondContact CG2-OH 3.36Å
690	A	63.9	Low	76.6	Confident	48 Å²	48	46.1 Å²	46.1	40%	0.397	26%	0.26	S	S	.	.			trans	-68.5	132.4	-175.1	0	0	0	0	0	111.8	I692 Y717	A690-I692 PolarHBondContact O-N 3.36Å; A690-Y717 VanDerWaalsContact O-CE2 3.28Å; A690-Y717 WeakPolarHBondContact O-CE2 3.23Å
691	G	58.9	Low	76.3	Confident	24 Å²	24	46 Å²	46	25%	0.247	26%	0.26	C	S	.	.			trans	-45.3	121.1	-176.6	0	0	0	0	0	114.4	E693 E714	G691-E693 PolarHBondContact O-N 2.79Å; G691-E714 WeakPolarHBondContact CA-OE2 3.38Å; G691-E714 PolarHBondContact N-OE2 3.3Å
692	I	57.9	Low	76.2	Confident	14 Å²	14	48.8 Å²	48.8	7%	0.072	27%	0.272	C	S	.	.			trans	-75.3	74.2	171.3	-59.4	168.6	0	0	0	108.1	W667 A690 T694 V695 Y717 M721	W667-I692 HydrophobicContact CB-CD1 4.48Å; W667-I692 HydrophobicContact CB-CG1 4.06Å; W667-I692 HydrophobicContact CE3-CD1 4.33Å; A690-I692 PolarHBondContact O-N 3.36Å; I692-T694 PolarHBondContact O-N 3.48Å; I692-V695 HydrophobicContact CG2-CB 3.49Å; I692-V695 VanDerWaalsContact CG2-CB 3.49Å; I692-V695 HydrophobicContact CG2-CG2 4.12Å; I692-V695 WeakPolarHBondContact CG2-O 3.09Å; I692-Y717 HydrophobicContact CD1-CE1 4.01Å; I692-Y717 HydrophobicContact CD1-CE2 4.11Å; I692-Y717 WeakPolarHBondContact CD1-OH 3.38Å; I692-Y717 HydrophobicContact CG1-CE2 3.88Å; I692-M721 HydrophobicContact CD1-CE 3.45Å; I692-M721 VanDerWaalsContact CD1-CE 3.45Å
693	E	51.2	Low	76	Confident	188 Å²	188	48.4 Å²	48.4	88%	0.879	27%	0.27	S	S	*	.	S	Bend	trans	-73.2	-19.8	178	-70.2	-163.9	156.6	0	0	112.2	G691	G691-E693 PolarHBondContact O-N 2.79Å
694	T	48.4	Very low	76	Confident	115 Å²	115	46.2 Å²	46.2	71%	0.706	26%	0.261	S	S	*	.	S	Bend	trans	-126.3	-12.8	-167.6	48.7	0	0	0	0	115.9	I692	I692-T694 PolarHBondContact O-N 3.48Å
695	V	54.2	Low	75.9	Confident	13 Å²	13	45.9 Å²	45.9	8%	0.079	26%	0.259	C	S	.	.			trans	-102	121.6	-176.3	-168.5	0	0	0	0	113.4	D668 I692 S697 G720	D668-V695 HydrophobicContact CB-CG2 4.35Å; I692-V695 HydrophobicContact CG2-CB 3.49Å; I692-V695 VanDerWaalsContact CG2-CB 3.49Å; I692-V695 HydrophobicContact CG2-CG2 4.12Å; I692-V695 WeakPolarHBondContact CG2-O 3.09Å; V695-S697 PolarHBondContact O-N 2.66Å; V695-G720 WeakPolarHBondContact O-CA 3.19Å
696	T	57.2	Low	75.9	Confident	80 Å²	80	44.2 Å²	44.2	49%	0.491	25%	0.247	S	C	.	.			trans	-92.2	86.3	165.4	53.7	0	0	0	0	110.7	F698	T696-F698 VanDerWaalsContact C-N 3.28Å; T696-F698 HydrophobicContact CG2-CE1 3.9Å; T696-F698 HydrophobicContact CG2-CE2 3.97Å; T696-F698 HydrophobicContact CG2-CZ 3.45Å; T696-F698 VanDerWaalsContact CG2-CZ 3.45Å; T696-F698 WeakPolarHBondContact O-CD2 3.37Å; T696-F698 PolarHBondContact O-N 2.88Å; T696-F698 WeakPolarHBondContact OG1-CE2 3.13Å; T696-F698 WeakPolarHBondContact OG1-CZ 3.2Å
697	S	62.9	Low	76	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.063	26%	0.261	C	S	.	.			trans	-80.1	80.5	167.5	-173.3	0	0	0	0	109.3	V695 S699 G720	V695-S697 PolarHBondContact O-N 2.66Å; S697-S699 VanDerWaalsContact C-N 3.25Å; S697-S699 PolarHBondContact O-N 3.28Å; S697-G720 PolarHBondContact N-O 3Å
698	F	67.3	Low	76.4	Confident	112 Å²	112	44.6 Å²	44.6	49%	0.491	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.5	-174.5	-63.5	-67.9	0	0	0	113.9	T696 K722 S723	T696-F698 VanDerWaalsContact C-N 3.28Å; T696-F698 HydrophobicContact CG2-CE1 3.9Å; T696-F698 HydrophobicContact CG2-CE2 3.97Å; T696-F698 HydrophobicContact CG2-CZ 3.45Å; T696-F698 VanDerWaalsContact CG2-CZ 3.45Å; T696-F698 WeakPolarHBondContact O-CD2 3.37Å; T696-F698 PolarHBondContact O-N 2.88Å; T696-F698 WeakPolarHBondContact OG1-CE2 3.13Å; T696-F698 WeakPolarHBondContact OG1-CZ 3.2Å; F698-K722 HydrophobicContact CD1-CD 4.19Å; F698-K722 HydrophobicContact CE1-CD 4.11Å; F698-S723 VanDerWaalsContact O-CB 3.22Å; F698-S723 WeakPolarHBondContact O-CB 3.27Å; F698-S723 PolarHBondContact O-OG 3.3Å
699	S	84.4	Confident	77.3	Confident	25 Å²	25	45.6 Å²	45.6	18%	0.175	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-16.1	-173	58	0	0	0	0	114.5	H674 L676 S697 T701	H674-S699 WeakPolarHBondContact O-CB 3.44Å; H674-S699 PolarHBondContact O-OG 3.2Å; L676-S699 PolarHBondContact N-OG 2.9Å; L676-S699 CarbonylContact O-C 3.56Å; L676-S699 VanDerWaalsContact O-CB 3.32Å; L676-S699 WeakPolarHBondContact O-CB 3.46Å; L676-S699 PolarHBondContact O-OG 2.9Å; S697-S699 VanDerWaalsContact C-N 3.25Å; S697-S699 PolarHBondContact O-N 3.28Å; S699-T701 PolarHBondContact O-N 3.13Å
700	L	88.5	Confident	78.2	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.			trans	-70.5	122.2	-171.4	-165.4	72.6	0	0	0	110.9	L676 L679 L703 M721 S723 L724	L676-L700 HydrophobicContact CD2-CD1 4.27Å; L676-L700 HydrophobicContact CG-CD1 4.17Å; L676-L700 VanDerWaalsContact O-CA 3.3Å; L676-L700 WeakPolarHBondContact O-CA 3.32Å; L676-L700 PolarHBondContact O-N 3.34Å; L679-L700 HydrophobicContact CB-CD1 3.81Å; L700-L703 HydrophobicContact CD2-CB 4.12Å; L700-L703 HydrophobicContact CD2-CD1 4.4Å; L700-L703 HydrophobicContact CD2-CD2 4.47Å; L700-M721 HydrophobicContact CD2-CE 4.15Å; L700-M721 HydrophobicContact CD2-SD 4.01Å; L700-S723 CarbonylContact O-C 3.58Å; L700-L724 WeakPolarHBondContact O-CA 3.46Å; L700-L724 PolarHBondContact O-N 2.92Å
701	T	91.7	Very high	79.5	Confident	24 Å²	24	46.4 Å²	46.4	15%	0.147	25%	0.246	C	C	.	.			trans	-110.8	-33.6	-177.2	47.8	0	0	0	0	112.7	K677 S699 S723 E725 T726	K677-T701 WeakPolarHBondContact CB-OG1 3.35Å; K677-T701 PolarHBondContact O-N 3.06Å; K677-T701 PolarHBondContact O-OG1 2.86Å; S699-T701 PolarHBondContact O-N 3.13Å; T701-S723 WeakPolarHBondContact CA-O 3.49Å; T701-S723 WeakPolarHBondContact CG2-O 3.45Å; T701-E725 PolarHBondContact O-N 3.08Å; T701-T726 PolarHBondContact O-N 3.2Å
702	F	94.2	Very high	80.6	Confident	58 Å²	58	49.8 Å²	49.8	25%	0.254	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.1	-179	-58.9	-90.2	0	0	0	109.6	K677 I678 L679 Y704 T726	K677-F702 PolarHBondContact O-N 3.05Å; I678-F702 HydrophobicContact CD1-CD2 4.46Å; I678-F702 HydrophobicContact CG1-CB 4.13Å; I678-F702 HydrophobicContact CG1-CD2 3.78Å; I678-F702 HydrophobicContact CG1-CG 4.28Å; I678-F702 HydrophobicContact CG2-CB 4.42Å; L679-F702 PolarHBondContact N-O 2.8Å; F702-Y704 HydrophobicContact CB-CD2 4.48Å; F702-Y704 HydrophobicContact CB-CE2 3.76Å; F702-Y704 WeakPolarHBondContact CD1-OH 3.43Å; F702-T726 HydrophobicContact CD1-CG2 4.27Å
703	L	93.4	Very high	81.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.2	173.8	178.9	56.8	0	0	0	109.5	W667 L679 L700 L705 F718 M721 L724 T726 L727 S728	W667-L703 HydrophobicContact CZ3-CD1 4.45Å; W667-L703 HydrophobicContact CZ3-CD2 4.46Å; L679-L703 HydrophobicContact CB-CD1 4.16Å; L679-L703 HydrophobicContact CD2-CD1 3.96Å; L679-L703 HydrophobicContact CG-CD1 4.12Å; L700-L703 HydrophobicContact CD2-CB 4.12Å; L700-L703 HydrophobicContact CD2-CD1 4.4Å; L700-L703 HydrophobicContact CD2-CD2 4.47Å; L703-L705 HydrophobicContact CD1-CD1 4.36Å; L703-L705 HydrophobicContact CD1-CG 4.21Å; L703-L705 HydrophobicContact CD2-CD1 3.96Å; L703-L705 HydrophobicContact CG-CD1 3.98Å; L703-L705 HydrophobicContact CG-CG 4.17Å; L703-F718 HydrophobicContact CD2-CE1 4.3Å; L703-M721 HydrophobicContact CD2-CE 4.07Å; L703-M721 HydrophobicContact CD2-SD 4.05Å; L703-L724 HydrophobicContact CB-CD1 3.85Å; L703-T726 PolarHBondContact N-O 3.26Å; L703-L727 HydrophobicContact CB-CD1 4.1Å; L703-L727 HydrophobicContact CD2-CD1 3.92Å; L703-L727 HydrophobicContact CG-CD1 4.03Å; L703-S728 PolarHBondContact O-N 2.99Å
704	Y	96.4	Very high	83.2	Confident	70 Å²	70	44.4 Å²	44.4	28%	0.275	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.6	179.3	-56.1	-76.7	0	0	0	111	I678 L679 D680 L681 S682 F702 T726	I678-Y704 HydrophobicContact CG2-CD2 4.45Å; I678-Y704 HydrophobicContact CG2-CE2 4.11Å; L679-Y704 PolarHBondContact O-N 3.2Å; D680-Y704 HydrophobicContact CB-CD2 4.16Å; D680-Y704 WeakPolarHBondContact OD1-CB 3.3Å; L681-Y704 CarbonylContact C-O 3.26Å; L681-Y704 WeakPolarHBondContact CA-O 3.41Å; L681-Y704 PolarHBondContact N-O 2.91Å; S682-Y704 PolarHBondContact N-O 3.14Å; S682-Y704 WeakPolarHBondContact OG-CB 3.4Å; F702-Y704 HydrophobicContact CB-CD2 4.48Å; F702-Y704 HydrophobicContact CB-CE2 3.76Å; F702-Y704 WeakPolarHBondContact CD1-OH 3.43Å; Y704-T726 HydrophobicContact CE1-CG2 4.39Å
705	L	95.1	Very high	84.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.			trans	-127.5	23.9	-179.9	-69.1	163.5	0	0	0	111.4	W667 L681 L686 I689 L703 N708 I710 S728 L729 N732	W667-L705 HydrophobicContact CH2-CD1 4.35Å; W667-L705 HydrophobicContact CH2-CD2 4.14Å; L681-L705 HydrophobicContact CB-CD2 3.77Å; L681-L705 HydrophobicContact CD1-CD2 4.01Å; L686-L705 HydrophobicContact CD1-CD2 3.89Å; I689-L705 HydrophobicContact CD1-CD1 4.06Å; L703-L705 HydrophobicContact CD1-CD1 4.36Å; L703-L705 HydrophobicContact CD1-CG 4.21Å; L703-L705 HydrophobicContact CD2-CD1 3.96Å; L703-L705 HydrophobicContact CG-CD1 3.98Å; L703-L705 HydrophobicContact CG-CG 4.17Å; L705-N708 PolarHBondContact O-ND2 3.41Å; L705-N708 VanDerWaalsContact O-ND2 3.07Å; L705-I710 HydrophobicContact CB-CD1 3.93Å; L705-I710 HydrophobicContact CD1-CD1 4.37Å; L705-I710 HydrophobicContact CD2-CD1 4.46Å; L705-S728 CarbonylContact C-O 3.09Å; L705-S728 VanDerWaalsContact CA-O 3.28Å; L705-S728 WeakPolarHBondContact CA-O 3.43Å; L705-S728 VanDerWaalsContact CB-O 3.3Å; L705-S728 WeakPolarHBondContact CB-O 3.42Å; L705-S728 PolarHBondContact N-O 3.11Å; L705-L729 HydrophobicContact CB-CD2 4.14Å; L705-L729 HydrophobicContact CD1-CD2 4.03Å; L705-N732 PolarHBondContact O-ND2 3.31Å
706	T	95.7	Very high	85.4	Confident	21 Å²	21	45.7 Å²	45.7	13%	0.129	23%	0.233	C	C	.	.			trans	-66.7	143.8	-175.5	-38.8	0	0	0	0	110.6	S682 Y683 S728 G730	S682-T706 CarbonylContact C-O 3.58Å; S682-T706 WeakPolarHBondContact CA-O 3.31Å; S682-T706 WeakPolarHBondContact CB-O 3.47Å; S682-T706 PolarHBondContact OG-N 3.38Å; Y683-T706 PolarHBondContact N-O 2.79Å; T706-S728 PolarHBondContact N-O 3.21Å; T706-S728 WeakPolarHBondContact OG1-CB 3.5Å; T706-S728 PolarHBondContact OG1-OG 2.98Å; T706-G730 CarbonylContact C-O 3.39Å; T706-G730 VanDerWaalsContact CA-O 3.23Å; T706-G730 WeakPolarHBondContact CA-O 3.29Å; T706-G730 WeakPolarHBondContact CG2-O 3.33Å
707	H	96.4	Very high	86	Confident	67 Å²	67	42 Å²	42	31%	0.31	21%	0.21	S	C	.	.	S	Bend	trans	56.6	59.1	-178.8	-63.1	90.8	0	0	0	112.5	Y683 N684 G730 S731	Y683-H707 WeakPolarHBondContact CA-O 3.3Å; Y683-H707 HydrophobicContact CD1-CB 3.69Å; Y683-H707 AromaticContact CD1-CG 3.9Å; Y683-H707 HydrophobicContact CD2-CB 4.35Å; Y683-H707 HydrophobicContact CE1-CB 3.87Å; Y683-H707 AromaticContact CE1-CD2 3.91Å; Y683-H707 AromaticContact CE1-CE1 3.94Å; Y683-H707 AromaticContact CE1-CG 3.52Å; Y683-H707 AromaticContact CE1-ND1 3.53Å; Y683-H707 HydrophobicContact CE2-CB 4.49Å; Y683-H707 AromaticContact CE2-ND1 3.7Å; Y683-H707 HydrophobicContact CG-CB 3.95Å; Y683-H707 AromaticContact CZ-CE1 3.62Å; Y683-H707 AromaticContact CZ-CG 3.75Å; Y683-H707 AromaticContact CZ-ND1 3.23Å; Y683-H707 PolarHBondContact N-O 2.98Å; Y683-H707 PolarHBondContact OH-CE1 2.77Å; Y683-H707 PolarHBondContact OH-ND1 2.66Å; N684-H707 PolarHBondContact N-O 3.39Å; H707-G730 PolarHBondContact N-O 2.72Å; H707-S731 VanDerWaalsContact CA-O 3.32Å; H707-S731 WeakPolarHBondContact CA-O 3.5Å; H707-S731 WeakPolarHBondContact CD2-CB 3.42Å; H707-S731 PolarHBondContact CE1-OG 2.79Å; H707-S731 VanDerWaalsContact CE1-OG 3.3Å; H707-S731 WeakPolarHBondContact NE2-CB 3.32Å; H707-S731 PolarHBondContact NE2-OG 3.06Å
708	N	96.5	Very high	86.4	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.011	21%	0.208	C	C	.	.	S	Bend	trans	-120.3	-169	167.6	-84.3	-76.2	0	0	0	109.3	L681 N684 S685 L686 L705 I710 N732	L681-N708 PolarHBondContact O-ND2 2.78Å; N684-N708 WeakPolarHBondContact CA-OD1 3.41Å; N684-N708 WeakPolarHBondContact CB-OD1 3.34Å; N684-N708 PolarHBondContact N-OD1 3.36Å; N684-N708 PolarHBondContact O-OD1 3.16Å; S685-N708 PolarHBondContact N-OD1 3.43Å; L686-N708 HydrophobicContact CB-CB 4.23Å; L686-N708 WeakPolarHBondContact CB-OD1 3.23Å; L686-N708 WeakPolarHBondContact CG-OD1 3.41Å; L686-N708 PolarHBondContact N-OD1 3Å; L705-N708 PolarHBondContact O-ND2 3.41Å; L705-N708 VanDerWaalsContact O-ND2 3.07Å; N708-I710 HydrophobicContact CB-CD1 3.9Å; N708-I710 HydrophobicContact CB-CG1 4.02Å; N708-N732 VanDerWaalsContact CA-OD1 3.23Å; N708-N732 WeakPolarHBondContact CA-OD1 3.4Å; N708-N732 WeakPolarHBondContact CB-OD1 3.29Å; N708-N732 PolarHBondContact N-OD1 2.97Å; N708-N732 PolarHBondContact O-OD1 3Å
709	Q	95.5	Very high	86.5	Confident	87 Å²	87	42.3 Å²	42.3	41%	0.407	21%	0.21	S	C	.	.			trans	-110.7	28.5	178.4	-58.3	-61.8	-22.8	0	0	112.1	L686 S687 C711 K733	L686-Q709 CarbonylContact O-C 3.46Å; L686-Q709 VanDerWaalsContact O-CA 3.29Å; L686-Q709 WeakPolarHBondContact O-CA 3.34Å; L686-Q709 PolarHBondContact O-N 3.28Å; S687-Q709 WeakPolarHBondContact CA-O 3.5Å; Q709-C711 PolarHBondContact O-N 3.26Å; Q709-C711 PolarHBondContact O-SG 3.2Å; Q709-K733 VanDerWaalsContact OE1-CE 3.26Å
710	I	92.8	Very high	85.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.			trans	-69.7	117.1	-173.9	-57.7	154.1	0	0	0	109.2	L686 I689 L705 N708 L713 L729 N732 K733 L734	L686-I710 PolarHBondContact O-N 2.9Å; I689-I710 HydrophobicContact CD1-CB 4.45Å; I689-I710 HydrophobicContact CD1-CD1 3.61Å; I689-I710 HydrophobicContact CD1-CG1 3.86Å; I689-I710 HydrophobicContact CD1-CG2 3.71Å; I689-I710 HydrophobicContact CG1-CD1 4.26Å; I689-I710 HydrophobicContact CG1-CG1 4.01Å; I689-I710 HydrophobicContact CG1-CG2 4Å; L705-I710 HydrophobicContact CB-CD1 3.93Å; L705-I710 HydrophobicContact CD1-CD1 4.37Å; L705-I710 HydrophobicContact CD2-CD1 4.46Å; N708-I710 HydrophobicContact CB-CD1 3.9Å; N708-I710 HydrophobicContact CB-CG1 4.02Å; I710-L713 HydrophobicContact CG2-CD2 3.93Å; I710-L729 HydrophobicContact CD1-CD2 4.11Å; I710-N732 HydrophobicContact CB-CB 4.24Å; I710-N732 WeakPolarHBondContact CB-OD1 3.33Å; I710-N732 WeakPolarHBondContact CD1-OD1 3.45Å; I710-N732 WeakPolarHBondContact CG1-OD1 3.49Å; I710-N732 PolarHBondContact N-OD1 3.37Å; I710-N732 VanDerWaalsContact N-OD1 3.1Å; I710-K733 CarbonylContact O-C 3.5Å; I710-K733 VanDerWaalsContact O-CA 3.29Å; I710-K733 WeakPolarHBondContact O-CA 3.25Å; I710-K733 PolarHBondContact O-N 2.78Å; I710-L734 HydrophobicContact CG2-CD2 3.85Å; I710-L734 PolarHBondContact O-N 3.28Å; I710-L734 VanDerWaalsContact O-N 3.16Å
711	C	90.2	Very high	85.2	Confident	65 Å²	65	41.6 Å²	41.6	44%	0.439	21%	0.206	S	C	.	.			trans	-96.3	-33.9	-177.4	-65.8	0	0	0	0	113.4	Q709 K733	Q709-C711 PolarHBondContact O-N 3.26Å; Q709-C711 PolarHBondContact O-SG 3.2Å; C711-K733 HydrophobicContact CB-CB 4.45Å; C711-K733 VanDerWaalsContact SG-CB 3.59Å
712	H	83.3	Confident	84.5	Confident	95 Å²	95	46.4 Å²	46.4	44%	0.44	23%	0.225	S	C	.	.			trans	-142.9	154.7	-177.4	59.1	-79.4	0	0	0	110.1	N688	N688-H712 PolarHBondContact OD1-NE2 3.05Å
713	L	84.5	Confident	84	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.079	23%	0.226	C	C	.	.			trans	-117.1	125.8	172.2	-60.3	173.2	0	0	0	107.8	I689 I710 L729 L734 T741	I689-L713 HydrophobicContact CD1-CD2 3.73Å; I710-L713 HydrophobicContact CG2-CD2 3.93Å; L713-L729 HydrophobicContact CD1-CD1 3.8Å; L713-L729 HydrophobicContact CD2-CD2 4.42Å; L713-L734 HydrophobicContact CD1-CD1 4.43Å; L713-L734 HydrophobicContact CD1-CD2 4.3Å; L713-L734 HydrophobicContact CD2-CD2 4.32Å; L713-L734 HydrophobicContact CG-CD2 3.84Å; L713-T741 HydrophobicContact CB-CG2 3.58Å; L713-T741 HydrophobicContact CD1-CG2 4Å; L713-T741 HydrophobicContact CG-CG2 4.42Å
714	E	77.6	Confident	83.7	Confident	74 Å²	74	45.8 Å²	45.8	35%	0.346	23%	0.227	S	C	.	.			trans	-65.1	156.3	178.1	-68.4	-174.4	174.8	0	0	112	G691 Y717	G691-E714 WeakPolarHBondContact CA-OE2 3.38Å; G691-E714 PolarHBondContact N-OE2 3.3Å; E714-Y717 WeakPolarHBondContact O-CB 3.33Å
715	S	76.9	Confident	83.4	Confident	57 Å²	57	45.2 Å²	45.2	40%	0.399	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	144.4	176.6	-67.1	0	0	0	0	110.4	Y717 T740	S715-Y717 PolarHBondContact O-N 3.17Å; S715-T740 PolarHBondContact OG-OG1 3.47Å
716	F	72.1	Confident	83.2	Confident	99 Å²	99	46 Å²	46	43%	0.434	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	15.3	179.7	-44.6	-80.8	0	0	0	115.9	F718 K719 T740 E743	F716-F718 PolarHBondContact O-N 3.13Å; F716-K719 HydrophobicContact CB-CD 4.45Å; F716-K719 WeakPolarHBondContact O-CB 3.29Å; F716-K719 PolarHBondContact O-N 3.13Å; F716-K719 VanDerWaalsContact O-N 3.1Å; F716-T740 WeakPolarHBondContact CA-O 3.26Å; F716-T740 HydrophobicContact CZ-CG2 4.48Å; F716-T740 PolarHBondContact N-O 3.1Å; F716-E743 WeakPolarHBondContact CA-O 3.43Å; F716-E743 HydrophobicContact CD1-CB 4.36Å; F716-E743 WeakPolarHBondContact CD1-O 3.39Å; F716-E743 HydrophobicContact CE1-CB 4.26Å
717	Y	70.4	Confident	83	Confident	1 Å²	1	45 Å²	45	0%	0.004	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-56	-45	-174.2	-175.4	-92.5	0	0	0	113.8	W667 I689 A690 I692 E714 S715 K719 M721	W667-Y717 WeakPolarHBondContact CZ3-OH 3.49Å; I689-Y717 HydrophobicContact CB-CE2 4.22Å; I689-Y717 HydrophobicContact CG2-CD1 4.45Å; I689-Y717 HydrophobicContact CG2-CD2 4.03Å; I689-Y717 HydrophobicContact CG2-CE1 3.7Å; I689-Y717 HydrophobicContact CG2-CE2 3.21Å; I689-Y717 WeakPolarHBondContact CG2-OH 3.36Å; A690-Y717 VanDerWaalsContact O-CE2 3.28Å; A690-Y717 WeakPolarHBondContact O-CE2 3.23Å; I692-Y717 HydrophobicContact CD1-CE1 4.01Å; I692-Y717 HydrophobicContact CD1-CE2 4.11Å; I692-Y717 WeakPolarHBondContact CD1-OH 3.38Å; I692-Y717 HydrophobicContact CG1-CE2 3.88Å; E714-Y717 WeakPolarHBondContact O-CB 3.33Å; S715-Y717 PolarHBondContact O-N 3.17Å; Y717-K719 PolarHBondContact O-N 2.98Å; Y717-M721 HydrophobicContact CE1-CE 4.32Å
718	F	71.6	Confident	82.9	Confident	6 Å²	6	42 Å²	42	3%	0.026	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-83.9	6.8	-176.6	-60.5	-71.4	0	0	0	113.9	L703 F716 G720 M721 L724 L727 T741 F742	L703-F718 HydrophobicContact CD2-CE1 4.3Å; F716-F718 PolarHBondContact O-N 3.13Å; F718-G720 PolarHBondContact O-N 2.98Å; F718-G720 VanDerWaalsContact O-N 3.15Å; F718-M721 HydrophobicContact CD1-SD 3.86Å; F718-M721 HydrophobicContact CE1-SD 4.36Å; F718-M721 PolarHBondContact O-N 2.8Å; F718-L724 HydrophobicContact CD1-CD2 3.93Å; F718-L724 HydrophobicContact CE1-CD2 4.33Å; F718-L727 HydrophobicContact CD1-CD2 4.47Å; F718-L727 HydrophobicContact CD2-CD2 4.49Å; F718-L727 HydrophobicContact CE1-CD1 3.99Å; F718-L727 HydrophobicContact CE1-CD2 3.72Å; F718-L727 HydrophobicContact CE2-CD2 3.73Å; F718-L727 HydrophobicContact CZ-CD1 4.09Å; F718-L727 HydrophobicContact CZ-CD2 3.3Å; F718-L727 HydrophobicContact CZ-CG 4.35Å; F718-T741 HydrophobicContact CD2-CG2 4.18Å; F718-T741 HydrophobicContact CE2-CG2 4Å; F718-F742 AromaticContact CD2-CD1 3.69Å; F718-F742 HydrophobicContact CD2-CD1 3.69Å; F718-F742 AromaticContact CD2-CE1 3.7Å; F718-F742 HydrophobicContact CD2-CE1 3.7Å; F718-F742 HydrophobicContact CE2-CD1 4.15Å; F718-F742 AromaticContact CE2-CE1 3.67Å; F718-F742 HydrophobicContact CE2-CE1 3.67Å; F718-F742 HydrophobicContact CE2-CZ 4.42Å
719	K	68.7	Low	82.8	Confident	123 Å²	123	42 Å²	42	54%	0.535	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-54.2	-34.5	-179.7	179.5	168.3	-178.5	-171	0	113.2	F716 Y717 P744	F716-K719 HydrophobicContact CB-CD 4.45Å; F716-K719 WeakPolarHBondContact O-CB 3.29Å; F716-K719 PolarHBondContact O-N 3.13Å; F716-K719 VanDerWaalsContact O-N 3.1Å; Y717-K719 PolarHBondContact O-N 2.98Å; K719-P744 HydrophobicContact CB-CG 4.31Å; K719-P744 HydrophobicContact CD-CG 4.13Å; K719-P744 VanDerWaalsContact CG-CD 3.44Å; K719-P744 HydrophobicContact CG-CG 3.69Å
720	G	67.8	Low	82.8	Confident	7 Å²	7	37.8 Å²	37.8	7%	0.072	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-79.4	-17	179.2	0	0	0	0	0	115.6	V695 S697 F718 K722	V695-G720 WeakPolarHBondContact O-CA 3.19Å; S697-G720 PolarHBondContact N-O 3Å; F718-G720 PolarHBondContact O-N 2.98Å; F718-G720 VanDerWaalsContact O-N 3.15Å; G720-K722 PolarHBondContact O-N 2.78Å
721	M	77.5	Confident	82.9	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.2	C	C	.	.			trans	-103.8	65.3	-169.8	-62.5	-179.2	-176.6	0	0	112.7	W667 I692 L700 L703 Y717 F718 S723 L724	W667-M721 HydrophobicContact CZ3-CE 4.42Å; I692-M721 HydrophobicContact CD1-CE 3.45Å; I692-M721 VanDerWaalsContact CD1-CE 3.45Å; L700-M721 HydrophobicContact CD2-CE 4.15Å; L700-M721 HydrophobicContact CD2-SD 4.01Å; L703-M721 HydrophobicContact CD2-CE 4.07Å; L703-M721 HydrophobicContact CD2-SD 4.05Å; Y717-M721 HydrophobicContact CE1-CE 4.32Å; F718-M721 HydrophobicContact CD1-SD 3.86Å; F718-M721 HydrophobicContact CE1-SD 4.36Å; F718-M721 PolarHBondContact O-N 2.8Å; M721-S723 VanDerWaalsContact C-N 3.28Å; M721-S723 PolarHBondContact O-N 3.2Å; M721-L724 HydrophobicContact CB-CB 4.19Å; M721-L724 WeakPolarHBondContact O-CB 3.31Å; M721-L724 PolarHBondContact O-N 3.14Å; M721-L724 HydrophobicContact SD-CD2 4.37Å
722	K	76.9	Confident	83.2	Confident	126 Å²	126	35.9 Å²	35.9	55%	0.548	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.7	-172.1	-61.6	-174.6	-178.9	-178.8	0	115.4	F698 G720 N748	F698-K722 HydrophobicContact CD1-CD 4.19Å; F698-K722 HydrophobicContact CE1-CD 4.11Å; G720-K722 PolarHBondContact O-N 2.78Å; K722-N748 PolarHBondContact O-ND2 3.24Å; K722-N748 VanDerWaalsContact O-ND2 3.16Å
723	S	84.9	Confident	83.8	Confident	42 Å²	42	36.3 Å²	36.3	29%	0.294	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.2	-177.5	-59	0	0	0	0	113.6	F698 L700 T701 M721 E725	F698-S723 VanDerWaalsContact O-CB 3.22Å; F698-S723 WeakPolarHBondContact O-CB 3.27Å; F698-S723 PolarHBondContact O-OG 3.3Å; L700-S723 CarbonylContact O-C 3.58Å; T701-S723 WeakPolarHBondContact CA-O 3.49Å; T701-S723 WeakPolarHBondContact CG2-O 3.45Å; M721-S723 VanDerWaalsContact C-N 3.28Å; M721-S723 PolarHBondContact O-N 3.2Å; S723-E725 PolarHBondContact O-N 3.04Å
724	L	86.9	Confident	84.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.177	C	C	.	.			trans	-66.2	116.6	-174.9	-169.7	68.4	0	0	0	110.7	L700 L703 F718 M721 L727 N748 L749	L700-L724 WeakPolarHBondContact O-CA 3.46Å; L700-L724 PolarHBondContact O-N 2.92Å; L703-L724 HydrophobicContact CB-CD1 3.85Å; F718-L724 HydrophobicContact CD1-CD2 3.93Å; F718-L724 HydrophobicContact CE1-CD2 4.33Å; M721-L724 HydrophobicContact CB-CB 4.19Å; M721-L724 WeakPolarHBondContact O-CB 3.31Å; M721-L724 PolarHBondContact O-N 3.14Å; M721-L724 HydrophobicContact SD-CD2 4.37Å; L724-L727 HydrophobicContact CD2-CB 4.16Å; L724-N748 CarbonylContact O-C 3.5Å; L724-L749 HydrophobicContact CD2-CD1 4.35Å; L724-L749 HydrophobicContact CG-CD1 4.25Å; L724-L749 VanDerWaalsContact O-CA 3.3Å; L724-L749 WeakPolarHBondContact O-CA 3.41Å; L724-L749 PolarHBondContact O-N 2.94Å
725	E	89.7	Confident	84.8	Confident	59 Å²	59	33.2 Å²	33.2	28%	0.276	17%	0.169	S	C	.	.			trans	-99.3	-36.9	178.2	-61.6	-159.5	176.1	0	0	112.3	T701 S723 N748 K750 T751	T701-E725 PolarHBondContact O-N 3.08Å; S723-E725 PolarHBondContact O-N 3.04Å; E725-N748 WeakPolarHBondContact CA-O 3.44Å; E725-K750 PolarHBondContact O-N 2.95Å; E725-K750 IonicContact OE1-NZ 2.8Å; E725-K750 PolarHBondContact OE1-NZ 3.26Å; E725-K750 IonicContact OE2-NZ 2.82Å; E725-K750 PolarHBondContact OE2-NZ 2.8Å; E725-T751 PolarHBondContact O-N 2.83Å
726	T	91.1	Very high	85.3	Confident	15 Å²	15	32.6 Å²	32.6	9%	0.092	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.5	-177.2	-59.8	0	0	0	0	111	T701 F702 L703 Y704 T751 F753	T701-T726 PolarHBondContact O-N 3.2Å; F702-T726 HydrophobicContact CD1-CG2 4.27Å; L703-T726 PolarHBondContact N-O 3.26Å; Y704-T726 HydrophobicContact CE1-CG2 4.39Å; T726-T751 WeakPolarHBondContact CA-O 3.21Å; T726-F753 HydrophobicContact CG2-CD2 4.22Å; T726-F753 HydrophobicContact CG2-CE2 3.76Å
727	L	92.2	Very high	86	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.5	173.8	176.9	60	0	0	0	109.6	L703 F718 L724 L729 F742 L749 T751 L752 F753	L703-L727 HydrophobicContact CB-CD1 4.1Å; L703-L727 HydrophobicContact CD2-CD1 3.92Å; L703-L727 HydrophobicContact CG-CD1 4.03Å; F718-L727 HydrophobicContact CD1-CD2 4.47Å; F718-L727 HydrophobicContact CD2-CD2 4.49Å; F718-L727 HydrophobicContact CE1-CD1 3.99Å; F718-L727 HydrophobicContact CE1-CD2 3.72Å; F718-L727 HydrophobicContact CE2-CD2 3.73Å; F718-L727 HydrophobicContact CZ-CD1 4.09Å; F718-L727 HydrophobicContact CZ-CD2 3.3Å; F718-L727 HydrophobicContact CZ-CG 4.35Å; L724-L727 HydrophobicContact CD2-CB 4.16Å; L727-L729 HydrophobicContact CD1-CG 4.24Å; L727-L729 HydrophobicContact CD2-CD1 3.78Å; L727-L729 HydrophobicContact CD2-CG 4.36Å; L727-L729 HydrophobicContact CG-CD1 4.03Å; L727-L729 HydrophobicContact CG-CG 4.07Å; L727-F742 HydrophobicContact CD2-CE1 4.02Å; L727-L749 HydrophobicContact CB-CD1 4.03Å; L727-T751 PolarHBondContact N-O 3.47Å; L727-L752 HydrophobicContact CB-CD1 3.98Å; L727-L752 HydrophobicContact CD2-CD1 3.81Å; L727-L752 HydrophobicContact CG-CD1 3.94Å; L727-L752 WeakPolarHBondContact O-CA 3.45Å; L727-F753 PolarHBondContact O-N 2.96Å
728	S	94.8	Very high	86.5	Confident	6 Å²	6	31.3 Å²	31.3	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.7	175.8	-166.1	0	0	0	0	113.1	L703 L705 T706 F753	L703-S728 PolarHBondContact O-N 2.99Å; L705-S728 CarbonylContact C-O 3.09Å; L705-S728 VanDerWaalsContact CA-O 3.28Å; L705-S728 WeakPolarHBondContact CA-O 3.43Å; L705-S728 VanDerWaalsContact CB-O 3.3Å; L705-S728 WeakPolarHBondContact CB-O 3.42Å; L705-S728 PolarHBondContact N-O 3.11Å; T706-S728 PolarHBondContact N-O 3.21Å; T706-S728 WeakPolarHBondContact OG1-CB 3.5Å; T706-S728 PolarHBondContact OG1-OG 2.98Å; S728-F753 WeakPolarHBondContact OG-CB 3.38Å
729	L	94	Very high	86.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.			trans	-122.6	13.9	178.8	-70.1	165.8	0	0	0	112.1	L705 I710 L713 L727 N732 L734 L752 F753 L754 N757	L705-L729 HydrophobicContact CB-CD2 4.14Å; L705-L729 HydrophobicContact CD1-CD2 4.03Å; I710-L729 HydrophobicContact CD1-CD2 4.11Å; L713-L729 HydrophobicContact CD1-CD1 3.8Å; L713-L729 HydrophobicContact CD2-CD2 4.42Å; L727-L729 HydrophobicContact CD1-CG 4.24Å; L727-L729 HydrophobicContact CD2-CD1 3.78Å; L727-L729 HydrophobicContact CD2-CG 4.36Å; L727-L729 HydrophobicContact CG-CD1 4.03Å; L727-L729 HydrophobicContact CG-CG 4.07Å; L729-N732 PolarHBondContact O-ND2 3.25Å; L729-L734 HydrophobicContact CB-CD1 3.96Å; L729-L734 HydrophobicContact CD1-CD1 4.2Å; L729-L734 HydrophobicContact CG-CD1 4.47Å; L729-L752 HydrophobicContact CD1-CD1 4.37Å; L729-F753 CarbonylContact C-O 3.45Å; L729-F753 WeakPolarHBondContact CA-O 3.33Å; L729-F753 PolarHBondContact N-O 2.87Å; L729-L754 HydrophobicContact CB-CD2 4.25Å; L729-L754 HydrophobicContact CD1-CD2 4.42Å; L729-N757 PolarHBondContact O-ND2 2.87Å
730	G	94.4	Very high	87.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	152.5	179.9	0	0	0	0	0	113.3	T706 H707 N732 F753 Q755	T706-G730 CarbonylContact C-O 3.39Å; T706-G730 VanDerWaalsContact CA-O 3.23Å; T706-G730 WeakPolarHBondContact CA-O 3.29Å; T706-G730 WeakPolarHBondContact CG2-O 3.33Å; H707-G730 PolarHBondContact N-O 2.72Å; G730-N732 PolarHBondContact O-N 2.54Å; G730-N732 PolarHBondContact O-ND2 2.76Å; G730-F753 PolarHBondContact N-O 3.47Å; G730-Q755 CarbonylContact C-O 3.51Å; G730-Q755 VanDerWaalsContact CA-O 3.23Å; G730-Q755 WeakPolarHBondContact CA-O 3.39Å
731	S	95.8	Very high	87.5	Confident	21 Å²	21	30 Å²	30	15%	0.147	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	43.9	-179.5	-58	0	0	0	0	113.8	H707 Q755	H707-S731 VanDerWaalsContact CA-O 3.32Å; H707-S731 WeakPolarHBondContact CA-O 3.5Å; H707-S731 WeakPolarHBondContact CD2-CB 3.42Å; H707-S731 PolarHBondContact CE1-OG 2.79Å; H707-S731 VanDerWaalsContact CE1-OG 3.3Å; H707-S731 WeakPolarHBondContact NE2-CB 3.32Å; H707-S731 PolarHBondContact NE2-OG 3.06Å; S731-Q755 PolarHBondContact N-O 2.75Å
732	N	96.1	Very high	87.3	Confident	3 Å²	3	30 Å²	30	2%	0.016	16%	0.156	C	C	.	.	S	Bend	trans	-107.5	-162.2	172.7	-85.8	-74.5	0	0	0	110.7	L705 N708 I710 L729 G730 L734 N757 P758	L705-N732 PolarHBondContact O-ND2 3.31Å; N708-N732 VanDerWaalsContact CA-OD1 3.23Å; N708-N732 WeakPolarHBondContact CA-OD1 3.4Å; N708-N732 WeakPolarHBondContact CB-OD1 3.29Å; N708-N732 PolarHBondContact N-OD1 2.97Å; N708-N732 PolarHBondContact O-OD1 3Å; I710-N732 HydrophobicContact CB-CB 4.24Å; I710-N732 WeakPolarHBondContact CB-OD1 3.33Å; I710-N732 WeakPolarHBondContact CD1-OD1 3.45Å; I710-N732 WeakPolarHBondContact CG1-OD1 3.49Å; I710-N732 PolarHBondContact N-OD1 3.37Å; I710-N732 VanDerWaalsContact N-OD1 3.1Å; L729-N732 PolarHBondContact O-ND2 3.25Å; G730-N732 PolarHBondContact O-N 2.54Å; G730-N732 PolarHBondContact O-ND2 2.76Å; N732-L734 HydrophobicContact CB-CG 4.26Å; N732-N757 WeakPolarHBondContact CA-OD1 3.48Å; N732-N757 WeakPolarHBondContact CB-OD1 3.36Å; N732-N757 PolarHBondContact N-OD1 2.9Å; N732-N757 PolarHBondContact O-OD1 3.11Å; N732-P758 WeakPolarHBondContact O-CD 3.38Å
733	K	94.9	Very high	86.9	Confident	105 Å²	105	27 Å²	27	46%	0.457	14%	0.144	S	C	.	.			trans	-112.6	23.8	177.9	-59.4	-60.7	-177.8	-177	0	112.1	Q709 I710 C711 A735 N757	Q709-K733 VanDerWaalsContact OE1-CE 3.26Å; I710-K733 CarbonylContact O-C 3.5Å; I710-K733 VanDerWaalsContact O-CA 3.29Å; I710-K733 WeakPolarHBondContact O-CA 3.25Å; I710-K733 PolarHBondContact O-N 2.78Å; C711-K733 HydrophobicContact CB-CB 4.45Å; C711-K733 VanDerWaalsContact SG-CB 3.59Å; K733-A735 PolarHBondContact O-N 3.36Å; K733-N757 PolarHBondContact N-OD1 3.02Å
734	L	92.4	Very high	85.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.			trans	-65	118.2	-178.1	-63.6	171.5	0	0	0	110.4	I710 L713 L729 N732 I737 N757 P758 F759	I710-L734 HydrophobicContact CG2-CD2 3.85Å; I710-L734 PolarHBondContact O-N 3.28Å; I710-L734 VanDerWaalsContact O-N 3.16Å; L713-L734 HydrophobicContact CD1-CD1 4.43Å; L713-L734 HydrophobicContact CD1-CD2 4.3Å; L713-L734 HydrophobicContact CD2-CD2 4.32Å; L713-L734 HydrophobicContact CG-CD2 3.84Å; L729-L734 HydrophobicContact CB-CD1 3.96Å; L729-L734 HydrophobicContact CD1-CD1 4.2Å; L729-L734 HydrophobicContact CG-CD1 4.47Å; N732-L734 HydrophobicContact CB-CG 4.26Å; L734-I737 HydrophobicContact CD1-CD1 4.3Å; L734-N757 HydrophobicContact CB-CB 4.14Å; L734-N757 WeakPolarHBondContact CB-OD1 3.36Å; L734-N757 PolarHBondContact N-OD1 2.77Å; L734-P758 CarbonylContact O-C 3.21Å; L734-P758 WeakPolarHBondContact O-CD 3.36Å; L734-F759 HydrophobicContact CB-CE1 4.33Å
735	A	91.1	Very high	84.1	Confident	23 Å²	23	36.3 Å²	36.3	19%	0.19	18%	0.181	C	C	.	.			trans	-91.4	-47.5	176.1	0	0	0	0	0	111.6	K733 F759 Q760	K733-A735 PolarHBondContact O-N 3.36Å; A735-F759 CarbonylContact O-C 3.38Å; A735-F759 WeakPolarHBondContact O-CA 3.47Å; A735-Q760 HydrophobicContact CB-CG 3.92Å; A735-Q760 PolarHBondContact O-N 3.36Å
736	I	87.7	Confident	82.7	Confident	44 Å²	44	34 Å²	34	23%	0.226	17%	0.171	C	C	.	.			trans	-137.7	145.5	-176.9	-58.4	167.8	0	0	0	107.7	Q760 D764	I736-Q760 HydrophobicContact CG1-CB 4.09Å; I736-D764 HydrophobicContact CD1-CB 3.94Å; I736-D764 HydrophobicContact CG2-CB 4.25Å
737	I	87.4	Confident	81.3	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.199	C	C	.	.			trans	-123.8	130.4	171.6	-61.3	172.6	0	0	0	106.5	L734 F742 L754 F759 F768	L734-I737 HydrophobicContact CD1-CD1 4.3Å; I737-F742 HydrophobicContact CG2-CD2 4.37Å; I737-F742 HydrophobicContact CG2-CE2 3.6Å; I737-F742 HydrophobicContact CG2-CZ 4.36Å; I737-L754 HydrophobicContact CD1-CD2 3.78Å; I737-F759 HydrophobicContact CD1-CE1 3.74Å; I737-F759 HydrophobicContact CD1-CZ 4.05Å; I737-F759 HydrophobicContact CG1-CE1 4.08Å; I737-F768 HydrophobicContact CB-CD1 4.42Å; I737-F768 HydrophobicContact CB-CD2 3.95Å; I737-F768 HydrophobicContact CB-CE2 4.19Å; I737-F768 HydrophobicContact CB-CG 4.07Å; I737-F768 HydrophobicContact CD1-CE1 4.32Å; I737-F768 HydrophobicContact CD1-CE2 4.23Å; I737-F768 HydrophobicContact CD1-CZ 3.95Å; I737-F768 HydrophobicContact CG2-CD2 3.69Å; I737-F768 HydrophobicContact CG2-CE2 3.86Å; I737-F768 HydrophobicContact CG2-CG 4.3Å; I737-F768 WeakPolarHBondContact O-CB 3.49Å
738	N	81.5	Confident	80.4	Confident	72 Å²	72	44 Å²	44	39%	0.385	22%	0.22	S	C	.	.			trans	-95.5	152.3	179.3	-70	-12	0	0	0	110.6	T740 T741	N738-T740 PolarHBondContact O-N 3.4Å; N738-T741 VanDerWaalsContact O-CB 3.31Å; N738-T741 WeakPolarHBondContact O-CB 3.32Å; N738-T741 PolarHBondContact O-N 3.19Å; N738-T741 PolarHBondContact O-OG1 3Å
739	Q	75.4	Confident	79.8	Confident	59 Å²	59	44.3 Å²	44.3	28%	0.276	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.4	-38.1	174.4	172.4	175.4	-19.2	0	0	111.9	T741 F742 E743 D767	Q739-T741 PolarHBondContact O-N 3.02Å; Q739-T741 VanDerWaalsContact O-N 3.16Å; Q739-F742 PolarHBondContact O-N 2.74Å; Q739-F742 VanDerWaalsContact O-N 3.07Å; Q739-E743 HydrophobicContact CG-CG 4.45Å; Q739-E743 PolarHBondContact NE2-OE1 3.1Å; Q739-D767 HydrophobicContact CB-CB 3.98Å
740	T	76.8	Confident	79.3	Confident	47 Å²	47	49.8 Å²	49.8	29%	0.288	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.8	-25	-179.9	54.3	0	0	0	0	113.2	S715 F716 N738 F742 E743	S715-T740 PolarHBondContact OG-OG1 3.47Å; F716-T740 WeakPolarHBondContact CA-O 3.26Å; F716-T740 HydrophobicContact CZ-CG2 4.48Å; F716-T740 PolarHBondContact N-O 3.1Å; N738-T740 PolarHBondContact O-N 3.4Å; T740-F742 PolarHBondContact O-N 3.1Å; T740-E743 PolarHBondContact O-N 2.77Å
741	T	75.7	Confident	79	Confident	1 Å²	1	51 Å²	51	1%	0.006	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-58.9	-33.1	175.3	-57.6	0	0	0	0	112.3	L713 F718 N738 Q739	L713-T741 HydrophobicContact CB-CG2 3.58Å; L713-T741 HydrophobicContact CD1-CG2 4Å; L713-T741 HydrophobicContact CG-CG2 4.42Å; F718-T741 HydrophobicContact CD2-CG2 4.18Å; F718-T741 HydrophobicContact CE2-CG2 4Å; N738-T741 VanDerWaalsContact O-CB 3.31Å; N738-T741 WeakPolarHBondContact O-CB 3.32Å; N738-T741 PolarHBondContact O-N 3.19Å; N738-T741 PolarHBondContact O-OG1 3Å; Q739-T741 PolarHBondContact O-N 3.02Å; Q739-T741 VanDerWaalsContact O-N 3.16Å
742	F	74.1	Confident	78.7	Confident	2 Å²	2	50 Å²	50	1%	0.009	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-106.6	16.9	-178	-60.1	-71.1	0	0	0	113.6	F718 L727 I737 Q739 T740 P746 L752 F768 W771	F718-F742 AromaticContact CD2-CD1 3.69Å; F718-F742 HydrophobicContact CD2-CD1 3.69Å; F718-F742 AromaticContact CD2-CE1 3.7Å; F718-F742 HydrophobicContact CD2-CE1 3.7Å; F718-F742 HydrophobicContact CE2-CD1 4.15Å; F718-F742 AromaticContact CE2-CE1 3.67Å; F718-F742 HydrophobicContact CE2-CE1 3.67Å; F718-F742 HydrophobicContact CE2-CZ 4.42Å; L727-F742 HydrophobicContact CD2-CE1 4.02Å; I737-F742 HydrophobicContact CG2-CD2 4.37Å; I737-F742 HydrophobicContact CG2-CE2 3.6Å; I737-F742 HydrophobicContact CG2-CZ 4.36Å; Q739-F742 PolarHBondContact O-N 2.74Å; Q739-F742 VanDerWaalsContact O-N 3.07Å; T740-F742 PolarHBondContact O-N 3.1Å; F742-P746 WeakPolarHBondContact O-CD 3.39Å; F742-L752 HydrophobicContact CZ-CD1 4.5Å; F742-L752 HydrophobicContact CZ-CD2 4.1Å; F742-F768 HydrophobicContact CE2-CD2 4.44Å; F742-F768 HydrophobicContact CE2-CE2 4.03Å; F742-W771 HydrophobicContact CB-CH2 4.29Å; F742-W771 HydrophobicContact CB-CZ2 3.51Å; F742-W771 HydrophobicContact CD1-CH2 4.27Å; F742-W771 HydrophobicContact CD1-CZ2 4.24Å; F742-W771 HydrophobicContact CD2-CD2 4.44Å; F742-W771 HydrophobicContact CD2-CE3 4.46Å; F742-W771 AromaticContact CD2-CH2 3.79Å; F742-W771 HydrophobicContact CD2-CH2 3.79Å; F742-W771 AromaticContact CD2-CZ2 3.78Å; F742-W771 HydrophobicContact CD2-CZ2 3.78Å; F742-W771 HydrophobicContact CD2-CZ3 4.16Å; F742-W771 HydrophobicContact CE2-CH2 4.09Å; F742-W771 HydrophobicContact CE2-CZ3 4.23Å; F742-W771 AromaticContact CG-CH2 3.87Å; F742-W771 HydrophobicContact CG-CH2 3.87Å; F742-W771 AromaticContact CG-CZ2 3.6Å; F742-W771 HydrophobicContact CG-CZ2 3.6Å; F742-W771 HydrophobicContact CZ-CH2 4.48Å
743	E	67.4	Low	78.5	Confident	65 Å²	65	52.5 Å²	52.5	30%	0.304	26%	0.256	S	S	.	.			trans	-105.2	142.8	172.1	-68.2	-170.9	169.9	0	0	110.5	F716 Q739 T740	F716-E743 WeakPolarHBondContact CA-O 3.43Å; F716-E743 HydrophobicContact CD1-CB 4.36Å; F716-E743 WeakPolarHBondContact CD1-O 3.39Å; F716-E743 HydrophobicContact CE1-CB 4.26Å; Q739-E743 HydrophobicContact CG-CG 4.45Å; Q739-E743 PolarHBondContact NE2-OE1 3.1Å; T740-E743 PolarHBondContact O-N 2.77Å
744	P	58	Low	78.4	Confident	70 Å²	70	47.5 Å²	47.5	46%	0.455	24%	0.235	S	C	.	.	S	Bend	cis	-68.2	157.4	-11.4	31.4	-33.3	0	0	0	112.3	K719 P746	K719-P744 HydrophobicContact CB-CG 4.31Å; K719-P744 HydrophobicContact CD-CG 4.13Å; K719-P744 VanDerWaalsContact CG-CD 3.44Å; K719-P744 HydrophobicContact CG-CG 3.69Å; P744-P746 WeakPolarHBondContact O-CD 3.29Å
745	R	55.9	Low	78.4	Confident	168 Å²	168	49 Å²	49	63%	0.634	24%	0.242	S	C	*	.			trans	-48.4	113.7	-167.3	-168.1	-179.3	-165	170.9	10.3	114.4	E747	R745-E747 VanDerWaalsContact C-N 3.33Å; R745-E747 HydrophobicContact CB-CG 4.32Å; R745-E747 VanDerWaalsContact CD-CG 3.48Å; R745-E747 HydrophobicContact CG-CG 3.64Å; R745-E747 IonicContact NH1-OE1 3.84Å; R745-E747 PolarHBondContact O-N 2.96Å
746	P	60.4	Low	78.5	Confident	10 Å²	10	54.2 Å²	54.2	7%	0.065	26%	0.26	C	S	.	.			trans	-72.9	93.5	156.8	27.7	-29.9	0	0	0	107.5	F742 P744 N748 L749	F742-P746 WeakPolarHBondContact O-CD 3.39Å; P744-P746 WeakPolarHBondContact O-CD 3.29Å; P746-N748 PolarHBondContact O-N 3Å; P746-L749 HydrophobicContact CB-CB 4.14Å; P746-L749 HydrophobicContact CG-CB 4.26Å; P746-L749 PolarHBondContact O-N 3.06Å
747	E	62.2	Low	78.8	Confident	145 Å²	145	52.5 Å²	52.5	68%	0.678	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.6	179.6	-73.1	-175.5	166.2	0	0	112.7	R745	R745-E747 VanDerWaalsContact C-N 3.33Å; R745-E747 HydrophobicContact CB-CG 4.32Å; R745-E747 VanDerWaalsContact CD-CG 3.48Å; R745-E747 HydrophobicContact CG-CG 3.64Å; R745-E747 IonicContact NH1-OE1 3.84Å; R745-E747 PolarHBondContact O-N 2.96Å
748	N	73.1	Confident	79.1	Confident	82 Å²	82	54.5 Å²	54.5	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-3	-174.6	-63	-42.7	0	0	0	114.4	K722 L724 E725 P746 K750	K722-N748 PolarHBondContact O-ND2 3.24Å; K722-N748 VanDerWaalsContact O-ND2 3.16Å; L724-N748 CarbonylContact O-C 3.5Å; E725-N748 WeakPolarHBondContact CA-O 3.44Å; P746-N748 PolarHBondContact O-N 3Å; N748-K750 PolarHBondContact O-N 3.36Å
749	L	81.8	Confident	79.7	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.063	25%	0.246	C	C	.	.			trans	-69.9	106.6	-177.9	-173.9	70.9	0	0	0	110	L724 L727 P746 W771 I777	L724-L749 HydrophobicContact CD2-CD1 4.35Å; L724-L749 HydrophobicContact CG-CD1 4.25Å; L724-L749 VanDerWaalsContact O-CA 3.3Å; L724-L749 WeakPolarHBondContact O-CA 3.41Å; L724-L749 PolarHBondContact O-N 2.94Å; L727-L749 HydrophobicContact CB-CD1 4.03Å; P746-L749 HydrophobicContact CB-CB 4.14Å; P746-L749 HydrophobicContact CG-CB 4.26Å; P746-L749 PolarHBondContact O-N 3.06Å; L749-W771 HydrophobicContact CD2-CH2 4.33Å; L749-I777 HydrophobicContact CD2-CD1 4.37Å
750	K	83.6	Confident	80.4	Confident	114 Å²	114	51.9 Å²	51.9	50%	0.496	25%	0.25	S	C	.	.			trans	-92.5	-41.4	-178.4	-67.6	168.9	-168.1	162.4	0	111.7	E725 N748 R778	E725-K750 PolarHBondContact O-N 2.95Å; E725-K750 IonicContact OE1-NZ 2.8Å; E725-K750 PolarHBondContact OE1-NZ 3.26Å; E725-K750 IonicContact OE2-NZ 2.82Å; E725-K750 PolarHBondContact OE2-NZ 2.8Å; N748-K750 PolarHBondContact O-N 3.36Å; K750-R778 WeakPolarHBondContact O-CB 3.41Å; K750-R778 PolarHBondContact O-N 3.02Å
751	T	87.7	Confident	81	Confident	26 Å²	26	49.8 Å²	49.8	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.9	-172	-51	0	0	0	0	112.2	E725 T726 L727 F753 R778 P780	E725-T751 PolarHBondContact O-N 2.83Å; T726-T751 WeakPolarHBondContact CA-O 3.21Å; L727-T751 PolarHBondContact N-O 3.47Å; T751-F753 HydrophobicContact CG2-CD2 4.06Å; T751-F753 HydrophobicContact CG2-CE2 3.51Å; T751-F753 HydrophobicContact CG2-CZ 3.81Å; T751-R778 WeakPolarHBondContact CA-O 3.5Å; T751-P780 HydrophobicContact CG2-CG 4.02Å
752	L	90.2	Very high	81.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.7	177.9	177.6	62.1	0	0	0	110.1	L727 L729 F742 L754 W771 I777 R778 I779 P780	L727-L752 HydrophobicContact CB-CD1 3.98Å; L727-L752 HydrophobicContact CD2-CD1 3.81Å; L727-L752 HydrophobicContact CG-CD1 3.94Å; L727-L752 WeakPolarHBondContact O-CA 3.45Å; L729-L752 HydrophobicContact CD1-CD1 4.37Å; F742-L752 HydrophobicContact CZ-CD1 4.5Å; F742-L752 HydrophobicContact CZ-CD2 4.1Å; L752-L754 HydrophobicContact CD1-CD2 4.1Å; L752-L754 HydrophobicContact CD1-CG 4.45Å; L752-L754 HydrophobicContact CD2-CD1 3.87Å; L752-L754 HydrophobicContact CD2-CD2 4.28Å; L752-L754 HydrophobicContact CD2-CG 4.21Å; L752-L754 HydrophobicContact CG-CD1 4.05Å; L752-L754 HydrophobicContact CG-CD2 4.03Å; L752-L754 HydrophobicContact CG-CG 3.88Å; L752-W771 HydrophobicContact CD2-CH2 4.46Å; L752-W771 HydrophobicContact CD2-CZ3 4.2Å; L752-I777 HydrophobicContact CB-CG2 3.84Å; L752-R778 PolarHBondContact N-O 2.6Å; L752-I779 HydrophobicContact CB-CG1 4.22Å; L752-I779 WeakPolarHBondContact O-CA 3.34Å; L752-P780 WeakPolarHBondContact O-CD 3.36Å
753	F	92	Very high	82.1	Confident	56 Å²	56	54.6 Å²	54.6	25%	0.246	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.5	178.1	-63.2	-93.6	0	0	0	111	T726 L727 S728 L729 G730 T751 Q755 P780	T726-F753 HydrophobicContact CG2-CD2 4.22Å; T726-F753 HydrophobicContact CG2-CE2 3.76Å; L727-F753 PolarHBondContact O-N 2.96Å; S728-F753 WeakPolarHBondContact OG-CB 3.38Å; L729-F753 CarbonylContact C-O 3.45Å; L729-F753 WeakPolarHBondContact CA-O 3.33Å; L729-F753 PolarHBondContact N-O 2.87Å; G730-F753 PolarHBondContact N-O 3.47Å; T751-F753 HydrophobicContact CG2-CD2 4.06Å; T751-F753 HydrophobicContact CG2-CE2 3.51Å; T751-F753 HydrophobicContact CG2-CZ 3.81Å; F753-Q755 VanDerWaalsContact CB-OE1 3.31Å; F753-P780 HydrophobicContact CD1-CB 4.23Å; F753-P780 HydrophobicContact CD1-CG 3.86Å; F753-P780 HydrophobicContact CE1-CB 4.07Å; F753-P780 HydrophobicContact CE1-CG 3.56Å; F753-P780 HydrophobicContact CZ-CG 4.11Å
754	L	92.9	Very high	82.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.			trans	-131.3	-1	-174.6	-62.3	172.1	0	0	0	113.8	L729 I737 L752 N757 F759 F768 I779 V786	L729-L754 HydrophobicContact CB-CD2 4.25Å; L729-L754 HydrophobicContact CD1-CD2 4.42Å; I737-L754 HydrophobicContact CD1-CD2 3.78Å; L752-L754 HydrophobicContact CD1-CD2 4.1Å; L752-L754 HydrophobicContact CD1-CG 4.45Å; L752-L754 HydrophobicContact CD2-CD1 3.87Å; L752-L754 HydrophobicContact CD2-CD2 4.28Å; L752-L754 HydrophobicContact CD2-CG 4.21Å; L752-L754 HydrophobicContact CG-CD1 4.05Å; L752-L754 HydrophobicContact CG-CD2 4.03Å; L752-L754 HydrophobicContact CG-CG 3.88Å; L754-N757 PolarHBondContact O-ND2 3.14Å; L754-F759 HydrophobicContact CB-CE2 4.15Å; L754-F759 HydrophobicContact CB-CZ 4.04Å; L754-F759 HydrophobicContact CD2-CZ 4.38Å; L754-F768 HydrophobicContact CD1-CE1 4.18Å; L754-F768 HydrophobicContact CD1-CZ 3.56Å; L754-I779 HydrophobicContact CD1-CD1 4.15Å; L754-I779 HydrophobicContact CD1-CG2 4.34Å; L754-V786 HydrophobicContact CB-CG2 4.09Å
755	Q	91.9	Very high	84	Confident	32 Å²	32	52.8 Å²	52.8	15%	0.15	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	146.2	-175.5	63.8	-79.4	4.2	0	0	112.3	G730 S731 F753 N757 E785	G730-Q755 CarbonylContact C-O 3.51Å; G730-Q755 VanDerWaalsContact CA-O 3.23Å; G730-Q755 WeakPolarHBondContact CA-O 3.39Å; S731-Q755 PolarHBondContact N-O 2.75Å; F753-Q755 VanDerWaalsContact CB-OE1 3.31Å; Q755-N757 VanDerWaalsContact C-N 3.33Å; Q755-N757 PolarHBondContact O-N 2.88Å; Q755-E785 HydrophobicContact CB-CB 3.7Å; Q755-E785 WeakPolarHBondContact CB-OE2 3.28Å
756	K	92.1	Very high	85.3	Confident	132 Å²	132	46.8 Å²	46.8	57%	0.574	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	35	173.7	-53.6	-179.7	179.9	179.4	0	115	E785	K756-E785 PolarHBondContact N-O 2.83Å
757	N	94.5	Very high	86.2	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.043	26%	0.257	C	S	.	.			trans	-100.5	147.9	165.4	-81.5	-78.1	0	0	0	110.7	L729 N732 K733 L734 L754 Q755 F759	L729-N757 PolarHBondContact O-ND2 2.87Å; N732-N757 WeakPolarHBondContact CA-OD1 3.48Å; N732-N757 WeakPolarHBondContact CB-OD1 3.36Å; N732-N757 PolarHBondContact N-OD1 2.9Å; N732-N757 PolarHBondContact O-OD1 3.11Å; K733-N757 PolarHBondContact N-OD1 3.02Å; L734-N757 HydrophobicContact CB-CB 4.14Å; L734-N757 WeakPolarHBondContact CB-OD1 3.36Å; L734-N757 PolarHBondContact N-OD1 2.77Å; L754-N757 PolarHBondContact O-ND2 3.14Å; Q755-N757 VanDerWaalsContact C-N 3.33Å; Q755-N757 PolarHBondContact O-N 2.88Å; N757-F759 VanDerWaalsContact C-N 3.26Å; N757-F759 HydrophobicContact CB-CD2 3.91Å; N757-F759 HydrophobicContact CB-CE1 4.43Å; N757-F759 HydrophobicContact CB-CE2 3.48Å; N757-F759 VanDerWaalsContact CB-CE2 3.48Å; N757-F759 HydrophobicContact CB-CZ 3.77Å; N757-F759 PolarHBondContact O-N 2.67Å
758	P	93.9	Very high	87.2	Confident	44 Å²	44	43.6 Å²	43.6	29%	0.286	22%	0.224	S	C	.	.			trans	-81.3	63.3	-178.8	35.9	-37.7	0	0	0	112.3	N732 L734 E789	N732-P758 WeakPolarHBondContact O-CD 3.38Å; L734-P758 CarbonylContact O-C 3.21Å; L734-P758 WeakPolarHBondContact O-CD 3.36Å; P758-E789 HydrophobicContact CB-CB 3.96Å; P758-E789 HydrophobicContact CB-CG 4.18Å
759	F	93.3	Very high	87.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.8	-174.9	-72.3	-70	0	0	0	112.9	L734 A735 I737 L754 N757 V786 C788 E789 M790 L799	L734-F759 HydrophobicContact CB-CE1 4.33Å; A735-F759 CarbonylContact O-C 3.38Å; A735-F759 WeakPolarHBondContact O-CA 3.47Å; I737-F759 HydrophobicContact CD1-CE1 3.74Å; I737-F759 HydrophobicContact CD1-CZ 4.05Å; I737-F759 HydrophobicContact CG1-CE1 4.08Å; L754-F759 HydrophobicContact CB-CE2 4.15Å; L754-F759 HydrophobicContact CB-CZ 4.04Å; L754-F759 HydrophobicContact CD2-CZ 4.38Å; N757-F759 VanDerWaalsContact C-N 3.26Å; N757-F759 HydrophobicContact CB-CD2 3.91Å; N757-F759 HydrophobicContact CB-CE1 4.43Å; N757-F759 HydrophobicContact CB-CE2 3.48Å; N757-F759 VanDerWaalsContact CB-CE2 3.48Å; N757-F759 HydrophobicContact CB-CZ 3.77Å; N757-F759 PolarHBondContact O-N 2.67Å; F759-V786 HydrophobicContact CD2-CG1 3.8Å; F759-V786 HydrophobicContact CE2-CG1 3.62Å; F759-C788 CarbonylContact O-C 3.42Å; F759-C788 WeakPolarHBondContact O-CA 3.24Å; F759-E789 PolarHBondContact O-N 3.25Å; F759-M790 PolarHBondContact O-N 3.41Å; F759-L799 HydrophobicContact CB-CD1 4.45Å; F759-L799 HydrophobicContact CB-CD2 4.5Å; F759-L799 HydrophobicContact CD1-CD2 4.34Å; F759-L799 HydrophobicContact CD2-CD2 4.25Å; F759-L799 HydrophobicContact CG-CD2 4.11Å
760	Q	91.1	Very high	87.5	Confident	76 Å²	76	40.7 Å²	40.7	36%	0.355	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.7	172	-61.7	-175.8	-0.2	0	0	108.9	A735 I736 T762 S765 M790	A735-Q760 HydrophobicContact CB-CG 3.92Å; A735-Q760 PolarHBondContact O-N 3.36Å; I736-Q760 HydrophobicContact CG1-CB 4.09Å; Q760-T762 PolarHBondContact O-N 2.81Å; Q760-S765 PolarHBondContact O-OG 2.94Å; Q760-M790 CarbonylContact C-O 3.53Å; Q760-M790 HydrophobicContact CG-CB 4.19Å
761	C	89.5	Confident	87.3	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.188	C	C	.	.			trans	-85.8	69.7	179	-64.9	0	0	0	0	110	C788 M790 P791 L799 F802	C761-C788 HydrophobicContact CB-CB 3.72Å; C761-C788 WeakPolarHBondContact CB-SG 3.06Å; C761-C788 VanDerWaalsContact SG-CA 3.52Å; C761-C788 WeakPolarHBondContact SG-CB 3.45Å; C761-C788 CovalentContact SG-SG 2Å; C761-C788 PolarHBondContact SG-SG 3.49Å; C761-M790 PolarHBondContact N-O 3.35Å; C761-P791 VanDerWaalsContact O-CD 3.27Å; C761-P791 WeakPolarHBondContact O-CD 3.41Å; C761-L799 WeakPolarHBondContact SG-CD1 3.28Å; C761-F802 HydrophobicContact CB-CD2 3.88Å; C761-F802 HydrophobicContact CB-CE2 4.42Å; C761-F802 HydrophobicContact CB-CG 4.47Å; C761-F802 WeakPolarHBondContact O-CE2 3.39Å
762	T	87.4	Confident	86.9	Confident	45 Å²	45	34.5 Å²	34.5	28%	0.276	18%	0.181	S	C	.	.	S	Bend	trans	-111.1	177.5	171.3	60.6	0	0	0	0	109.5	Q760 D764 S765	Q760-T762 PolarHBondContact O-N 2.81Å; T762-D764 PolarHBondContact O-N 3.44Å; T762-D764 VanDerWaalsContact O-N 3.14Å; T762-D764 PolarHBondContact OG1-N 3.39Å; T762-D764 PolarHBondContact OG1-OD2 2.91Å; T762-S765 PolarHBondContact O-N 3.44Å; T762-S765 VanDerWaalsContact O-N 3.08Å
763	C	84.4	Confident	86	Confident	60 Å²	60	35.8 Å²	35.8	41%	0.405	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-63.2	-15.2	175.2	-66.1	0	0	0	0	114	S765 L766 C807	C763-S765 PolarHBondContact O-N 3.46Å; C763-L766 WeakPolarHBondContact O-CB 3.44Å; C763-L766 PolarHBondContact O-N 3.37Å; C763-C807 WeakPolarHBondContact CA-SG 3.36Å; C763-C807 HydrophobicContact CB-CB 3.84Å; C763-C807 WeakPolarHBondContact CB-SG 3.37Å; C763-C807 WeakPolarHBondContact SG-CA 3.05Å; C763-C807 WeakPolarHBondContact SG-CB 3.38Å; C763-C807 CovalentContact SG-SG 2.05Å; C763-C807 PolarHBondContact SG-SG 2.82Å
764	D	82.6	Confident	85	Confident	96 Å²	96	40.7 Å²	40.7	51%	0.513	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-67.2	-26.4	173.2	-49.2	-57.7	0	0	0	112.4	I736 T762 L766	I736-D764 HydrophobicContact CD1-CB 3.94Å; I736-D764 HydrophobicContact CG2-CB 4.25Å; T762-D764 PolarHBondContact O-N 3.44Å; T762-D764 VanDerWaalsContact O-N 3.14Å; T762-D764 PolarHBondContact OG1-N 3.39Å; T762-D764 PolarHBondContact OG1-OD2 2.91Å; D764-L766 PolarHBondContact O-N 3.43Å
765	S	84.1	Confident	83.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.007	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-79.1	-4.6	176.1	-74.6	0	0	0	0	113.3	Q760 T762 C763 D767 F768 L769	Q760-S765 PolarHBondContact O-OG 2.94Å; T762-S765 PolarHBondContact O-N 3.44Å; T762-S765 VanDerWaalsContact O-N 3.08Å; C763-S765 PolarHBondContact O-N 3.46Å; S765-D767 PolarHBondContact O-N 2.98Å; S765-F768 PolarHBondContact O-N 3.5Å; S765-L769 WeakPolarHBondContact O-CG 3.27Å; S765-L769 PolarHBondContact O-N 3.44Å
766	L	82.3	Confident	82.7	Confident	41 Å²	41	51.3 Å²	51.3	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-48.2	-175.3	177.3	58.2	0	0	0	112.1	C763 D764 F768 L769 V770 I804 C807	C763-L766 WeakPolarHBondContact O-CB 3.44Å; C763-L766 PolarHBondContact O-N 3.37Å; D764-L766 PolarHBondContact O-N 3.43Å; L766-F768 VanDerWaalsContact C-N 3.26Å; L766-F768 PolarHBondContact O-N 2.88Å; L766-L769 PolarHBondContact O-N 3.3Å; L766-V770 HydrophobicContact CD1-CG2 4.03Å; L766-V770 HydrophobicContact CG-CG2 4.42Å; L766-V770 WeakPolarHBondContact O-CG2 3.38Å; L766-V770 PolarHBondContact O-N 2.89Å; L766-I804 HydrophobicContact CD1-CB 3.98Å; L766-I804 HydrophobicContact CD1-CD1 3.9Å; L766-I804 HydrophobicContact CD1-CG1 3.66Å; L766-I804 HydrophobicContact CD1-CG2 3.26Å; L766-C807 HydrophobicContact CD2-CB 4.29Å
767	D	79.9	Confident	82	Confident	88 Å²	88	45.4 Å²	45.4	47%	0.471	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-39.9	-177.3	-69.9	-16.8	0	0	0	111.7	Q739 S765 V770 W771	Q739-D767 HydrophobicContact CB-CB 3.98Å; S765-D767 PolarHBondContact O-N 2.98Å; D767-V770 PolarHBondContact O-N 2.95Å; D767-W771 VanDerWaalsContact O-CB 3.31Å; D767-W771 WeakPolarHBondContact O-CB 3.44Å; D767-W771 PolarHBondContact O-N 2.88Å
768	F	83.3	Confident	81.3	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-40.7	177.6	176	-112.4	0	0	0	113.1	I737 F742 L754 S765 L766 V770 W771 I772 L799	I737-F768 HydrophobicContact CB-CD1 4.42Å; I737-F768 HydrophobicContact CB-CD2 3.95Å; I737-F768 HydrophobicContact CB-CE2 4.19Å; I737-F768 HydrophobicContact CB-CG 4.07Å; I737-F768 HydrophobicContact CD1-CE1 4.32Å; I737-F768 HydrophobicContact CD1-CE2 4.23Å; I737-F768 HydrophobicContact CD1-CZ 3.95Å; I737-F768 HydrophobicContact CG2-CD2 3.69Å; I737-F768 HydrophobicContact CG2-CE2 3.86Å; I737-F768 HydrophobicContact CG2-CG 4.3Å; I737-F768 WeakPolarHBondContact O-CB 3.49Å; F742-F768 HydrophobicContact CE2-CD2 4.44Å; F742-F768 HydrophobicContact CE2-CE2 4.03Å; L754-F768 HydrophobicContact CD1-CE1 4.18Å; L754-F768 HydrophobicContact CD1-CZ 3.56Å; S765-F768 PolarHBondContact O-N 3.5Å; L766-F768 VanDerWaalsContact C-N 3.26Å; L766-F768 PolarHBondContact O-N 2.88Å; F768-V770 VanDerWaalsContact C-N 3.34Å; F768-W771 HydrophobicContact CD2-CE3 4.19Å; F768-W771 HydrophobicContact CE2-CE3 4.05Å; F768-W771 HydrophobicContact CE2-CZ3 4.11Å; F768-W771 WeakPolarHBondContact O-CB 3.36Å; F768-W771 PolarHBondContact O-N 2.67Å; F768-I772 HydrophobicContact CD1-CD1 3.92Å; F768-I772 HydrophobicContact CD2-CD1 4.48Å; F768-I772 HydrophobicContact CD2-CG1 4.47Å; F768-I772 HydrophobicContact CE1-CD1 3.3Å; F768-I772 HydrophobicContact CE1-CG1 4.25Å; F768-I772 HydrophobicContact CE2-CD1 3.94Å; F768-I772 HydrophobicContact CE2-CG1 4.03Å; F768-I772 HydrophobicContact CG-CD1 4.46Å; F768-I772 HydrophobicContact CZ-CD1 3.32Å; F768-I772 HydrophobicContact CZ-CG1 3.92Å; F768-I772 WeakPolarHBondContact O-CG1 3.32Å; F768-I772 PolarHBondContact O-N 3.44Å; F768-L799 HydrophobicContact CD1-CD2 4.46Å; F768-L799 HydrophobicContact CE1-CD2 4.16Å
769	L	82.2	Confident	80.8	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-45.1	173.4	-73.5	173.9	0	0	0	111.1	W29 S765 L766 W771 I772 G773 L799 I800 F802	W29-L769 HydrophobicContact CH2-CB 4.36Å; W29-L769 VanDerWaalsContact CH2-O 3.26Å; W29-L769 WeakPolarHBondContact CH2-O 3.41Å; S765-L769 WeakPolarHBondContact O-CG 3.27Å; S765-L769 PolarHBondContact O-N 3.44Å; L766-L769 PolarHBondContact O-N 3.3Å; L769-W771 VanDerWaalsContact C-N 3.3Å; L769-W771 PolarHBondContact O-N 3.01Å; L769-I772 PolarHBondContact O-N 3Å; L769-G773 PolarHBondContact O-N 3.4Å; L769-L799 HydrophobicContact CD2-CD1 4.48Å; L769-L799 HydrophobicContact CD2-CG 4.02Å; L769-I800 HydrophobicContact CD2-CD1 4.3Å; L769-F802 HydrophobicContact CD1-CB 3.99Å; L769-F802 HydrophobicContact CD1-CD1 3.77Å; L769-F802 HydrophobicContact CD1-CG 4.31Å
770	V	79.2	Confident	80.3	Confident	31 Å²	31	51 Å²	51	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-39.4	175.2	172.9	0	0	0	0	111	L766 D767 F768 G773 K774	L766-V770 HydrophobicContact CD1-CG2 4.03Å; L766-V770 HydrophobicContact CG-CG2 4.42Å; L766-V770 WeakPolarHBondContact O-CG2 3.38Å; L766-V770 PolarHBondContact O-N 2.89Å; D767-V770 PolarHBondContact O-N 2.95Å; F768-V770 VanDerWaalsContact C-N 3.34Å; V770-G773 PolarHBondContact O-N 3.26Å; V770-K774 HydrophobicContact CG1-CD 4.1Å; V770-K774 WeakPolarHBondContact O-CG 3.48Å; V770-K774 PolarHBondContact O-N 2.9Å
771	W	79.7	Confident	79.7	Confident	8 Å²	8	52.7 Å²	52.7	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-44.5	176.9	179.8	95.6	0	0	0	112.7	F742 L749 L752 D767 F768 L769 G773 K774 R775 I777	F742-W771 HydrophobicContact CB-CH2 4.29Å; F742-W771 HydrophobicContact CB-CZ2 3.51Å; F742-W771 HydrophobicContact CD1-CH2 4.27Å; F742-W771 HydrophobicContact CD1-CZ2 4.24Å; F742-W771 HydrophobicContact CD2-CD2 4.44Å; F742-W771 HydrophobicContact CD2-CE3 4.46Å; F742-W771 AromaticContact CD2-CH2 3.79Å; F742-W771 HydrophobicContact CD2-CH2 3.79Å; F742-W771 AromaticContact CD2-CZ2 3.78Å; F742-W771 HydrophobicContact CD2-CZ2 3.78Å; F742-W771 HydrophobicContact CD2-CZ3 4.16Å; F742-W771 HydrophobicContact CE2-CH2 4.09Å; F742-W771 HydrophobicContact CE2-CZ3 4.23Å; F742-W771 AromaticContact CG-CH2 3.87Å; F742-W771 HydrophobicContact CG-CH2 3.87Å; F742-W771 AromaticContact CG-CZ2 3.6Å; F742-W771 HydrophobicContact CG-CZ2 3.6Å; F742-W771 HydrophobicContact CZ-CH2 4.48Å; L749-W771 HydrophobicContact CD2-CH2 4.33Å; L752-W771 HydrophobicContact CD2-CH2 4.46Å; L752-W771 HydrophobicContact CD2-CZ3 4.2Å; D767-W771 VanDerWaalsContact O-CB 3.31Å; D767-W771 WeakPolarHBondContact O-CB 3.44Å; D767-W771 PolarHBondContact O-N 2.88Å; F768-W771 HydrophobicContact CD2-CE3 4.19Å; F768-W771 HydrophobicContact CE2-CE3 4.05Å; F768-W771 HydrophobicContact CE2-CZ3 4.11Å; F768-W771 WeakPolarHBondContact O-CB 3.36Å; F768-W771 PolarHBondContact O-N 2.67Å; L769-W771 VanDerWaalsContact C-N 3.3Å; L769-W771 PolarHBondContact O-N 3.01Å; W771-G773 VanDerWaalsContact C-N 3.35Å; W771-K774 PolarHBondContact O-N 3.1Å; W771-R775 VanDerWaalsContact NE1-NE 3.18Å; W771-R775 VanDerWaalsContact NE1-NH2 3.2Å; W771-R775 WeakPolarHBondContact O-CG 3.48Å; W771-R775 PolarHBondContact O-N 3.41Å; W771-I777 HydrophobicContact CE3-CD1 4.36Å; W771-I777 HydrophobicContact CH2-CD1 3.09Å; W771-I777 HydrophobicContact CZ2-CD1 3.6Å; W771-I777 HydrophobicContact CZ3-CD1 3.53Å
772	I	79.3	Confident	79.5	Confident	2 Å²	2	53 Å²	53	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.3	173.4	-65.8	169.5	0	0	0	109.8	F768 L769 K774 R775 I779	F768-I772 HydrophobicContact CD1-CD1 3.92Å; F768-I772 HydrophobicContact CD2-CD1 4.48Å; F768-I772 HydrophobicContact CD2-CG1 4.47Å; F768-I772 HydrophobicContact CE1-CD1 3.3Å; F768-I772 HydrophobicContact CE1-CG1 4.25Å; F768-I772 HydrophobicContact CE2-CD1 3.94Å; F768-I772 HydrophobicContact CE2-CG1 4.03Å; F768-I772 HydrophobicContact CG-CD1 4.46Å; F768-I772 HydrophobicContact CZ-CD1 3.32Å; F768-I772 HydrophobicContact CZ-CG1 3.92Å; F768-I772 WeakPolarHBondContact O-CG1 3.32Å; F768-I772 PolarHBondContact O-N 3.44Å; L769-I772 PolarHBondContact O-N 3Å; I772-K774 VanDerWaalsContact C-N 3.26Å; I772-K774 PolarHBondContact O-N 3.16Å; I772-R775 PolarHBondContact O-N 2.99Å; I772-I779 HydrophobicContact CB-CD1 4.49Å; I772-I779 HydrophobicContact CD1-CD1 3.49Å; I772-I779 VanDerWaalsContact CD1-CD1 3.49Å; I772-I779 HydrophobicContact CG1-CD1 3.74Å; I772-I779 HydrophobicContact CG2-CD1 3.88Å
773	G	70.6	Confident	79.1	Confident	27 Å²	27	51.1 Å²	51.1	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-26.7	-176.8	0	0	0	0	0	114.2	L769 V770 W771	L769-G773 PolarHBondContact O-N 3.4Å; V770-G773 PolarHBondContact O-N 3.26Å; W771-G773 VanDerWaalsContact C-N 3.35Å
774	K	70.1	Confident	78.9	Confident	158 Å²	158	48.9 Å²	48.9	69%	0.687	23%	0.233	S	C	*	.	H	α-helix	trans	-85.5	-14.5	176.8	-74.3	177.3	-179.9	173.5	0	114.2	V770 W771 I772	V770-K774 HydrophobicContact CG1-CD 4.1Å; V770-K774 WeakPolarHBondContact O-CG 3.48Å; V770-K774 PolarHBondContact O-N 2.9Å; W771-K774 PolarHBondContact O-N 3.1Å; I772-K774 VanDerWaalsContact C-N 3.26Å; I772-K774 PolarHBondContact O-N 3.16Å
775	R	67.6	Low	79	Confident	52 Å²	52	46.7 Å²	46.7	20%	0.196	22%	0.22	C	C	.	.	S	Bend	trans	-120.7	136.8	-172.8	-61.4	-169.3	-178.6	-161.1	8.9	111.4	W771 I772 I777	W771-R775 VanDerWaalsContact NE1-NE 3.18Å; W771-R775 VanDerWaalsContact NE1-NH2 3.2Å; W771-R775 WeakPolarHBondContact O-CG 3.48Å; W771-R775 PolarHBondContact O-N 3.41Å; I772-R775 PolarHBondContact O-N 2.99Å; R775-I777 HydrophobicContact CB-CD1 3.84Å; R775-I777 HydrophobicContact CB-CG1 3.85Å; R775-I777 HydrophobicContact CG-CD1 4.47Å; R775-I777 PolarHBondContact O-N 3.26Å
776	E	68.8	Low	79.3	Confident	204 Å²	204	46.7 Å²	46.7	95%	0.953	22%	0.219	S	C	*	.			trans	-74.4	52.7	172.3	-65.3	-175.6	170.1	0	0	112
777	I	77.8	Confident	79.7	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.041	23%	0.227	C	C	.	.			trans	-88.1	127.1	176.1	-62.2	170.2	0	0	0	108.3	L749 L752 W771 R775 I779	L749-I777 HydrophobicContact CD2-CD1 4.37Å; L752-I777 HydrophobicContact CB-CG2 3.84Å; W771-I777 HydrophobicContact CE3-CD1 4.36Å; W771-I777 HydrophobicContact CH2-CD1 3.09Å; W771-I777 HydrophobicContact CZ2-CD1 3.6Å; W771-I777 HydrophobicContact CZ3-CD1 3.53Å; R775-I777 HydrophobicContact CB-CD1 3.84Å; R775-I777 HydrophobicContact CB-CG1 3.85Å; R775-I777 HydrophobicContact CG-CD1 4.47Å; R775-I777 PolarHBondContact O-N 3.26Å; I777-I779 HydrophobicContact CG2-CG1 4.31Å; I777-I779 PolarHBondContact O-N 2.71Å
778	R	80	Confident	80.2	Confident	140 Å²	140	45.5 Å²	45.5	53%	0.528	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-74.8	113.1	173.3	-172.2	177.9	-178.2	179.5	1.5	109.2	D36 K750 T751 L752 P780	D36-R778 IonicContact OD2-CZ 3.69Å; D36-R778 IonicContact OD2-NH2 2.85Å; D36-R778 PolarHBondContact OD2-NH2 2.69Å; K750-R778 WeakPolarHBondContact O-CB 3.41Å; K750-R778 PolarHBondContact O-N 3.02Å; T751-R778 WeakPolarHBondContact CA-O 3.5Å; L752-R778 PolarHBondContact N-O 2.6Å; R778-P780 WeakPolarHBondContact O-CD 3.32Å
779	I	84.6	Confident	80.7	Confident	10 Å²	10	48.3 Å²	48.3	5%	0.051	22%	0.219	C	C	.	.			trans	-108.3	99.7	168.6	-59.4	171.6	0	0	0	108.3	L752 L754 I772 I777 R781 L782 V786	L752-I779 HydrophobicContact CB-CG1 4.22Å; L752-I779 WeakPolarHBondContact O-CA 3.34Å; L754-I779 HydrophobicContact CD1-CD1 4.15Å; L754-I779 HydrophobicContact CD1-CG2 4.34Å; I772-I779 HydrophobicContact CB-CD1 4.49Å; I772-I779 HydrophobicContact CD1-CD1 3.49Å; I772-I779 VanDerWaalsContact CD1-CD1 3.49Å; I772-I779 HydrophobicContact CG1-CD1 3.74Å; I772-I779 HydrophobicContact CG2-CD1 3.88Å; I777-I779 HydrophobicContact CG2-CG1 4.31Å; I777-I779 PolarHBondContact O-N 2.71Å; I779-R781 PolarHBondContact O-N 2.9Å; I779-L782 HydrophobicContact CB-CB 4.2Å; I779-L782 HydrophobicContact CB-CD1 4.32Å; I779-L782 HydrophobicContact CD1-CD1 4.29Å; I779-L782 HydrophobicContact CG2-CB 3.99Å; I779-L782 HydrophobicContact CG2-CD1 3.81Å; I779-L782 HydrophobicContact CG2-CG 4.44Å; I779-L782 PolarHBondContact O-N 3.27Å; I779-V786 HydrophobicContact CG2-CG2 4.37Å
780	P	81.7	Confident	81	Confident	20 Å²	20	52.1 Å²	52.1	13%	0.13	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	136.5	180	-26.5	38.5	0	0	0	110.9	T751 L752 F753 R778 L782	T751-P780 HydrophobicContact CG2-CG 4.02Å; L752-P780 WeakPolarHBondContact O-CD 3.36Å; F753-P780 HydrophobicContact CD1-CB 4.23Å; F753-P780 HydrophobicContact CD1-CG 3.86Å; F753-P780 HydrophobicContact CE1-CB 4.07Å; F753-P780 HydrophobicContact CE1-CG 3.56Å; F753-P780 HydrophobicContact CZ-CG 4.11Å; R778-P780 WeakPolarHBondContact O-CD 3.32Å; P780-L782 PolarHBondContact O-N 2.92Å
781	R	79.6	Confident	81.4	Confident	111 Å²	111	53 Å²	53	42%	0.419	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	27.5	176.3	-57.4	-174.1	-179.9	-172.2	-1.7	114.6	I779 T783 T784 E785	I779-R781 PolarHBondContact O-N 2.9Å; R781-T783 VanDerWaalsContact C-N 3.29Å; R781-T783 PolarHBondContact O-N 2.97Å; R781-T784 WeakPolarHBondContact CB-OG1 3.27Å; R781-T784 PolarHBondContact O-N 2.86Å; R781-T784 PolarHBondContact O-OG1 3.49Å; R781-E785 HydrophobicContact CB-CB 4.06Å; R781-E785 HydrophobicContact CB-CG 4.16Å; R781-E785 VanDerWaalsContact CD-CD 3.48Å; R781-E785 WeakPolarHBondContact CD-OE1 3.38Å; R781-E785 IonicContact CZ-OE1 3.44Å; R781-E785 IonicContact NE-OE1 3.7Å; R781-E785 IonicContact NH1-OE1 3.11Å; R781-E785 PolarHBondContact NH1-OE1 3.4Å; R781-E785 PolarHBondContact O-N 3.01Å
782	L	83.6	Confident	81.7	Confident	7 Å²	7	58.6 Å²	58.6	4%	0.037	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-44.2	179.4	-177	69	0	0	0	112.9	I779 P780 T784 V786 I800	I779-L782 HydrophobicContact CB-CB 4.2Å; I779-L782 HydrophobicContact CB-CD1 4.32Å; I779-L782 HydrophobicContact CD1-CD1 4.29Å; I779-L782 HydrophobicContact CG2-CB 3.99Å; I779-L782 HydrophobicContact CG2-CD1 3.81Å; I779-L782 HydrophobicContact CG2-CG 4.44Å; I779-L782 PolarHBondContact O-N 3.27Å; P780-L782 PolarHBondContact O-N 2.92Å; L782-T784 VanDerWaalsContact C-N 3.31Å; L782-T784 PolarHBondContact O-N 3.44Å; L782-V786 HydrophobicContact CD1-CB 4.02Å; L782-V786 HydrophobicContact CD1-CG1 4.02Å; L782-V786 HydrophobicContact CD1-CG2 4.16Å; L782-V786 WeakPolarHBondContact O-CB 3.28Å; L782-I800 HydrophobicContact CD2-CB 4.06Å; L782-I800 HydrophobicContact CD2-CD1 4Å; L782-I800 HydrophobicContact CD2-CG1 3.96Å; L782-I800 HydrophobicContact CG-CB 4.24Å
783	T	79.8	Confident	82.1	Confident	6 Å²	6	66 Å²	66	4%	0.037	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10	-178.1	55.2	0	0	0	0	114.1	Q32 L34 R781 P798 I800	Q32-T783 VanDerWaalsContact O-CG2 3.28Å; Q32-T783 WeakPolarHBondContact O-CG2 3.38Å; L34-T783 WeakPolarHBondContact CA-OG1 3.46Å; R781-T783 VanDerWaalsContact C-N 3.29Å; R781-T783 PolarHBondContact O-N 2.97Å; T783-P798 WeakPolarHBondContact O-CG 3.41Å; T783-I800 HydrophobicContact CG2-CG2 4.14Å
784	T	79.5	Confident	82.8	Confident	13 Å²	13	65.9 Å²	65.9	8%	0.08	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-42	-170.3	55.9	0	0	0	0	114	L34 R52 R781 L782 R787	L34-T784 HydrophobicContact CD2-CG2 4.13Å; R52-T784 HydrophobicContact CB-CG2 4.16Å; R781-T784 WeakPolarHBondContact CB-OG1 3.27Å; R781-T784 PolarHBondContact O-N 2.86Å; R781-T784 PolarHBondContact O-OG1 3.49Å; L782-T784 VanDerWaalsContact C-N 3.31Å; L782-T784 PolarHBondContact O-N 3.44Å; T784-R787 PolarHBondContact O-NE 3.2Å; T784-R787 PolarHBondContact O-NH2 3.23Å
785	E	85.7	Confident	83.7	Confident	51 Å²	51	64.3 Å²	64.3	24%	0.238	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-8.4	-175.7	-65.6	-166.7	-169.2	0	0	114.7	Q755 K756 R781	Q755-E785 HydrophobicContact CB-CB 3.7Å; Q755-E785 WeakPolarHBondContact CB-OE2 3.28Å; K756-E785 PolarHBondContact N-O 2.83Å; R781-E785 HydrophobicContact CB-CB 4.06Å; R781-E785 HydrophobicContact CB-CG 4.16Å; R781-E785 VanDerWaalsContact CD-CD 3.48Å; R781-E785 WeakPolarHBondContact CD-OE1 3.38Å; R781-E785 IonicContact CZ-OE1 3.44Å; R781-E785 IonicContact NE-OE1 3.7Å; R781-E785 IonicContact NH1-OE1 3.11Å; R781-E785 PolarHBondContact NH1-OE1 3.4Å; R781-E785 PolarHBondContact O-N 3.01Å
786	V	90.1	Very high	84.6	Confident	0 Å²	0	66 Å²	66	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-95.7	92.5	171.3	-176	0	0	0	0	107.8	L754 F759 I779 L782 P798 L799	L754-V786 HydrophobicContact CB-CG2 4.09Å; F759-V786 HydrophobicContact CD2-CG1 3.8Å; F759-V786 HydrophobicContact CE2-CG1 3.62Å; I779-V786 HydrophobicContact CG2-CG2 4.37Å; L782-V786 HydrophobicContact CD1-CB 4.02Å; L782-V786 HydrophobicContact CD1-CG1 4.02Å; L782-V786 HydrophobicContact CD1-CG2 4.16Å; L782-V786 WeakPolarHBondContact O-CB 3.28Å; V786-P798 WeakPolarHBondContact O-CA 3.38Å; V786-L799 HydrophobicContact CG1-CB 3.95Å; V786-L799 HydrophobicContact CG1-CD2 3.83Å; V786-L799 PolarHBondContact O-N 2.99Å
787	R	90.3	Very high	85.5	Confident	102 Å²	102	61 Å²	61	39%	0.385	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-119.5	151.2	-171.3	-64.1	179.7	179.8	-135.1	8	111.8	T784 N796 K797	T784-R787 PolarHBondContact O-NE 3.2Å; T784-R787 PolarHBondContact O-NH2 3.23Å; R787-N796 WeakPolarHBondContact CD-O 3.24Å; R787-N796 PolarHBondContact NH1-O 3.38Å; R787-K797 CarbonylContact C-O 3.44Å; R787-K797 VanDerWaalsContact CA-O 3.24Å; R787-K797 WeakPolarHBondContact CA-O 3.02Å
788	C	91.6	Very high	85.9	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.7	169.3	-51.9	0	0	0	0	110.2	F759 C761 D794 R795 N796 K797	F759-C788 CarbonylContact O-C 3.42Å; F759-C788 WeakPolarHBondContact O-CA 3.24Å; C761-C788 HydrophobicContact CB-CB 3.72Å; C761-C788 WeakPolarHBondContact CB-SG 3.06Å; C761-C788 VanDerWaalsContact SG-CA 3.52Å; C761-C788 WeakPolarHBondContact SG-CB 3.45Å; C761-C788 CovalentContact SG-SG 2Å; C761-C788 PolarHBondContact SG-SG 3.49Å; C788-D794 VanDerWaalsContact CB-O 3.32Å; C788-D794 WeakPolarHBondContact CB-O 3.4Å; C788-R795 CarbonylContact O-C 3.03Å; C788-R795 WeakPolarHBondContact O-CA 3.44Å; C788-N796 PolarHBondContact O-N 3.02Å; C788-K797 PolarHBondContact N-O 3.35Å; C788-K797 PolarHBondContact SG-O 2.92Å
789	E	93.1	Very high	86.2	Confident	59 Å²	59	55.2 Å²	55.2	28%	0.276	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-36	166.4	-175	61.7	-159	0	0	110.9	P758 F759 R795	P758-E789 HydrophobicContact CB-CB 3.96Å; P758-E789 HydrophobicContact CB-CG 4.18Å; F759-E789 PolarHBondContact O-N 3.25Å; E789-R795 IonicContact OE1-CZ 2.85Å; E789-R795 VanDerWaalsContact OE1-CZ 3.23Å; E789-R795 IonicContact OE1-NE 3.32Å; E789-R795 PolarHBondContact OE1-NE 2.7Å; E789-R795 IonicContact OE1-NH2 3.99Å; E789-R795 PolarHBondContact OE1-NH2 2.98Å; E789-R795 IonicContact OE2-NE 2.59Å
790	M	88	Confident	86.2	Confident	82 Å²	82	55.8 Å²	55.8	40%	0.404	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.8	177.2	-71.2	-69.8	159.5	0	0	110.3	F759 Q760 C761 L792	F759-M790 PolarHBondContact O-N 3.41Å; Q760-M790 CarbonylContact C-O 3.53Å; Q760-M790 HydrophobicContact CG-CB 4.19Å; C761-M790 PolarHBondContact N-O 3.35Å; M790-L792 HydrophobicContact CE-CD2 4.2Å; M790-L792 HydrophobicContact SD-CG 4.33Å
791	P	87.9	Confident	86.1	Confident	51 Å²	51	61.5 Å²	61.5	33%	0.331	28%	0.281	S	S	.	.	S	Bend	cis	-69.6	161.6	-7.1	30.2	-35	0	0	0	112.3	C761 K793 D794 R795	C761-P791 VanDerWaalsContact O-CD 3.27Å; C761-P791 WeakPolarHBondContact O-CD 3.41Å; P791-K793 PolarHBondContact O-N 3.46Å; P791-D794 PolarHBondContact O-N 2.89Å; P791-R795 PolarHBondContact O-N 3.16Å
792	L	86.2	Confident	86.2	Confident	124 Å²	124	57.5 Å²	57.5	65%	0.649	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-52.5	-31.1	-176.6	-74.1	173	0	0	0	114.1	M790 D794 R795	M790-L792 HydrophobicContact CE-CD2 4.2Å; M790-L792 HydrophobicContact SD-CG 4.33Å; L792-D794 PolarHBondContact O-N 3.04Å; L792-R795 WeakPolarHBondContact O-CB 3.15Å; L792-R795 PolarHBondContact O-N 3.18Å
793	K	87.1	Confident	86	Confident	159 Å²	159	60.6 Å²	60.6	69%	0.691	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-60.2	-33.8	176.5	-176.1	-174.3	175	-168.3	0	112.9	P791	P791-K793 PolarHBondContact O-N 3.46Å
794	D	85.6	Confident	85.8	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.128	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-109.9	8.1	-175.2	-61.2	-52	0	0	0	112.5	C788 P791 L792 N796 K797	C788-D794 VanDerWaalsContact CB-O 3.32Å; C788-D794 WeakPolarHBondContact CB-O 3.4Å; P791-D794 PolarHBondContact O-N 2.89Å; L792-D794 PolarHBondContact O-N 3.04Å; D794-N796 PolarHBondContact O-N 3.36Å; D794-K797 HydrophobicContact CB-CD 4.13Å; D794-K797 VanDerWaalsContact O-CB 3.24Å; D794-K797 WeakPolarHBondContact O-CB 3.24Å; D794-K797 WeakPolarHBondContact O-CG 3.32Å; D794-K797 PolarHBondContact O-N 3.32Å; D794-K797 WeakPolarHBondContact OD1-CD 3.42Å; D794-K797 WeakPolarHBondContact OD1-CE 3.27Å; D794-K797 IonicContact OD1-NZ 3.57Å; D794-K797 PolarHBondContact OD1-NZ 2.77Å
795	R	88.9	Confident	85.5	Confident	124 Å²	124	68.6 Å²	68.6	47%	0.468	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	135.5	177.1	-168.9	177	-169.9	-167	6.2	111.4	C788 E789 P791 L792 K797	C788-R795 CarbonylContact O-C 3.03Å; C788-R795 WeakPolarHBondContact O-CA 3.44Å; E789-R795 IonicContact OE1-CZ 2.85Å; E789-R795 VanDerWaalsContact OE1-CZ 3.23Å; E789-R795 IonicContact OE1-NE 3.32Å; E789-R795 PolarHBondContact OE1-NE 2.7Å; E789-R795 IonicContact OE1-NH2 3.99Å; E789-R795 PolarHBondContact OE1-NH2 2.98Å; E789-R795 IonicContact OE2-NE 2.59Å; P791-R795 PolarHBondContact O-N 3.16Å; L792-R795 WeakPolarHBondContact O-CB 3.15Å; L792-R795 PolarHBondContact O-N 3.18Å; R795-K797 PolarHBondContact O-N 3.36Å
796	N	86.7	Confident	84.9	Confident	88 Å²	88	71.4 Å²	71.4	47%	0.471	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	4	-176.2	-62.5	-49.4	0	0	0	116	R787 C788 D794	R787-N796 WeakPolarHBondContact CD-O 3.24Å; R787-N796 PolarHBondContact NH1-O 3.38Å; C788-N796 PolarHBondContact O-N 3.02Å; D794-N796 PolarHBondContact O-N 3.36Å
797	K	87.3	Confident	84.3	Confident	100 Å²	100	72.7 Å²	72.7	44%	0.435	35%	0.346	S	S	.	.	S	Bend	trans	-77.1	145.7	169.8	-62.8	-175.4	-172.2	168	0	110.1	R787 C788 D794 R795	R787-K797 CarbonylContact C-O 3.44Å; R787-K797 VanDerWaalsContact CA-O 3.24Å; R787-K797 WeakPolarHBondContact CA-O 3.02Å; C788-K797 PolarHBondContact N-O 3.35Å; C788-K797 PolarHBondContact SG-O 2.92Å; D794-K797 HydrophobicContact CB-CD 4.13Å; D794-K797 VanDerWaalsContact O-CB 3.24Å; D794-K797 WeakPolarHBondContact O-CB 3.24Å; D794-K797 WeakPolarHBondContact O-CG 3.32Å; D794-K797 PolarHBondContact O-N 3.32Å; D794-K797 WeakPolarHBondContact OD1-CD 3.42Å; D794-K797 WeakPolarHBondContact OD1-CE 3.27Å; D794-K797 IonicContact OD1-NZ 3.57Å; D794-K797 PolarHBondContact OD1-NZ 2.77Å; R795-K797 PolarHBondContact O-N 3.36Å
798	P	85.9	Confident	83.4	Confident	25 Å²	25	72.9 Å²	72.9	16%	0.162	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-61.6	135.2	174.5	-22.7	34.4	0	0	0	111.7	T783 V786 I800 Y801	T783-P798 WeakPolarHBondContact O-CG 3.41Å; V786-P798 WeakPolarHBondContact O-CA 3.38Å; P798-I800 HydrophobicContact CB-CG2 4.24Å; P798-I800 PolarHBondContact O-N 3.03Å; P798-Y801 HydrophobicContact CB-CD2 3.72Å; P798-Y801 HydrophobicContact CB-CE2 4.13Å; P798-Y801 HydrophobicContact CG-CD2 3.69Å; P798-Y801 HydrophobicContact CG-CE2 3.92Å; P798-Y801 PolarHBondContact O-N 3.01Å; P798-Y801 VanDerWaalsContact O-N 3.11Å
799	L	87.7	Confident	82.5	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.005	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-55.6	-37.2	-178	174.6	64	0	0	0	112.5	F759 C761 F768 L769 V786 Y801 F802	F759-L799 HydrophobicContact CB-CD1 4.45Å; F759-L799 HydrophobicContact CB-CD2 4.5Å; F759-L799 HydrophobicContact CD1-CD2 4.34Å; F759-L799 HydrophobicContact CD2-CD2 4.25Å; F759-L799 HydrophobicContact CG-CD2 4.11Å; C761-L799 WeakPolarHBondContact SG-CD1 3.28Å; F768-L799 HydrophobicContact CD1-CD2 4.46Å; F768-L799 HydrophobicContact CE1-CD2 4.16Å; L769-L799 HydrophobicContact CD2-CD1 4.48Å; L769-L799 HydrophobicContact CD2-CG 4.02Å; V786-L799 HydrophobicContact CG1-CB 3.95Å; V786-L799 HydrophobicContact CG1-CD2 3.83Å; V786-L799 PolarHBondContact O-N 2.99Å; L799-Y801 PolarHBondContact O-N 3.06Å; L799-F802 VanDerWaalsContact O-CB 3.29Å; L799-F802 WeakPolarHBondContact O-CB 3.42Å; L799-F802 PolarHBondContact O-N 3.4Å; L799-F802 VanDerWaalsContact O-N 3.15Å
800	I	83.1	Confident	81.5	Confident	21 Å²	21	81.3 Å²	81.3	11%	0.108	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19.3	-177.8	-164.3	58.8	0	0	0	114.2	W29 L769 L782 T783 P798 F802	W29-I800 HydrophobicContact CE3-CD1 3.9Å; W29-I800 HydrophobicContact CH2-CD1 3.62Å; W29-I800 HydrophobicContact CZ2-CD1 4.34Å; W29-I800 HydrophobicContact CZ3-CD1 3.37Å; L769-I800 HydrophobicContact CD2-CD1 4.3Å; L782-I800 HydrophobicContact CD2-CB 4.06Å; L782-I800 HydrophobicContact CD2-CD1 4Å; L782-I800 HydrophobicContact CD2-CG1 3.96Å; L782-I800 HydrophobicContact CG-CB 4.24Å; T783-I800 HydrophobicContact CG2-CG2 4.14Å; P798-I800 HydrophobicContact CB-CG2 4.24Å; P798-I800 PolarHBondContact O-N 3.03Å; I800-F802 VanDerWaalsContact C-N 3.32Å
801	Y	80.1	Confident	80.9	Confident	140 Å²	140	81.6 Å²	81.6	55%	0.549	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-94.4	13.5	177.3	-61.3	-45.6	0	0	0	112.8	P798 L799 D803	P798-Y801 HydrophobicContact CB-CD2 3.72Å; P798-Y801 HydrophobicContact CB-CE2 4.13Å; P798-Y801 HydrophobicContact CG-CD2 3.69Å; P798-Y801 HydrophobicContact CG-CE2 3.92Å; P798-Y801 PolarHBondContact O-N 3.01Å; P798-Y801 VanDerWaalsContact O-N 3.11Å; L799-Y801 PolarHBondContact O-N 3.06Å; Y801-D803 PolarHBondContact O-N 2.88Å
802	F	83	Confident	80.4	Confident	27 Å²	27	84.5 Å²	84.5	12%	0.118	42%	0.419	C	S	.	.			trans	-63.3	132	171.4	177.7	-106.2	0	0	0	110.4	C761 L769 L799 I800 I804	C761-F802 HydrophobicContact CB-CD2 3.88Å; C761-F802 HydrophobicContact CB-CE2 4.42Å; C761-F802 HydrophobicContact CB-CG 4.47Å; C761-F802 WeakPolarHBondContact O-CE2 3.39Å; L769-F802 HydrophobicContact CD1-CB 3.99Å; L769-F802 HydrophobicContact CD1-CD1 3.77Å; L769-F802 HydrophobicContact CD1-CG 4.31Å; L799-F802 VanDerWaalsContact O-CB 3.29Å; L799-F802 WeakPolarHBondContact O-CB 3.42Å; L799-F802 PolarHBondContact O-N 3.4Å; L799-F802 VanDerWaalsContact O-N 3.15Å; I800-F802 VanDerWaalsContact C-N 3.32Å; F802-I804 HydrophobicContact CD1-CG1 4.43Å; F802-I804 PolarHBondContact O-N 3.42Å
803	D	78.3	Confident	80	Confident	73 Å²	73	80.7 Å²	80.7	39%	0.39	41%	0.405	S	S	.	.			trans	-82.8	99	-176.7	-177.4	8.3	0	0	0	110.3	Y801 D805 Q806	Y801-D803 PolarHBondContact O-N 2.88Å; D803-D805 PolarHBondContact O-N 3.41Å; D803-D805 PolarHBondContact OD1-N 3.39Å; D803-Q806 HydrophobicContact CB-CG 4.17Å; D803-Q806 PolarHBondContact O-N 3.33Å; D803-Q806 WeakPolarHBondContact OD2-CG 3.35Å; D803-Q806 PolarHBondContact OD2-NE2 2.69Å
804	I	75.9	Confident	79.8	Confident	46 Å²	46	79.3 Å²	79.3	24%	0.236	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-63.9	-26.7	-178.4	-66.8	171.8	0	0	0	111.8	W29 L766 F802 Q806 C807	W29-I804 HydrophobicContact CZ2-CD1 4.08Å; L766-I804 HydrophobicContact CD1-CB 3.98Å; L766-I804 HydrophobicContact CD1-CD1 3.9Å; L766-I804 HydrophobicContact CD1-CG1 3.66Å; L766-I804 HydrophobicContact CD1-CG2 3.26Å; F802-I804 HydrophobicContact CD1-CG1 4.43Å; F802-I804 PolarHBondContact O-N 3.42Å; I804-Q806 PolarHBondContact O-N 3.43Å; I804-Q806 VanDerWaalsContact O-N 3.16Å; I804-C807 WeakPolarHBondContact O-CB 3.27Å; I804-C807 PolarHBondContact O-N 3.18Å
805	D	72.2	Confident	79.8	Confident	141 Å²	141	83.4 Å²	83.4	75%	0.754	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-70.7	-12.5	-176.3	-64	-30.7	0	0	0	112.3	D803 C807	D803-D805 PolarHBondContact O-N 3.41Å; D803-D805 PolarHBondContact OD1-N 3.39Å; D805-C807 PolarHBondContact O-N 3.47Å
806	Q	73.8	Confident	79.7	Confident	109 Å²	109	82 Å²	82	51%	0.509	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-74.7	-13.5	172.3	-63.8	178.1	22.2	0	0	112.8	D803 I804	D803-Q806 HydrophobicContact CB-CG 4.17Å; D803-Q806 PolarHBondContact O-N 3.33Å; D803-Q806 WeakPolarHBondContact OD2-CG 3.35Å; D803-Q806 PolarHBondContact OD2-NE2 2.69Å; I804-Q806 PolarHBondContact O-N 3.43Å; I804-Q806 VanDerWaalsContact O-N 3.16Å
807	C	78.6	Confident	79.7	Confident	27 Å²	27	84.7 Å²	84.7	18%	0.182	42%	0.421	C	S	.	.			trans	-86.7	116.6	-178.7	-61.7	0	0	0	0	111.2	C763 L766 I804 D805	C763-C807 WeakPolarHBondContact CA-SG 3.36Å; C763-C807 HydrophobicContact CB-CB 3.84Å; C763-C807 WeakPolarHBondContact CB-SG 3.37Å; C763-C807 WeakPolarHBondContact SG-CA 3.05Å; C763-C807 WeakPolarHBondContact SG-CB 3.38Å; C763-C807 CovalentContact SG-SG 2.05Å; C763-C807 PolarHBondContact SG-SG 2.82Å; L766-C807 HydrophobicContact CD2-CB 4.29Å; I804-C807 WeakPolarHBondContact O-CB 3.27Å; I804-C807 PolarHBondContact O-N 3.18Å; D805-C807 PolarHBondContact O-N 3.47Å
808	V	71.3	Confident	79.8	Confident	106 Å²	106	83.2 Å²	83.2	64%	0.642	42%	0.42	S	S	*	.			trans	-87.1	133.7	175.8	-178.7	0	0	0	0	108.9	D810 A813	V808-D810 PolarHBondContact O-N 3.09Å; V808-A813 HydrophobicContact CG1-CB 3.84Å
809	N	71.9	Confident	80	Confident	108 Å²	108	87.1 Å²	87.1	58%	0.578	44%	0.439	S	S	*	.			trans	-77.2	108	171.7	-173.7	-21.8	0	0	0	109.4	D811 M812 A813	N809-D811 PolarHBondContact O-N 3.16Å; N809-D811 PolarHBondContact OD1-N 3.24Å; N809-M812 HydrophobicContact CB-CB 4.27Å; N809-M812 PolarHBondContact O-N 3.1Å; N809-A813 PolarHBondContact O-N 2.78Å
810	D	71.9	Confident	80.2	Confident	131 Å²	131	90.3 Å²	90.3	70%	0.701	46%	0.458	S	S	*	.	H	α-helix	trans	-55.4	-35.8	-176.8	-70.7	-24.9	0	0	0	113.1	V808 M812 A813 F814	V808-D810 PolarHBondContact O-N 3.09Å; D810-M812 PolarHBondContact O-N 3Å; D810-A813 PolarHBondContact O-N 2.83Å; D810-F814 WeakPolarHBondContact O-CB 3.45Å; D810-F814 PolarHBondContact O-N 2.88Å
811	D	75.3	Confident	80.6	Confident	88 Å²	88	91.1 Å²	91.1	47%	0.471	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-40.1	178.8	179.9	51.6	0	0	0	111.5	N809 K815	N809-D811 PolarHBondContact O-N 3.16Å; N809-D811 PolarHBondContact OD1-N 3.24Å; D811-K815 VanDerWaalsContact CG-NZ 3.34Å; D811-K815 WeakPolarHBondContact O-CD 3.07Å; D811-K815 VanDerWaalsContact O-CG 3.24Å; D811-K815 WeakPolarHBondContact O-CG 3.31Å; D811-K815 PolarHBondContact O-N 3.13Å; D811-K815 VanDerWaalsContact O-N 3.09Å; D811-K815 WeakPolarHBondContact OD1-CE 3.32Å; D811-K815 IonicContact OD1-NZ 3.59Å; D811-K815 PolarHBondContact OD1-NZ 3.28Å; D811-K815 WeakPolarHBondContact OD2-CE 3.32Å; D811-K815 IonicContact OD2-NZ 2.9Å; D811-K815 PolarHBondContact OD2-NZ 3.23Å
812	M	77.2	Confident	81.2	Confident	113 Å²	113	91.6 Å²	91.6	56%	0.557	47%	0.47	S	S	*	.	H	α-helix	trans	-72.7	-42.4	177.4	-165.5	65.1	-178	0	0	111.4	N809 D810 F814 K815 M816	N809-M812 HydrophobicContact CB-CB 4.27Å; N809-M812 PolarHBondContact O-N 3.1Å; D810-M812 PolarHBondContact O-N 3Å; M812-F814 VanDerWaalsContact C-N 3.34Å; M812-F814 PolarHBondContact O-N 2.93Å; M812-K815 PolarHBondContact O-N 2.94Å; M812-M816 WeakPolarHBondContact O-CG 3.29Å; M812-M816 PolarHBondContact O-N 3.01Å
813	A	79	Confident	81.6	Confident	43 Å²	43	96.8 Å²	96.8	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-42.6	176.5	0	0	0	0	0	111.6	V808 N809 D810 M816 Y817	V808-A813 HydrophobicContact CG1-CB 3.84Å; N809-A813 PolarHBondContact O-N 2.78Å; D810-A813 PolarHBondContact O-N 2.83Å; A813-M816 PolarHBondContact O-N 3.2Å; A813-Y817 WeakPolarHBondContact O-CB 3.47Å; A813-Y817 PolarHBondContact O-N 2.87Å
814	F	82.8	Confident	82.3	Confident	131 Å²	131	98.5 Å²	98.5	58%	0.575	50%	0.501	S	S	*	.	H	α-helix	trans	-64.8	-43.4	177.3	-175.1	-103.2	0	0	0	112.1	D810 M812 M816 Y817 V818	D810-F814 WeakPolarHBondContact O-CB 3.45Å; D810-F814 PolarHBondContact O-N 2.88Å; M812-F814 VanDerWaalsContact C-N 3.34Å; M812-F814 PolarHBondContact O-N 2.93Å; F814-M816 VanDerWaalsContact C-N 3.34Å; F814-M816 PolarHBondContact O-N 2.78Å; F814-Y817 PolarHBondContact O-N 3.16Å; F814-V818 HydrophobicContact CD1-CG2 4.12Å; F814-V818 HydrophobicContact CE1-CG2 3.72Å; F814-V818 HydrophobicContact CE2-CG2 4.19Å; F814-V818 HydrophobicContact CZ-CG2 3.76Å; F814-V818 WeakPolarHBondContact O-CG2 3.31Å; F814-V818 PolarHBondContact O-N 3.1Å
815	K	84.9	Confident	83	Confident	110 Å²	110	101.5 Å²	101.5	48%	0.478	52%	0.517	S	S	.	.	H	α-helix	trans	-59.4	-44.4	174.6	-74.6	168.9	-169.6	166	0	112.1	D811 M812 V818 L819	D811-K815 VanDerWaalsContact CG-NZ 3.34Å; D811-K815 WeakPolarHBondContact O-CD 3.07Å; D811-K815 VanDerWaalsContact O-CG 3.24Å; D811-K815 WeakPolarHBondContact O-CG 3.31Å; D811-K815 PolarHBondContact O-N 3.13Å; D811-K815 VanDerWaalsContact O-N 3.09Å; D811-K815 WeakPolarHBondContact OD1-CE 3.32Å; D811-K815 IonicContact OD1-NZ 3.59Å; D811-K815 PolarHBondContact OD1-NZ 3.28Å; D811-K815 WeakPolarHBondContact OD2-CE 3.32Å; D811-K815 IonicContact OD2-NZ 2.9Å; D811-K815 PolarHBondContact OD2-NZ 3.23Å; M812-K815 PolarHBondContact O-N 2.94Å; K815-V818 PolarHBondContact O-N 3.14Å; K815-L819 WeakPolarHBondContact O-CB 3.15Å; K815-L819 PolarHBondContact O-N 2.9Å
816	M	85.8	Confident	83.8	Confident	94 Å²	94	97.3 Å²	97.3	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-42.1	176.3	-70.1	-60.9	-67.6	0	0	111.9	M812 A813 F814 L819 T820	M812-M816 WeakPolarHBondContact O-CG 3.29Å; M812-M816 PolarHBondContact O-N 3.01Å; A813-M816 PolarHBondContact O-N 3.2Å; F814-M816 VanDerWaalsContact C-N 3.34Å; F814-M816 PolarHBondContact O-N 2.78Å; M816-L819 PolarHBondContact O-N 2.78Å; M816-T820 VanDerWaalsContact O-CG2 3.3Å; M816-T820 WeakPolarHBondContact O-CG2 3.2Å; M816-T820 PolarHBondContact O-N 3.47Å; M816-T820 PolarHBondContact O-OG1 2.8Å
817	Y	88.1	Confident	84.6	Confident	144 Å²	144	98.5 Å²	98.5	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-59.8	-49.2	174.5	171	-102.5	0	0	0	112.1	A813 F814 L819 T820 T821	A813-Y817 WeakPolarHBondContact O-CB 3.47Å; A813-Y817 PolarHBondContact O-N 2.87Å; F814-Y817 PolarHBondContact O-N 3.16Å; Y817-L819 VanDerWaalsContact C-N 3.33Å; Y817-L819 PolarHBondContact O-N 2.64Å; Y817-T820 PolarHBondContact O-N 2.87Å; Y817-T820 PolarHBondContact O-OG1 3.06Å; Y817-T821 WeakPolarHBondContact CE2-OG1 3.44Å; Y817-T821 WeakPolarHBondContact O-CB 3.28Å; Y817-T821 PolarHBondContact O-N 2.78Å; Y817-T821 PolarHBondContact O-OG1 3Å
818	V	89.7	Confident	85.1	Confident	70 Å²	70	103.2 Å²	103.2	42%	0.424	52%	0.523	S	S	.	.	H	α-helix	trans	-60.1	-44.4	178.9	171.1	0	0	0	0	111	F814 K815 T821 F822	F814-V818 HydrophobicContact CD1-CG2 4.12Å; F814-V818 HydrophobicContact CE1-CG2 3.72Å; F814-V818 HydrophobicContact CE2-CG2 4.19Å; F814-V818 HydrophobicContact CZ-CG2 3.76Å; F814-V818 WeakPolarHBondContact O-CG2 3.31Å; F814-V818 PolarHBondContact O-N 3.1Å; K815-V818 PolarHBondContact O-N 3.14Å; V818-T821 PolarHBondContact O-N 3.25Å; V818-F822 WeakPolarHBondContact O-CB 3.28Å; V818-F822 PolarHBondContact O-N 3.2Å
819	L	89.4	Confident	85.9	Confident	107 Å²	107	104.7 Å²	104.7	56%	0.56	52%	0.521	S	S	*	.	H	α-helix	trans	-63.5	-46	180	-170.7	120.2	0	0	0	112.3	K815 M816 Y817 F822 F823	K815-L819 WeakPolarHBondContact O-CB 3.15Å; K815-L819 PolarHBondContact O-N 2.9Å; M816-L819 PolarHBondContact O-N 2.78Å; Y817-L819 VanDerWaalsContact C-N 3.33Å; Y817-L819 PolarHBondContact O-N 2.64Å; L819-F822 PolarHBondContact O-N 3.22Å; L819-F823 PolarHBondContact O-N 3.39Å; L819-F823 VanDerWaalsContact O-N 3.08Å
820	T	91.1	Very high	86.6	Confident	67 Å²	67	103.8 Å²	103.8	41%	0.411	52%	0.519	S	S	.	.	H	α-helix	trans	-66.8	-41.5	178.4	54.4	0	0	0	0	112.2	M816 Y817 F822 F823 L824	M816-T820 VanDerWaalsContact O-CG2 3.3Å; M816-T820 WeakPolarHBondContact O-CG2 3.2Å; M816-T820 PolarHBondContact O-N 3.47Å; M816-T820 PolarHBondContact O-OG1 2.8Å; Y817-T820 PolarHBondContact O-N 2.87Å; Y817-T820 PolarHBondContact O-OG1 3.06Å; T820-F822 PolarHBondContact O-N 2.98Å; T820-F823 PolarHBondContact O-N 3.47Å; T820-L824 WeakPolarHBondContact O-CG 3.26Å; T820-L824 PolarHBondContact O-N 2.91Å
821	T	91.6	Very high	87.2	Confident	39 Å²	39	100 Å²	100	24%	0.239	51%	0.506	C	S	.	.	H	α-helix	trans	-64	-41.9	177.4	-43.6	0	0	0	0	111.3	Y817 V818 F823 L824 I825	Y817-T821 WeakPolarHBondContact CE2-OG1 3.44Å; Y817-T821 WeakPolarHBondContact O-CB 3.28Å; Y817-T821 PolarHBondContact O-N 2.78Å; Y817-T821 PolarHBondContact O-OG1 3Å; V818-T821 PolarHBondContact O-N 3.25Å; T821-F823 PolarHBondContact O-N 2.96Å; T821-L824 PolarHBondContact O-N 2.92Å; T821-I825 HydrophobicContact CG2-CD1 4.06Å; T821-I825 WeakPolarHBondContact O-CG1 2.95Å; T821-I825 PolarHBondContact O-N 2.94Å
822	F	92.6	Very high	87.6	Confident	149 Å²	149	99 Å²	99	65%	0.654	50%	0.503	S	S	*	.	H	α-helix	trans	-60.4	-44.9	174.6	177.7	-97.5	0	0	0	112	V818 L819 T820 L824 I825 S826	V818-F822 WeakPolarHBondContact O-CB 3.28Å; V818-F822 PolarHBondContact O-N 3.2Å; L819-F822 PolarHBondContact O-N 3.22Å; T820-F822 PolarHBondContact O-N 2.98Å; F822-L824 PolarHBondContact O-N 3.02Å; F822-I825 PolarHBondContact O-N 2.95Å; F822-S826 WeakPolarHBondContact O-CB 3.13Å; F822-S826 PolarHBondContact O-N 3.3Å
823	F	91.3	Very high	87.7	Confident	137 Å²	137	96 Å²	96	60%	0.601	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-43.8	177.6	-170.9	-93.8	0	0	0	111.9	L819 T820 T821 S826 F827	L819-F823 PolarHBondContact O-N 3.39Å; L819-F823 VanDerWaalsContact O-N 3.08Å; T820-F823 PolarHBondContact O-N 3.47Å; T821-F823 PolarHBondContact O-N 2.96Å; F823-S826 PolarHBondContact O-N 2.99Å; F823-F827 VanDerWaalsContact O-CB 3.31Å; F823-F827 WeakPolarHBondContact O-CB 3.16Å; F823-F827 PolarHBondContact O-N 2.8Å
824	L	93	Very high	87.6	Confident	109 Å²	109	96.7 Å²	96.7	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-62	-46.2	177.4	-74.5	170.4	0	0	0	112.3	T820 T821 F822 F827 M828	T820-L824 WeakPolarHBondContact O-CG 3.26Å; T820-L824 PolarHBondContact O-N 2.91Å; T821-L824 PolarHBondContact O-N 2.92Å; F822-L824 PolarHBondContact O-N 3.02Å; L824-F827 PolarHBondContact O-N 2.8Å; L824-M828 WeakPolarHBondContact O-CB 3.06Å; L824-M828 WeakPolarHBondContact O-CG 3.47Å; L824-M828 PolarHBondContact O-N 3.38Å
825	I	91.4	Very high	87.5	Confident	109 Å²	109	97.8 Å²	97.8	56%	0.559	50%	0.503	S	S	*	.	H	α-helix	trans	-65	-44.3	178.9	-67.6	168.5	0	0	0	110.7	T821 F822 M828 F829	T821-I825 HydrophobicContact CG2-CD1 4.06Å; T821-I825 WeakPolarHBondContact O-CG1 2.95Å; T821-I825 PolarHBondContact O-N 2.94Å; F822-I825 PolarHBondContact O-N 2.95Å; I825-M828 PolarHBondContact O-N 2.91Å; I825-F829 WeakPolarHBondContact O-CB 3.4Å; I825-F829 PolarHBondContact O-N 2.92Å
826	S	88.1	Confident	87.1	Confident	53 Å²	53	98.4 Å²	98.4	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-45.5	177.8	-176.1	0	0	0	0	111.5	F822 F823 F829 V830	F822-S826 WeakPolarHBondContact O-CB 3.13Å; F822-S826 PolarHBondContact O-N 3.3Å; F823-S826 PolarHBondContact O-N 2.99Å; S826-F829 PolarHBondContact O-N 3.02Å; S826-V830 WeakPolarHBondContact O-CG2 3.34Å; S826-V830 PolarHBondContact O-N 3.05Å
827	F	91.4	Very high	86.4	Confident	134 Å²	134	99 Å²	99	59%	0.588	51%	0.511	S	S	*	.	H	α-helix	trans	-61.4	-45.9	176.6	-178.2	-97.4	0	0	0	111.9	F823 L824 F829 V830 A831	F823-F827 VanDerWaalsContact O-CB 3.31Å; F823-F827 WeakPolarHBondContact O-CB 3.16Å; F823-F827 PolarHBondContact O-N 2.8Å; L824-F827 PolarHBondContact O-N 2.8Å; F827-F829 PolarHBondContact O-N 3.15Å; F827-V830 PolarHBondContact O-N 3.18Å; F827-A831 WeakPolarHBondContact O-CB 3.32Å; F827-A831 PolarHBondContact O-N 2.95Å
828	M	89.9	Confident	85.7	Confident	125 Å²	125	99.1 Å²	99.1	62%	0.616	51%	0.512	S	S	*	.	H	α-helix	trans	-60.1	-44.7	175.2	-82.5	-170.8	53.4	0	0	112.2	L824 I825 A831 T832	L824-M828 WeakPolarHBondContact O-CB 3.06Å; L824-M828 WeakPolarHBondContact O-CG 3.47Å; L824-M828 PolarHBondContact O-N 3.38Å; I825-M828 PolarHBondContact O-N 2.91Å; M828-A831 PolarHBondContact O-N 3.39Å; M828-T832 WeakPolarHBondContact O-CG2 3.22Å; M828-T832 PolarHBondContact O-N 3.32Å; M828-T832 PolarHBondContact O-OG1 2.82Å
829	F	87.8	Confident	84.3	Confident	137 Å²	137	105.2 Å²	105.2	60%	0.601	53%	0.527	S	S	*	.	H	α-helix	trans	-63.1	-45.1	178.4	179	-98.9	0	0	0	112	I825 S826 F827 A831 T832 V833	I825-F829 WeakPolarHBondContact O-CB 3.4Å; I825-F829 PolarHBondContact O-N 2.92Å; S826-F829 PolarHBondContact O-N 3.02Å; F827-F829 PolarHBondContact O-N 3.15Å; F829-A831 VanDerWaalsContact C-N 3.33Å; F829-A831 PolarHBondContact O-N 2.83Å; F829-T832 WeakPolarHBondContact CA-OG1 3.38Å; F829-T832 PolarHBondContact O-N 3.15Å; F829-T832 PolarHBondContact O-OG1 3.3Å; F829-V833 HydrophobicContact CD1-CG2 4.15Å; F829-V833 HydrophobicContact CD2-CG2 4.18Å; F829-V833 HydrophobicContact CE1-CG2 3.78Å; F829-V833 HydrophobicContact CE2-CG2 3.81Å; F829-V833 HydrophobicContact CG-CG2 4.34Å; F829-V833 HydrophobicContact CZ-CG2 3.61Å; F829-V833 VanDerWaalsContact O-CB 3.3Å; F829-V833 WeakPolarHBondContact O-CB 3.32Å; F829-V833 VanDerWaalsContact O-CG2 3.22Å; F829-V833 WeakPolarHBondContact O-CG2 3.39Å; F829-V833 PolarHBondContact O-N 3.16Å
830	V	85.9	Confident	83	Confident	90 Å²	90	104.2 Å²	104.2	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-41.9	176.7	172.7	0	0	0	0	110.6	S826 F827 A834	S826-V830 WeakPolarHBondContact O-CG2 3.34Å; S826-V830 PolarHBondContact O-N 3.05Å; F827-V830 PolarHBondContact O-N 3.18Å; V830-A834 WeakPolarHBondContact O-CB 3.48Å; V830-A834 PolarHBondContact O-N 3.09Å
831	A	84.4	Confident	81.9	Confident	50 Å²	50	103.9 Å²	103.9	41%	0.413	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-41.8	177.5	0	0	0	0	0	112.5	F827 M828 F829 H835	F827-A831 WeakPolarHBondContact O-CB 3.32Å; F827-A831 PolarHBondContact O-N 2.95Å; M828-A831 PolarHBondContact O-N 3.39Å; F829-A831 VanDerWaalsContact C-N 3.33Å; F829-A831 PolarHBondContact O-N 2.83Å; A831-H835 WeakPolarHBondContact O-CB 3.21Å; A831-H835 PolarHBondContact O-N 3.04Å
832	T	83.1	Confident	80.7	Confident	67 Å²	67	104 Å²	104	41%	0.411	53%	0.529	S	S	.	.	H	α-helix	trans	-70.2	-43.7	177.9	51.8	0	0	0	0	112.1	M828 F829 A834 H835 L836	M828-T832 WeakPolarHBondContact O-CG2 3.22Å; M828-T832 PolarHBondContact O-N 3.32Å; M828-T832 PolarHBondContact O-OG1 2.82Å; F829-T832 WeakPolarHBondContact CA-OG1 3.38Å; F829-T832 PolarHBondContact O-N 3.15Å; F829-T832 PolarHBondContact O-OG1 3.3Å; T832-A834 VanDerWaalsContact C-N 3.34Å; T832-H835 PolarHBondContact O-N 3.15Å; T832-L836 WeakPolarHBondContact O-CB 3.14Å; T832-L836 PolarHBondContact O-N 2.91Å
833	V	80.1	Confident	79.4	Confident	52 Å²	52	104.3 Å²	104.3	32%	0.315	53%	0.527	S	S	.	.	H	α-helix	trans	-61.1	-44.8	173.9	169.8	0	0	0	0	110.4	F829 H835 L836 F837	F829-V833 HydrophobicContact CD1-CG2 4.15Å; F829-V833 HydrophobicContact CD2-CG2 4.18Å; F829-V833 HydrophobicContact CE1-CG2 3.78Å; F829-V833 HydrophobicContact CE2-CG2 3.81Å; F829-V833 HydrophobicContact CG-CG2 4.34Å; F829-V833 HydrophobicContact CZ-CG2 3.61Å; F829-V833 VanDerWaalsContact O-CB 3.3Å; F829-V833 WeakPolarHBondContact O-CB 3.32Å; F829-V833 VanDerWaalsContact O-CG2 3.22Å; F829-V833 WeakPolarHBondContact O-CG2 3.39Å; F829-V833 PolarHBondContact O-N 3.16Å; V833-H835 VanDerWaalsContact C-N 3.28Å; V833-H835 PolarHBondContact O-N 2.65Å; V833-L836 PolarHBondContact O-N 3.39Å; V833-F837 HydrophobicContact CB-CD2 4.38Å; V833-F837 HydrophobicContact CG1-CD2 3.85Å; V833-F837 WeakPolarHBondContact O-CB 3.37Å; V833-F837 WeakPolarHBondContact O-CD2 3.44Å; V833-F837 PolarHBondContact O-N 2.97Å
834	A	77.7	Confident	78.5	Confident	56 Å²	56	101.6 Å²	101.6	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-34.8	176.5	0	0	0	0	0	112.2	V830 T832 Y838	V830-A834 WeakPolarHBondContact O-CB 3.48Å; V830-A834 PolarHBondContact O-N 3.09Å; T832-A834 VanDerWaalsContact C-N 3.34Å; A834-Y838 WeakPolarHBondContact O-CA 3.24Å; A834-Y838 WeakPolarHBondContact O-CB 3.29Å; A834-Y838 PolarHBondContact O-N 2.86Å
835	H	80.3	Confident	77.5	Confident	155 Å²	155	102.2 Å²	102.2	72%	0.718	52%	0.524	S	S	*	.	H	α-helix	trans	-75.4	-46.5	177	-175.1	41	0	0	0	113	A831 T832 V833	A831-H835 WeakPolarHBondContact O-CB 3.21Å; A831-H835 PolarHBondContact O-N 3.04Å; T832-H835 PolarHBondContact O-N 3.15Å; V833-H835 VanDerWaalsContact C-N 3.28Å; V833-H835 PolarHBondContact O-N 2.65Å
836	L	75.7	Confident	76.3	Confident	123 Å²	123	102.5 Å²	102.5	64%	0.644	52%	0.523	S	S	*	.	H	α-helix	trans	-67.1	-47	-179.1	-105	120	0	0	0	112.1	T832 V833	T832-L836 WeakPolarHBondContact O-CB 3.14Å; T832-L836 PolarHBondContact O-N 2.91Å; V833-L836 PolarHBondContact O-N 3.39Å
837	F	72.3	Confident	75.1	Confident	106 Å²	106	106 Å²	106	47%	0.465	53%	0.529	S	S	.	.	S	Bend	trans	-99.1	11.8	-173.1	-61.4	-79.5	0	0	0	113	V833 W839 D840 A841	V833-F837 HydrophobicContact CB-CD2 4.38Å; V833-F837 HydrophobicContact CG1-CD2 3.85Å; V833-F837 WeakPolarHBondContact O-CB 3.37Å; V833-F837 WeakPolarHBondContact O-CD2 3.44Å; V833-F837 PolarHBondContact O-N 2.97Å; F837-W839 VanDerWaalsContact C-N 3.27Å; F837-W839 PolarHBondContact O-N 2.93Å; F837-D840 HydrophobicContact CB-CB 4.41Å; F837-D840 HydrophobicContact CD1-CB 4.28Å; F837-D840 WeakPolarHBondContact CD1-OD2 3.33Å; F837-D840 PolarHBondContact O-N 2.79Å; F837-A841 VanDerWaalsContact O-CB 3.28Å; F837-A841 WeakPolarHBondContact O-CB 3.41Å; F837-A841 PolarHBondContact O-N 3.43Å
838	Y	72.6	Confident	74	Confident	147 Å²	147	103 Å²	103	58%	0.576	52%	0.522	S	S	*	.	H	α-helix	trans	-53.6	-48	177.5	-175.8	-105.8	0	0	0	111.6	A834 S842	A834-Y838 WeakPolarHBondContact O-CA 3.24Å; A834-Y838 WeakPolarHBondContact O-CB 3.29Å; A834-Y838 PolarHBondContact O-N 2.86Å; Y838-S842 VanDerWaalsContact O-CB 3.23Å; Y838-S842 WeakPolarHBondContact O-CB 3.32Å; Y838-S842 PolarHBondContact O-N 3.18Å
839	W	60.7	Low	72.9	Confident	197 Å²	197	103.1 Å²	103.1	75%	0.746	52%	0.519	S	S	*	.	H	α-helix	trans	-71.5	-37.3	-178.9	-65.7	106.8	0	0	0	111.8	F837 Y843	F837-W839 VanDerWaalsContact C-N 3.27Å; F837-W839 PolarHBondContact O-N 2.93Å; W839-Y843 WeakPolarHBondContact O-CB 3.23Å; W839-Y843 PolarHBondContact O-N 3.31Å
840	D	62.9	Low	71.3	Confident	86 Å²	86	99.8 Å²	99.8	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-69.3	-42.4	177.2	-64.2	-35.2	0	0	0	112.1	F837 Y843 V844	F837-D840 HydrophobicContact CB-CB 4.41Å; F837-D840 HydrophobicContact CD1-CB 4.28Å; F837-D840 WeakPolarHBondContact CD1-OD2 3.33Å; F837-D840 PolarHBondContact O-N 2.79Å; D840-Y843 PolarHBondContact O-N 3.26Å; D840-V844 WeakPolarHBondContact O-CB 3.37Å; D840-V844 WeakPolarHBondContact O-CG2 3.42Å; D840-V844 PolarHBondContact O-N 3.25Å
841	A	67.3	Low	69.8	Low	61 Å²	61	104.8 Å²	104.8	50%	0.504	53%	0.525	S	S	.	.	H	α-helix	trans	-67.6	-39.9	176	0	0	0	0	0	111.3	F837 V844 L845	F837-A841 VanDerWaalsContact O-CB 3.28Å; F837-A841 WeakPolarHBondContact O-CB 3.41Å; F837-A841 PolarHBondContact O-N 3.43Å; A841-V844 PolarHBondContact O-N 3.27Å; A841-L845 WeakPolarHBondContact O-CB 3.28Å; A841-L845 PolarHBondContact O-N 3.08Å
842	S	66.1	Low	68.7	Low	40 Å²	40	109.3 Å²	109.3	28%	0.28	54%	0.542	S	S	.	.	H	α-helix	trans	-61.2	-46	171.3	-175.1	0	0	0	0	111.2	Y838 L845 H846	Y838-S842 VanDerWaalsContact O-CB 3.23Å; Y838-S842 WeakPolarHBondContact O-CB 3.32Å; Y838-S842 PolarHBondContact O-N 3.18Å; S842-L845 PolarHBondContact O-N 2.74Å; S842-H846 WeakPolarHBondContact O-CB 3.33Å; S842-H846 PolarHBondContact O-CD2 2.67Å; S842-H846 PolarHBondContact O-N 2.99Å
843	Y	66.4	Low	67.2	Low	157 Å²	157	113.8 Å²	113.8	62%	0.616	56%	0.556	S	S	*	*	H	α-helix	trans	-61.9	-46.5	176.6	-179.4	-96.7	0	0	0	112	W839 D840 L845 H846 Y847	W839-Y843 WeakPolarHBondContact O-CB 3.23Å; W839-Y843 PolarHBondContact O-N 3.31Å; D840-Y843 PolarHBondContact O-N 3.26Å; Y843-L845 VanDerWaalsContact C-N 3.33Å; Y843-L845 PolarHBondContact O-N 2.91Å; Y843-H846 CarbonylContact O-C 3.36Å; Y843-H846 PolarHBondContact O-N 3.18Å; Y843-Y847 WeakPolarHBondContact O-CB 3.37Å; Y843-Y847 PolarHBondContact O-N 3.35Å
844	V	71.6	Confident	65.6	Low	80 Å²	80	113.6 Å²	113.6	49%	0.485	56%	0.564	S	S	.	*	H	α-helix	trans	-62.4	-40.3	175.9	169.7	0	0	0	0	110.8	D840 A841 Y847 V848	D840-V844 WeakPolarHBondContact O-CB 3.37Å; D840-V844 WeakPolarHBondContact O-CG2 3.42Å; D840-V844 PolarHBondContact O-N 3.25Å; A841-V844 PolarHBondContact O-N 3.27Å; V844-Y847 PolarHBondContact O-N 3.43Å; V844-V848 HydrophobicContact CG1-CG2 4.21Å; V844-V848 WeakPolarHBondContact O-CB 3.3Å; V844-V848 WeakPolarHBondContact O-CG2 3.43Å; V844-V848 PolarHBondContact O-N 3.4Å
845	L	71.6	Confident	63.9	Low	121 Å²	121	121 Å²	121	63%	0.634	58%	0.581	S	S	*	*	H	α-helix	trans	-68.9	-38.8	178.3	-161.2	138.6	0	0	0	111.4	A841 S842 Y843 K849	A841-L845 WeakPolarHBondContact O-CB 3.28Å; A841-L845 PolarHBondContact O-N 3.08Å; S842-L845 PolarHBondContact O-N 2.74Å; Y843-L845 VanDerWaalsContact C-N 3.33Å; Y843-L845 PolarHBondContact O-N 2.91Å; L845-K849 WeakPolarHBondContact O-CB 3.3Å; L845-K849 PolarHBondContact O-N 3Å
846	H	65.9	Low	61.8	Low	115 Å²	115	124.1 Å²	124.1	53%	0.532	59%	0.587	S	S	.	*	H	α-helix	trans	-67.3	-37.7	170.7	-78.7	-67	0	0	0	112.7	S842 Y843 K849 A850	S842-H846 WeakPolarHBondContact O-CB 3.33Å; S842-H846 PolarHBondContact O-CD2 2.67Å; S842-H846 PolarHBondContact O-N 2.99Å; Y843-H846 CarbonylContact O-C 3.36Å; Y843-H846 PolarHBondContact O-N 3.18Å; H846-K849 PolarHBondContact O-N 3Å; H846-A850 WeakPolarHBondContact O-CB 3.19Å; H846-A850 PolarHBondContact O-N 3.33Å
847	Y	63.9	Low	59.9	Low	127 Å²	127	123 Å²	123	50%	0.498	60%	0.596	S	S	.	*	H	α-helix	trans	-67.6	-44.6	176.8	179	-95.2	0	0	0	112.1	Y843 V844 K849 A850 R851	Y843-Y847 WeakPolarHBondContact O-CB 3.37Å; Y843-Y847 PolarHBondContact O-N 3.35Å; V844-Y847 PolarHBondContact O-N 3.43Å; Y847-K849 VanDerWaalsContact C-N 3.34Å; Y847-A850 WeakPolarHBondContact O-CB 3.4Å; Y847-A850 PolarHBondContact O-N 2.79Å; Y847-R851 WeakPolarHBondContact O-CB 3.39Å; Y847-R851 PolarHBondContact O-N 2.85Å
848	V	68.3	Low	58	Low	72 Å²	72	125.5 Å²	125.5	44%	0.436	61%	0.613	S	S	.	*	H	α-helix	trans	-65.3	-39.6	174.4	171.3	0	0	0	0	110.6	V844 A850 R851 L852	V844-V848 HydrophobicContact CG1-CG2 4.21Å; V844-V848 WeakPolarHBondContact O-CB 3.3Å; V844-V848 WeakPolarHBondContact O-CG2 3.43Å; V844-V848 PolarHBondContact O-N 3.4Å; V848-A850 VanDerWaalsContact C-N 3.3Å; V848-A850 PolarHBondContact O-N 2.79Å; V848-R851 PolarHBondContact O-N 2.93Å; V848-L852 HydrophobicContact CG1-CD1 4.09Å; V848-L852 PolarHBondContact O-N 2.69Å
849	K	65.4	Low	56.3	Low	127 Å²	127	123.4 Å²	123.4	55%	0.552	62%	0.62	S	S	*	*	H	α-helix	trans	-64.3	-33.5	173.4	-167.9	176.6	-174.1	177.4	0	112.4	L845 H846 Y847	L845-K849 WeakPolarHBondContact O-CB 3.3Å; L845-K849 PolarHBondContact O-N 3Å; H846-K849 PolarHBondContact O-N 3Å; Y847-K849 VanDerWaalsContact C-N 3.34Å
850	A	54.9	Low	55.4	Low	66 Å²	66	118.8 Å²	118.8	55%	0.545	62%	0.618	S	S	.	*	H	α-helix	trans	-71.6	-38.9	172.6	0	0	0	0	0	112	H846 Y847 V848 L852 K853	H846-A850 WeakPolarHBondContact O-CB 3.19Å; H846-A850 PolarHBondContact O-N 3.33Å; Y847-A850 WeakPolarHBondContact O-CB 3.4Å; Y847-A850 PolarHBondContact O-N 2.79Å; V848-A850 VanDerWaalsContact C-N 3.3Å; V848-A850 PolarHBondContact O-N 2.79Å; A850-L852 PolarHBondContact O-N 3.46Å; A850-K853 PolarHBondContact O-N 2.93Å
851	R	54.9	Low	54.5	Low	195 Å²	195	123.1 Å²	123.1	74%	0.736	64%	0.635	S	S	*	*	H	α-helix	trans	-66.9	-33.2	178.1	-154.6	178.2	-176.1	-175.8	2.7	113.1	Y847 V848	Y847-R851 WeakPolarHBondContact O-CB 3.39Å; Y847-R851 PolarHBondContact O-N 2.85Å; V848-R851 PolarHBondContact O-N 2.93Å
852	L	60.7	Low	53.9	Low	146 Å²	146	128.4 Å²	128.4	76%	0.764	65%	0.65	S	S	*	*	H	α-helix	trans	-73.6	-21.5	175.3	-84.8	158.6	0	0	0	114.1	V848 A850	V848-L852 HydrophobicContact CG1-CD1 4.09Å; V848-L852 PolarHBondContact O-N 2.69Å; A850-L852 PolarHBondContact O-N 3.46Å
853	K	52.1	Low	53.6	Low	161 Å²	161	129.1 Å²	129.1	70%	0.7	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-3	-178.5	-96	-173.1	175	-171.5	0	115	A850	A850-K853 PolarHBondContact O-N 2.93Å
854	G	47	Very low	53.8	Low	48 Å²	48	127 Å²	127	50%	0.495	65%	0.648	S	S	.	*			trans	32.7	108.9	170.8	0	0	0	0	0	117.8
855	Y	41.8	Very low	54.1	Low	210 Å²	210	126 Å²	126	82%	0.824	64%	0.636	S	S	*	*			trans	-144.9	135.6	154.6	-76.6	-73	0	0	0	114
856	R	35.3	Very low	54.6	Low	221 Å²	221	120.9 Å²	120.9	83%	0.834	61%	0.609	S	S	*	*			trans	30	125.4	146.6	-68.3	177.7	177.1	169.1	-1.3	118.9	L858	R856-L858 PolarHBondContact O-N 3.49Å
857	A	35.9	Very low	55.6	Low	101 Å²	101	115.4 Å²	115.4	84%	0.835	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-54.1	124.7	158.2	0	0	0	0	0	109.6	S859	A857-S859 PolarHBondContact O-N 3.01Å
858	L	32.8	Very low	56.9	Low	158 Å²	158	109.3 Å²	109.3	83%	0.827	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-63.1	130.6	153.2	-99.3	88.2	0	0	0	106.7	R856	R856-L858 PolarHBondContact O-N 3.49Å
859	S	37.8	Very low	57.9	Low	102 Å²	102	105.9 Å²	105.9	71%	0.713	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-48	141.4	158.1	53.6	0	0	0	0	108.9	A857 Q861	A857-S859 PolarHBondContact O-N 3.01Å; S859-Q861 PolarHBondContact O-N 3.3Å
860	S	41.7	Very low	59.1	Low	101 Å²	101	99.9 Å²	99.9	71%	0.706	51%	0.513	S	S	*	.			trans	-36.3	125.4	173	55	0	0	0	0	110.8	E862	S860-E862 PolarHBondContact O-N 2.86Å; S860-E862 VanDerWaalsContact O-N 3.11Å
861	Q	42.9	Very low	60.7	Low	176 Å²	176	96.8 Å²	96.8	82%	0.822	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-57.9	120.1	152.7	-100.2	176.9	-33.2	0	0	105.6	S859 N863	S859-Q861 PolarHBondContact O-N 3.3Å; Q861-N863 PolarHBondContact O-N 3.14Å
862	E	54.6	Low	62.3	Low	173 Å²	173	88.5 Å²	88.5	81%	0.808	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-53.5	129.2	170.5	-68.5	178.4	145.7	0	0	108	S860 I864	S860-E862 PolarHBondContact O-N 2.86Å; S860-E862 VanDerWaalsContact O-N 3.11Å; E862-I864 PolarHBondContact O-N 2.94Å
863	N	59.6	Low	63.3	Low	54 Å²	54	83.7 Å²	83.7	29%	0.289	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-57.3	123.8	170	-68.8	-10.2	0	0	0	107.9	Q861 Y865 N923 S924 R925	Q861-N863 PolarHBondContact O-N 3.14Å; N863-Y865 PolarHBondContact O-N 3.45Å; N863-N923 CarbonylContact C-O 3.56Å; N863-N923 WeakPolarHBondContact CA-O 3.4Å; N863-N923 WeakPolarHBondContact CB-O 3.42Å; N863-S924 PolarHBondContact ND2-O 3.36Å; N863-R925 HydrophobicContact CB-CG 3.85Å; N863-R925 VanDerWaalsContact ND2-CA 3.27Å; N863-R925 WeakPolarHBondContact ND2-CA 3.49Å; N863-R925 WeakPolarHBondContact ND2-CG 3.32Å; N863-R925 PolarHBondContact ND2-N 3.36Å
864	I	71.3	Confident	64.7	Low	113 Å²	113	85 Å²	85	58%	0.579	44%	0.44	S	S	*	.	S	Bend	trans	-67	-30.6	-175.9	-60.4	168	0	0	0	110.4	E862 N923	E862-I864 PolarHBondContact O-N 2.94Å; I864-N923 PolarHBondContact N-O 2.85Å; I864-N923 VanDerWaalsContact N-O 3.08Å
865	Y	77.1	Confident	66.5	Low	59 Å²	59	85.2 Å²	85.2	23%	0.231	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.2	177.8	-60.2	-82.4	0	0	0	111.4	N863 P899 L900 C901 N923 S924 R925	N863-Y865 PolarHBondContact O-N 3.45Å; Y865-P899 HydrophobicContact CD1-CB 4.14Å; Y865-L900 VanDerWaalsContact CD1-C 3.42Å; Y865-L900 VanDerWaalsContact CD1-O 3.29Å; Y865-L900 WeakPolarHBondContact CD1-O 3.29Å; Y865-L900 WeakPolarHBondContact CE1-O 3.48Å; Y865-C901 HydrophobicContact CD1-CB 3.9Å; Y865-C901 HydrophobicContact CD2-CB 3.72Å; Y865-C901 HydrophobicContact CE1-CB 4.25Å; Y865-C901 HydrophobicContact CE2-CB 4.1Å; Y865-C901 HydrophobicContact CG-CB 3.61Å; Y865-N923 PolarHBondContact N-O 3.04Å; Y865-S924 CarbonylContact O-C 3.58Å; Y865-S924 VanDerWaalsContact O-CA 3.25Å; Y865-S924 WeakPolarHBondContact O-CA 3.43Å; Y865-R925 PolarHBondContact O-N 3.03Å
866	D	82.2	Confident	68.4	Low	13 Å²	13	79.9 Å²	79.9	7%	0.07	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-32.5	175.9	-77.5	-10.2	0	0	0	111.6	L898 P899 R925 K926	D866-L898 HydrophobicContact CB-CB 4.16Å; D866-L898 HydrophobicContact CB-CD2 4.04Å; D866-L898 WeakPolarHBondContact OD2-CD2 3.49Å; D866-P899 HydrophobicContact CB-CG 4.47Å; D866-P899 PolarHBondContact N-O 2.79Å; D866-R925 WeakPolarHBondContact O-CB 3.39Å; D866-R925 PolarHBondContact O-N 2.9Å; D866-R925 IonicContact OD1-CZ 3.94Å; D866-R925 IonicContact OD1-NE 2.7Å; D866-R925 PolarHBondContact OD1-NE 3.33Å; D866-R925 IonicContact OD1-NH2 2.6Å; D866-R925 PolarHBondContact OD1-NH2 2.75Å; D866-R925 IonicContact OD2-CZ 3.4Å; D866-R925 IonicContact OD2-NH2 2.9Å; D866-R925 PolarHBondContact OD2-NH2 3.21Å; D866-K926 PolarHBondContact O-N 3.18Å
867	I	86.3	Confident	70.6	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	129.9	178.7	-39.5	177.3	0	0	0	109.7	V869 L890 P899 L900 C901 K926 L928 V1007	I867-V869 HydrophobicContact CG2-CG2 4.03Å; I867-L890 HydrophobicContact CD1-CD1 3.95Å; I867-P899 PolarHBondContact N-O 3.22Å; I867-L900 HydrophobicContact CB-CD2 3.6Å; I867-L900 HydrophobicContact CD1-CD2 3.57Å; I867-L900 HydrophobicContact CG1-CD2 3.84Å; I867-L900 HydrophobicContact CG2-CD2 4.42Å; I867-L900 CarbonylContact O-C 3.47Å; I867-L900 VanDerWaalsContact O-CA 3.32Å; I867-L900 WeakPolarHBondContact O-CA 3.19Å; I867-C901 PolarHBondContact O-N 2.89Å; I867-K926 CarbonylContact C-O 3.53Å; I867-K926 VanDerWaalsContact CA-O 3.32Å; I867-K926 WeakPolarHBondContact CA-O 3.34Å; I867-L928 HydrophobicContact CG2-CB 3.5Å; I867-L928 VanDerWaalsContact CG2-CB 3.5Å; I867-V1007 HydrophobicContact CD1-CB 4.07Å; I867-V1007 HydrophobicContact CD1-CG1 3.42Å; I867-V1007 VanDerWaalsContact CD1-CG1 3.42Å; I867-V1007 HydrophobicContact CD1-CG2 3.56Å; I867-V1007 HydrophobicContact CG1-CB 4.49Å; I867-V1007 HydrophobicContact CG1-CG1 3.43Å; I867-V1007 VanDerWaalsContact CG1-CG1 3.43Å; I867-V1007 HydrophobicContact CG1-CG2 4.27Å
868	F	91.4	Very high	72.9	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.8	157.6	171.7	-126.5	0	0	0	109	C901 E903 W907 L917 I921 S924 K926 T927 L928	F868-C901 HydrophobicContact CB-CB 4.29Å; F868-C901 HydrophobicContact CD2-CB 3.96Å; F868-C901 VanDerWaalsContact CD2-O 3.32Å; F868-C901 WeakPolarHBondContact CD2-O 3.02Å; F868-E903 HydrophobicContact CE2-CG 3.9Å; F868-E903 HydrophobicContact CZ-CG 3.97Å; F868-W907 HydrophobicContact CE2-CZ2 4.29Å; F868-W907 AromaticContact CZ-CZ2 3.98Å; F868-W907 HydrophobicContact CZ-CZ2 3.98Å; F868-L917 HydrophobicContact CE1-CD2 4.04Å; F868-L917 HydrophobicContact CZ-CD2 3.94Å; F868-I921 HydrophobicContact CD1-CG1 3.7Å; F868-I921 HydrophobicContact CE1-CG1 3.95Å; F868-S924 VanDerWaalsContact CB-OG 3.31Å; F868-S924 WeakPolarHBondContact CB-OG 3.38Å; F868-S924 PolarHBondContact N-OG 3.1Å; F868-K926 PolarHBondContact N-O 3.15Å; F868-T927 HydrophobicContact CD1-CG2 3.68Å; F868-T927 HydrophobicContact CE1-CG2 4.33Å; F868-T927 CarbonylContact O-C 3.31Å; F868-T927 VanDerWaalsContact O-CA 3.28Å; F868-T927 WeakPolarHBondContact O-CA 3.48Å; F868-L928 PolarHBondContact O-N 3.32Å
869	V	90.2	Very high	75.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.2	178.7	-168.7	0	0	0	0	109.5	I867 Y871 L886 L900 C901 L902 L928 V930	I867-V869 HydrophobicContact CG2-CG2 4.03Å; V869-Y871 HydrophobicContact CG1-CD1 4.18Å; V869-L886 HydrophobicContact CG1-CD2 3.81Å; V869-L886 HydrophobicContact CG2-CD2 4.13Å; V869-L900 HydrophobicContact CG2-CD2 4.13Å; V869-C901 PolarHBondContact N-O 3.44Å; V869-L902 HydrophobicContact CB-CD2 3.7Å; V869-L902 HydrophobicContact CG2-CD2 3.94Å; V869-L928 WeakPolarHBondContact CA-O 3.41Å; V869-L928 HydrophobicContact CG1-CB 4.47Å; V869-L928 HydrophobicContact CG1-CD2 4.35Å; V869-L928 HydrophobicContact CG2-CB 4.34Å; V869-L928 HydrophobicContact CG2-CD2 4.3Å; V869-V930 HydrophobicContact CG1-CG2 3.76Å
870	T	89.9	Confident	77.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.5	176.5	-168.4	0	0	0	0	109.9	E903 T927 L928 F929 V930 Y935	T870-E903 WeakPolarHBondContact CB-OE1 3.49Å; T870-E903 PolarHBondContact OG1-OE1 3.16Å; T870-T927 HydrophobicContact CG2-CG2 4.36Å; T870-L928 PolarHBondContact N-O 3.29Å; T870-F929 HydrophobicContact CG2-CB 4.44Å; T870-F929 HydrophobicContact CG2-CD1 3.22Å; T870-F929 HydrophobicContact CG2-CE1 3.42Å; T870-F929 VanDerWaalsContact CG2-CE1 3.42Å; T870-F929 HydrophobicContact CG2-CG 3.86Å; T870-F929 HydrophobicContact CG2-CZ 4.19Å; T870-V930 PolarHBondContact O-N 2.97Å; T870-Y935 WeakPolarHBondContact CG2-OH 3.37Å; T870-Y935 PolarHBondContact OG1-OH 3.11Å
871	Y	89.8	Confident	79.9	Confident	1 Å²	1	66.3 Å²	66.3	0%	0.004	32%	0.315	C	S	.	.			trans	-154.5	174	-169.1	64.9	-87	0	0	0	110.2	V869 T873 V878 T879 V882 L902 E904 Y935	V869-Y871 HydrophobicContact CG1-CD1 4.18Å; Y871-T873 HydrophobicContact CD2-CG2 4.31Å; Y871-T873 HydrophobicContact CE2-CG2 3.8Å; Y871-T873 PolarHBondContact O-N 3.02Å; Y871-T873 VanDerWaalsContact O-N 3.11Å; Y871-V878 HydrophobicContact CD2-CG1 4.16Å; Y871-T879 HydrophobicContact CE2-CG2 4.05Å; Y871-V882 HydrophobicContact CD1-CB 4.48Å; Y871-V882 HydrophobicContact CD1-CG1 4.02Å; Y871-V882 HydrophobicContact CD1-CG2 4.16Å; Y871-V882 HydrophobicContact CD2-CG2 4.2Å; Y871-V882 HydrophobicContact CE1-CB 4.34Å; Y871-V882 HydrophobicContact CE1-CG1 3.71Å; Y871-V882 HydrophobicContact CE2-CB 4.48Å; Y871-V882 HydrophobicContact CG-CG2 3.99Å; Y871-L902 HydrophobicContact CE1-CD2 4.43Å; Y871-E904 PolarHBondContact OH-OE2 3.22Å; Y871-Y935 VanDerWaalsContact C-CD2 3.42Å; Y871-Y935 WeakPolarHBondContact O-CE2 3.41Å
872	D	86.9	Confident	82	Confident	21 Å²	21	58 Å²	58	11%	0.112	28%	0.277	C	S	.	.			trans	-78.5	95.2	176.3	-161.6	-12	0	0	0	111.2	K874 D875 T879 Y935	D872-K874 PolarHBondContact O-N 3.28Å; D872-K874 WeakPolarHBondContact OD1-CB 3.4Å; D872-K874 PolarHBondContact OD1-N 3.06Å; D872-D875 HydrophobicContact CB-CB 4.27Å; D872-D875 PolarHBondContact O-N 3.09Å; D872-T879 PolarHBondContact O-OG1 3.25Å; D872-Y935 HydrophobicContact CB-CD2 3.7Å; D872-Y935 HydrophobicContact CB-CG 4.06Å; D872-Y935 VanDerWaalsContact N-CD2 3.28Å
873	T	82.7	Confident	83.4	Confident	46 Å²	46	52.1 Å²	52.1	28%	0.282	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.2	175.4	50.5	0	0	0	0	113.1	Y871 E903 E904	Y871-T873 HydrophobicContact CD2-CG2 4.31Å; Y871-T873 HydrophobicContact CE2-CG2 3.8Å; Y871-T873 PolarHBondContact O-N 3.02Å; Y871-T873 VanDerWaalsContact O-N 3.11Å; T873-E903 HydrophobicContact CG2-CB 4.4Å; T873-E904 HydrophobicContact CG2-CG 3.83Å
874	K	81.3	Confident	84.5	Confident	187 Å²	187	55.7 Å²	55.7	81%	0.813	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.7	176.5	-60.9	-175.4	178.6	-177.7	0	113	D872 P876	D872-K874 PolarHBondContact O-N 3.28Å; D872-K874 WeakPolarHBondContact OD1-CB 3.4Å; D872-K874 PolarHBondContact OD1-N 3.06Å; K874-P876 WeakPolarHBondContact O-CD 3.44Å
875	D	84	Confident	85.1	Confident	54 Å²	54	53.7 Å²	53.7	29%	0.289	26%	0.257	S	S	.	.			trans	-90.7	109	173.8	-170	-23.9	0	0	0	109.7	D872 R877 V878 T879	D872-D875 HydrophobicContact CB-CB 4.27Å; D872-D875 PolarHBondContact O-N 3.09Å; D875-R877 PolarHBondContact O-N 3.2Å; D875-R877 WeakPolarHBondContact OD1-CB 3.48Å; D875-R877 PolarHBondContact OD1-N 3.24Å; D875-V878 HydrophobicContact CB-CB 4.19Å; D875-V878 HydrophobicContact CB-CG2 3.93Å; D875-V878 PolarHBondContact O-N 3.14Å; D875-T879 WeakPolarHBondContact O-CB 3.38Å; D875-T879 PolarHBondContact O-N 2.75Å; D875-T879 PolarHBondContact O-OG1 3.04Å
876	P	82.1	Confident	85.6	Confident	98 Å²	98	50.9 Å²	50.9	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-63.4	-27.8	-177.8	24.7	-32.6	0	0	0	112.5	K874 E880	K874-P876 WeakPolarHBondContact O-CD 3.44Å; P876-E880 WeakPolarHBondContact O-CB 3.49Å; P876-E880 PolarHBondContact O-N 3.12Å
877	R	82.5	Confident	85.8	Confident	204 Å²	204	53.6 Å²	53.6	77%	0.77	26%	0.255	S	S	*	.	H	α-helix	trans	-70.9	-39.5	179.7	-64	177.4	174.1	171.5	-0.9	111.8	D875 W881	D875-R877 PolarHBondContact O-N 3.2Å; D875-R877 WeakPolarHBondContact OD1-CB 3.48Å; D875-R877 PolarHBondContact OD1-N 3.24Å; R877-W881 WeakPolarHBondContact O-CB 3.39Å; R877-W881 PolarHBondContact O-N 3.39Å; R877-W881 VanDerWaalsContact O-N 3.09Å
878	V	83.9	Confident	85.7	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.055	27%	0.265	C	S	.	.	H	α-helix	trans	-72.6	-42.7	177.9	-177.7	0	0	0	0	109.9	Y871 D875 W881 V882 V930 T932	Y871-V878 HydrophobicContact CD2-CG1 4.16Å; D875-V878 HydrophobicContact CB-CB 4.19Å; D875-V878 HydrophobicContact CB-CG2 3.93Å; D875-V878 PolarHBondContact O-N 3.14Å; V878-W881 PolarHBondContact O-N 3.05Å; V878-V882 HydrophobicContact CG1-CG2 4.39Å; V878-V882 WeakPolarHBondContact O-CG2 3.23Å; V878-V882 PolarHBondContact O-N 2.95Å; V878-V930 HydrophobicContact CG1-CG1 4.21Å; V878-T932 HydrophobicContact CG2-CG2 3.67Å
879	T	85.2	Confident	85.2	Confident	20 Å²	20	58 Å²	58	12%	0.123	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-45.5	177.7	-55.3	0	0	0	0	111.5	Y871 D872 D875 V882 M883 E904	Y871-T879 HydrophobicContact CE2-CG2 4.05Å; D872-T879 PolarHBondContact O-OG1 3.25Å; D875-T879 WeakPolarHBondContact O-CB 3.38Å; D875-T879 PolarHBondContact O-N 2.75Å; D875-T879 PolarHBondContact O-OG1 3.04Å; T879-V882 PolarHBondContact O-N 2.97Å; T879-M883 WeakPolarHBondContact O-CB 3.41Å; T879-M883 WeakPolarHBondContact O-CG 3.34Å; T879-M883 PolarHBondContact O-N 3.21Å; T879-E904 WeakPolarHBondContact CG2-OE2 3.15Å
880	E	85.1	Confident	84.8	Confident	130 Å²	130	58.2 Å²	58.2	61%	0.607	28%	0.278	S	S	*	.	H	α-helix	trans	-60.3	-45.9	173.6	-175.3	177.7	-161.3	0	0	111.6	P876 V882 M883 M884	P876-E880 WeakPolarHBondContact O-CB 3.49Å; P876-E880 PolarHBondContact O-N 3.12Å; E880-V882 PolarHBondContact O-N 2.99Å; E880-M883 PolarHBondContact O-N 2.98Å; E880-M884 HydrophobicContact CG-CG 4.36Å; E880-M884 VanDerWaalsContact O-CB 3.3Å; E880-M884 WeakPolarHBondContact O-CB 3.17Å; E880-M884 PolarHBondContact O-N 3.4Å
881	W	88.6	Confident	84.4	Confident	35 Å²	35	59.4 Å²	59.4	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-40.1	177.8	-176.5	92.3	0	0	0	112.7	R877 V878 N885 L886 V930 L963 L965 W989 W1000	R877-W881 WeakPolarHBondContact O-CB 3.39Å; R877-W881 PolarHBondContact O-N 3.39Å; R877-W881 VanDerWaalsContact O-N 3.09Å; V878-W881 PolarHBondContact O-N 3.05Å; W881-N885 WeakPolarHBondContact O-CA 3.29Å; W881-N885 VanDerWaalsContact O-CB 3.29Å; W881-N885 WeakPolarHBondContact O-CB 3.32Å; W881-N885 PolarHBondContact O-N 2.7Å; W881-L886 HydrophobicContact CE3-CB 4.38Å; W881-L886 HydrophobicContact CH2-CB 4.31Å; W881-L886 HydrophobicContact CH2-CD1 3.9Å; W881-L886 HydrophobicContact CZ3-CB 3.94Å; W881-L886 HydrophobicContact CZ3-CD1 4.01Å; W881-L886 HydrophobicContact CZ3-CG 4.37Å; W881-L886 PolarHBondContact O-N 3.2Å; W881-L886 VanDerWaalsContact O-N 3.1Å; W881-V930 HydrophobicContact CZ3-CG1 4.3Å; W881-L963 HydrophobicContact CH2-CD1 4.17Å; W881-L963 HydrophobicContact CH2-CD2 4.06Å; W881-L963 HydrophobicContact CZ3-CD2 4.4Å; W881-L965 HydrophobicContact CD2-CD1 4.12Å; W881-L965 HydrophobicContact CD2-CD2 4.25Å; W881-L965 HydrophobicContact CE3-CD1 3.83Å; W881-L965 HydrophobicContact CE3-CD2 4.26Å; W881-L965 HydrophobicContact CH2-CD2 3.67Å; W881-L965 HydrophobicContact CZ2-CD2 3.63Å; W881-L965 HydrophobicContact CZ3-CD1 4.09Å; W881-L965 HydrophobicContact CZ3-CD2 3.99Å; W881-L965 HydrophobicContact CZ3-CG 4.47Å; W881-W989 HydrophobicContact CH2-CE3 4.46Å; W881-W989 HydrophobicContact CH2-CZ3 4.48Å; W881-W989 HydrophobicContact CZ2-CD2 4.33Å; W881-W989 AromaticContact CZ2-CE3 3.66Å; W881-W989 HydrophobicContact CZ2-CE3 3.66Å; W881-W989 HydrophobicContact CZ2-CH2 4.07Å; W881-W989 AromaticContact CZ2-CZ3 3.53Å; W881-W989 HydrophobicContact CZ2-CZ3 3.53Å; W881-W1000 HydrophobicContact CH2-CH2 4.12Å; W881-W1000 AromaticContact CZ2-CH2 3.9Å; W881-W1000 HydrophobicContact CZ2-CH2 3.9Å; W881-W1000 HydrophobicContact CZ2-CZ2 4.24Å
882	V	87.8	Confident	83.7	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.006	31%	0.306	C	S	.	.	I	π-helix	trans	-67	-44.9	176.9	170.2	0	0	0	0	111	Y871 V878 T879 E880 L886 R887 L902 V930	Y871-V882 HydrophobicContact CD1-CB 4.48Å; Y871-V882 HydrophobicContact CD1-CG1 4.02Å; Y871-V882 HydrophobicContact CD1-CG2 4.16Å; Y871-V882 HydrophobicContact CD2-CG2 4.2Å; Y871-V882 HydrophobicContact CE1-CB 4.34Å; Y871-V882 HydrophobicContact CE1-CG1 3.71Å; Y871-V882 HydrophobicContact CE2-CB 4.48Å; Y871-V882 HydrophobicContact CG-CG2 3.99Å; V878-V882 HydrophobicContact CG1-CG2 4.39Å; V878-V882 WeakPolarHBondContact O-CG2 3.23Å; V878-V882 PolarHBondContact O-N 2.95Å; T879-V882 PolarHBondContact O-N 2.97Å; E880-V882 PolarHBondContact O-N 2.99Å; V882-L886 HydrophobicContact CG1-CD2 4.01Å; V882-L886 HydrophobicContact CG2-CD2 4.37Å; V882-L886 WeakPolarHBondContact O-CB 3.1Å; V882-L886 PolarHBondContact O-N 3.39Å; V882-R887 WeakPolarHBondContact O-CB 3.3Å; V882-R887 PolarHBondContact O-N 2.89Å; V882-L902 HydrophobicContact CG1-CD2 4.24Å; V882-V930 HydrophobicContact CG2-CG2 4.37Å
883	M	83.4	Confident	82.8	Confident	50 Å²	50	68.4 Å²	68.4	25%	0.246	33%	0.325	C	S	.	.	I	π-helix	trans	-76.7	-35.2	-175	-70.1	-64.9	-106.6	0	0	113.7	T879 E880 R887 L902	T879-M883 WeakPolarHBondContact O-CB 3.41Å; T879-M883 WeakPolarHBondContact O-CG 3.34Å; T879-M883 PolarHBondContact O-N 3.21Å; E880-M883 PolarHBondContact O-N 2.98Å; M883-R887 WeakPolarHBondContact O-CB 3.29Å; M883-L902 HydrophobicContact SD-CD1 3.58Å; M883-L902 VanDerWaalsContact SD-CD1 3.58Å
884	M	83.2	Confident	81.8	Confident	128 Å²	128	67.4 Å²	67.4	63%	0.631	32%	0.324	S	S	*	.	I	π-helix	trans	-97.8	-28.6	-175.5	-63.6	-64.1	153.6	0	0	113.7	E880 V888	E880-M884 HydrophobicContact CG-CG 4.36Å; E880-M884 VanDerWaalsContact O-CB 3.3Å; E880-M884 WeakPolarHBondContact O-CB 3.17Å; E880-M884 PolarHBondContact O-N 3.4Å; M884-V888 VanDerWaalsContact O-CG2 3.23Å; M884-V888 WeakPolarHBondContact O-CG2 3.31Å
885	N	84.2	Confident	80.8	Confident	72 Å²	72	67 Å²	67	39%	0.385	33%	0.331	S	S	.	.	I	π-helix	trans	-108.3	-59.7	179.7	-66.8	-44.2	0	0	0	112.7	W881 R887 V888 K889 W1000	W881-N885 WeakPolarHBondContact O-CA 3.29Å; W881-N885 VanDerWaalsContact O-CB 3.29Å; W881-N885 WeakPolarHBondContact O-CB 3.32Å; W881-N885 PolarHBondContact O-N 2.7Å; N885-R887 PolarHBondContact O-N 3.01Å; N885-V888 PolarHBondContact O-N 3.39Å; N885-K889 VanDerWaalsContact O-CB 3.28Å; N885-K889 WeakPolarHBondContact O-CB 3.41Å; N885-K889 VanDerWaalsContact O-CG 3.24Å; N885-K889 WeakPolarHBondContact O-CG 3.47Å; N885-K889 PolarHBondContact O-N 3.19Å; N885-W1000 HydrophobicContact CB-CZ2 4.44Å
886	L	86.9	Confident	79.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.348	C	S	.	.	I	π-helix	trans	-61.2	-47.5	-174.3	-173.9	83.3	0	0	0	111.6	V869 W881 V882 K889 L890 L928 V930 L963 W1000 L1003	V869-L886 HydrophobicContact CG1-CD2 3.81Å; V869-L886 HydrophobicContact CG2-CD2 4.13Å; W881-L886 HydrophobicContact CE3-CB 4.38Å; W881-L886 HydrophobicContact CH2-CB 4.31Å; W881-L886 HydrophobicContact CH2-CD1 3.9Å; W881-L886 HydrophobicContact CZ3-CB 3.94Å; W881-L886 HydrophobicContact CZ3-CD1 4.01Å; W881-L886 HydrophobicContact CZ3-CG 4.37Å; W881-L886 PolarHBondContact O-N 3.2Å; W881-L886 VanDerWaalsContact O-N 3.1Å; V882-L886 HydrophobicContact CG1-CD2 4.01Å; V882-L886 HydrophobicContact CG2-CD2 4.37Å; V882-L886 WeakPolarHBondContact O-CB 3.1Å; V882-L886 PolarHBondContact O-N 3.39Å; L886-K889 PolarHBondContact O-N 3.36Å; L886-L890 HydrophobicContact CD1-CD1 3.92Å; L886-L890 HydrophobicContact CG-CD1 4.03Å; L886-L890 WeakPolarHBondContact O-CB 3.42Å; L886-L890 WeakPolarHBondContact O-CG 3.05Å; L886-L890 PolarHBondContact O-N 3.07Å; L886-L928 HydrophobicContact CD1-CD2 4.2Å; L886-L928 HydrophobicContact CD2-CD2 4.14Å; L886-V930 HydrophobicContact CD2-CG2 4.46Å; L886-L963 HydrophobicContact CD1-CD1 3.95Å; L886-W1000 HydrophobicContact CB-CH2 4.42Å; L886-W1000 HydrophobicContact CD1-CH2 4.15Å; L886-W1000 HydrophobicContact CD1-CZ3 3.82Å; L886-L1003 HydrophobicContact CD1-CD2 3.82Å
887	R	87.2	Confident	79.3	Confident	69 Å²	69	72.8 Å²	72.8	26%	0.26	35%	0.348	S	S	.	.	H	α-helix	trans	-60.4	-52.4	179.3	-176.5	-171.5	160.7	-109.5	-19.2	111.3	V882 M883 N885 K889 L890 E891 E892 L900	V882-R887 WeakPolarHBondContact O-CB 3.3Å; V882-R887 PolarHBondContact O-N 2.89Å; M883-R887 WeakPolarHBondContact O-CB 3.29Å; N885-R887 PolarHBondContact O-N 3.01Å; R887-K889 VanDerWaalsContact C-N 3.33Å; R887-K889 PolarHBondContact O-N 3.24Å; R887-L890 PolarHBondContact O-N 2.8Å; R887-E891 HydrophobicContact CG-CG 4.18Å; R887-E891 WeakPolarHBondContact CG-OE2 3.29Å; R887-E891 IonicContact CZ-OE2 2.8Å; R887-E891 IonicContact NE-OE2 3.55Å; R887-E891 PolarHBondContact NE-OE2 3.21Å; R887-E891 IonicContact NH2-OE2 3.52Å; R887-E891 WeakPolarHBondContact O-CA 3.36Å; R887-E891 VanDerWaalsContact O-CB 3.31Å; R887-E891 WeakPolarHBondContact O-CB 3.09Å; R887-E891 PolarHBondContact O-N 3.21Å; R887-E892 IonicContact CZ-OE1 2.66Å; R887-E892 IonicContact NH1-OE1 3.58Å; R887-E892 IonicContact NH2-OE1 3.36Å; R887-E892 PolarHBondContact NH2-OE1 3.29Å; R887-L900 HydrophobicContact CB-CD1 4.3Å; R887-L900 HydrophobicContact CG-CD1 4.32Å
888	V	82.4	Confident	79	Confident	34 Å²	34	63.4 Å²	63.4	21%	0.206	31%	0.314	C	S	.	.	I	π-helix	trans	-61	-43.1	-179.4	179.4	0	0	0	0	111	M884 N885 L890 E892 E893	M884-V888 VanDerWaalsContact O-CG2 3.23Å; M884-V888 WeakPolarHBondContact O-CG2 3.31Å; N885-V888 PolarHBondContact O-N 3.39Å; V888-L890 VanDerWaalsContact C-N 3.32Å; V888-L890 PolarHBondContact O-N 3.15Å; V888-E892 HydrophobicContact CG1-CB 4.36Å; V888-E892 WeakPolarHBondContact O-CA 3.31Å; V888-E892 WeakPolarHBondContact O-CB 3.18Å; V888-E892 PolarHBondContact O-N 3.4Å; V888-E893 HydrophobicContact CG1-CG 4.27Å; V888-E893 PolarHBondContact O-N 2.74Å
889	K	82.3	Confident	78.9	Confident	59 Å²	59	65.5 Å²	65.5	26%	0.257	33%	0.328	S	S	.	.	I	π-helix	trans	-72.2	-16.6	179.6	-68	-68.8	-178.4	-164.2	0	114.4	N885 L886 R887 E893 W1000 R1004	N885-K889 VanDerWaalsContact O-CB 3.28Å; N885-K889 WeakPolarHBondContact O-CB 3.41Å; N885-K889 VanDerWaalsContact O-CG 3.24Å; N885-K889 WeakPolarHBondContact O-CG 3.47Å; N885-K889 PolarHBondContact O-N 3.19Å; L886-K889 PolarHBondContact O-N 3.36Å; R887-K889 VanDerWaalsContact C-N 3.33Å; R887-K889 PolarHBondContact O-N 3.24Å; K889-E893 WeakPolarHBondContact CD-OE2 3.1Å; K889-E893 WeakPolarHBondContact CE-OE2 2.93Å; K889-E893 IonicContact NZ-OE2 2.7Å; K889-E893 PolarHBondContact NZ-OE2 2.83Å; K889-W1000 HydrophobicContact CB-CD2 3.88Å; K889-W1000 HydrophobicContact CB-CE3 3.64Å; K889-W1000 HydrophobicContact CB-CH2 4.1Å; K889-W1000 HydrophobicContact CB-CZ2 4.29Å; K889-W1000 HydrophobicContact CB-CZ3 3.76Å; K889-W1000 HydrophobicContact CD-CD2 4.42Å; K889-W1000 HydrophobicContact CD-CG 4.48Å; K889-W1000 HydrophobicContact CG-CD2 3.91Å; K889-W1000 HydrophobicContact CG-CE3 4.17Å; K889-W1000 HydrophobicContact CG-CG 4.46Å; K889-W1000 HydrophobicContact CG-CH2 4.2Å; K889-W1000 HydrophobicContact CG-CZ2 3.91Å; K889-W1000 HydrophobicContact CG-CZ3 4.3Å; K889-R1004 PolarHBondContact O-NE 2.65Å; K889-R1004 PolarHBondContact O-NH2 3.04Å
890	L	81.6	Confident	78.9	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.322	C	S	.	.	I	π-helix	trans	-111.1	-35.2	179.1	-65.5	-179.7	0	0	0	113.3	I867 L886 R887 V888 L898 L900 L1003 R1004	I867-L890 HydrophobicContact CD1-CD1 3.95Å; L886-L890 HydrophobicContact CD1-CD1 3.92Å; L886-L890 HydrophobicContact CG-CD1 4.03Å; L886-L890 WeakPolarHBondContact O-CB 3.42Å; L886-L890 WeakPolarHBondContact O-CG 3.05Å; L886-L890 PolarHBondContact O-N 3.07Å; R887-L890 PolarHBondContact O-N 2.8Å; V888-L890 VanDerWaalsContact C-N 3.32Å; V888-L890 PolarHBondContact O-N 3.15Å; L890-L898 PolarHBondContact O-N 3Å; L890-L900 HydrophobicContact CB-CD1 4.38Å; L890-L900 HydrophobicContact CB-CD2 4.46Å; L890-L900 HydrophobicContact CD1-CD2 4.41Å; L890-L1003 HydrophobicContact CD1-CD2 4.14Å; L890-L1003 HydrophobicContact CD2-CD2 4.47Å; L890-R1004 HydrophobicContact CD2-CG 3.53Å
891	E	82	Confident	79.1	Confident	26 Å²	26	58.6 Å²	58.6	12%	0.121	29%	0.294	C	S	.	.	I	π-helix	trans	-88.5	-33.9	178.2	-65	-167.3	148.3	0	0	112.9	R887 L897 L898 L900 R905	R887-E891 HydrophobicContact CG-CG 4.18Å; R887-E891 WeakPolarHBondContact CG-OE2 3.29Å; R887-E891 IonicContact CZ-OE2 2.8Å; R887-E891 IonicContact NE-OE2 3.55Å; R887-E891 PolarHBondContact NE-OE2 3.21Å; R887-E891 IonicContact NH2-OE2 3.52Å; R887-E891 WeakPolarHBondContact O-CA 3.36Å; R887-E891 VanDerWaalsContact O-CB 3.31Å; R887-E891 WeakPolarHBondContact O-CB 3.09Å; R887-E891 PolarHBondContact O-N 3.21Å; E891-L897 WeakPolarHBondContact O-CD2 3.26Å; E891-L898 WeakPolarHBondContact CG-O 3.12Å; E891-L900 HydrophobicContact CG-CB 4.26Å; E891-L900 HydrophobicContact CG-CD1 3.74Å; E891-L900 HydrophobicContact CG-CG 3.62Å; E891-L900 WeakPolarHBondContact OE1-CA 3.19Å; E891-L900 VanDerWaalsContact OE1-CB 3.27Å; E891-L900 WeakPolarHBondContact OE1-CB 3.21Å; E891-L900 PolarHBondContact OE1-N 3.49Å; E891-R905 IonicContact OE1-CZ 3.43Å; E891-R905 IonicContact OE1-NH1 3.6Å; E891-R905 IonicContact OE1-NH2 2.79Å; E891-R905 PolarHBondContact OE1-NH2 2.83Å; E891-R905 VanDerWaalsContact OE1-NH2 3.11Å; E891-R905 IonicContact OE2-NH1 2.8Å; E891-R905 PolarHBondContact OE2-NH1 3.31Å; E891-R905 VanDerWaalsContact OE2-NH1 3.14Å; E891-R905 IonicContact OE2-NH2 2.77Å
892	E	74.8	Confident	79	Confident	103 Å²	103	57 Å²	57	48%	0.481	29%	0.288	S	S	.	.	I	π-helix	trans	-115.1	-37	-164.8	-61	179.2	-170	0	0	114.6	R887 V888	R887-E892 IonicContact CZ-OE1 2.66Å; R887-E892 IonicContact NH1-OE1 3.58Å; R887-E892 IonicContact NH2-OE1 3.36Å; R887-E892 PolarHBondContact NH2-OE1 3.29Å; V888-E892 HydrophobicContact CG1-CB 4.36Å; V888-E892 WeakPolarHBondContact O-CA 3.31Å; V888-E892 WeakPolarHBondContact O-CB 3.18Å; V888-E892 PolarHBondContact O-N 3.4Å
893	E	67.9	Low	78.9	Confident	107 Å²	107	57.9 Å²	57.9	50%	0.5	29%	0.292	S	S	.	.	S	Bend	trans	-106.5	42	-171.6	-70.4	-170.2	156.9	0	0	116.4	V888 K889 R1004	V888-E893 HydrophobicContact CG1-CG 4.27Å; V888-E893 PolarHBondContact O-N 2.74Å; K889-E893 WeakPolarHBondContact CD-OE2 3.1Å; K889-E893 WeakPolarHBondContact CE-OE2 2.93Å; K889-E893 IonicContact NZ-OE2 2.7Å; K889-E893 PolarHBondContact NZ-OE2 2.83Å; E893-R1004 VanDerWaalsContact O-CZ 3.31Å; E893-R1004 PolarHBondContact O-NH1 3.31Å; E893-R1004 VanDerWaalsContact O-NH1 3.15Å; E893-R1004 PolarHBondContact O-NH2 2.99Å
894	G	60.6	Low	78.8	Confident	26 Å²	26	60.3 Å²	60.3	27%	0.268	30%	0.303	S	S	.	.	S	Bend	trans	-145.3	159.6	179	0	0	0	0	0	115.9	K896	G894-K896 PolarHBondContact O-N 3.36Å
895	D	60.8	Low	78.9	Confident	179 Å²	179	59 Å²	59	96%	0.957	29%	0.291	S	S	*	.	S	Bend	trans	-57.7	-14.6	-175.2	-60.2	-30.8	0	0	0	115.5
896	K	63.8	Low	78.9	Confident	150 Å²	150	57.8 Å²	57.8	65%	0.652	29%	0.285	S	S	*	.	S	Bend	trans	-148.3	120.7	174.9	-156.7	178.5	-173.7	-177.4	0	108.6	G894	G894-K896 PolarHBondContact O-N 3.36Å
897	L	71	Confident	78.9	Confident	122 Å²	122	60 Å²	60	64%	0.639	29%	0.293	S	S	*	.			trans	-65.6	130.5	-178.7	-52.4	169.1	0	0	0	109.7	E891	E891-L897 WeakPolarHBondContact O-CD2 3.26Å
898	L	75.9	Confident	78.5	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.042	30%	0.301	C	S	.	.			trans	-112.1	101.5	178	-64	172.2	0	0	0	108.9	D866 L890 E891 L900 V1007 K1008	D866-L898 HydrophobicContact CB-CB 4.16Å; D866-L898 HydrophobicContact CB-CD2 4.04Å; D866-L898 WeakPolarHBondContact OD2-CD2 3.49Å; L890-L898 PolarHBondContact O-N 3Å; E891-L898 WeakPolarHBondContact CG-O 3.12Å; L898-L900 PolarHBondContact O-N 3.38Å; L898-V1007 HydrophobicContact CD1-CG1 4.04Å; L898-K1008 HydrophobicContact CD2-CG 4.27Å
899	P	82.2	Confident	78.2	Confident	53 Å²	53	66.7 Å²	66.7	34%	0.344	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-64	124.5	-178.6	23.9	-32.1	0	0	0	111	Y865 D866 I867	Y865-P899 HydrophobicContact CD1-CB 4.14Å; D866-P899 HydrophobicContact CB-CG 4.47Å; D866-P899 PolarHBondContact N-O 2.79Å; I867-P899 PolarHBondContact N-O 3.22Å
900	L	86.1	Confident	77.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.8	177.6	-55.4	174.7	0	0	0	110.7	Y865 I867 V869 R887 L890 E891 L898 L902 R905	Y865-L900 VanDerWaalsContact CD1-C 3.42Å; Y865-L900 VanDerWaalsContact CD1-O 3.29Å; Y865-L900 WeakPolarHBondContact CD1-O 3.29Å; Y865-L900 WeakPolarHBondContact CE1-O 3.48Å; I867-L900 HydrophobicContact CB-CD2 3.6Å; I867-L900 HydrophobicContact CD1-CD2 3.57Å; I867-L900 HydrophobicContact CG1-CD2 3.84Å; I867-L900 HydrophobicContact CG2-CD2 4.42Å; I867-L900 CarbonylContact O-C 3.47Å; I867-L900 VanDerWaalsContact O-CA 3.32Å; I867-L900 WeakPolarHBondContact O-CA 3.19Å; V869-L900 HydrophobicContact CG2-CD2 4.13Å; R887-L900 HydrophobicContact CB-CD1 4.3Å; R887-L900 HydrophobicContact CG-CD1 4.32Å; L890-L900 HydrophobicContact CB-CD1 4.38Å; L890-L900 HydrophobicContact CB-CD2 4.46Å; L890-L900 HydrophobicContact CD1-CD2 4.41Å; E891-L900 HydrophobicContact CG-CB 4.26Å; E891-L900 HydrophobicContact CG-CD1 3.74Å; E891-L900 HydrophobicContact CG-CG 3.62Å; E891-L900 WeakPolarHBondContact OE1-CA 3.19Å; E891-L900 VanDerWaalsContact OE1-CB 3.27Å; E891-L900 WeakPolarHBondContact OE1-CB 3.21Å; E891-L900 PolarHBondContact OE1-N 3.49Å; L898-L900 PolarHBondContact O-N 3.38Å; L900-L902 HydrophobicContact CB-CD2 4.44Å; L900-L902 HydrophobicContact CB-CG 4.37Å; L900-R905 PolarHBondContact O-NH2 2.95Å
901	C	88.4	Confident	77.9	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.034	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.7	163.8	-176.4	0	0	0	0	108.3	Y865 I867 F868 V869 D906	Y865-C901 HydrophobicContact CD1-CB 3.9Å; Y865-C901 HydrophobicContact CD2-CB 3.72Å; Y865-C901 HydrophobicContact CE1-CB 4.25Å; Y865-C901 HydrophobicContact CE2-CB 4.1Å; Y865-C901 HydrophobicContact CG-CB 3.61Å; I867-C901 PolarHBondContact O-N 2.89Å; F868-C901 HydrophobicContact CB-CB 4.29Å; F868-C901 HydrophobicContact CD2-CB 3.96Å; F868-C901 VanDerWaalsContact CD2-O 3.32Å; F868-C901 WeakPolarHBondContact CD2-O 3.02Å; V869-C901 PolarHBondContact N-O 3.44Å; C901-D906 WeakPolarHBondContact CA-OD2 3.48Å
902	L	87.4	Confident	78	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.8	-179.1	-59.7	176.9	0	0	0	111	V869 Y871 V882 M883 L900 E904 R905 D906	V869-L902 HydrophobicContact CB-CD2 3.7Å; V869-L902 HydrophobicContact CG2-CD2 3.94Å; Y871-L902 HydrophobicContact CE1-CD2 4.43Å; V882-L902 HydrophobicContact CG1-CD2 4.24Å; M883-L902 HydrophobicContact SD-CD1 3.58Å; M883-L902 VanDerWaalsContact SD-CD1 3.58Å; L900-L902 HydrophobicContact CB-CD2 4.44Å; L900-L902 HydrophobicContact CB-CG 4.37Å; L902-E904 VanDerWaalsContact C-N 3.31Å; L902-E904 PolarHBondContact O-N 2.96Å; L902-R905 HydrophobicContact CB-CB 4.32Å; L902-R905 PolarHBondContact O-N 2.95Å; L902-D906 PolarHBondContact N-OD2 3.27Å; L902-D906 PolarHBondContact O-N 3.27Å
903	E	85.3	Confident	78.4	Confident	20 Å²	20	71.9 Å²	71.9	9%	0.093	40%	0.397	C	S	.	.	H	α-helix	trans	-59.6	-38	-174.5	-56.7	-172.9	-172.6	0	0	113.1	F868 T870 T873 W907	F868-E903 HydrophobicContact CE2-CG 3.9Å; F868-E903 HydrophobicContact CZ-CG 3.97Å; T870-E903 WeakPolarHBondContact CB-OE1 3.49Å; T870-E903 PolarHBondContact OG1-OE1 3.16Å; T873-E903 HydrophobicContact CG2-CB 4.4Å; E903-W907 HydrophobicContact CB-CD2 4.09Å; E903-W907 HydrophobicContact CB-CE3 4.18Å; E903-W907 HydrophobicContact CB-CH2 4.15Å; E903-W907 HydrophobicContact CB-CZ2 4.09Å; E903-W907 HydrophobicContact CB-CZ3 4.19Å; E903-W907 HydrophobicContact CG-CD2 4.46Å; E903-W907 HydrophobicContact CG-CH2 3.79Å; E903-W907 HydrophobicContact CG-CZ2 3.57Å; E903-W907 HydrophobicContact CG-CZ3 4.34Å; E903-W907 WeakPolarHBondContact O-CB 3.42Å
904	E	80.8	Confident	79.2	Confident	102 Å²	102	70 Å²	70	48%	0.477	39%	0.393	S	S	.	.	H	α-helix	trans	-84	-15.8	-176.2	-62.1	-178.1	139.9	0	0	114	Y871 T873 T879 L902	Y871-E904 PolarHBondContact OH-OE2 3.22Å; T873-E904 HydrophobicContact CG2-CG 3.83Å; T879-E904 WeakPolarHBondContact CG2-OE2 3.15Å; L902-E904 VanDerWaalsContact C-N 3.31Å; L902-E904 PolarHBondContact O-N 2.96Å
905	R	84.9	Confident	80.3	Confident	101 Å²	101	73 Å²	73	38%	0.381	40%	0.402	S	S	.	.	H	α-helix	trans	-107.8	-46.8	-174.6	-174	-176.8	71.4	-176.2	-4.6	112.7	E891 L900 L902	E891-R905 IonicContact OE1-CZ 3.43Å; E891-R905 IonicContact OE1-NH1 3.6Å; E891-R905 IonicContact OE1-NH2 2.79Å; E891-R905 PolarHBondContact OE1-NH2 2.83Å; E891-R905 VanDerWaalsContact OE1-NH2 3.11Å; E891-R905 IonicContact OE2-NH1 2.8Å; E891-R905 PolarHBondContact OE2-NH1 3.31Å; E891-R905 VanDerWaalsContact OE2-NH1 3.14Å; E891-R905 IonicContact OE2-NH2 2.77Å; L900-R905 PolarHBondContact O-NH2 2.95Å; L902-R905 HydrophobicContact CB-CB 4.32Å; L902-R905 PolarHBondContact O-N 2.95Å
906	D	83.8	Confident	81.4	Confident	45 Å²	45	64.8 Å²	64.8	24%	0.241	36%	0.359	C	S	.	.	H	α-helix	trans	-104.1	-5.2	-162.8	-57.3	-53.2	0	0	0	112.8	C901 L902	C901-D906 WeakPolarHBondContact CA-OD2 3.48Å; L902-D906 PolarHBondContact N-OD2 3.27Å; L902-D906 PolarHBondContact O-N 3.27Å
907	W	88.5	Confident	82.5	Confident	46 Å²	46	57.7 Å²	57.7	17%	0.174	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-81.8	127.6	-179.9	-76.8	8.8	0	0	0	113	F868 E903 L913 N916 L917 S920	F868-W907 HydrophobicContact CE2-CZ2 4.29Å; F868-W907 AromaticContact CZ-CZ2 3.98Å; F868-W907 HydrophobicContact CZ-CZ2 3.98Å; E903-W907 HydrophobicContact CB-CD2 4.09Å; E903-W907 HydrophobicContact CB-CE3 4.18Å; E903-W907 HydrophobicContact CB-CH2 4.15Å; E903-W907 HydrophobicContact CB-CZ2 4.09Å; E903-W907 HydrophobicContact CB-CZ3 4.19Å; E903-W907 HydrophobicContact CG-CD2 4.46Å; E903-W907 HydrophobicContact CG-CH2 3.79Å; E903-W907 HydrophobicContact CG-CZ2 3.57Å; E903-W907 HydrophobicContact CG-CZ3 4.34Å; E903-W907 WeakPolarHBondContact O-CB 3.42Å; W907-L913 HydrophobicContact CH2-CD1 3.47Å; W907-L913 VanDerWaalsContact CH2-CD1 3.47Å; W907-L913 HydrophobicContact CZ3-CD1 3.32Å; W907-N916 HydrophobicContact CD2-CB 3.76Å; W907-N916 HydrophobicContact CE3-CB 3.97Å; W907-N916 HydrophobicContact CG-CB 4.22Å; W907-N916 HydrophobicContact CH2-CB 4.38Å; W907-N916 HydrophobicContact CZ2-CB 4.15Å; W907-N916 HydrophobicContact CZ3-CB 4.3Å; W907-L917 HydrophobicContact CH2-CD2 3.79Å; W907-L917 HydrophobicContact CH2-CG 3.8Å; W907-L917 HydrophobicContact CZ2-CD2 3.73Å; W907-L917 HydrophobicContact CZ2-CG 3.96Å; W907-S920 PolarHBondContact NE1-OG 3.19Å
908	P	78.2	Confident	83.1	Confident	68 Å²	68	53.8 Å²	53.8	44%	0.442	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-70	134.8	175.1	27.9	-32.5	0	0	0	111.2	V911	P908-V911 HydrophobicContact CB-CG2 4.25Å; P908-V911 HydrophobicContact CG-CB 4.44Å; P908-V911 HydrophobicContact CG-CG2 3.88Å
909	L	75.3	Confident	83.5	Confident	177 Å²	177	58 Å²	58	93%	0.927	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	140	-178.7	-64.2	172.8	0	0	0	111.5
910	G	75.5	Confident	83.8	Confident	88 Å²	88	56 Å²	56	91%	0.907	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-0.9	176.6	0	0	0	0	0	115.4
911	V	83.1	Confident	83.8	Confident	57 Å²	57	56.2 Å²	56.2	35%	0.345	32%	0.317	S	S	.	.	S	Bend	trans	-88	138.7	174.3	-178.9	0	0	0	0	110.3	P908 D915 N916	P908-V911 HydrophobicContact CB-CG2 4.25Å; P908-V911 HydrophobicContact CG-CB 4.44Å; P908-V911 HydrophobicContact CG-CG2 3.88Å; V911-D915 HydrophobicContact CG1-CB 3.87Å; V911-N916 WeakPolarHBondContact CB-OD1 3.27Å; V911-N916 VanDerWaalsContact CG1-OD1 3.28Å; V911-N916 WeakPolarHBondContact CG1-OD1 3.37Å
912	P	84	Confident	83.4	Confident	77 Å²	77	60.6 Å²	60.6	50%	0.5	34%	0.337	S	S	.	.			trans	-57.8	142.4	177.6	-24.9	35	0	0	0	112.8	V914 D915 N916	P912-V914 PolarHBondContact O-N 3.38Å; P912-V914 VanDerWaalsContact O-N 3.16Å; P912-D915 WeakPolarHBondContact CG-OD2 3.21Å; P912-D915 PolarHBondContact O-N 3.16Å; P912-N916 PolarHBondContact O-N 2.98Å
913	L	82.8	Confident	83.1	Confident	78 Å²	78	63 Å²	63	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-51.9	-40.9	-178.8	176.5	65.5	0	0	0	113.3	W907 L917 V940	W907-L913 HydrophobicContact CH2-CD1 3.47Å; W907-L913 VanDerWaalsContact CH2-CD1 3.47Å; W907-L913 HydrophobicContact CZ3-CD1 3.32Å; L913-L917 HydrophobicContact CD1-CD1 4.08Å; L913-L917 HydrophobicContact CD1-CG 4.28Å; L913-L917 HydrophobicContact CG-CD1 3.97Å; L913-L917 WeakPolarHBondContact O-CB 3.42Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3.19Å; L913-L917 PolarHBondContact O-N 2.74Å; L913-V940 HydrophobicContact CD2-CG2 4.09Å
914	V	84.4	Confident	83.2	Confident	69 Å²	69	62 Å²	62	42%	0.418	35%	0.345	S	S	.	.	H	α-helix	trans	-66.1	-40	-178.9	-171.3	0	0	0	0	111.2	P912 L917 T918 L943	P912-V914 PolarHBondContact O-N 3.38Å; P912-V914 VanDerWaalsContact O-N 3.16Å; V914-L917 PolarHBondContact O-N 2.79Å; V914-T918 WeakPolarHBondContact O-CB 3.5Å; V914-T918 PolarHBondContact O-N 3.3Å; V914-T918 PolarHBondContact O-OG1 2.81Å; V914-L943 HydrophobicContact CG2-CD2 3.9Å
915	D	83.4	Confident	83.2	Confident	87 Å²	87	62.9 Å²	62.9	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-70.9	-43	179.9	-62.7	-30.9	0	0	0	110.3	V911 P912 L917 T918 Q919	V911-D915 HydrophobicContact CG1-CB 3.87Å; P912-D915 WeakPolarHBondContact CG-OD2 3.21Å; P912-D915 PolarHBondContact O-N 3.16Å; D915-L917 PolarHBondContact O-N 3.49Å; D915-T918 PolarHBondContact O-N 2.85Å; D915-Q919 VanDerWaalsContact O-CB 3.29Å; D915-Q919 WeakPolarHBondContact O-CB 3.01Å; D915-Q919 PolarHBondContact O-N 3.4Å
916	N	84.6	Confident	83.2	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.043	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-43.2	174.1	-86	-15	0	0	0	112.1	W907 V911 P912 S920	W907-N916 HydrophobicContact CD2-CB 3.76Å; W907-N916 HydrophobicContact CE3-CB 3.97Å; W907-N916 HydrophobicContact CG-CB 4.22Å; W907-N916 HydrophobicContact CH2-CB 4.38Å; W907-N916 HydrophobicContact CZ2-CB 4.15Å; W907-N916 HydrophobicContact CZ3-CB 4.3Å; V911-N916 WeakPolarHBondContact CB-OD1 3.27Å; V911-N916 VanDerWaalsContact CG1-OD1 3.28Å; V911-N916 WeakPolarHBondContact CG1-OD1 3.37Å; P912-N916 PolarHBondContact O-N 2.98Å; N916-S920 VanDerWaalsContact O-CB 3.25Å; N916-S920 WeakPolarHBondContact O-CB 3.36Å; N916-S920 PolarHBondContact O-N 3.36Å; N916-S920 PolarHBondContact O-OG 2.89Å
917	L	86.6	Confident	83.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-46.2	175.1	-78.1	168.7	0	0	0	112	F868 W907 L913 V914 D915 Q919 S920 I921 V940 L943 A944 L947	F868-L917 HydrophobicContact CE1-CD2 4.04Å; F868-L917 HydrophobicContact CZ-CD2 3.94Å; W907-L917 HydrophobicContact CH2-CD2 3.79Å; W907-L917 HydrophobicContact CH2-CG 3.8Å; W907-L917 HydrophobicContact CZ2-CD2 3.73Å; W907-L917 HydrophobicContact CZ2-CG 3.96Å; L913-L917 HydrophobicContact CD1-CD1 4.08Å; L913-L917 HydrophobicContact CD1-CG 4.28Å; L913-L917 HydrophobicContact CG-CD1 3.97Å; L913-L917 WeakPolarHBondContact O-CB 3.42Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3.19Å; L913-L917 PolarHBondContact O-N 2.74Å; V914-L917 PolarHBondContact O-N 2.79Å; D915-L917 PolarHBondContact O-N 3.49Å; L917-Q919 PolarHBondContact O-N 3.2Å; L917-S920 PolarHBondContact O-N 3.01Å; L917-I921 WeakPolarHBondContact O-CB 3.16Å; L917-I921 WeakPolarHBondContact O-CD1 3.43Å; L917-I921 WeakPolarHBondContact O-CG1 3.46Å; L917-I921 PolarHBondContact O-N 2.84Å; L917-V940 HydrophobicContact CD1-CG1 4.18Å; L917-L943 HydrophobicContact CD1-CD2 3.81Å; L917-L943 HydrophobicContact CD1-CG 4.27Å; L917-A944 HydrophobicContact CD2-CB 4.02Å; L917-L947 HydrophobicContact CB-CD1 3.99Å
918	T	84.9	Confident	83.5	Confident	40 Å²	40	54 Å²	54	25%	0.245	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-46.3	-178.8	-57.6	0	0	0	0	110.8	V914 D915 I921 Q922	V914-T918 WeakPolarHBondContact O-CB 3.5Å; V914-T918 PolarHBondContact O-N 3.3Å; V914-T918 PolarHBondContact O-OG1 2.81Å; D915-T918 PolarHBondContact O-N 2.85Å; T918-I921 PolarHBondContact O-N 2.76Å; T918-Q922 WeakPolarHBondContact O-CB 3.21Å; T918-Q922 WeakPolarHBondContact O-CG 3.33Å; T918-Q922 PolarHBondContact O-N 2.68Å
919	Q	83.9	Confident	84.1	Confident	98 Å²	98	50.7 Å²	50.7	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-41.9	179.3	-171.9	174.6	6.5	0	0	112.1	D915 L917 I921 Q922 N923	D915-Q919 VanDerWaalsContact O-CB 3.29Å; D915-Q919 WeakPolarHBondContact O-CB 3.01Å; D915-Q919 PolarHBondContact O-N 3.4Å; L917-Q919 PolarHBondContact O-N 3.2Å; Q919-I921 VanDerWaalsContact C-N 3.35Å; Q919-I921 PolarHBondContact O-N 3.27Å; Q919-Q922 PolarHBondContact O-N 3.49Å; Q919-N923 WeakPolarHBondContact CG-ND2 3.41Å; Q919-N923 VanDerWaalsContact O-CB 3.29Å; Q919-N923 WeakPolarHBondContact O-CB 3.36Å; Q919-N923 PolarHBondContact O-N 2.97Å
920	S	87.5	Confident	84.8	Confident	11 Å²	11	42.3 Å²	42.3	8%	0.077	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-39.8	178.1	-57.5	0	0	0	0	111.9	W907 N916 L917 S924	W907-S920 PolarHBondContact NE1-OG 3.19Å; N916-S920 VanDerWaalsContact O-CB 3.25Å; N916-S920 WeakPolarHBondContact O-CB 3.36Å; N916-S920 PolarHBondContact O-N 3.36Å; N916-S920 PolarHBondContact O-OG 2.89Å; L917-S920 PolarHBondContact O-N 3.01Å; S920-S924 VanDerWaalsContact O-CB 3.27Å; S920-S924 WeakPolarHBondContact O-CB 3.13Å; S920-S924 PolarHBondContact O-N 3.29Å; S920-S924 PolarHBondContact O-OG 2.82Å
921	I	85.4	Confident	85.3	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-44.6	175.4	-69.2	167.8	0	0	0	110.5	F868 L917 T918 Q919 T927 L947 A948 R951	F868-I921 HydrophobicContact CD1-CG1 3.7Å; F868-I921 HydrophobicContact CE1-CG1 3.95Å; L917-I921 WeakPolarHBondContact O-CB 3.16Å; L917-I921 WeakPolarHBondContact O-CD1 3.43Å; L917-I921 WeakPolarHBondContact O-CG1 3.46Å; L917-I921 PolarHBondContact O-N 2.84Å; T918-I921 PolarHBondContact O-N 2.76Å; Q919-I921 VanDerWaalsContact C-N 3.35Å; Q919-I921 PolarHBondContact O-N 3.27Å; I921-T927 HydrophobicContact CG1-CG2 4.28Å; I921-L947 HydrophobicContact CD1-CB 3.83Å; I921-A948 HydrophobicContact CD1-CB 4.39Å; I921-A948 HydrophobicContact CG2-CB 4.39Å; I921-R951 PolarHBondContact O-NH1 3.4Å
922	Q	80.7	Confident	85.3	Confident	97 Å²	97	35.7 Å²	35.7	45%	0.453	18%	0.184	S	C	.	.	H	α-helix	trans	-68.6	-41.2	-178.5	-77	-179.9	-16.3	0	0	113.4	T918 Q919 S924 R951	T918-Q922 WeakPolarHBondContact O-CB 3.21Å; T918-Q922 WeakPolarHBondContact O-CG 3.33Å; T918-Q922 PolarHBondContact O-N 2.68Å; Q919-Q922 PolarHBondContact O-N 3.49Å; Q922-S924 PolarHBondContact O-N 3.37Å; Q922-R951 PolarHBondContact O-NH1 2.92Å; Q922-R951 VanDerWaalsContact O-NH1 3.15Å; Q922-R951 PolarHBondContact O-NH2 3.45Å
923	N	82.4	Confident	85.1	Confident	50 Å²	50	37.4 Å²	37.4	27%	0.267	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.4	-177.4	-68.2	-15.5	0	0	0	113.9	N863 I864 Y865 Q919	N863-N923 CarbonylContact C-O 3.56Å; N863-N923 WeakPolarHBondContact CA-O 3.4Å; N863-N923 WeakPolarHBondContact CB-O 3.42Å; I864-N923 PolarHBondContact N-O 2.85Å; I864-N923 VanDerWaalsContact N-O 3.08Å; Y865-N923 PolarHBondContact N-O 3.04Å; Q919-N923 WeakPolarHBondContact CG-ND2 3.41Å; Q919-N923 VanDerWaalsContact O-CB 3.29Å; Q919-N923 WeakPolarHBondContact O-CB 3.36Å; Q919-N923 PolarHBondContact O-N 2.97Å
924	S	85.4	Confident	84.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.3	176.9	-58.8	0	0	0	0	112.4	N863 Y865 F868 S920 Q922 K926 R951	N863-S924 PolarHBondContact ND2-O 3.36Å; Y865-S924 CarbonylContact O-C 3.58Å; Y865-S924 VanDerWaalsContact O-CA 3.25Å; Y865-S924 WeakPolarHBondContact O-CA 3.43Å; F868-S924 VanDerWaalsContact CB-OG 3.31Å; F868-S924 WeakPolarHBondContact CB-OG 3.38Å; F868-S924 PolarHBondContact N-OG 3.1Å; S920-S924 VanDerWaalsContact O-CB 3.27Å; S920-S924 WeakPolarHBondContact O-CB 3.13Å; S920-S924 PolarHBondContact O-N 3.29Å; S920-S924 PolarHBondContact O-OG 2.82Å; Q922-S924 PolarHBondContact O-N 3.37Å; S924-K926 WeakPolarHBondContact CB-O 3.25Å; S924-R951 PolarHBondContact O-NH1 2.66Å
925	R	81.6	Confident	85	Confident	121 Å²	121	32.5 Å²	32.5	46%	0.457	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	-42.1	173.3	-78	-166.3	-96.1	-130.9	7.6	112.8	N863 Y865 D866 V959 N1011	N863-R925 HydrophobicContact CB-CG 3.85Å; N863-R925 VanDerWaalsContact ND2-CA 3.27Å; N863-R925 WeakPolarHBondContact ND2-CA 3.49Å; N863-R925 WeakPolarHBondContact ND2-CG 3.32Å; N863-R925 PolarHBondContact ND2-N 3.36Å; Y865-R925 PolarHBondContact O-N 3.03Å; D866-R925 WeakPolarHBondContact O-CB 3.39Å; D866-R925 PolarHBondContact O-N 2.9Å; D866-R925 IonicContact OD1-CZ 3.94Å; D866-R925 IonicContact OD1-NE 2.7Å; D866-R925 PolarHBondContact OD1-NE 3.33Å; D866-R925 IonicContact OD1-NH2 2.6Å; D866-R925 PolarHBondContact OD1-NH2 2.75Å; D866-R925 IonicContact OD2-CZ 3.4Å; D866-R925 IonicContact OD2-NH2 2.9Å; D866-R925 PolarHBondContact OD2-NH2 3.21Å; R925-V959 WeakPolarHBondContact O-CG1 3.37Å; R925-N1011 PolarHBondContact O-ND2 3.02Å
926	K	85.8	Confident	84.8	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.017	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.1	176.9	-64.8	-64.3	-162.5	-171	0	110.6	D866 I867 F868 S924 D958 V959 V961 N1011	D866-K926 PolarHBondContact O-N 3.18Å; I867-K926 CarbonylContact C-O 3.53Å; I867-K926 VanDerWaalsContact CA-O 3.32Å; I867-K926 WeakPolarHBondContact CA-O 3.34Å; F868-K926 PolarHBondContact N-O 3.15Å; S924-K926 WeakPolarHBondContact CB-O 3.25Å; K926-D958 PolarHBondContact NZ-O 3.48Å; K926-V959 CarbonylContact C-O 3.54Å; K926-V959 WeakPolarHBondContact CA-O 3.42Å; K926-V961 HydrophobicContact CB-CG2 4.35Å; K926-V961 HydrophobicContact CD-CG2 4.24Å; K926-V961 HydrophobicContact CG-CG2 4.42Å; K926-N1011 VanDerWaalsContact CD-OD1 3.27Å; K926-N1011 WeakPolarHBondContact CD-OD1 2.92Å; K926-N1011 WeakPolarHBondContact CE-OD1 3.29Å; K926-N1011 PolarHBondContact NZ-OD1 3.29Å
927	T	89	Confident	84.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	112.6	169.5	-53.4	0	0	0	0	108.6	F868 T870 I921 F929 V959 V961	F868-T927 HydrophobicContact CD1-CG2 3.68Å; F868-T927 HydrophobicContact CE1-CG2 4.33Å; F868-T927 CarbonylContact O-C 3.31Å; F868-T927 VanDerWaalsContact O-CA 3.28Å; F868-T927 WeakPolarHBondContact O-CA 3.48Å; T870-T927 HydrophobicContact CG2-CG2 4.36Å; I921-T927 HydrophobicContact CG1-CG2 4.28Å; T927-F929 HydrophobicContact CG2-CD2 4.16Å; T927-F929 HydrophobicContact CG2-CE1 4.48Å; T927-F929 HydrophobicContact CG2-CE2 3.51Å; T927-F929 HydrophobicContact CG2-CZ 3.7Å; T927-V959 PolarHBondContact N-O 2.95Å; T927-V961 PolarHBondContact O-N 3.34Å
928	L	89.8	Confident	84.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.2	-179.9	-176.8	67.2	0	0	0	109.7	I867 F868 V869 T870 L886 V961 L963 L1003	I867-L928 HydrophobicContact CG2-CB 3.5Å; I867-L928 VanDerWaalsContact CG2-CB 3.5Å; F868-L928 PolarHBondContact O-N 3.32Å; V869-L928 WeakPolarHBondContact CA-O 3.41Å; V869-L928 HydrophobicContact CG1-CB 4.47Å; V869-L928 HydrophobicContact CG1-CD2 4.35Å; V869-L928 HydrophobicContact CG2-CB 4.34Å; V869-L928 HydrophobicContact CG2-CD2 4.3Å; T870-L928 PolarHBondContact N-O 3.29Å; L886-L928 HydrophobicContact CD1-CD2 4.2Å; L886-L928 HydrophobicContact CD2-CD2 4.14Å; L928-V961 CarbonylContact C-O 3.09Å; L928-V961 WeakPolarHBondContact CA-O 3.46Å; L928-V961 HydrophobicContact CD1-CB 3.71Å; L928-V961 HydrophobicContact CD1-CG1 3.45Å; L928-V961 VanDerWaalsContact CD1-CG1 3.45Å; L928-L963 HydrophobicContact CD1-CB 3.89Å; L928-L963 HydrophobicContact CD1-CD1 4.35Å; L928-L963 HydrophobicContact CD2-CD1 4.16Å; L928-L963 HydrophobicContact CG-CB 4.46Å; L928-L1003 HydrophobicContact CD1-CD1 4.08Å
929	F	90.4	Very high	84.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	113.6	175.4	-64.4	-96.1	0	0	0	109.1	T870 T927 L931 F941 A944 M945 A948 I960 V961 L962 L963	T870-F929 HydrophobicContact CG2-CB 4.44Å; T870-F929 HydrophobicContact CG2-CD1 3.22Å; T870-F929 HydrophobicContact CG2-CE1 3.42Å; T870-F929 VanDerWaalsContact CG2-CE1 3.42Å; T870-F929 HydrophobicContact CG2-CG 3.86Å; T870-F929 HydrophobicContact CG2-CZ 4.19Å; T927-F929 HydrophobicContact CG2-CD2 4.16Å; T927-F929 HydrophobicContact CG2-CE1 4.48Å; T927-F929 HydrophobicContact CG2-CE2 3.51Å; T927-F929 HydrophobicContact CG2-CZ 3.7Å; F929-L931 HydrophobicContact CB-CD2 3.94Å; F929-L931 HydrophobicContact CB-CG 4.45Å; F929-F941 AromaticContact CD1-CD2 3.92Å; F929-F941 HydrophobicContact CD1-CD2 3.92Å; F929-F941 AromaticContact CD1-CE2 3.87Å; F929-F941 HydrophobicContact CD1-CE2 3.87Å; F929-F941 HydrophobicContact CE1-CD2 4.43Å; F929-F941 HydrophobicContact CE1-CE2 4.48Å; F929-A944 HydrophobicContact CE1-CB 3.94Å; F929-A944 HydrophobicContact CZ-CB 4.49Å; F929-M945 HydrophobicContact CD2-SD 4.42Å; F929-M945 HydrophobicContact CE1-CB 4.23Å; F929-M945 HydrophobicContact CE1-SD 4.18Å; F929-M945 HydrophobicContact CE2-SD 4.03Å; F929-M945 HydrophobicContact CZ-CB 4.45Å; F929-M945 HydrophobicContact CZ-SD 3.9Å; F929-A948 HydrophobicContact CE2-CB 4.27Å; F929-A948 HydrophobicContact CZ-CB 4.02Å; F929-I960 HydrophobicContact CD2-CG2 4.03Å; F929-I960 HydrophobicContact CE2-CG1 4.33Å; F929-I960 HydrophobicContact CE2-CG2 3.97Å; F929-V961 PolarHBondContact N-O 3.05Å; F929-L962 HydrophobicContact CB-CD2 3.78Å; F929-L962 HydrophobicContact CD2-CD2 3.98Å; F929-L962 HydrophobicContact CG-CD2 4.07Å; F929-L963 PolarHBondContact O-N 3.06Å
930	V	89.1	Confident	84	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110.5	174.1	179.3	0	0	0	0	108	V869 T870 V878 W881 V882 L886 Y935 L963 L965	V869-V930 HydrophobicContact CG1-CG2 3.76Å; T870-V930 PolarHBondContact O-N 2.97Å; V878-V930 HydrophobicContact CG1-CG1 4.21Å; W881-V930 HydrophobicContact CZ3-CG1 4.3Å; V882-V930 HydrophobicContact CG2-CG2 4.37Å; L886-V930 HydrophobicContact CD2-CG2 4.46Å; V930-Y935 VanDerWaalsContact O-CD1 3.27Å; V930-Y935 WeakPolarHBondContact O-CD1 3.47Å; V930-L963 HydrophobicContact CG1-CD2 4.31Å; V930-L965 HydrophobicContact CG1-CD1 3.55Å; V930-L965 HydrophobicContact CG1-CG 3.96Å
931	L	86.8	Confident	84	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.6	-168.2	-56.4	180	0	0	0	111.8	F929 Y935 V936 F941 L962 L963 M964 L965 V968 L969	F929-L931 HydrophobicContact CB-CD2 3.94Å; F929-L931 HydrophobicContact CB-CG 4.45Å; L931-Y935 HydrophobicContact CD2-CD1 4.36Å; L931-V936 HydrophobicContact CB-CG2 4.43Å; L931-V936 HydrophobicContact CD2-CG2 4.09Å; L931-F941 HydrophobicContact CD2-CD2 4.19Å; L931-F941 HydrophobicContact CD2-CE2 3.58Å; L931-F941 HydrophobicContact CD2-CZ 4.14Å; L931-L962 HydrophobicContact CD1-CB 4.12Å; L931-L962 HydrophobicContact CD1-CD1 4.48Å; L931-L962 HydrophobicContact CD1-CD2 4.24Å; L931-L963 PolarHBondContact N-O 3.4Å; L931-M964 HydrophobicContact CB-CG 4.26Å; L931-M964 HydrophobicContact CD1-CG 3.94Å; L931-L965 PolarHBondContact O-N 3.49Å; L931-V968 HydrophobicContact CB-CG2 3.81Å; L931-L969 HydrophobicContact CD1-CD1 4.26Å
932	T	83.6	Confident	83.9	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.037	23%	0.228	C	C	.	.			trans	-130.1	167.7	168.6	62.1	0	0	0	0	110.3	V878 G934 Y935 V936 L965	V878-T932 HydrophobicContact CG2-CG2 3.67Å; T932-G934 VanDerWaalsContact C-N 3.28Å; T932-G934 PolarHBondContact O-N 2.94Å; T932-Y935 PolarHBondContact O-N 3.34Å; T932-Y935 PolarHBondContact OG1-N 3.18Å; T932-V936 WeakPolarHBondContact O-CG2 3.18Å; T932-V936 PolarHBondContact O-N 3.32Å; T932-L965 HydrophobicContact CG2-CB 4.37Å; T932-L965 HydrophobicContact CG2-CD1 4.37Å
933	E	79.4	Confident	84.1	Confident	113 Å²	113	42.4 Å²	42.4	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.4	-176.7	-152.6	-164.1	144.7	0	0	113.7	K937 E966 V968	E933-K937 IonicContact OE1-NZ 3.9Å; E933-K937 PolarHBondContact OE1-NZ 3.2Å; E933-E966 PolarHBondContact N-OE2 2.8Å; E933-V968 VanDerWaalsContact CA-CG1 3.47Å; E933-V968 HydrophobicContact CB-CG1 3.81Å; E933-V968 HydrophobicContact CG-CG1 3.94Å
934	G	79.1	Confident	84.2	Confident	41 Å²	41	40 Å²	40	42%	0.423	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-51.3	173.7	0	0	0	0	0	112.3	T932 V936 K937	T932-G934 VanDerWaalsContact C-N 3.28Å; T932-G934 PolarHBondContact O-N 2.94Å; G934-V936 PolarHBondContact O-N 2.94Å; G934-K937 PolarHBondContact O-N 2.97Å
935	Y	84.8	Confident	84.2	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.016	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.7	-42.9	-171.2	-170.5	-128.3	0	0	0	113.6	T870 Y871 D872 V930 L931 T932 K937 T938 F941	T870-Y935 WeakPolarHBondContact CG2-OH 3.37Å; T870-Y935 PolarHBondContact OG1-OH 3.11Å; Y871-Y935 VanDerWaalsContact C-CD2 3.42Å; Y871-Y935 WeakPolarHBondContact O-CE2 3.41Å; D872-Y935 HydrophobicContact CB-CD2 3.7Å; D872-Y935 HydrophobicContact CB-CG 4.06Å; D872-Y935 VanDerWaalsContact N-CD2 3.28Å; V930-Y935 VanDerWaalsContact O-CD1 3.27Å; V930-Y935 WeakPolarHBondContact O-CD1 3.47Å; L931-Y935 HydrophobicContact CD2-CD1 4.36Å; T932-Y935 PolarHBondContact O-N 3.34Å; T932-Y935 PolarHBondContact OG1-N 3.18Å; Y935-K937 PolarHBondContact O-N 2.92Å; Y935-K937 VanDerWaalsContact O-N 3.16Å; Y935-T938 HydrophobicContact CD2-CG2 4.47Å; Y935-T938 WeakPolarHBondContact O-CB 3.43Å; Y935-T938 WeakPolarHBondContact O-CG2 3.35Å; Y935-T938 PolarHBondContact O-N 2.97Å; Y935-T938 PolarHBondContact O-OG1 3.18Å; Y935-F941 HydrophobicContact CD1-CB 4.35Å; Y935-F941 HydrophobicContact CD1-CD2 4.11Å; Y935-F941 HydrophobicContact CD1-CG 4.47Å; Y935-F941 HydrophobicContact CE1-CB 3.97Å; Y935-F941 AromaticContact CE1-CD2 3.62Å; Y935-F941 HydrophobicContact CE1-CD2 3.62Å; Y935-F941 HydrophobicContact CE1-CG 4.18Å; Y935-F941 HydrophobicContact CE2-CB 4.24Å; Y935-F941 WeakPolarHBondContact O-CB 3.48Å
936	V	81	Confident	84.3	Confident	23 Å²	23	43 Å²	43	14%	0.139	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-62.5	-25.9	-176.7	170.2	0	0	0	0	112.6	L931 T932 G934 T938 F941 L969	L931-V936 HydrophobicContact CB-CG2 4.43Å; L931-V936 HydrophobicContact CD2-CG2 4.09Å; T932-V936 WeakPolarHBondContact O-CG2 3.18Å; T932-V936 PolarHBondContact O-N 3.32Å; G934-V936 PolarHBondContact O-N 2.94Å; V936-T938 VanDerWaalsContact C-N 3.29Å; V936-F941 HydrophobicContact CB-CD1 4.49Å; V936-F941 HydrophobicContact CB-CE1 4.48Å; V936-F941 HydrophobicContact CG1-CD1 4.41Å; V936-F941 HydrophobicContact CG1-CE1 4.1Å; V936-F941 HydrophobicContact CG2-CE1 4.49Å; V936-F941 WeakPolarHBondContact O-CD1 3.49Å; V936-L969 HydrophobicContact CG1-CD1 3.81Å; V936-L969 HydrophobicContact CG1-CD2 3.51Å; V936-L969 HydrophobicContact CG1-CG 3.66Å; V936-L969 HydrophobicContact CG2-CD1 3.79Å; V936-L969 HydrophobicContact CG2-CG 4.08Å
937	K	79.1	Confident	84.3	Confident	139 Å²	139	44 Å²	44	60%	0.604	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-82.3	-8.9	179	-64.8	173.1	-171.7	164.9	0	112.2	E933 G934 Y935	E933-K937 IonicContact OE1-NZ 3.9Å; E933-K937 PolarHBondContact OE1-NZ 3.2Å; G934-K937 PolarHBondContact O-N 2.97Å; Y935-K937 PolarHBondContact O-N 2.92Å; Y935-K937 VanDerWaalsContact O-N 3.16Å
938	T	81.7	Confident	84	Confident	39 Å²	39	44 Å²	44	24%	0.239	23%	0.226	C	C	.	.	S	Bend	trans	-77.7	150.7	-177.8	72.5	0	0	0	0	112.9	Y935 V936 V940 F941	Y935-T938 HydrophobicContact CD2-CG2 4.47Å; Y935-T938 WeakPolarHBondContact O-CB 3.43Å; Y935-T938 WeakPolarHBondContact O-CG2 3.35Å; Y935-T938 PolarHBondContact O-N 2.97Å; Y935-T938 PolarHBondContact O-OG1 3.18Å; V936-T938 VanDerWaalsContact C-N 3.29Å; T938-V940 VanDerWaalsContact C-N 3.29Å; T938-F941 WeakPolarHBondContact OG1-CB 3.25Å; T938-F941 PolarHBondContact OG1-N 3.35Å
939	G	79.4	Confident	83.6	Confident	58 Å²	58	47 Å²	47	60%	0.598	24%	0.24	S	C	*	.	H	α-helix	trans	-68	-28.7	173.4	0	0	0	0	0	113.2	R942 L943	G939-R942 PolarHBondContact O-N 2.84Å; G939-L943 WeakPolarHBondContact O-CB 3.29Å; G939-L943 PolarHBondContact O-N 2.8Å
940	V	82.6	Confident	83	Confident	42 Å²	42	50.8 Å²	50.8	26%	0.255	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-45.5	179	-174.7	0	0	0	0	110.6	L913 L917 T938 R942 L943 A944	L913-V940 HydrophobicContact CD2-CG2 4.09Å; L917-V940 HydrophobicContact CD1-CG1 4.18Å; T938-V940 VanDerWaalsContact C-N 3.29Å; V940-R942 VanDerWaalsContact C-N 3.35Å; V940-R942 PolarHBondContact O-N 3.41Å; V940-L943 PolarHBondContact O-N 3.36Å; V940-A944 WeakPolarHBondContact O-CB 3.38Å; V940-A944 PolarHBondContact O-N 3.45Å
941	F	86.8	Confident	82.6	Confident	22 Å²	22	52.1 Å²	52.1	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-47.3	173.7	170	-108.2	0	0	0	111.9	F929 L931 Y935 V936 T938 L943 A944 M945 L969	F929-F941 AromaticContact CD1-CD2 3.92Å; F929-F941 HydrophobicContact CD1-CD2 3.92Å; F929-F941 AromaticContact CD1-CE2 3.87Å; F929-F941 HydrophobicContact CD1-CE2 3.87Å; F929-F941 HydrophobicContact CE1-CD2 4.43Å; F929-F941 HydrophobicContact CE1-CE2 4.48Å; L931-F941 HydrophobicContact CD2-CD2 4.19Å; L931-F941 HydrophobicContact CD2-CE2 3.58Å; L931-F941 HydrophobicContact CD2-CZ 4.14Å; Y935-F941 HydrophobicContact CD1-CB 4.35Å; Y935-F941 HydrophobicContact CD1-CD2 4.11Å; Y935-F941 HydrophobicContact CD1-CG 4.47Å; Y935-F941 HydrophobicContact CE1-CB 3.97Å; Y935-F941 AromaticContact CE1-CD2 3.62Å; Y935-F941 HydrophobicContact CE1-CD2 3.62Å; Y935-F941 HydrophobicContact CE1-CG 4.18Å; Y935-F941 HydrophobicContact CE2-CB 4.24Å; Y935-F941 WeakPolarHBondContact O-CB 3.48Å; V936-F941 HydrophobicContact CB-CD1 4.49Å; V936-F941 HydrophobicContact CB-CE1 4.48Å; V936-F941 HydrophobicContact CG1-CD1 4.41Å; V936-F941 HydrophobicContact CG1-CE1 4.1Å; V936-F941 HydrophobicContact CG2-CE1 4.49Å; V936-F941 WeakPolarHBondContact O-CD1 3.49Å; T938-F941 WeakPolarHBondContact OG1-CB 3.25Å; T938-F941 PolarHBondContact OG1-N 3.35Å; F941-L943 VanDerWaalsContact C-N 3.32Å; F941-L943 PolarHBondContact O-N 2.9Å; F941-A944 PolarHBondContact O-N 2.99Å; F941-M945 HydrophobicContact CE2-CB 4.44Å; F941-M945 WeakPolarHBondContact O-CB 3.47Å; F941-M945 PolarHBondContact O-N 3.13Å; F941-L969 HydrophobicContact CE1-CD1 4.46Å; F941-L969 HydrophobicContact CZ-CD1 4.18Å
942	R	84	Confident	82	Confident	176 Å²	176	52.5 Å²	52.5	66%	0.664	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-41.6	179.3	-67.5	-177.6	-177.2	-175.8	1	112	G939 V940 Y946	G939-R942 PolarHBondContact O-N 2.84Å; V940-R942 VanDerWaalsContact C-N 3.35Å; V940-R942 PolarHBondContact O-N 3.41Å; R942-Y946 VanDerWaalsContact O-CB 3.28Å; R942-Y946 WeakPolarHBondContact O-CB 3.29Å; R942-Y946 PolarHBondContact O-N 3.08Å
943	L	83.5	Confident	81.5	Confident	52 Å²	52	56.1 Å²	56.1	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-50.3	179	179.8	65.8	0	0	0	111.8	V914 L917 G939 V940 F941 M945 Y946 L947	V914-L943 HydrophobicContact CG2-CD2 3.9Å; L917-L943 HydrophobicContact CD1-CD2 3.81Å; L917-L943 HydrophobicContact CD1-CG 4.27Å; G939-L943 WeakPolarHBondContact O-CB 3.29Å; G939-L943 PolarHBondContact O-N 2.8Å; V940-L943 PolarHBondContact O-N 3.36Å; F941-L943 VanDerWaalsContact C-N 3.32Å; F941-L943 PolarHBondContact O-N 2.9Å; L943-M945 VanDerWaalsContact C-N 3.31Å; L943-M945 PolarHBondContact O-N 3.32Å; L943-Y946 PolarHBondContact O-N 3.47Å; L943-L947 HydrophobicContact CD1-CD1 4.33Å; L943-L947 HydrophobicContact CD1-CG 4.46Å; L943-L947 HydrophobicContact CG-CD1 4.15Å; L943-L947 WeakPolarHBondContact O-CG 3.46Å; L943-L947 PolarHBondContact O-N 3.33Å
944	A	85	Confident	80.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-40.6	178.7	0	0	0	0	0	111.7	L917 F929 V940 F941 L947 A948	L917-A944 HydrophobicContact CD2-CB 4.02Å; F929-A944 HydrophobicContact CE1-CB 3.94Å; F929-A944 HydrophobicContact CZ-CB 4.49Å; V940-A944 WeakPolarHBondContact O-CB 3.38Å; V940-A944 PolarHBondContact O-N 3.45Å; F941-A944 PolarHBondContact O-N 2.99Å; A944-L947 PolarHBondContact O-N 2.99Å; A944-A948 WeakPolarHBondContact O-CB 3.37Å; A944-A948 PolarHBondContact O-N 3.26Å
945	M	85	Confident	80.4	Confident	26 Å²	26	58.8 Å²	58.8	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-66.2	-39.4	175.7	-169.5	65.8	-170.9	0	0	112.1	F929 F941 L943 H949 I960 F974	F929-M945 HydrophobicContact CD2-SD 4.42Å; F929-M945 HydrophobicContact CE1-CB 4.23Å; F929-M945 HydrophobicContact CE1-SD 4.18Å; F929-M945 HydrophobicContact CE2-SD 4.03Å; F929-M945 HydrophobicContact CZ-CB 4.45Å; F929-M945 HydrophobicContact CZ-SD 3.9Å; F941-M945 HydrophobicContact CE2-CB 4.44Å; F941-M945 WeakPolarHBondContact O-CB 3.47Å; F941-M945 PolarHBondContact O-N 3.13Å; L943-M945 VanDerWaalsContact C-N 3.31Å; L943-M945 PolarHBondContact O-N 3.32Å; M945-H949 VanDerWaalsContact O-CB 3.29Å; M945-H949 WeakPolarHBondContact O-CB 3.47Å; M945-H949 PolarHBondContact O-N 3.46Å; M945-I960 HydrophobicContact CE-CD1 3.93Å; M945-I960 HydrophobicContact CE-CG2 4.11Å; M945-I960 HydrophobicContact SD-CD1 4.4Å; M945-I960 HydrophobicContact SD-CG2 4.33Å; M945-F974 HydrophobicContact CE-CD1 4.03Å; M945-F974 HydrophobicContact CE-CE1 3.1Å; M945-F974 HydrophobicContact CE-CE2 3.92Å; M945-F974 HydrophobicContact CE-CZ 3.04Å
946	Y	84.6	Confident	79.5	Confident	157 Å²	157	63.3 Å²	63.3	62%	0.616	31%	0.313	S	S	*	.	H	α-helix	trans	-63.9	-46.8	174.7	-177.7	-90.7	0	0	0	111.5	R942 L943 H949 Q950	R942-Y946 VanDerWaalsContact O-CB 3.28Å; R942-Y946 WeakPolarHBondContact O-CB 3.29Å; R942-Y946 PolarHBondContact O-N 3.08Å; L943-Y946 PolarHBondContact O-N 3.47Å; Y946-H949 PolarHBondContact O-N 2.86Å; Y946-Q950 WeakPolarHBondContact O-CB 3.45Å; Y946-Q950 PolarHBondContact O-N 3.24Å
947	L	85.4	Confident	78.9	Confident	26 Å²	26	63.3 Å²	63.3	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-43	178.2	-69.8	170.4	0	0	0	112.2	L917 I921 L943 A944 H949 Q950 R951	L917-L947 HydrophobicContact CB-CD1 3.99Å; I921-L947 HydrophobicContact CD1-CB 3.83Å; L943-L947 HydrophobicContact CD1-CD1 4.33Å; L943-L947 HydrophobicContact CD1-CG 4.46Å; L943-L947 HydrophobicContact CG-CD1 4.15Å; L943-L947 WeakPolarHBondContact O-CG 3.46Å; L943-L947 PolarHBondContact O-N 3.33Å; A944-L947 PolarHBondContact O-N 2.99Å; L947-H949 VanDerWaalsContact C-N 3.32Å; L947-H949 PolarHBondContact O-N 2.91Å; L947-Q950 PolarHBondContact O-N 3.29Å; L947-R951 PolarHBondContact O-N 3.28Å
948	A	82.4	Confident	78.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-34.6	175.8	0	0	0	0	0	112.2	I921 F929 A944 L952 V959 I960	I921-A948 HydrophobicContact CD1-CB 4.39Å; I921-A948 HydrophobicContact CG2-CB 4.39Å; F929-A948 HydrophobicContact CE2-CB 4.27Å; F929-A948 HydrophobicContact CZ-CB 4.02Å; A944-A948 WeakPolarHBondContact O-CB 3.37Å; A944-A948 PolarHBondContact O-N 3.26Å; A948-L952 PolarHBondContact O-N 3.37Å; A948-V959 HydrophobicContact CB-CG2 4.42Å; A948-I960 HydrophobicContact CB-CD1 4.09Å; A948-I960 HydrophobicContact CB-CG1 3.77Å
949	H	81.7	Confident	78.6	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.296	27%	0.273	S	S	.	.	H	α-helix	trans	-71.9	-36.8	174.8	-166.7	60.3	0	0	0	112.5	M945 Y946 L947 R951 L952 L953	M945-H949 VanDerWaalsContact O-CB 3.29Å; M945-H949 WeakPolarHBondContact O-CB 3.47Å; M945-H949 PolarHBondContact O-N 3.46Å; Y946-H949 PolarHBondContact O-N 2.86Å; L947-H949 VanDerWaalsContact C-N 3.32Å; L947-H949 PolarHBondContact O-N 2.91Å; H949-R951 VanDerWaalsContact C-N 3.33Å; H949-L952 WeakPolarHBondContact O-CB 3.11Å; H949-L952 PolarHBondContact O-N 3.21Å; H949-L953 PolarHBondContact O-N 3.28Å; H949-L953 VanDerWaalsContact O-N 3.14Å
950	Q	78.5	Confident	78.9	Confident	79 Å²	79	52.2 Å²	52.2	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-42.7	173.1	-175.9	176.4	-15.9	0	0	110.8	Y946 L947 L952 L953 D954	Y946-Q950 WeakPolarHBondContact O-CB 3.45Å; Y946-Q950 PolarHBondContact O-N 3.24Å; L947-Q950 PolarHBondContact O-N 3.29Å; Q950-L952 VanDerWaalsContact C-N 3.31Å; Q950-L952 PolarHBondContact O-N 2.94Å; Q950-L953 PolarHBondContact O-N 2.94Å; Q950-L953 VanDerWaalsContact O-N 3.08Å; Q950-D954 WeakPolarHBondContact CG-OD2 3.46Å; Q950-D954 PolarHBondContact NE2-OD2 3.09Å; Q950-D954 WeakPolarHBondContact O-CB 3.32Å; Q950-D954 PolarHBondContact O-N 2.77Å
951	R	79.5	Confident	79	Confident	28 Å²	28	50.2 Å²	50.2	11%	0.106	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-39.5	174.3	-168.3	179	-178.2	-170.6	6.6	112.8	I921 Q922 S924 L947 H949 L953 E955	I921-R951 PolarHBondContact O-NH1 3.4Å; Q922-R951 PolarHBondContact O-NH1 2.92Å; Q922-R951 VanDerWaalsContact O-NH1 3.15Å; Q922-R951 PolarHBondContact O-NH2 3.45Å; S924-R951 PolarHBondContact O-NH1 2.66Å; L947-R951 PolarHBondContact O-N 3.28Å; H949-R951 VanDerWaalsContact C-N 3.33Å; R951-L953 VanDerWaalsContact C-N 3.31Å; R951-L953 PolarHBondContact O-N 3.31Å; R951-E955 HydrophobicContact CG-CG 4.38Å; R951-E955 IonicContact CZ-OE2 2.98Å; R951-E955 IonicContact NE-OE1 3.19Å; R951-E955 IonicContact NE-OE2 2.59Å; R951-E955 PolarHBondContact NE-OE2 3.16Å; R951-E955 IonicContact NH2-OE2 2.85Å; R951-E955 PolarHBondContact NH2-OE2 2.92Å; R951-E955 WeakPolarHBondContact O-CB 3.36Å; R951-E955 PolarHBondContact O-N 2.87Å
952	L	75.3	Confident	79.1	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-42.2	173.7	169.5	66.7	0	0	0	112	A948 H949 Q950 N956 V957 D958 Y1015	A948-L952 PolarHBondContact O-N 3.37Å; H949-L952 WeakPolarHBondContact O-CB 3.11Å; H949-L952 PolarHBondContact O-N 3.21Å; Q950-L952 VanDerWaalsContact C-N 3.31Å; Q950-L952 PolarHBondContact O-N 2.94Å; L952-N956 WeakPolarHBondContact O-CA 3.47Å; L952-N956 PolarHBondContact O-N 3.06Å; L952-V957 WeakPolarHBondContact CA-O 3.41Å; L952-D958 HydrophobicContact CD1-CB 4.03Å; L952-Y1015 HydrophobicContact CD1-CE2 4.01Å; L952-Y1015 WeakPolarHBondContact CD1-OH 3.41Å; L952-Y1015 WeakPolarHBondContact CD2-OH 3Å
953	L	72.1	Confident	79.3	Confident	83 Å²	83	41 Å²	41	44%	0.435	20%	0.198	S	C	.	.	H	α-helix	trans	-75.1	-40.1	-178.3	-67.8	169.9	0	0	0	112.7	H949 Q950 R951 F1023	H949-L953 PolarHBondContact O-N 3.28Å; H949-L953 VanDerWaalsContact O-N 3.14Å; Q950-L953 PolarHBondContact O-N 2.94Å; Q950-L953 VanDerWaalsContact O-N 3.08Å; R951-L953 VanDerWaalsContact C-N 3.31Å; R951-L953 PolarHBondContact O-N 3.31Å; L953-F1023 HydrophobicContact CD2-CD1 4.33Å
954	D	68.7	Low	79.4	Confident	115 Å²	115	38.7 Å²	38.7	62%	0.615	19%	0.186	S	C	*	.	H	α-helix	trans	-78.3	-38.6	-175.7	-69.9	-16.5	0	0	0	112.3	Q950	Q950-D954 WeakPolarHBondContact CG-OD2 3.46Å; Q950-D954 PolarHBondContact NE2-OD2 3.09Å; Q950-D954 WeakPolarHBondContact O-CB 3.32Å; Q950-D954 PolarHBondContact O-N 2.77Å
955	E	67.3	Low	79.2	Confident	94 Å²	94	40.7 Å²	40.7	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-104.2	-9	-176.1	-63	178.5	-177.9	0	0	113.7	R951 V957	R951-E955 HydrophobicContact CG-CG 4.38Å; R951-E955 IonicContact CZ-OE2 2.98Å; R951-E955 IonicContact NE-OE1 3.19Å; R951-E955 IonicContact NE-OE2 2.59Å; R951-E955 PolarHBondContact NE-OE2 3.16Å; R951-E955 IonicContact NH2-OE2 2.85Å; R951-E955 PolarHBondContact NH2-OE2 2.92Å; R951-E955 WeakPolarHBondContact O-CB 3.36Å; R951-E955 PolarHBondContact O-N 2.87Å; E955-V957 VanDerWaalsContact C-N 3.3Å; E955-V957 HydrophobicContact CB-CB 4.36Å; E955-V957 HydrophobicContact CB-CG2 4.21Å; E955-V957 WeakPolarHBondContact O-CG2 3.22Å; E955-V957 PolarHBondContact O-N 2.9Å
956	N	65.9	Low	78.9	Confident	100 Å²	100	43.7 Å²	43.7	54%	0.535	21%	0.21	S	C	.	.			trans	59.6	31.7	-171.7	-82.6	-42.4	0	0	0	114.5	L952	L952-N956 WeakPolarHBondContact O-CA 3.47Å; L952-N956 PolarHBondContact O-N 3.06Å
957	V	68.1	Low	78.4	Confident	22 Å²	22	40.6 Å²	40.6	13%	0.133	21%	0.209	C	C	.	.			trans	-121.9	119.7	-173.9	174	0	0	0	0	110.3	L952 E955 V959 N1011	L952-V957 WeakPolarHBondContact CA-O 3.41Å; E955-V957 VanDerWaalsContact C-N 3.3Å; E955-V957 HydrophobicContact CB-CB 4.36Å; E955-V957 HydrophobicContact CB-CG2 4.21Å; E955-V957 WeakPolarHBondContact O-CG2 3.22Å; E955-V957 PolarHBondContact O-N 2.9Å; V957-V959 HydrophobicContact CG1-CG1 3.82Å; V957-V959 PolarHBondContact O-N 2.94Å; V957-N1011 HydrophobicContact CB-CB 4.45Å; V957-N1011 HydrophobicContact CG1-CB 3.29Å; V957-N1011 VanDerWaalsContact CG1-ND2 3.32Å; V957-N1011 WeakPolarHBondContact CG1-ND2 3.4Å
958	D	74.4	Confident	77.9	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.207	C	C	.	.			trans	-84	106	176.8	-161.1	-9.2	0	0	0	112.2	K926 L952 I960 R978 N1011 Y1015	K926-D958 PolarHBondContact NZ-O 3.48Å; L952-D958 HydrophobicContact CD1-CB 4.03Å; D958-I960 PolarHBondContact OD1-N 2.62Å; D958-R978 IonicContact OD1-CZ 3.89Å; D958-R978 IonicContact OD1-NH1 2.76Å; D958-R978 IonicContact OD1-NH2 2.82Å; D958-R978 PolarHBondContact OD1-NH2 3.26Å; D958-R978 IonicContact OD2-CZ 2.7Å; D958-R978 IonicContact OD2-NH1 3.63Å; D958-R978 PolarHBondContact OD2-NH1 3.3Å; D958-R978 IonicContact OD2-NH2 3.86Å; D958-R978 PolarHBondContact OD2-NH2 2.96Å; D958-N1011 PolarHBondContact N-O 3.22Å; D958-Y1015 HydrophobicContact CB-CE2 3.61Å; D958-Y1015 WeakPolarHBondContact CB-OH 3.15Å; D958-Y1015 PolarHBondContact OD2-OH 3.37Å
959	V	79.8	Confident	77.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.			trans	-98.1	-9.5	178.6	-58.9	0	0	0	0	112.8	R925 K926 T927 A948 V957	R925-V959 WeakPolarHBondContact O-CG1 3.37Å; K926-V959 CarbonylContact C-O 3.54Å; K926-V959 WeakPolarHBondContact CA-O 3.42Å; T927-V959 PolarHBondContact N-O 2.95Å; A948-V959 HydrophobicContact CB-CG2 4.42Å; V957-V959 HydrophobicContact CG1-CG1 3.82Å; V957-V959 PolarHBondContact O-N 2.94Å
960	I	85.9	Confident	76.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.5	-167.4	-61	166.7	0	0	0	111.5	F929 M945 A948 D958 L962 R978	F929-I960 HydrophobicContact CD2-CG2 4.03Å; F929-I960 HydrophobicContact CE2-CG1 4.33Å; F929-I960 HydrophobicContact CE2-CG2 3.97Å; M945-I960 HydrophobicContact CE-CD1 3.93Å; M945-I960 HydrophobicContact CE-CG2 4.11Å; M945-I960 HydrophobicContact SD-CD1 4.4Å; M945-I960 HydrophobicContact SD-CG2 4.33Å; A948-I960 HydrophobicContact CB-CD1 4.09Å; A948-I960 HydrophobicContact CB-CG1 3.77Å; D958-I960 PolarHBondContact OD1-N 2.62Å; I960-L962 HydrophobicContact CG2-CD2 3.94Å; I960-L962 HydrophobicContact CG2-CG 4.3Å; I960-R978 PolarHBondContact O-NH2 2.97Å
961	V	86.3	Confident	76.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.8	169.3	-174.7	0	0	0	0	108.5	K926 T927 L928 F929 S985 V1006	K926-V961 HydrophobicContact CB-CG2 4.35Å; K926-V961 HydrophobicContact CD-CG2 4.24Å; K926-V961 HydrophobicContact CG-CG2 4.42Å; T927-V961 PolarHBondContact O-N 3.34Å; L928-V961 CarbonylContact C-O 3.09Å; L928-V961 WeakPolarHBondContact CA-O 3.46Å; L928-V961 HydrophobicContact CD1-CB 3.71Å; L928-V961 HydrophobicContact CD1-CG1 3.45Å; L928-V961 VanDerWaalsContact CD1-CG1 3.45Å; F929-V961 PolarHBondContact N-O 3.05Å; V961-S985 WeakPolarHBondContact CA-O 3.28Å; V961-V1006 HydrophobicContact CG1-CG1 3.9Å; V961-V1006 HydrophobicContact CG2-CG1 4.13Å
962	L	87.1	Confident	76.3	Confident	4 Å²	4	47 Å²	47	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.9	-179.6	-57.9	-177.5	0	0	0	109.7	F929 L931 I960 F974 L975 S985 V986 V987	F929-L962 HydrophobicContact CB-CD2 3.78Å; F929-L962 HydrophobicContact CD2-CD2 3.98Å; F929-L962 HydrophobicContact CG-CD2 4.07Å; L931-L962 HydrophobicContact CD1-CB 4.12Å; L931-L962 HydrophobicContact CD1-CD1 4.48Å; L931-L962 HydrophobicContact CD1-CD2 4.24Å; I960-L962 HydrophobicContact CG2-CD2 3.94Å; I960-L962 HydrophobicContact CG2-CG 4.3Å; L962-F974 HydrophobicContact CD1-CE1 4.28Å; L962-L975 HydrophobicContact CD1-CD1 3.7Å; L962-S985 PolarHBondContact N-O 2.8Å; L962-V986 HydrophobicContact CB-CG2 4.48Å; L962-V986 HydrophobicContact CD1-CG2 4.47Å; L962-V986 CarbonylContact O-C 3.51Å; L962-V986 WeakPolarHBondContact O-CA 3.04Å; L962-V987 PolarHBondContact O-N 2.95Å
963	L	88.3	Confident	76.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.8	175.9	-172.9	165	0	0	0	108.9	W881 L886 L928 F929 V930 L931 L965 V987 F999 L1003	W881-L963 HydrophobicContact CH2-CD1 4.17Å; W881-L963 HydrophobicContact CH2-CD2 4.06Å; W881-L963 HydrophobicContact CZ3-CD2 4.4Å; L886-L963 HydrophobicContact CD1-CD1 3.95Å; L928-L963 HydrophobicContact CD1-CB 3.89Å; L928-L963 HydrophobicContact CD1-CD1 4.35Å; L928-L963 HydrophobicContact CD2-CD1 4.16Å; L928-L963 HydrophobicContact CG-CB 4.46Å; F929-L963 PolarHBondContact O-N 3.06Å; V930-L963 HydrophobicContact CG1-CD2 4.31Å; L931-L963 PolarHBondContact N-O 3.4Å; L963-L965 HydrophobicContact CD2-CD2 3.63Å; L963-L965 HydrophobicContact CD2-CG 3.83Å; L963-V987 CarbonylContact C-O 3.06Å; L963-V987 VanDerWaalsContact CA-O 3.32Å; L963-V987 WeakPolarHBondContact CA-O 3.35Å; L963-F999 HydrophobicContact CD1-CZ 3.87Å; L963-F999 HydrophobicContact CD2-CZ 4.43Å; L963-F999 HydrophobicContact CG-CE2 4.48Å; L963-F999 HydrophobicContact CG-CZ 4.05Å; L963-L1003 HydrophobicContact CD1-CD1 4.15Å; L963-L1003 HydrophobicContact CD1-CD2 3.77Å
964	M	85.6	Confident	76.6	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110	-177.4	-70.2	177.9	-60.7	0	0	110.1	L931 L975 R979 V986 V987 E988 W989	L931-M964 HydrophobicContact CB-CG 4.26Å; L931-M964 HydrophobicContact CD1-CG 3.94Å; M964-L975 HydrophobicContact SD-CD1 4.17Å; M964-L975 HydrophobicContact SD-CD2 3.87Å; M964-R979 VanDerWaalsContact CE-NH2 3.28Å; M964-V986 HydrophobicContact CE-CG1 3.29Å; M964-V986 HydrophobicContact SD-CG1 4.46Å; M964-V987 PolarHBondContact N-O 2.97Å; M964-E988 HydrophobicContact CB-CG 4.24Å; M964-E988 HydrophobicContact CE-CG 3.33Å; M964-E988 VanDerWaalsContact CE-OE1 3.26Å; M964-E988 WeakPolarHBondContact CE-OE1 3.38Å; M964-W989 PolarHBondContact O-N 3.34Å
965	L	81.3	Confident	77.1	Confident	42 Å²	42	47.9 Å²	47.9	22%	0.22	24%	0.243	C	C	.	.	S	Bend	trans	-80.7	-30.2	169.8	-65.5	-179.5	0	0	0	111.1	W881 V930 L931 T932 L963 W989	W881-L965 HydrophobicContact CD2-CD1 4.12Å; W881-L965 HydrophobicContact CD2-CD2 4.25Å; W881-L965 HydrophobicContact CE3-CD1 3.83Å; W881-L965 HydrophobicContact CE3-CD2 4.26Å; W881-L965 HydrophobicContact CH2-CD2 3.67Å; W881-L965 HydrophobicContact CZ2-CD2 3.63Å; W881-L965 HydrophobicContact CZ3-CD1 4.09Å; W881-L965 HydrophobicContact CZ3-CD2 3.99Å; W881-L965 HydrophobicContact CZ3-CG 4.47Å; V930-L965 HydrophobicContact CG1-CD1 3.55Å; V930-L965 HydrophobicContact CG1-CG 3.96Å; L931-L965 PolarHBondContact O-N 3.49Å; T932-L965 HydrophobicContact CG2-CB 4.37Å; T932-L965 HydrophobicContact CG2-CD1 4.37Å; L963-L965 HydrophobicContact CD2-CD2 3.63Å; L963-L965 HydrophobicContact CD2-CG 3.83Å; L965-W989 HydrophobicContact CD2-CB 4.01Å; L965-W989 HydrophobicContact CD2-CD2 4.35Å; L965-W989 HydrophobicContact CD2-CE3 4.49Å; L965-W989 HydrophobicContact CD2-CG 4.16Å
966	E	78.9	Confident	77.6	Confident	88 Å²	88	49.7 Å²	49.7	41%	0.411	25%	0.246	S	C	.	.	S	Bend	trans	-123.9	156.2	175.3	-66.1	175.7	165.6	0	0	109.9	E933 V968	E933-E966 PolarHBondContact N-OE2 2.8Å; E966-V968 HydrophobicContact CB-CG2 4.47Å; E966-V968 VanDerWaalsContact O-CG2 3.28Å; E966-V968 WeakPolarHBondContact O-CG2 3.38Å; E966-V968 PolarHBondContact O-N 3.21Å
967	P	73.9	Confident	78.1	Confident	92 Å²	92	48.8 Å²	48.8	60%	0.597	24%	0.241	S	C	*	.			trans	-75.8	64.2	178.2	32.3	-35.5	0	0	0	112	Q970	P967-Q970 HydrophobicContact CB-CG 4.32Å; P967-Q970 WeakPolarHBondContact O-CG 3.31Å
968	V	74.3	Confident	78.6	Confident	16 Å²	16	48.5 Å²	48.5	10%	0.097	24%	0.237	C	C	.	.			trans	-90.4	158.2	178.3	-88.1	0	0	0	0	112.7	L931 E933 E966 Q970	L931-V968 HydrophobicContact CB-CG2 3.81Å; E933-V968 VanDerWaalsContact CA-CG1 3.47Å; E933-V968 HydrophobicContact CB-CG1 3.81Å; E933-V968 HydrophobicContact CG-CG1 3.94Å; E966-V968 HydrophobicContact CB-CG2 4.47Å; E966-V968 VanDerWaalsContact O-CG2 3.28Å; E966-V968 WeakPolarHBondContact O-CG2 3.38Å; E966-V968 PolarHBondContact O-N 3.21Å; V968-Q970 PolarHBondContact O-N 3.16Å; V968-Q970 VanDerWaalsContact O-N 3.07Å
969	L	70.5	Confident	78.7	Confident	53 Å²	53	51.9 Å²	51.9	28%	0.277	25%	0.25	S	C	.	.	S	Bend	trans	59.3	15.9	178.2	-67.1	170.3	0	0	0	116.2	L931 V936 F941 H971 S972 L975	L931-L969 HydrophobicContact CD1-CD1 4.26Å; V936-L969 HydrophobicContact CG1-CD1 3.81Å; V936-L969 HydrophobicContact CG1-CD2 3.51Å; V936-L969 HydrophobicContact CG1-CG 3.66Å; V936-L969 HydrophobicContact CG2-CD1 3.79Å; V936-L969 HydrophobicContact CG2-CG 4.08Å; F941-L969 HydrophobicContact CE1-CD1 4.46Å; F941-L969 HydrophobicContact CZ-CD1 4.18Å; L969-H971 PolarHBondContact O-N 3.16Å; L969-S972 WeakPolarHBondContact O-CB 3.42Å; L969-S972 PolarHBondContact O-N 3Å; L969-L975 HydrophobicContact CB-CB 4.46Å; L969-L975 HydrophobicContact CB-CD2 3.99Å; L969-L975 VanDerWaalsContact O-CD2 3.31Å; L969-L975 WeakPolarHBondContact O-CD2 3.17Å
970	Q	70.1	Confident	78.5	Confident	63 Å²	63	62.7 Å²	62.7	29%	0.294	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.4	-179	-64.9	-77	-18.8	0	0	114.3	P967 V968 R976	P967-Q970 HydrophobicContact CB-CG 4.32Å; P967-Q970 WeakPolarHBondContact O-CG 3.31Å; V968-Q970 PolarHBondContact O-N 3.16Å; V968-Q970 VanDerWaalsContact O-N 3.07Å; Q970-R976 PolarHBondContact O-NE 2.74Å; Q970-R976 PolarHBondContact O-NH2 3.44Å
971	H	71.2	Confident	77.7	Confident	161 Å²	161	64.8 Å²	64.8	75%	0.745	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6	177.7	-63	85.7	0	0	0	113.6	L969 H973 R976	L969-H971 PolarHBondContact O-N 3.16Å; H971-H973 PolarHBondContact O-N 2.8Å; H971-R976 PolarHBondContact CD2-NH2 2.98Å
972	S	77.2	Confident	77	Confident	38 Å²	38	65 Å²	65	27%	0.266	30%	0.303	S	S	.	.			trans	-67.8	127.5	179	177.8	0	0	0	0	110.9	L969 F974 L975 R976	L969-S972 WeakPolarHBondContact O-CB 3.42Å; L969-S972 PolarHBondContact O-N 3Å; S972-F974 PolarHBondContact O-N 3.05Å; S972-F974 PolarHBondContact OG-N 2.88Å; S972-L975 PolarHBondContact O-N 3.29Å; S972-R976 WeakPolarHBondContact O-CG 3.41Å; S972-R976 PolarHBondContact O-N 3.45Å; S972-R976 VanDerWaalsContact O-N 3.08Å
973	H	77.1	Confident	76.3	Confident	150 Å²	150	72 Å²	72	69%	0.694	34%	0.336	S	S	*	.	H	α-helix	trans	-57.8	-34.9	174.1	-166.9	-89.5	0	0	0	111.1	H971 L977	H971-H973 PolarHBondContact O-N 2.8Å; H973-L977 WeakPolarHBondContact O-CB 3.39Å; H973-L977 PolarHBondContact O-N 2.62Å
974	F	76.8	Confident	75.5	Confident	73 Å²	73	79.3 Å²	79.3	32%	0.32	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-48.9	177.6	-178.9	-90.3	0	0	0	112.3	M945 L962 S972 R976 L977 R978	M945-F974 HydrophobicContact CE-CD1 4.03Å; M945-F974 HydrophobicContact CE-CE1 3.1Å; M945-F974 HydrophobicContact CE-CE2 3.92Å; M945-F974 HydrophobicContact CE-CZ 3.04Å; L962-F974 HydrophobicContact CD1-CE1 4.28Å; S972-F974 PolarHBondContact O-N 3.05Å; S972-F974 PolarHBondContact OG-N 2.88Å; F974-R976 PolarHBondContact O-N 3.12Å; F974-L977 PolarHBondContact O-N 2.99Å; F974-R978 HydrophobicContact CE1-CB 4.45Å; F974-R978 WeakPolarHBondContact O-CB 3.43Å; F974-R978 PolarHBondContact O-N 2.95Å
975	L	78.8	Confident	75.1	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-42.1	-179.9	-175.6	69.5	0	0	0	111.2	L962 M964 L969 S972 L977 R978 R979 V986	L962-L975 HydrophobicContact CD1-CD1 3.7Å; M964-L975 HydrophobicContact SD-CD1 4.17Å; M964-L975 HydrophobicContact SD-CD2 3.87Å; L969-L975 HydrophobicContact CB-CB 4.46Å; L969-L975 HydrophobicContact CB-CD2 3.99Å; L969-L975 VanDerWaalsContact O-CD2 3.31Å; L969-L975 WeakPolarHBondContact O-CD2 3.17Å; S972-L975 PolarHBondContact O-N 3.29Å; L975-L977 VanDerWaalsContact C-N 3.33Å; L975-L977 PolarHBondContact O-N 3.25Å; L975-R978 PolarHBondContact O-N 2.91Å; L975-R979 WeakPolarHBondContact O-CB 3.28Å; L975-R979 WeakPolarHBondContact O-CG 3.21Å; L975-R979 PolarHBondContact O-N 3.45Å; L975-V986 HydrophobicContact CD1-CG1 4.06Å; L975-V986 HydrophobicContact CD1-CG2 4.42Å
976	R	79.3	Confident	75.2	Confident	132 Å²	132	78.1 Å²	78.1	50%	0.498	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176.7	-70.4	177	178.7	-169.2	-2.8	112	Q970 H971 S972 F974 R980	Q970-R976 PolarHBondContact O-NE 2.74Å; Q970-R976 PolarHBondContact O-NH2 3.44Å; H971-R976 PolarHBondContact CD2-NH2 2.98Å; S972-R976 WeakPolarHBondContact O-CG 3.41Å; S972-R976 PolarHBondContact O-N 3.45Å; S972-R976 VanDerWaalsContact O-N 3.08Å; F974-R976 PolarHBondContact O-N 3.12Å; R976-R980 WeakPolarHBondContact O-CG 3.44Å; R976-R980 PolarHBondContact O-N 3.18Å
977	L	75.6	Confident	75.4	Confident	81 Å²	81	74.1 Å²	74.1	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-45.5	176.3	-175.2	67.4	0	0	0	111.1	H973 F974 L975 R980 L981	H973-L977 WeakPolarHBondContact O-CB 3.39Å; H973-L977 PolarHBondContact O-N 2.62Å; F974-L977 PolarHBondContact O-N 2.99Å; L975-L977 VanDerWaalsContact C-N 3.33Å; L975-L977 PolarHBondContact O-N 3.25Å; L977-R980 PolarHBondContact O-N 3.32Å; L977-R980 VanDerWaalsContact O-N 3.12Å; L977-L981 HydrophobicContact CD1-CD1 3.73Å; L977-L981 HydrophobicContact CD1-CG 4.28Å; L977-L981 HydrophobicContact CD2-CD1 4.26Å; L977-L981 HydrophobicContact CG-CD1 3.65Å; L977-L981 HydrophobicContact CG-CG 4.43Å; L977-L981 WeakPolarHBondContact O-CG 3.04Å; L977-L981 PolarHBondContact O-N 2.83Å
978	R	78.4	Confident	75.9	Confident	15 Å²	15	74.4 Å²	74.4	6%	0.057	34%	0.337	C	S	.	.	H	α-helix	trans	-67	-38	179.7	-165.4	171.9	-175.2	81.7	6.4	112.7	D958 I960 F974 L975 R980 L981 C982 S985 V986	D958-R978 IonicContact OD1-CZ 3.89Å; D958-R978 IonicContact OD1-NH1 2.76Å; D958-R978 IonicContact OD1-NH2 2.82Å; D958-R978 PolarHBondContact OD1-NH2 3.26Å; D958-R978 IonicContact OD2-CZ 2.7Å; D958-R978 IonicContact OD2-NH1 3.63Å; D958-R978 PolarHBondContact OD2-NH1 3.3Å; D958-R978 IonicContact OD2-NH2 3.86Å; D958-R978 PolarHBondContact OD2-NH2 2.96Å; I960-R978 PolarHBondContact O-NH2 2.97Å; F974-R978 HydrophobicContact CE1-CB 4.45Å; F974-R978 WeakPolarHBondContact O-CB 3.43Å; F974-R978 PolarHBondContact O-N 2.95Å; L975-R978 PolarHBondContact O-N 2.91Å; R978-R980 PolarHBondContact O-N 3.17Å; R978-L981 PolarHBondContact O-N 3.05Å; R978-C982 HydrophobicContact CG-CB 4.2Å; R978-C982 CarbonylContact O-C 3.29Å; R978-C982 VanDerWaalsContact O-C 3.23Å; R978-C982 WeakPolarHBondContact O-CA 3.32Å; R978-C982 PolarHBondContact O-N 2.85Å; R978-S985 PolarHBondContact NE-OG 2.93Å; R978-S985 VanDerWaalsContact NE-OG 3.14Å; R978-S985 PolarHBondContact NH2-OG 2.99Å; R978-V986 HydrophobicContact CG-CG2 4.21Å
979	R	76.9	Confident	76.4	Confident	74 Å²	74	76.9 Å²	76.9	28%	0.279	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-33.9	170.9	-81.1	-172.6	-177.6	171.5	4.5	112.5	M964 L975 E983 V986 E988	M964-R979 VanDerWaalsContact CE-NH2 3.28Å; L975-R979 WeakPolarHBondContact O-CB 3.28Å; L975-R979 WeakPolarHBondContact O-CG 3.21Å; L975-R979 PolarHBondContact O-N 3.45Å; R979-E983 WeakPolarHBondContact O-CA 3.13Å; R979-E983 VanDerWaalsContact O-CB 3.28Å; R979-E983 WeakPolarHBondContact O-CB 3.45Å; R979-V986 HydrophobicContact CG-CB 4.38Å; R979-V986 HydrophobicContact CG-CG1 4.2Å; R979-V986 HydrophobicContact CG-CG2 4.32Å; R979-E988 IonicContact CZ-OE1 3.08Å; R979-E988 IonicContact NE-OE1 2.7Å; R979-E988 IonicContact NH1-OE1 3.24Å; R979-E988 IonicContact NH2-OE1 2.8Å; R979-E988 PolarHBondContact NH2-OE1 2.76Å
980	R	75.1	Confident	77	Confident	226 Å²	226	75.7 Å²	75.7	85%	0.853	34%	0.34	S	S	*	.	H	α-helix	trans	-81.7	-32.4	178.3	-71.8	-179.1	178.1	-174.7	-0.4	113.7	R976 L977 R978	R976-R980 WeakPolarHBondContact O-CG 3.44Å; R976-R980 PolarHBondContact O-N 3.18Å; L977-R980 PolarHBondContact O-N 3.32Å; L977-R980 VanDerWaalsContact O-N 3.12Å; R978-R980 PolarHBondContact O-N 3.17Å
981	L	69.4	Low	77.3	Confident	45 Å²	45	84 Å²	84	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-94.9	-33.6	-174.4	-67.5	174.3	0	0	0	113.5	L977 R978 Y1019	L977-L981 HydrophobicContact CD1-CD1 3.73Å; L977-L981 HydrophobicContact CD1-CG 4.28Å; L977-L981 HydrophobicContact CD2-CD1 4.26Å; L977-L981 HydrophobicContact CG-CD1 3.65Å; L977-L981 HydrophobicContact CG-CG 4.43Å; L977-L981 WeakPolarHBondContact O-CG 3.04Å; L977-L981 PolarHBondContact O-N 2.83Å; R978-L981 PolarHBondContact O-N 3.05Å; L981-Y1019 HydrophobicContact CD1-CD2 3.69Å; L981-Y1019 HydrophobicContact CD1-CE2 3.73Å; L981-Y1019 HydrophobicContact CD2-CD2 4.3Å; L981-Y1019 HydrophobicContact CG-CD2 4.47Å
982	C	70.6	Confident	77.4	Confident	5 Å²	5	80.7 Å²	80.7	3%	0.034	36%	0.36	C	S	.	.			trans	-141.9	52.9	-173.1	-57	0	0	0	0	109.9	R978 K984 S985 Y1015	R978-C982 HydrophobicContact CG-CB 4.2Å; R978-C982 CarbonylContact O-C 3.29Å; R978-C982 VanDerWaalsContact O-C 3.23Å; R978-C982 WeakPolarHBondContact O-CA 3.32Å; R978-C982 PolarHBondContact O-N 2.85Å; C982-K984 PolarHBondContact O-N 3.14Å; C982-K984 VanDerWaalsContact O-N 3.1Å; C982-S985 VanDerWaalsContact CB-OG 3.29Å; C982-S985 WeakPolarHBondContact CB-OG 3.39Å; C982-S985 WeakPolarHBondContact O-CB 3.06Å; C982-S985 PolarHBondContact O-N 3.38Å; C982-S985 PolarHBondContact O-OG 3.49Å; C982-Y1015 WeakPolarHBondContact SG-CD1 2.9Å; C982-Y1015 WeakPolarHBondContact SG-CE1 3Å
983	E	72.6	Confident	77.3	Confident	153 Å²	153	82.8 Å²	82.8	72%	0.715	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-48.1	-42.6	-174.7	-170	176.7	-176.5	0	0	112.6	R979 S985 V986	R979-E983 WeakPolarHBondContact O-CA 3.13Å; R979-E983 VanDerWaalsContact O-CB 3.28Å; R979-E983 WeakPolarHBondContact O-CB 3.45Å; E983-S985 PolarHBondContact O-N 3.29Å; E983-V986 PolarHBondContact O-N 2.03Å
984	K	71.6	Confident	77.2	Confident	153 Å²	153	80.3 Å²	80.3	67%	0.665	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-65.6	-21.3	179.8	-62.7	-174.1	178.9	-175.3	0	114	C982 V986 V1006 M1014	C982-K984 PolarHBondContact O-N 3.14Å; C982-K984 VanDerWaalsContact O-N 3.1Å; K984-V986 VanDerWaalsContact C-N 3.26Å; K984-V986 PolarHBondContact O-N 3.1Å; K984-V1006 HydrophobicContact CB-CG2 4.39Å; K984-V1006 VanDerWaalsContact O-CG1 3.27Å; K984-V1006 WeakPolarHBondContact O-CG1 3.33Å; K984-V1006 WeakPolarHBondContact O-CG2 3.48Å; K984-M1014 HydrophobicContact CB-CE 3.57Å; K984-M1014 HydrophobicContact CB-SD 4.42Å
985	S	77	Confident	77.3	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.007	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-81.8	-1.9	178.4	72.1	0	0	0	0	113.9	V961 L962 R978 C982 E983	V961-S985 WeakPolarHBondContact CA-O 3.28Å; L962-S985 PolarHBondContact N-O 2.8Å; R978-S985 PolarHBondContact NE-OG 2.93Å; R978-S985 VanDerWaalsContact NE-OG 3.14Å; R978-S985 PolarHBondContact NH2-OG 2.99Å; C982-S985 VanDerWaalsContact CB-OG 3.29Å; C982-S985 WeakPolarHBondContact CB-OG 3.39Å; C982-S985 WeakPolarHBondContact O-CB 3.06Å; C982-S985 PolarHBondContact O-N 3.38Å; C982-S985 PolarHBondContact O-OG 3.49Å; E983-S985 PolarHBondContact O-N 3.29Å
986	V	83.5	Confident	77.4	Confident	19 Å²	19	81.4 Å²	81.4	12%	0.115	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109	180	-177.2	0	0	0	0	108.2	L962 M964 L975 R978 R979 E983 K984	L962-V986 HydrophobicContact CB-CG2 4.48Å; L962-V986 HydrophobicContact CD1-CG2 4.47Å; L962-V986 CarbonylContact O-C 3.51Å; L962-V986 WeakPolarHBondContact O-CA 3.04Å; M964-V986 HydrophobicContact CE-CG1 3.29Å; M964-V986 HydrophobicContact SD-CG1 4.46Å; L975-V986 HydrophobicContact CD1-CG1 4.06Å; L975-V986 HydrophobicContact CD1-CG2 4.42Å; R978-V986 HydrophobicContact CG-CG2 4.21Å; R979-V986 HydrophobicContact CG-CB 4.38Å; R979-V986 HydrophobicContact CG-CG1 4.2Å; R979-V986 HydrophobicContact CG-CG2 4.32Å; E983-V986 PolarHBondContact O-N 2.03Å; K984-V986 VanDerWaalsContact C-N 3.26Å; K984-V986 PolarHBondContact O-N 3.1Å
987	V	84.4	Confident	77.4	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.024	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131	-173.9	-164.3	0	0	0	0	109.4	L962 L963 M964 F999 L1003 V1006	L962-V987 PolarHBondContact O-N 2.95Å; L963-V987 CarbonylContact C-O 3.06Å; L963-V987 VanDerWaalsContact CA-O 3.32Å; L963-V987 WeakPolarHBondContact CA-O 3.35Å; M964-V987 PolarHBondContact N-O 2.97Å; V987-F999 HydrophobicContact CB-CE2 4.37Å; V987-F999 HydrophobicContact CG1-CD2 3.7Å; V987-F999 HydrophobicContact CG1-CE2 3.43Å; V987-F999 VanDerWaalsContact CG1-CE2 3.43Å; V987-F999 HydrophobicContact CG1-CZ 4.3Å; V987-L1003 HydrophobicContact CB-CD1 4.45Å; V987-L1003 HydrophobicContact CG2-CD1 4.12Å; V987-V1006 HydrophobicContact CG2-CG2 4.43Å
988	E	84	Confident	77.6	Confident	98 Å²	98	83.8 Å²	83.8	46%	0.458	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.7	-178.9	-74.6	-177.2	-168.1	0	0	111.1	M964 R979 F999	M964-E988 HydrophobicContact CB-CG 4.24Å; M964-E988 HydrophobicContact CE-CG 3.33Å; M964-E988 VanDerWaalsContact CE-OE1 3.26Å; M964-E988 WeakPolarHBondContact CE-OE1 3.38Å; R979-E988 IonicContact CZ-OE1 3.08Å; R979-E988 IonicContact NE-OE1 2.7Å; R979-E988 IonicContact NH1-OE1 3.24Å; R979-E988 IonicContact NH2-OE1 2.8Å; R979-E988 PolarHBondContact NH2-OE1 2.76Å; E988-F999 WeakPolarHBondContact O-CD2 3.48Å
989	W	84.3	Confident	78	Confident	68 Å²	68	83.3 Å²	83.3	26%	0.258	41%	0.41	S	S	.	.			trans	-66.9	131.4	173.5	-171.6	-101.8	0	0	0	110.7	W881 M964 L965 E996 F999 W1000	W881-W989 HydrophobicContact CH2-CE3 4.46Å; W881-W989 HydrophobicContact CH2-CZ3 4.48Å; W881-W989 HydrophobicContact CZ2-CD2 4.33Å; W881-W989 AromaticContact CZ2-CE3 3.66Å; W881-W989 HydrophobicContact CZ2-CE3 3.66Å; W881-W989 HydrophobicContact CZ2-CH2 4.07Å; W881-W989 AromaticContact CZ2-CZ3 3.53Å; W881-W989 HydrophobicContact CZ2-CZ3 3.53Å; M964-W989 PolarHBondContact O-N 3.34Å; L965-W989 HydrophobicContact CD2-CB 4.01Å; L965-W989 HydrophobicContact CD2-CD2 4.35Å; L965-W989 HydrophobicContact CD2-CE3 4.49Å; L965-W989 HydrophobicContact CD2-CG 4.16Å; W989-E996 HydrophobicContact CH2-CG 3.65Å; W989-E996 HydrophobicContact CZ2-CG 3.95Å; W989-E996 HydrophobicContact CZ3-CG 4.41Å; W989-F999 AromaticContact CE3-CD1 3.6Å; W989-F999 HydrophobicContact CE3-CD1 3.6Å; W989-F999 HydrophobicContact CE3-CD2 4.19Å; W989-F999 AromaticContact CE3-CE1 3.38Å; W989-F999 HydrophobicContact CE3-CE1 3.38Å; W989-F999 AromaticContact CE3-CE2 3.94Å; W989-F999 HydrophobicContact CE3-CE2 3.94Å; W989-F999 HydrophobicContact CE3-CG 4.03Å; W989-F999 AromaticContact CE3-CZ 3.55Å; W989-F999 HydrophobicContact CE3-CZ 3.55Å; W989-F999 HydrophobicContact CH2-CD1 4.46Å; W989-F999 AromaticContact CZ3-CD1 3.37Å; W989-F999 HydrophobicContact CZ3-CD1 3.37Å; W989-F999 AromaticContact CZ3-CE1 3.28Å; W989-F999 HydrophobicContact CZ3-CE1 3.28Å; W989-F999 HydrophobicContact CZ3-CG 4.17Å; W989-F999 AromaticContact CZ3-CZ 3.96Å; W989-F999 HydrophobicContact CZ3-CZ 3.96Å; W989-W1000 AromaticContact CH2-CE2 3.87Å; W989-W1000 HydrophobicContact CH2-CH2 4.5Å; W989-W1000 AromaticContact CH2-CZ2 3.55Å; W989-W1000 HydrophobicContact CH2-CZ2 3.55Å; W989-W1000 AromaticContact CH2-NE1 3.87Å; W989-W1000 AromaticContact CZ3-CE2 3.74Å; W989-W1000 HydrophobicContact CZ3-CH2 4.02Å; W989-W1000 AromaticContact CZ3-CZ2 3.41Å; W989-W1000 HydrophobicContact CZ3-CZ2 3.41Å; W989-W1000 VanDerWaalsContact CZ3-CZ2 3.41Å
990	P	82.4	Confident	78.5	Confident	29 Å²	29	80.4 Å²	80.4	19%	0.188	40%	0.399	C	S	.	.			trans	-71.4	144.1	-174.1	26.5	-32.3	0	0	0	112.1	T992 A995 F999	P990-T992 VanDerWaalsContact C-N 3.27Å; P990-T992 PolarHBondContact O-N 3.15Å; P990-A995 HydrophobicContact CB-CB 3.73Å; P990-A995 HydrophobicContact CG-CB 4.34Å; P990-F999 HydrophobicContact CG-CB 4.09Å
991	R	77.4	Confident	78.7	Confident	236 Å²	236	76.3 Å²	76.3	89%	0.891	39%	0.39	S	S	*	.	S	Bend	trans	-78.6	-8.2	177	-61.8	-176.1	-176.5	179.9	0.8	114
992	T	72.9	Confident	79.3	Confident	93 Å²	93	76.6 Å²	76.6	57%	0.571	39%	0.392	S	S	*	.	S	Bend	trans	-130.2	133.6	-178.5	54.4	0	0	0	0	110.1	P990 A994 A995	P990-T992 VanDerWaalsContact C-N 3.27Å; P990-T992 PolarHBondContact O-N 3.15Å; T992-A994 PolarHBondContact O-N 2.04Å; T992-A995 PolarHBondContact O-N 3.38Å; T992-A995 VanDerWaalsContact O-N 3.13Å
993	A	74.8	Confident	80	Confident	82 Å²	82	76.3 Å²	76.3	68%	0.678	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-61.1	-27.8	-174	0	0	0	0	0	113.6	A995 E996	A993-A995 PolarHBondContact O-N 3.38Å; A993-E996 WeakPolarHBondContact O-CB 3.03Å; A993-E996 PolarHBondContact O-N 3.02Å
994	A	74.5	Confident	80.5	Confident	98 Å²	98	71.8 Å²	71.8	81%	0.81	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.1	178	0	0	0	0	0	114	T992	T992-A994 PolarHBondContact O-N 2.04Å
995	A	79.6	Confident	80.7	Confident	33 Å²	33	67.8 Å²	67.8	27%	0.273	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-95	-1.4	-179.7	0	0	0	0	0	113.7	P990 T992 A993 W998 F999	P990-A995 HydrophobicContact CB-CB 3.73Å; P990-A995 HydrophobicContact CG-CB 4.34Å; T992-A995 PolarHBondContact O-N 3.38Å; T992-A995 VanDerWaalsContact O-N 3.13Å; A993-A995 PolarHBondContact O-N 3.38Å; A995-W998 PolarHBondContact O-N 3.17Å; A995-F999 PolarHBondContact O-N 3.25Å; A995-F999 VanDerWaalsContact O-N 3.15Å
996	E	81.8	Confident	80.9	Confident	64 Å²	64	67.9 Å²	67.9	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-42.2	-178.6	-163.2	-173.5	151.9	0	0	113.9	W989 A993 W998 F999 W1000	W989-E996 HydrophobicContact CH2-CG 3.65Å; W989-E996 HydrophobicContact CZ2-CG 3.95Å; W989-E996 HydrophobicContact CZ3-CG 4.41Å; A993-E996 WeakPolarHBondContact O-CB 3.03Å; A993-E996 PolarHBondContact O-N 3.02Å; E996-W998 VanDerWaalsContact C-N 3.26Å; E996-W998 PolarHBondContact O-N 3.14Å; E996-F999 WeakPolarHBondContact O-CB 3.46Å; E996-F999 PolarHBondContact O-N 3.06Å; E996-W1000 PolarHBondContact O-N 3.13Å; E996-W1000 PolarHBondContact OE1-NE1 3.39Å; E996-W1000 VanDerWaalsContact OE1-NE1 3.08Å
997	P	79.3	Confident	80.5	Confident	91 Å²	91	67.4 Å²	67.4	59%	0.591	36%	0.355	S	S	*	.	H	α-helix	trans	-60.5	-36	176.4	-24.1	35.2	0	0	0	113	W1000 Q1001	P997-W1000 PolarHBondContact O-N 3.09Å; P997-Q1001 PolarHBondContact O-N 2.99Å; P997-Q1001 VanDerWaalsContact O-N 3.13Å
998	W	79.8	Confident	80.1	Confident	173 Å²	173	72 Å²	72	66%	0.655	38%	0.375	S	S	*	.	H	α-helix	trans	-70.8	-37.4	178.9	-173	84.8	0	0	0	112	A995 E996 Q1001 N1002	A995-W998 PolarHBondContact O-N 3.17Å; E996-W998 VanDerWaalsContact C-N 3.26Å; E996-W998 PolarHBondContact O-N 3.14Å; W998-Q1001 PolarHBondContact O-N 3Å; W998-N1002 WeakPolarHBondContact O-CB 3.44Å; W998-N1002 PolarHBondContact O-N 3.44Å
999	F	87.1	Confident	79.5	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.018	37%	0.368	C	S	.	.	H	α-helix	trans	-57.1	-50.3	171.9	167.5	-89.4	0	0	0	111.6	L963 V987 E988 W989 P990 A995 E996 Q1001 N1002 L1003	L963-F999 HydrophobicContact CD1-CZ 3.87Å; L963-F999 HydrophobicContact CD2-CZ 4.43Å; L963-F999 HydrophobicContact CG-CE2 4.48Å; L963-F999 HydrophobicContact CG-CZ 4.05Å; V987-F999 HydrophobicContact CB-CE2 4.37Å; V987-F999 HydrophobicContact CG1-CD2 3.7Å; V987-F999 HydrophobicContact CG1-CE2 3.43Å; V987-F999 VanDerWaalsContact CG1-CE2 3.43Å; V987-F999 HydrophobicContact CG1-CZ 4.3Å; E988-F999 WeakPolarHBondContact O-CD2 3.48Å; W989-F999 AromaticContact CE3-CD1 3.6Å; W989-F999 HydrophobicContact CE3-CD1 3.6Å; W989-F999 HydrophobicContact CE3-CD2 4.19Å; W989-F999 AromaticContact CE3-CE1 3.38Å; W989-F999 HydrophobicContact CE3-CE1 3.38Å; W989-F999 AromaticContact CE3-CE2 3.94Å; W989-F999 HydrophobicContact CE3-CE2 3.94Å; W989-F999 HydrophobicContact CE3-CG 4.03Å; W989-F999 AromaticContact CE3-CZ 3.55Å; W989-F999 HydrophobicContact CE3-CZ 3.55Å; W989-F999 HydrophobicContact CH2-CD1 4.46Å; W989-F999 AromaticContact CZ3-CD1 3.37Å; W989-F999 HydrophobicContact CZ3-CD1 3.37Å; W989-F999 AromaticContact CZ3-CE1 3.28Å; W989-F999 HydrophobicContact CZ3-CE1 3.28Å; W989-F999 HydrophobicContact CZ3-CG 4.17Å; W989-F999 AromaticContact CZ3-CZ 3.96Å; W989-F999 HydrophobicContact CZ3-CZ 3.96Å; P990-F999 HydrophobicContact CG-CB 4.09Å; A995-F999 PolarHBondContact O-N 3.25Å; A995-F999 VanDerWaalsContact O-N 3.15Å; E996-F999 WeakPolarHBondContact O-CB 3.46Å; E996-F999 PolarHBondContact O-N 3.06Å; F999-Q1001 VanDerWaalsContact C-N 3.32Å; F999-Q1001 PolarHBondContact O-N 3.26Å; F999-N1002 PolarHBondContact O-N 3.05Å; F999-L1003 HydrophobicContact CE1-CD2 4.06Å; F999-L1003 HydrophobicContact CZ-CD2 4.1Å; F999-L1003 PolarHBondContact O-N 3Å
1000	W	85.8	Confident	78.4	Confident	13 Å²	13	71.9 Å²	71.9	5%	0.049	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-37.7	-178.4	-69.4	119.2	0	0	0	112.1	W881 N885 L886 K889 W989 E996 P997 L1003 R1004	W881-W1000 HydrophobicContact CH2-CH2 4.12Å; W881-W1000 AromaticContact CZ2-CH2 3.9Å; W881-W1000 HydrophobicContact CZ2-CH2 3.9Å; W881-W1000 HydrophobicContact CZ2-CZ2 4.24Å; N885-W1000 HydrophobicContact CB-CZ2 4.44Å; L886-W1000 HydrophobicContact CB-CH2 4.42Å; L886-W1000 HydrophobicContact CD1-CH2 4.15Å; L886-W1000 HydrophobicContact CD1-CZ3 3.82Å; K889-W1000 HydrophobicContact CB-CD2 3.88Å; K889-W1000 HydrophobicContact CB-CE3 3.64Å; K889-W1000 HydrophobicContact CB-CH2 4.1Å; K889-W1000 HydrophobicContact CB-CZ2 4.29Å; K889-W1000 HydrophobicContact CB-CZ3 3.76Å; K889-W1000 HydrophobicContact CD-CD2 4.42Å; K889-W1000 HydrophobicContact CD-CG 4.48Å; K889-W1000 HydrophobicContact CG-CD2 3.91Å; K889-W1000 HydrophobicContact CG-CE3 4.17Å; K889-W1000 HydrophobicContact CG-CG 4.46Å; K889-W1000 HydrophobicContact CG-CH2 4.2Å; K889-W1000 HydrophobicContact CG-CZ2 3.91Å; K889-W1000 HydrophobicContact CG-CZ3 4.3Å; W989-W1000 AromaticContact CH2-CE2 3.87Å; W989-W1000 HydrophobicContact CH2-CH2 4.5Å; W989-W1000 AromaticContact CH2-CZ2 3.55Å; W989-W1000 HydrophobicContact CH2-CZ2 3.55Å; W989-W1000 AromaticContact CH2-NE1 3.87Å; W989-W1000 AromaticContact CZ3-CE2 3.74Å; W989-W1000 HydrophobicContact CZ3-CH2 4.02Å; W989-W1000 AromaticContact CZ3-CZ2 3.41Å; W989-W1000 HydrophobicContact CZ3-CZ2 3.41Å; W989-W1000 VanDerWaalsContact CZ3-CZ2 3.41Å; E996-W1000 PolarHBondContact O-N 3.13Å; E996-W1000 PolarHBondContact OE1-NE1 3.39Å; E996-W1000 VanDerWaalsContact OE1-NE1 3.08Å; P997-W1000 PolarHBondContact O-N 3.09Å; W1000-L1003 HydrophobicContact CE3-CD2 4.18Å; W1000-L1003 HydrophobicContact CZ3-CD2 4Å; W1000-R1004 VanDerWaalsContact O-CG 3.3Å; W1000-R1004 WeakPolarHBondContact O-CG 3.49Å; W1000-R1004 PolarHBondContact O-N 3.2Å; W1000-R1004 VanDerWaalsContact O-N 3.11Å
1001	Q	80.6	Confident	77.4	Confident	140 Å²	140	71.3 Å²	71.3	65%	0.654	38%	0.379	S	S	*	.	H	α-helix	trans	-65.8	-42	174.6	-168.9	175.3	6.6	0	0	112.1	P997 W998 F999 S1005	P997-Q1001 PolarHBondContact O-N 2.99Å; P997-Q1001 VanDerWaalsContact O-N 3.13Å; W998-Q1001 PolarHBondContact O-N 3Å; F999-Q1001 VanDerWaalsContact C-N 3.32Å; F999-Q1001 PolarHBondContact O-N 3.26Å; Q1001-S1005 PolarHBondContact O-N 2.89Å
1002	N	82	Confident	76.4	Confident	51 Å²	51	67.1 Å²	67.1	27%	0.273	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-47.6	177.9	-168.8	16.3	0	0	0	111.3	W998 F999 R1004 S1005 V1006	W998-N1002 WeakPolarHBondContact O-CB 3.44Å; W998-N1002 PolarHBondContact O-N 3.44Å; F999-N1002 PolarHBondContact O-N 3.05Å; N1002-R1004 VanDerWaalsContact C-N 3.35Å; N1002-R1004 PolarHBondContact O-N 3.23Å; N1002-S1005 WeakPolarHBondContact O-CB 3.24Å; N1002-S1005 PolarHBondContact O-N 2.84Å; N1002-S1005 VanDerWaalsContact O-N 3.09Å; N1002-V1006 VanDerWaalsContact O-CG2 3.26Å; N1002-V1006 WeakPolarHBondContact O-CG2 3.31Å; N1002-V1006 PolarHBondContact O-N 3.25Å
1003	L	84.9	Confident	75.6	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.3	-44.7	178	-175.3	63.6	0	0	0	111.9	L886 L890 L928 L963 V987 F999 W1000 S1005 V1006 V1007	L886-L1003 HydrophobicContact CD1-CD2 3.82Å; L890-L1003 HydrophobicContact CD1-CD2 4.14Å; L890-L1003 HydrophobicContact CD2-CD2 4.47Å; L928-L1003 HydrophobicContact CD1-CD1 4.08Å; L963-L1003 HydrophobicContact CD1-CD1 4.15Å; L963-L1003 HydrophobicContact CD1-CD2 3.77Å; V987-L1003 HydrophobicContact CB-CD1 4.45Å; V987-L1003 HydrophobicContact CG2-CD1 4.12Å; F999-L1003 HydrophobicContact CE1-CD2 4.06Å; F999-L1003 HydrophobicContact CZ-CD2 4.1Å; F999-L1003 PolarHBondContact O-N 3Å; W1000-L1003 HydrophobicContact CE3-CD2 4.18Å; W1000-L1003 HydrophobicContact CZ3-CD2 4Å; L1003-S1005 VanDerWaalsContact C-N 3.33Å; L1003-S1005 PolarHBondContact O-N 3.3Å; L1003-V1006 PolarHBondContact O-N 3.06Å; L1003-V1007 VanDerWaalsContact O-CG2 3.3Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.47Å; L1003-V1007 PolarHBondContact O-N 2.76Å; L1003-V1007 VanDerWaalsContact O-N 3.14Å
1004	R	82.3	Confident	74.5	Confident	57 Å²	57	66.5 Å²	66.5	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-39.1	175.5	-73.1	174.9	-173.6	175	3.8	112.4	K889 L890 E893 W1000 N1002 K1008	K889-R1004 PolarHBondContact O-NE 2.65Å; K889-R1004 PolarHBondContact O-NH2 3.04Å; L890-R1004 HydrophobicContact CD2-CG 3.53Å; E893-R1004 VanDerWaalsContact O-CZ 3.31Å; E893-R1004 PolarHBondContact O-NH1 3.31Å; E893-R1004 VanDerWaalsContact O-NH1 3.15Å; E893-R1004 PolarHBondContact O-NH2 2.99Å; W1000-R1004 VanDerWaalsContact O-CG 3.3Å; W1000-R1004 WeakPolarHBondContact O-CG 3.49Å; W1000-R1004 PolarHBondContact O-N 3.2Å; W1000-R1004 VanDerWaalsContact O-N 3.11Å; N1002-R1004 VanDerWaalsContact C-N 3.35Å; N1002-R1004 PolarHBondContact O-N 3.23Å; R1004-K1008 WeakPolarHBondContact O-CB 3.37Å; R1004-K1008 VanDerWaalsContact O-CG 3.29Å; R1004-K1008 WeakPolarHBondContact O-CG 3.15Å; R1004-K1008 PolarHBondContact O-N 3.45Å
1005	S	77.2	Confident	73.5	Confident	69 Å²	69	64.2 Å²	64.2	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-42.2	177.4	-175.3	0	0	0	0	111.7	Q1001 N1002 L1003 V1007 K1008 V1009	Q1001-S1005 PolarHBondContact O-N 2.89Å; N1002-S1005 WeakPolarHBondContact O-CB 3.24Å; N1002-S1005 PolarHBondContact O-N 2.84Å; N1002-S1005 VanDerWaalsContact O-N 3.09Å; L1003-S1005 VanDerWaalsContact C-N 3.33Å; L1003-S1005 PolarHBondContact O-N 3.3Å; S1005-V1007 VanDerWaalsContact C-N 3.35Å; S1005-K1008 PolarHBondContact O-N 3.27Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.41Å; S1005-V1009 PolarHBondContact O-N 2.85Å
1006	V	79.4	Confident	72.3	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-66	-40.2	-177.2	170	0	0	0	0	111.5	V961 K984 V987 N1002 L1003 M1014	V961-V1006 HydrophobicContact CG1-CG1 3.9Å; V961-V1006 HydrophobicContact CG2-CG1 4.13Å; K984-V1006 HydrophobicContact CB-CG2 4.39Å; K984-V1006 VanDerWaalsContact O-CG1 3.27Å; K984-V1006 WeakPolarHBondContact O-CG1 3.33Å; K984-V1006 WeakPolarHBondContact O-CG2 3.48Å; V987-V1006 HydrophobicContact CG2-CG2 4.43Å; N1002-V1006 VanDerWaalsContact O-CG2 3.26Å; N1002-V1006 WeakPolarHBondContact O-CG2 3.31Å; N1002-V1006 PolarHBondContact O-N 3.25Å; L1003-V1006 PolarHBondContact O-N 3.06Å; V1006-M1014 HydrophobicContact CG1-CE 4.12Å
1007	V	76.9	Confident	70.9	Confident	9 Å²	9	71.8 Å²	71.8	6%	0.055	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-37.4	177.8	169.9	0	0	0	0	112.1	I867 L898 L1003 S1005 V1009	I867-V1007 HydrophobicContact CD1-CB 4.07Å; I867-V1007 HydrophobicContact CD1-CG1 3.42Å; I867-V1007 VanDerWaalsContact CD1-CG1 3.42Å; I867-V1007 HydrophobicContact CD1-CG2 3.56Å; I867-V1007 HydrophobicContact CG1-CB 4.49Å; I867-V1007 HydrophobicContact CG1-CG1 3.43Å; I867-V1007 VanDerWaalsContact CG1-CG1 3.43Å; I867-V1007 HydrophobicContact CG1-CG2 4.27Å; L898-V1007 HydrophobicContact CD1-CG1 4.04Å; L1003-V1007 VanDerWaalsContact O-CG2 3.3Å; L1003-V1007 WeakPolarHBondContact O-CG2 3.47Å; L1003-V1007 PolarHBondContact O-N 2.76Å; L1003-V1007 VanDerWaalsContact O-N 3.14Å; S1005-V1007 VanDerWaalsContact C-N 3.35Å; V1007-V1009 VanDerWaalsContact C-N 3.34Å; V1007-V1009 PolarHBondContact O-N 3.36Å
1008	K	74.4	Confident	69.5	Low	102 Å²	102	71.9 Å²	71.9	44%	0.443	35%	0.352	S	S	.	.	H	α-helix	trans	-78.4	-13.6	-177	-72.9	177.4	-179.7	-177.1	0	114.1	L898 R1004 S1005	L898-K1008 HydrophobicContact CD2-CG 4.27Å; R1004-K1008 WeakPolarHBondContact O-CB 3.37Å; R1004-K1008 VanDerWaalsContact O-CG 3.29Å; R1004-K1008 WeakPolarHBondContact O-CG 3.15Å; R1004-K1008 PolarHBondContact O-N 3.45Å; S1005-K1008 PolarHBondContact O-N 3.27Å
1009	V	71.2	Confident	68	Low	50 Å²	50	65.3 Å²	65.3	30%	0.303	33%	0.328	S	S	.	.	S	Bend	trans	-74.3	129.2	-179.3	175.4	0	0	0	0	110.1	S1005 V1007 M1014	S1005-V1009 WeakPolarHBondContact O-CG2 3.41Å; S1005-V1009 PolarHBondContact O-N 2.85Å; V1007-V1009 VanDerWaalsContact C-N 3.34Å; V1007-V1009 PolarHBondContact O-N 3.36Å; V1009-M1014 HydrophobicContact CB-CE 4.46Å; V1009-M1014 HydrophobicContact CG1-CG 4.23Å
1010	D	62.4	Low	66.3	Low	112 Å²	112	72.7 Å²	72.7	60%	0.599	36%	0.36	S	S	*	.			trans	-59.9	141	-177.5	-151.3	-10	0	0	0	112.3	Q1012 I1013	D1010-Q1012 PolarHBondContact O-N 3.03Å; D1010-I1013 PolarHBondContact O-N 3.16Å
1011	N	61.9	Low	64.6	Low	17 Å²	17	80.7 Å²	80.7	9%	0.091	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.3	-162.9	-69.1	-12.5	0	0	0	114.6	R925 K926 V957 D958	R925-N1011 PolarHBondContact O-ND2 3.02Å; K926-N1011 VanDerWaalsContact CD-OD1 3.27Å; K926-N1011 WeakPolarHBondContact CD-OD1 2.92Å; K926-N1011 WeakPolarHBondContact CE-OD1 3.29Å; K926-N1011 PolarHBondContact NZ-OD1 3.29Å; V957-N1011 HydrophobicContact CB-CB 4.45Å; V957-N1011 HydrophobicContact CG1-CB 3.29Å; V957-N1011 VanDerWaalsContact CG1-ND2 3.32Å; V957-N1011 WeakPolarHBondContact CG1-ND2 3.4Å; D958-N1011 PolarHBondContact N-O 3.22Å
1012	Q	56.5	Low	63	Low	148 Å²	148	81.7 Å²	81.7	69%	0.692	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-12.3	-176.7	-64.7	-170.6	-9.9	0	0	114.5	D1010	D1010-Q1012 PolarHBondContact O-N 3.03Å
1013	I	54.3	Low	61.3	Low	135 Å²	135	84.7 Å²	84.7	69%	0.692	41%	0.408	S	S	*	.	S	Bend	trans	-104.7	1.2	-166.9	-58.1	176.4	0	0	0	113.3	D1010 Y1015	D1010-I1013 PolarHBondContact O-N 3.16Å; I1013-Y1015 PolarHBondContact O-N 2.01Å
1014	M	51.6	Low	59.5	Low	28 Å²	28	87.9 Å²	87.9	14%	0.138	43%	0.431	C	S	.	.			trans	-85.4	-4.3	-172.4	-100.7	-145.7	-179.7	0	0	116.9	K984 V1006 V1009	K984-M1014 HydrophobicContact CB-CE 3.57Å; K984-M1014 HydrophobicContact CB-SD 4.42Å; V1006-M1014 HydrophobicContact CG1-CE 4.12Å; V1009-M1014 HydrophobicContact CB-CE 4.46Å; V1009-M1014 HydrophobicContact CG1-CG 4.23Å
1015	Y	55.4	Low	57.8	Low	50 Å²	50	90 Å²	90	20%	0.196	45%	0.454	C	S	.	.	S	Bend	trans	-102.6	132.2	-173.9	-70.6	-63.7	0	0	0	113.7	L952 D958 C982 I1013 Y1019	L952-Y1015 HydrophobicContact CD1-CE2 4.01Å; L952-Y1015 WeakPolarHBondContact CD1-OH 3.41Å; L952-Y1015 WeakPolarHBondContact CD2-OH 3Å; D958-Y1015 HydrophobicContact CB-CE2 3.61Å; D958-Y1015 WeakPolarHBondContact CB-OH 3.15Å; D958-Y1015 PolarHBondContact OD2-OH 3.37Å; C982-Y1015 WeakPolarHBondContact SG-CD1 2.9Å; C982-Y1015 WeakPolarHBondContact SG-CE1 3Å; I1013-Y1015 PolarHBondContact O-N 2.01Å; Y1015-Y1019 AromaticContact CD1-CD1 3.29Å; Y1015-Y1019 HydrophobicContact CD1-CD1 3.29Å; Y1015-Y1019 HydrophobicContact CD1-CD2 4.18Å; Y1015-Y1019 AromaticContact CD1-CE1 3.76Å; Y1015-Y1019 HydrophobicContact CD1-CE1 3.76Å; Y1015-Y1019 AromaticContact CD1-CG 3.52Å; Y1015-Y1019 HydrophobicContact CD1-CG 3.52Å; Y1015-Y1019 AromaticContact CD2-CD1 3.89Å; Y1015-Y1019 HydrophobicContact CD2-CD1 3.89Å; Y1015-Y1019 HydrophobicContact CD2-CE1 4.27Å; Y1015-Y1019 AromaticContact CE1-CD1 3.48Å; Y1015-Y1019 HydrophobicContact CE1-CD1 3.48Å; Y1015-Y1019 VanDerWaalsContact CE1-CD1 3.48Å; Y1015-Y1019 HydrophobicContact CE1-CD2 4.32Å; Y1015-Y1019 AromaticContact CE1-CE1 3.39Å; Y1015-Y1019 HydrophobicContact CE1-CE1 3.39Å; Y1015-Y1019 HydrophobicContact CE1-CE2 4.25Å; Y1015-Y1019 AromaticContact CE1-CG 3.95Å; Y1015-Y1019 HydrophobicContact CE1-CG 3.95Å; Y1015-Y1019 AromaticContact CE1-CZ 3.8Å; Y1015-Y1019 HydrophobicContact CE2-CD1 4.03Å; Y1015-Y1019 AromaticContact CE2-CE1 3.93Å; Y1015-Y1019 HydrophobicContact CE2-CE1 3.93Å; Y1015-Y1019 AromaticContact CG-CD1 3.51Å; Y1015-Y1019 HydrophobicContact CG-CD1 3.51Å; Y1015-Y1019 HydrophobicContact CG-CE1 4.19Å; Y1015-Y1019 AromaticContact CG-CG 4Å; Y1015-Y1019 HydrophobicContact CG-CG 4Å; Y1015-Y1019 AromaticContact CZ-CD1 3.86Å; Y1015-Y1019 AromaticContact CZ-CE1 3.49Å; Y1015-Y1019 VanDerWaalsContact CZ-CE1 3.49Å
1016	S	53.3	Low	56	Low	55 Å²	55	99.9 Å²	99.9	39%	0.385	49%	0.488	S	S	.	.			trans	-60	153.6	169.9	81.2	0	0	0	0	110.7	T1018 Y1019	S1016-T1018 PolarHBondContact O-N 2.92Å; S1016-T1018 PolarHBondContact OG-OG1 3.08Å; S1016-Y1019 PolarHBondContact O-N 3.3Å
1017	K	51.7	Low	54.8	Low	200 Å²	200	104.8 Å²	104.8	87%	0.87	51%	0.512	S	S	*	.	H	α-helix	trans	-48.6	-22.9	178.3	-89.6	-177.8	175.3	177.4	0	113.5
1018	T	49.8	Very low	53.6	Low	93 Å²	93	109.8 Å²	109.8	57%	0.571	54%	0.536	S	S	*	.	H	α-helix	trans	-72.1	-32.2	179.4	-27.5	0	0	0	0	113.4	S1016	S1016-T1018 PolarHBondContact O-N 2.92Å; S1016-T1018 PolarHBondContact OG-OG1 3.08Å
1019	Y	50.3	Low	52.5	Low	36 Å²	36	110.2 Å²	110.2	14%	0.141	54%	0.541	C	S	.	.	H	α-helix	trans	-77.1	-39.8	-178.7	-159.8	-103.3	0	0	0	112.4	L981 Y1015 S1016 K1021 F1022 F1023	L981-Y1019 HydrophobicContact CD1-CD2 3.69Å; L981-Y1019 HydrophobicContact CD1-CE2 3.73Å; L981-Y1019 HydrophobicContact CD2-CD2 4.3Å; L981-Y1019 HydrophobicContact CG-CD2 4.47Å; Y1015-Y1019 AromaticContact CD1-CD1 3.29Å; Y1015-Y1019 HydrophobicContact CD1-CD1 3.29Å; Y1015-Y1019 HydrophobicContact CD1-CD2 4.18Å; Y1015-Y1019 AromaticContact CD1-CE1 3.76Å; Y1015-Y1019 HydrophobicContact CD1-CE1 3.76Å; Y1015-Y1019 AromaticContact CD1-CG 3.52Å; Y1015-Y1019 HydrophobicContact CD1-CG 3.52Å; Y1015-Y1019 AromaticContact CD2-CD1 3.89Å; Y1015-Y1019 HydrophobicContact CD2-CD1 3.89Å; Y1015-Y1019 HydrophobicContact CD2-CE1 4.27Å; Y1015-Y1019 AromaticContact CE1-CD1 3.48Å; Y1015-Y1019 HydrophobicContact CE1-CD1 3.48Å; Y1015-Y1019 VanDerWaalsContact CE1-CD1 3.48Å; Y1015-Y1019 HydrophobicContact CE1-CD2 4.32Å; Y1015-Y1019 AromaticContact CE1-CE1 3.39Å; Y1015-Y1019 HydrophobicContact CE1-CE1 3.39Å; Y1015-Y1019 HydrophobicContact CE1-CE2 4.25Å; Y1015-Y1019 AromaticContact CE1-CG 3.95Å; Y1015-Y1019 HydrophobicContact CE1-CG 3.95Å; Y1015-Y1019 AromaticContact CE1-CZ 3.8Å; Y1015-Y1019 HydrophobicContact CE2-CD1 4.03Å; Y1015-Y1019 AromaticContact CE2-CE1 3.93Å; Y1015-Y1019 HydrophobicContact CE2-CE1 3.93Å; Y1015-Y1019 AromaticContact CG-CD1 3.51Å; Y1015-Y1019 HydrophobicContact CG-CD1 3.51Å; Y1015-Y1019 HydrophobicContact CG-CE1 4.19Å; Y1015-Y1019 AromaticContact CG-CG 4Å; Y1015-Y1019 HydrophobicContact CG-CG 4Å; Y1015-Y1019 AromaticContact CZ-CD1 3.86Å; Y1015-Y1019 AromaticContact CZ-CE1 3.49Å; Y1015-Y1019 VanDerWaalsContact CZ-CE1 3.49Å; S1016-Y1019 PolarHBondContact O-N 3.3Å; Y1019-K1021 PolarHBondContact O-N 3.23Å; Y1019-K1021 VanDerWaalsContact O-N 3.11Å; Y1019-F1022 PolarHBondContact O-N 2.66Å; Y1019-F1022 VanDerWaalsContact O-N 3.09Å; Y1019-F1023 HydrophobicContact CD2-CD2 4.32Å; Y1019-F1023 HydrophobicContact CD2-CE2 4.45Å; Y1019-F1023 HydrophobicContact CE1-CD2 4.19Å; Y1019-F1023 AromaticContact CE2-CD2 3.96Å; Y1019-F1023 HydrophobicContact CE2-CD2 3.96Å; Y1019-F1023 AromaticContact CE2-CE2 3.89Å; Y1019-F1023 HydrophobicContact CE2-CE2 3.89Å; Y1019-F1023 AromaticContact CZ-CD2 3.9Å; Y1019-F1023 PolarHBondContact O-N 2.87Å
1020	K	49.3	Very low	51.4	Low	158 Å²	158	113.8 Å²	113.8	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-57.8	-28.1	176	-130.8	176.4	-174.1	176.7	0	112.1	S1024	K1020-S1024 PolarHBondContact O-OG 2.79Å
1021	K	50.8	Low	50.7	Low	181 Å²	181	113.9 Å²	113.9	79%	0.787	55%	0.552	S	S	*	*	H	α-helix	trans	-77.2	-21	-179.3	-147.3	179.2	-174.7	-176.4	0	114.3	Y1019	Y1019-K1021 PolarHBondContact O-N 3.23Å; Y1019-K1021 VanDerWaalsContact O-N 3.11Å
1022	F	46.7	Very low	50	Low	161 Å²	161	120.3 Å²	120.3	71%	0.706	58%	0.583	S	S	*	*	H	α-helix	trans	-99.7	-27.9	-175	-102.1	-82.8	0	0	0	114.4	Y1019	Y1019-F1022 PolarHBondContact O-N 2.66Å; Y1019-F1022 VanDerWaalsContact O-N 3.09Å
1023	F	47.8	Very low	49.5	Very low	115 Å²	115	118.4 Å²	118.4	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-121.3	-7.9	-170.2	-69.7	-78.2	0	0	0	115.5	L953 Y1019	L953-F1023 HydrophobicContact CD2-CD1 4.33Å; Y1019-F1023 HydrophobicContact CD2-CD2 4.32Å; Y1019-F1023 HydrophobicContact CD2-CE2 4.45Å; Y1019-F1023 HydrophobicContact CE1-CD2 4.19Å; Y1019-F1023 AromaticContact CE2-CD2 3.96Å; Y1019-F1023 HydrophobicContact CE2-CD2 3.96Å; Y1019-F1023 AromaticContact CE2-CE2 3.89Å; Y1019-F1023 HydrophobicContact CE2-CE2 3.89Å; Y1019-F1023 AromaticContact CZ-CD2 3.9Å; Y1019-F1023 PolarHBondContact O-N 2.87Å
1024	S	45.8	Very low	49.1	Very low	67 Å²	67	117.1 Å²	117.1	47%	0.469	57%	0.566	S	S	.	*			trans	-98.9	11.3	177.8	72.7	0	0	0	0	115	K1020 K1026	K1020-S1024 PolarHBondContact O-OG 2.79Å; S1024-K1026 VanDerWaalsContact C-N 3.32Å; S1024-K1026 PolarHBondContact O-N 3.34Å
1025	S	46.4	Very low	48.9	Very low	100 Å²	100	124.5 Å²	124.5	70%	0.699	60%	0.602	S	S	*	*			trans	-89.5	74.4	167.2	70.6	0	0	0	0	110.6
1026	K	39.5	Very low	48.3	Very low	278 Å²	278	131.3 Å²	131.3	100%	1.209	64%	0.639	S	S	*	*			trans	-159.8	0	138.6	-111	179.2	-176.3	-177	0	110	S1024	S1024-K1026 VanDerWaalsContact C-N 3.32Å; S1024-K1026 PolarHBondContact O-N 3.34Å

Retrieved 1,026 of 1,026 residues in 2511.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).