A0A087XN43_POEFO Loading...

Corin, serine peptidase

AlphaFold DB , UniProt , Accession A0A087XN43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 818 aa.

						>A0A087XN43_POEFO|A0A087XN43
CQLVLEPQCHMLPYNQTWLSSSVAVVKSSEVDMLLRFFSYLSRLSCYRHILLFGCSLALPECLEADGTDSRKVVLPCASFCEAAREGCEPVLQMFNASWPDFLRCSQFSKNASSPSSPMATSGLTPPACFSPRQIKGKPSVCGGKDNFLCASGICVPQKLVCNGYNDCDDWSDETHCECPDEEFRCNTGRCLSPVLVCDGYDDCGDLSDELNCGEDLSREHRCGDGRCVSRDWICDGDHDCLDKSDETNCSCRSQGLLECRNGQCVPSAFRCDGEDDCKDGSDEEHCSREQNPGGCLPAQPGCSSSSCPACGAGTVACDPRSNNCSRCEPITLELCMNLPYNQTSFPNFLGHLSQRESSVSWESSLFPALVQTGCYQYLMFYACTLLVPKCDPLSLQKVPPCRSLCRIAKEKCESVLGIVGLQWPEDSDCSQFPEDGGNSTCLLPEDGVDECSPSHFKCRSGRCVLATKRCDGHLDCDDHSDEDNCAGCSERALWECPGSTLCIKPSMICDGFPDCPLQVDEANCSVCRDNELACNNHQCVHRTLWCDGRRHCSDSSDEWNCGTVTVSLSDRSGSVLTVFKTAAEYQVCADEWNPELSRLTCEQLGLGAPSSVSMVPDQPGAPGRRRWLHVHPEWNLRNGSALQARLEKRSHACHSRRRVSVRCSRAECGLRPALRPHRKKRILGGRVSRRGAWPWQCSLQSGQSGHVCGCVLIARRWALTVAHCFEGRENAELWKVVLGLTNLDHPGAHSQTRSVRSIVVHPRYNRAVVDYDISVVQLDSEVEETAHVRPVCLPRPGQLPTPDSYCYITGWGHMGNR
					

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(Predicted Aligned Error values between residue pairs)

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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	C	65.9	Low	65.2	Low	45 Å²	45	84.3 Å²	84.3	30%	0.304	44%	0.436	S	S	.	.				0	156.1	0	-44.6	0	0	0	0	109.2	Q16 T17 C62	C1-Q16 HydrophobicContact CB-CB 3.73Å; C1-Q16 HydrophobicContact CB-CG 4.32Å; C1-T17 CarbonylContact C-O 3.58Å; C1-T17 WeakPolarHBondContact CA-O 3.03Å; C1-T17 WeakPolarHBondContact CB-O 3.41Å; C1-C62 VanDerWaalsContact CA-SG 3.59Å; C1-C62 HydrophobicContact CB-CB 3.56Å; C1-C62 WeakPolarHBondContact CB-SG 2.89Å; C1-C62 WeakPolarHBondContact SG-CB 3.48Å; C1-C62 CovalentContact SG-SG 2.03Å; C1-C62 PolarHBondContact SG-SG 3.24Å
2	Q	68.4	Low	65.3	Low	112 Å²	112	78.2 Å²	78.2	52%	0.523	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	155.3	174.4	-70.8	177.9	-16.6	0	0	109.9	Q16 T17	Q2-Q16 CarbonylContact O-C 3.53Å; Q2-Q16 VanDerWaalsContact O-CA 3.27Å; Q2-Q16 WeakPolarHBondContact O-CA 3.43Å; Q2-T17 PolarHBondContact N-O 3.09Å; Q2-T17 PolarHBondContact O-N 2.55Å; Q2-T17 PolarHBondContact O-OG1 3.29Å
3	L	66.4	Low	65	Low	120 Å²	120	79 Å²	79	63%	0.628	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	141.5	174.7	-75.9	164.7	0	0	0	110.7	L5 N15	L3-L5 PolarHBondContact O-N 3.4Å; L3-N15 WeakPolarHBondContact CA-O 3.48Å; L3-N15 HydrophobicContact CD2-CB 4.49Å
4	V	66.3	Low	65.1	Low	23 Å²	23	74.7 Å²	74.7	14%	0.139	39%	0.393	C	S	.	.			trans	-66.9	115.2	168.6	177.9	0	0	0	0	108.5	C9 N15 T17 L59	V4-C9 HydrophobicContact CG1-CB 4.5Å; V4-N15 PolarHBondContact N-O 3.32Å; V4-N15 VanDerWaalsContact N-O 3.08Å; V4-T17 HydrophobicContact CG2-CG2 3.39Å; V4-L59 HydrophobicContact CG1-CD1 3.9Å
5	L	63.4	Low	65.4	Low	156 Å²	156	77.7 Å²	77.7	82%	0.817	41%	0.409	S	S	*	.			trans	-104.8	-7.1	178.1	-68.8	167.3	0	0	0	112.9	L3 P7	L3-L5 PolarHBondContact O-N 3.4Å; L5-P7 WeakPolarHBondContact O-CD 3.43Å
6	E	68.4	Low	65.6	Low	64 Å²	64	79.1 Å²	79.1	30%	0.299	41%	0.413	S	S	.	.			trans	-85.9	115.7	-174.3	-163	59.4	-136.1	0	0	111.1	Q8 C9 H10 L35 L59	E6-Q8 PolarHBondContact O-N 3.47Å; E6-C9 PolarHBondContact O-N 3.44Å; E6-C9 VanDerWaalsContact O-N 3.07Å; E6-H10 PolarHBondContact O-CD2 2.85Å; E6-L35 HydrophobicContact CG-CD1 3.94Å; E6-L59 HydrophobicContact CB-CD1 4.22Å
7	P	65.9	Low	66.1	Low	90 Å²	90	74.6 Å²	74.6	58%	0.584	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-64.2	-27.9	-173.3	24.6	-34.1	0	0	0	112.9	L5 C9	L5-P7 WeakPolarHBondContact O-CD 3.43Å; P7-C9 PolarHBondContact O-N 2.95Å
8	Q	59	Low	66.2	Low	90 Å²	90	74.3 Å²	74.3	42%	0.421	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-68.6	-18.9	178.7	-56.5	-174.1	19.5	0	0	112.9	E6	E6-Q8 PolarHBondContact O-N 3.47Å
9	C	65.4	Low	65.8	Low	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-112.9	15.8	-176.2	-64.7	0	0	0	0	114	V4 E6 P7 M11 L12 L35 C55 L59	V4-C9 HydrophobicContact CG1-CB 4.5Å; E6-C9 PolarHBondContact O-N 3.44Å; E6-C9 VanDerWaalsContact O-N 3.07Å; P7-C9 PolarHBondContact O-N 2.95Å; C9-M11 PolarHBondContact O-N 3.41Å; C9-M11 VanDerWaalsContact O-N 3.1Å; C9-L12 HydrophobicContact CB-CD1 4.13Å; C9-L12 WeakPolarHBondContact O-CG 3.28Å; C9-L12 PolarHBondContact O-N 2.84Å; C9-L35 VanDerWaalsContact SG-CD2 3.59Å; C9-C55 WeakPolarHBondContact CA-SG 3.37Å; C9-C55 HydrophobicContact CB-CB 3.69Å; C9-C55 WeakPolarHBondContact CB-SG 3.48Å; C9-C55 WeakPolarHBondContact SG-CB 3.46Å; C9-C55 CovalentContact SG-SG 2.05Å; C9-C55 PolarHBondContact SG-SG 2.89Å; C9-L59 HydrophobicContact CB-CD1 3.75Å
10	H	66.6	Low	65.2	Low	134 Å²	134	71.6 Å²	71.6	62%	0.62	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.2	172	-77	-168.6	0	0	0	114	E6 L12	E6-H10 PolarHBondContact O-CD2 2.85Å; H10-L12 PolarHBondContact O-N 3.06Å
11	M	61.7	Low	64.3	Low	93 Å²	93	73.7 Å²	73.7	46%	0.458	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.5	173.5	67.5	-172.6	-54.8	0	0	114.1	C9 L51 L52	C9-M11 PolarHBondContact O-N 3.41Å; C9-M11 VanDerWaalsContact O-N 3.1Å; M11-L51 HydrophobicContact SD-CB 4.3Å; M11-L51 HydrophobicContact SD-CD2 4.18Å; M11-L51 HydrophobicContact SD-CG 4.09Å; M11-L52 HydrophobicContact CE-CB 3.64Å; M11-L52 HydrophobicContact CE-CD1 4.07Å; M11-L52 HydrophobicContact CE-CG 4.37Å; M11-L52 HydrophobicContact CG-CD1 4.02Å; M11-L52 HydrophobicContact SD-CB 4.32Å; M11-L52 HydrophobicContact SD-CD1 4.46Å
12	L	66.1	Low	63.3	Low	11 Å²	11	76.4 Å²	76.4	6%	0.058	41%	0.413	C	S	.	.	S	Bend	trans	-71.6	141.6	177	-68	170.7	0	0	0	110.7	C9 H10 Y14 L52 C55 L59	C9-L12 HydrophobicContact CB-CD1 4.13Å; C9-L12 WeakPolarHBondContact O-CG 3.28Å; C9-L12 PolarHBondContact O-N 2.84Å; H10-L12 PolarHBondContact O-N 3.06Å; L12-Y14 HydrophobicContact CB-CE1 4.36Å; L12-Y14 HydrophobicContact CB-CE2 4.3Å; L12-Y14 HydrophobicContact CD1-CE2 3.89Å; L12-Y14 HydrophobicContact CD2-CE1 4.19Å; L12-Y14 PolarHBondContact O-N 2.94Å; L12-Y14 VanDerWaalsContact O-N 3.16Å; L12-L52 HydrophobicContact CD2-CD1 4.05Å; L12-C55 HydrophobicContact CD1-CB 4.17Å; L12-C55 HydrophobicContact CD2-CB 4.13Å; L12-C55 HydrophobicContact CG-CB 4.16Å; L12-L59 HydrophobicContact CD1-CB 4.02Å
13	P	61.7	Low	62.4	Low	89 Å²	89	75 Å²	75	58%	0.578	41%	0.412	S	S	*	.	S	Bend	trans	-76.3	2.8	-178.9	30.2	-32.8	0	0	0	113.8	F130	P13-F130 HydrophobicContact CG-CE2 3.69Å; P13-F130 HydrophobicContact CG-CZ 4.22Å
14	Y	66.8	Low	61.7	Low	19 Å²	19	70.6 Å²	70.6	8%	0.075	39%	0.393	C	S	.	.			trans	-132.4	149.1	-178.1	53.6	-98	0	0	0	110.9	L12 T17 L59 E61 F130	L12-Y14 HydrophobicContact CB-CE1 4.36Å; L12-Y14 HydrophobicContact CB-CE2 4.3Å; L12-Y14 HydrophobicContact CD1-CE2 3.89Å; L12-Y14 HydrophobicContact CD2-CE1 4.19Å; L12-Y14 PolarHBondContact O-N 2.94Å; L12-Y14 VanDerWaalsContact O-N 3.16Å; Y14-T17 HydrophobicContact CE2-CG2 4.09Å; Y14-L59 VanDerWaalsContact CE2-O 3.25Å; Y14-L59 WeakPolarHBondContact CE2-O 3.49Å; Y14-L59 PolarHBondContact OH-O 3.09Å; Y14-E61 HydrophobicContact CD1-CB 3.72Å; Y14-E61 HydrophobicContact CD1-CG 3.77Å; Y14-E61 HydrophobicContact CD2-CB 3.99Å; Y14-E61 HydrophobicContact CD2-CG 4.07Å; Y14-E61 HydrophobicContact CE1-CB 3.69Å; Y14-E61 HydrophobicContact CE1-CG 4.28Å; Y14-E61 HydrophobicContact CE2-CB 3.95Å; Y14-E61 HydrophobicContact CG-CB 3.88Å; Y14-E61 HydrophobicContact CG-CG 3.67Å; Y14-E61 PolarHBondContact OH-N 3.13Å; Y14-F130 HydrophobicContact CE1-CD2 4.49Å; Y14-F130 HydrophobicContact CE1-CE2 4.34Å
15	N	69.1	Low	61.2	Low	119 Å²	119	72.1 Å²	72.1	64%	0.636	40%	0.402	S	S	*	.	S	Bend	trans	-104.3	-2.4	-175	-62.8	-8.2	0	0	0	113.1	L3 V4	L3-N15 WeakPolarHBondContact CA-O 3.48Å; L3-N15 HydrophobicContact CD2-CB 4.49Å; V4-N15 PolarHBondContact N-O 3.32Å; V4-N15 VanDerWaalsContact N-O 3.08Å
16	Q	69.2	Low	60.9	Low	101 Å²	101	65.3 Å²	65.3	47%	0.472	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.6	-172.6	-69.6	-168.6	11.6	0	0	112.4	C1 Q2 C62	C1-Q16 HydrophobicContact CB-CB 3.73Å; C1-Q16 HydrophobicContact CB-CG 4.32Å; Q2-Q16 CarbonylContact O-C 3.53Å; Q2-Q16 VanDerWaalsContact O-CA 3.27Å; Q2-Q16 WeakPolarHBondContact O-CA 3.43Å; Q16-C62 PolarHBondContact O-N 3Å
17	T	72.8	Confident	60.5	Low	2 Å²	2	68.4 Å²	68.4	1%	0.012	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	169.8	-177.1	58.8	0	0	0	0	112.2	C1 Q2 V4 Y14 L59 P60	C1-T17 CarbonylContact C-O 3.58Å; C1-T17 WeakPolarHBondContact CA-O 3.03Å; C1-T17 WeakPolarHBondContact CB-O 3.41Å; Q2-T17 PolarHBondContact N-O 3.09Å; Q2-T17 PolarHBondContact O-N 2.55Å; Q2-T17 PolarHBondContact O-OG1 3.29Å; V4-T17 HydrophobicContact CG2-CG2 3.39Å; Y14-T17 HydrophobicContact CE2-CG2 4.09Å; T17-L59 HydrophobicContact CG2-CB 3.72Å; T17-L59 HydrophobicContact CG2-CD2 4.25Å; T17-L59 HydrophobicContact CG2-CG 4.5Å; T17-P60 WeakPolarHBondContact CA-O 3.46Å
18	W	67.8	Low	60.2	Low	69 Å²	69	68.6 Å²	68.6	26%	0.261	38%	0.383	S	S	.	.			trans	-141.8	113.5	172.6	-176.9	-102.2	0	0	0	111.6	C62 R71	W18-C62 HydrophobicContact CB-CB 3.92Å; W18-R71 VanDerWaalsContact CZ3-NH1 3.29Å
19	L	59.8	Low	60.1	Low	53 Å²	53	69.1 Å²	69.1	28%	0.277	40%	0.396	S	S	.	.			trans	-105.2	91	175.4	-71.5	161.2	0	0	0	108.7	V31 A58 L59	L19-V31 HydrophobicContact CD2-CG2 4.13Å; L19-A58 WeakPolarHBondContact CD2-O 3.2Å; L19-L59 HydrophobicContact CD1-CD2 4.16Å
20	S	52.2	Low	60.1	Low	41 Å²	41	73.2 Å²	73.2	29%	0.287	42%	0.415	S	S	.	.			trans	-126.9	135.9	169.2	-172.3	0	0	0	0	109.8	S22 V23 A24	S20-S22 PolarHBondContact O-N 2.96Å; S20-V23 PolarHBondContact O-N 3.32Å; S20-A24 PolarHBondContact O-N 2.04Å
21	S	47.4	Very low	60.2	Low	116 Å²	116	67.5 Å²	67.5	81%	0.811	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.1	-165	55.2	0	0	0	0	116.1
22	S	45.3	Very low	60.5	Low	102 Å²	102	67.7 Å²	67.7	71%	0.713	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-12.1	-177.8	50.4	0	0	0	0	114.8	S20	S20-S22 PolarHBondContact O-N 2.96Å
23	V	49.2	Very low	60.8	Low	83 Å²	83	74 Å²	74	50%	0.503	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-17.3	-173.5	-176.1	0	0	0	0	113.5	S20 V73	S20-V23 PolarHBondContact O-N 3.32Å; V23-V73 HydrophobicContact CG1-CB 4.07Å; V23-V73 HydrophobicContact CG1-CG2 3.79Å
24	A	52.6	Low	61.3	Low	27 Å²	27	70.3 Å²	70.3	22%	0.223	40%	0.399	C	S	.	.			trans	-82.2	138	177.2	0	0	0	0	0	111.6	S20 V26	S20-A24 PolarHBondContact O-N 2.04Å; A24-V26 WeakPolarHBondContact CB-O 3.38Å; A24-V26 PolarHBondContact O-N 2.86Å
25	V	55.6	Low	61.6	Low	56 Å²	56	69.7 Å²	69.7	34%	0.339	40%	0.397	S	S	.	.	S	Bend	trans	-63.6	-20.2	172.9	178.4	0	0	0	0	111.5	L75	V25-L75 HydrophobicContact CG2-CD1 4.16Å; V25-L75 HydrophobicContact CG2-CD2 4.29Å
26	V	57.3	Low	61.9	Low	12 Å²	12	73 Å²	73	7%	0.073	40%	0.4	C	S	.	.	S	Bend	trans	-128.3	133.2	-172	-174.1	0	0	0	0	108.6	A24 E30 V31 L34	A24-V26 WeakPolarHBondContact CB-O 3.38Å; A24-V26 PolarHBondContact O-N 2.86Å; V26-E30 HydrophobicContact CG1-CB 4Å; V26-V31 HydrophobicContact CG1-CG2 4.41Å; V26-L34 HydrophobicContact CB-CD2 4.35Å; V26-L34 HydrophobicContact CG1-CD2 4.08Å; V26-L34 HydrophobicContact CG2-CD2 3.46Å; V26-L34 VanDerWaalsContact CG2-CD2 3.46Å
27	K	59.9	Low	62.3	Low	130 Å²	130	71 Å²	71	57%	0.565	39%	0.39	S	S	*	.			trans	-69.2	147.8	174.8	-66.9	176.2	-173	161.2	0	109.8	S29 E30	K27-S29 PolarHBondContact O-N 3.28Å; K27-E30 HydrophobicContact CB-CG 4.45Å; K27-E30 PolarHBondContact O-N 3.43Å
28	S	58.6	Low	62.5	Low	94 Å²	94	70.9 Å²	70.9	66%	0.657	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.2	-179.7	74.5	0	0	0	0	113.7	E30	S28-E30 VanDerWaalsContact C-N 3.33Å
29	S	57.6	Low	62.8	Low	100 Å²	100	69 Å²	69	70%	0.699	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.8	175.9	56.3	0	0	0	0	114.6	K27	K27-S29 PolarHBondContact O-N 3.28Å
30	E	65.5	Low	63.4	Low	86 Å²	86	72.7 Å²	72.7	40%	0.402	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	-1.4	-172.9	-67.6	166.9	-172.5	0	0	112.5	V26 K27 S28 D32 M33 L34	V26-E30 HydrophobicContact CG1-CB 4Å; K27-E30 HydrophobicContact CB-CG 4.45Å; K27-E30 PolarHBondContact O-N 3.43Å; S28-E30 VanDerWaalsContact C-N 3.33Å; E30-D32 PolarHBondContact O-N 3.4Å; E30-M33 PolarHBondContact O-N 3.46Å; E30-L34 PolarHBondContact O-N 3.48Å
31	V	68.7	Low	64.3	Low	14 Å²	14	70.8 Å²	70.8	9%	0.085	39%	0.385	C	S	.	.	H	α-helix	trans	-59	-46.5	-179.6	177.4	0	0	0	0	110.9	L19 V26 M33 L34 L35 A58	L19-V31 HydrophobicContact CD2-CG2 4.13Å; V26-V31 HydrophobicContact CG1-CG2 4.41Å; V31-M33 VanDerWaalsContact C-N 3.34Å; V31-M33 PolarHBondContact O-N 3.2Å; V31-L34 PolarHBondContact O-N 3.04Å; V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 HydrophobicContact CG1-CG 4.4Å; V31-L35 WeakPolarHBondContact O-CB 3.13Å; V31-L35 WeakPolarHBondContact O-CG 3.41Å; V31-L35 PolarHBondContact O-N 3.19Å; V31-A58 HydrophobicContact CG1-CB 3.97Å
32	D	66.7	Low	65.5	Low	97 Å²	97	67.5 Å²	67.5	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-63.5	-38.8	179.3	-72.6	-12.6	0	0	0	112.5	E30 R36	E30-D32 PolarHBondContact O-N 3.4Å; D32-R36 WeakPolarHBondContact O-CB 3.37Å; D32-R36 WeakPolarHBondContact O-CG 3.47Å; D32-R36 PolarHBondContact O-N 2.93Å
33	M	72.3	Confident	66.8	Low	145 Å²	145	72.2 Å²	72.2	71%	0.714	36%	0.364	S	S	*	.	H	α-helix	trans	-67	-41	177.8	-172.4	-177.6	-77.2	0	0	110.7	E30 V31 R36 F37	E30-M33 PolarHBondContact O-N 3.46Å; V31-M33 VanDerWaalsContact C-N 3.34Å; V31-M33 PolarHBondContact O-N 3.2Å; M33-R36 PolarHBondContact O-N 2.96Å; M33-F37 WeakPolarHBondContact O-CB 3.48Å; M33-F37 PolarHBondContact O-N 2.66Å
34	L	71.9	Confident	67.8	Low	11 Å²	11	71.4 Å²	71.4	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-68.1	-41.9	177.5	-169.6	73.2	0	0	0	112.3	V26 E30 V31 F37 F38 A58 F102	V26-L34 HydrophobicContact CB-CD2 4.35Å; V26-L34 HydrophobicContact CG1-CD2 4.08Å; V26-L34 HydrophobicContact CG2-CD2 3.46Å; V26-L34 VanDerWaalsContact CG2-CD2 3.46Å; E30-L34 PolarHBondContact O-N 3.48Å; V31-L34 PolarHBondContact O-N 3.04Å; L34-F37 WeakPolarHBondContact O-CB 3.42Å; L34-F37 PolarHBondContact O-N 3.13Å; L34-F38 HydrophobicContact CD1-CD2 4.14Å; L34-F38 HydrophobicContact CD1-CE2 3.62Å; L34-F38 HydrophobicContact CD2-CE2 4.15Å; L34-F38 HydrophobicContact CG-CD2 3.83Å; L34-F38 HydrophobicContact CG-CE2 3.65Å; L34-F38 VanDerWaalsContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CD2 3.01Å; L34-F38 PolarHBondContact O-N 3.4Å; L34-A58 HydrophobicContact CD2-CB 4.44Å; L34-F102 HydrophobicContact CD1-CE2 3.87Å; L34-F102 HydrophobicContact CD1-CZ 4.03Å
35	L	73.9	Confident	68.5	Low	5 Å²	5	75 Å²	75	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-66.2	-38.1	176.1	-70.6	177.6	0	0	0	111.5	E6 C9 V31 F38 S39 A58	E6-L35 HydrophobicContact CG-CD1 3.94Å; C9-L35 VanDerWaalsContact SG-CD2 3.59Å; V31-L35 HydrophobicContact CG1-CD1 3.98Å; V31-L35 HydrophobicContact CG1-CG 4.4Å; V31-L35 WeakPolarHBondContact O-CB 3.13Å; V31-L35 WeakPolarHBondContact O-CG 3.41Å; V31-L35 PolarHBondContact O-N 3.19Å; L35-F38 PolarHBondContact O-N 2.96Å; L35-S39 WeakPolarHBondContact O-CB 3.03Å; L35-S39 PolarHBondContact O-N 3.4Å; L35-A58 HydrophobicContact CD1-CB 4.48Å; L35-A58 HydrophobicContact CD2-CB 3.75Å; L35-A58 HydrophobicContact CG-CB 4.04Å
36	R	75.5	Confident	69.4	Low	188 Å²	188	73.1 Å²	73.1	71%	0.709	37%	0.369	S	S	*	.	H	α-helix	trans	-61.5	-42.2	171.1	-75	173.9	-172.3	-159.6	2.8	112.1	D32 M33 S39 Y40	D32-R36 WeakPolarHBondContact O-CB 3.37Å; D32-R36 WeakPolarHBondContact O-CG 3.47Å; D32-R36 PolarHBondContact O-N 2.93Å; M33-R36 PolarHBondContact O-N 2.96Å; R36-S39 PolarHBondContact O-N 3.32Å; R36-Y40 PolarHBondContact O-N 3.2Å
37	F	78.4	Confident	70.1	Confident	60 Å²	60	75.1 Å²	75.1	26%	0.263	38%	0.376	S	S	.	.	H	α-helix	trans	-60.5	-49.1	175.7	174.3	-102.8	0	0	0	112	M33 L34 Y40 L41 P100	M33-F37 WeakPolarHBondContact O-CB 3.48Å; M33-F37 PolarHBondContact O-N 2.66Å; L34-F37 WeakPolarHBondContact O-CB 3.42Å; L34-F37 PolarHBondContact O-N 3.13Å; F37-Y40 WeakPolarHBondContact O-CB 3.37Å; F37-Y40 PolarHBondContact O-N 3.03Å; F37-L41 HydrophobicContact CD1-CD1 4.17Å; F37-L41 HydrophobicContact CE1-CD1 3.54Å; F37-L41 HydrophobicContact CE1-CG 4.46Å; F37-L41 HydrophobicContact CE2-CD1 4.38Å; F37-L41 HydrophobicContact CZ-CD1 3.66Å; F37-L41 HydrophobicContact CZ-CG 4.34Å; F37-L41 PolarHBondContact O-N 2.65Å; F37-P100 HydrophobicContact CE1-CG 4.22Å; F37-P100 HydrophobicContact CZ-CG 3.97Å
38	F	76.6	Confident	70.4	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-72.4	-27.5	178.4	-73.6	-64.7	0	0	0	113.8	L34 L35 L41 S42 I50 F53 L57 L103	L34-F38 HydrophobicContact CD1-CD2 4.14Å; L34-F38 HydrophobicContact CD1-CE2 3.62Å; L34-F38 HydrophobicContact CD2-CE2 4.15Å; L34-F38 HydrophobicContact CG-CD2 3.83Å; L34-F38 HydrophobicContact CG-CE2 3.65Å; L34-F38 VanDerWaalsContact O-CD2 3.24Å; L34-F38 WeakPolarHBondContact O-CD2 3.01Å; L34-F38 PolarHBondContact O-N 3.4Å; L35-F38 PolarHBondContact O-N 2.96Å; F38-L41 HydrophobicContact CD1-CD1 4.09Å; F38-L41 HydrophobicContact CE1-CD1 4.39Å; F38-L41 PolarHBondContact O-N 2.98Å; F38-S42 WeakPolarHBondContact O-CB 3.27Å; F38-S42 PolarHBondContact O-N 3.03Å; F38-I50 HydrophobicContact CD1-CD1 3.95Å; F38-I50 HydrophobicContact CD1-CG1 3.89Å; F38-I50 HydrophobicContact CE1-CD1 3.96Å; F38-I50 HydrophobicContact CE1-CG1 4.41Å; F38-F53 AromaticContact CE1-CD1 3.89Å; F38-F53 HydrophobicContact CE1-CD1 3.89Å; F38-F53 HydrophobicContact CE1-CE1 4.24Å; F38-F53 AromaticContact CZ-CD1 3.98Å; F38-F53 HydrophobicContact CZ-CD1 3.98Å; F38-F53 HydrophobicContact CZ-CE1 4.05Å; F38-L57 HydrophobicContact CE2-CD1 4.21Å; F38-L57 HydrophobicContact CZ-CD1 4.08Å; F38-L103 HydrophobicContact CE1-CD1 4.45Å; F38-L103 HydrophobicContact CE2-CD1 4.47Å; F38-L103 HydrophobicContact CZ-CD1 3.68Å
39	S	73.4	Confident	71.2	Confident	29 Å²	29	74.5 Å²	74.5	20%	0.203	36%	0.358	C	S	.	.	H	α-helix	trans	-64.5	-40.7	169.7	-176	0	0	0	0	111.3	L35 R36 S42 R43	L35-S39 WeakPolarHBondContact O-CB 3.03Å; L35-S39 PolarHBondContact O-N 3.4Å; R36-S39 PolarHBondContact O-N 3.32Å; S39-S42 WeakPolarHBondContact O-CB 3.46Å; S39-S42 PolarHBondContact O-N 3.47Å; S39-R43 WeakPolarHBondContact O-CG 3.15Å; S39-R43 PolarHBondContact O-N 3.32Å
40	Y	72.6	Confident	72.1	Confident	130 Å²	130	69.8 Å²	69.8	51%	0.51	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-46.4	174.2	-169.4	-100.6	0	0	0	111.9	R36 F37 S42 R43 L44	R36-Y40 PolarHBondContact O-N 3.2Å; F37-Y40 WeakPolarHBondContact O-CB 3.37Å; F37-Y40 PolarHBondContact O-N 3.03Å; Y40-S42 VanDerWaalsContact C-N 3.27Å; Y40-S42 PolarHBondContact O-N 3.39Å; Y40-R43 WeakPolarHBondContact O-CB 3.15Å; Y40-R43 PolarHBondContact O-N 2.98Å; Y40-R43 VanDerWaalsContact O-N 3.11Å; Y40-L44 HydrophobicContact CD1-CD1 3.92Å; Y40-L44 HydrophobicContact CE1-CD1 3.61Å; Y40-L44 HydrophobicContact CE1-CG 4.35Å; Y40-L44 PolarHBondContact O-N 2.8Å
41	L	72.1	Confident	72.7	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-33.9	174.2	-70.9	179.5	0	0	0	113	F37 F38 L44 S45 C46 I50 L92	F37-L41 HydrophobicContact CD1-CD1 4.17Å; F37-L41 HydrophobicContact CE1-CD1 3.54Å; F37-L41 HydrophobicContact CE1-CG 4.46Å; F37-L41 HydrophobicContact CE2-CD1 4.38Å; F37-L41 HydrophobicContact CZ-CD1 3.66Å; F37-L41 HydrophobicContact CZ-CG 4.34Å; F37-L41 PolarHBondContact O-N 2.65Å; F38-L41 HydrophobicContact CD1-CD1 4.09Å; F38-L41 HydrophobicContact CE1-CD1 4.39Å; F38-L41 PolarHBondContact O-N 2.98Å; L41-L44 PolarHBondContact O-N 2.58Å; L41-S45 PolarHBondContact O-N 3.47Å; L41-C46 PolarHBondContact O-SG 3.18Å; L41-I50 HydrophobicContact CB-CG1 4Å; L41-I50 HydrophobicContact CD1-CG1 4.31Å; L41-L92 HydrophobicContact CD2-CD2 4.03Å; L41-L92 HydrophobicContact CD2-CG 4.34Å
42	S	72.6	Confident	73.1	Confident	48 Å²	48	67.3 Å²	67.3	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-36.1	174	-169.9	0	0	0	0	112.4	F38 S39 Y40 L44 S45	F38-S42 WeakPolarHBondContact O-CB 3.27Å; F38-S42 PolarHBondContact O-N 3.03Å; S39-S42 WeakPolarHBondContact O-CB 3.46Å; S39-S42 PolarHBondContact O-N 3.47Å; Y40-S42 VanDerWaalsContact C-N 3.27Å; Y40-S42 PolarHBondContact O-N 3.39Å; S42-L44 VanDerWaalsContact C-N 3.3Å; S42-S45 PolarHBondContact O-N 2.97Å
43	R	71.9	Confident	73.6	Confident	201 Å²	201	62.7 Å²	62.7	76%	0.758	29%	0.289	S	S	*	.	H	α-helix	trans	-68.1	-32.2	175.4	-71.8	176.3	178.3	-169.6	-2.2	112.3	S39 Y40 S45	S39-R43 WeakPolarHBondContact O-CG 3.15Å; S39-R43 PolarHBondContact O-N 3.32Å; Y40-R43 WeakPolarHBondContact O-CB 3.15Å; Y40-R43 PolarHBondContact O-N 2.98Å; Y40-R43 VanDerWaalsContact O-N 3.11Å; R43-S45 PolarHBondContact O-N 3.39Å
44	L	70.9	Confident	74	Confident	65 Å²	65	55.8 Å²	55.8	34%	0.34	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.7	174.1	-63	175.4	0	0	0	113.3	Y40 L41 S42 C46 V91 F95	Y40-L44 HydrophobicContact CD1-CD1 3.92Å; Y40-L44 HydrophobicContact CE1-CD1 3.61Å; Y40-L44 HydrophobicContact CE1-CG 4.35Å; Y40-L44 PolarHBondContact O-N 2.8Å; L41-L44 PolarHBondContact O-N 2.58Å; S42-L44 VanDerWaalsContact C-N 3.3Å; L44-C46 PolarHBondContact O-N 2.9Å; L44-V91 HydrophobicContact CB-CG1 4.23Å; L44-V91 HydrophobicContact CD1-CG1 3.93Å; L44-F95 HydrophobicContact CD1-CE2 4.37Å
45	S	65.8	Low	74.1	Confident	102 Å²	102	55.3 Å²	55.3	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	27.8	176	-59	0	0	0	0	115.2	L41 S42 R43 Y47	L41-S45 PolarHBondContact O-N 3.47Å; S42-S45 PolarHBondContact O-N 2.97Å; R43-S45 PolarHBondContact O-N 3.39Å; S45-Y47 VanDerWaalsContact C-N 3.35Å; S45-Y47 PolarHBondContact O-N 2.85Å
46	C	75.5	Confident	74.2	Confident	18 Å²	18	55.1 Å²	55.1	12%	0.122	25%	0.251	C	S	.	.	S	Bend	trans	-71	-27.8	-174	63.6	0	0	0	0	113.9	L41 L44 G87 C88 V91	L41-C46 PolarHBondContact O-SG 3.18Å; L44-C46 PolarHBondContact O-N 2.9Å; C46-G87 CarbonylContact O-C 3.59Å; C46-G87 VanDerWaalsContact O-C 3.29Å; C46-G87 WeakPolarHBondContact O-CA 3.36Å; C46-C88 HydrophobicContact CB-CB 3.78Å; C46-C88 WeakPolarHBondContact CB-SG 3.07Å; C46-C88 WeakPolarHBondContact SG-CB 3.47Å; C46-C88 CovalentContact SG-SG 2.04Å; C46-C88 PolarHBondContact SG-SG 3.42Å; C46-V91 HydrophobicContact CB-CB 4.2Å; C46-V91 HydrophobicContact CB-CG2 3.77Å
47	Y	71.9	Confident	74.3	Confident	54 Å²	54	46.3 Å²	46.3	21%	0.212	22%	0.218	C	C	.	.			trans	-153.5	129.9	172	176	-118.9	0	0	0	111.6	S45 H49 I50 F80 A83 A84	S45-Y47 VanDerWaalsContact C-N 3.35Å; S45-Y47 PolarHBondContact O-N 2.85Å; Y47-H49 HydrophobicContact CD1-CB 4.31Å; Y47-H49 HydrophobicContact CE1-CB 3.69Å; Y47-H49 PolarHBondContact O-N 3.26Å; Y47-I50 HydrophobicContact CD1-CB 4.19Å; Y47-I50 VanDerWaalsContact O-CB 3.28Å; Y47-I50 WeakPolarHBondContact O-CB 3.47Å; Y47-I50 WeakPolarHBondContact O-CG2 3.44Å; Y47-I50 PolarHBondContact O-N 3.41Å; Y47-F80 HydrophobicContact CE1-CD2 4.28Å; Y47-F80 AromaticContact CE1-CE2 3.79Å; Y47-F80 HydrophobicContact CE1-CE2 3.79Å; Y47-A83 HydrophobicContact CE2-CB 4.19Å; Y47-A84 HydrophobicContact CD1-CB 3.93Å; Y47-A84 HydrophobicContact CE1-CB 4.13Å
48	R	65.5	Low	74	Confident	164 Å²	164	43.5 Å²	43.5	62%	0.619	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.5	-173.1	-174.1	175.4	70	158.8	-0.7	115.2	A151	R48-A151 WeakPolarHBondContact CD-O 3.42Å; R48-A151 PolarHBondContact NH1-O 3.24Å; R48-A151 VanDerWaalsContact NH1-O 3.17Å
49	H	75.1	Confident	73.9	Confident	47 Å²	47	44.1 Å²	44.1	22%	0.218	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	21.3	-177.1	-63.5	-61	0	0	0	112.7	Y47 L51 L52 F53 F80	Y47-H49 HydrophobicContact CD1-CB 4.31Å; Y47-H49 HydrophobicContact CE1-CB 3.69Å; Y47-H49 PolarHBondContact O-N 3.26Å; H49-L51 PolarHBondContact O-N 2.77Å; H49-L52 HydrophobicContact CB-CB 4.29Å; H49-L52 HydrophobicContact CB-CD2 4.46Å; H49-L52 WeakPolarHBondContact O-CB 3.2Å; H49-L52 PolarHBondContact O-N 3.2Å; H49-F53 WeakPolarHBondContact O-CB 3.34Å; H49-F53 PolarHBondContact O-N 3.43Å; H49-F80 HydrophobicContact CB-CE2 3.83Å; H49-F80 HydrophobicContact CB-CZ 4.09Å
50	I	77.4	Confident	74	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-38	-174.8	-165.6	59.6	0	0	0	112.6	F38 L41 Y47 F53 G54 A84 W99	F38-I50 HydrophobicContact CD1-CD1 3.95Å; F38-I50 HydrophobicContact CD1-CG1 3.89Å; F38-I50 HydrophobicContact CE1-CD1 3.96Å; F38-I50 HydrophobicContact CE1-CG1 4.41Å; L41-I50 HydrophobicContact CB-CG1 4Å; L41-I50 HydrophobicContact CD1-CG1 4.31Å; Y47-I50 HydrophobicContact CD1-CB 4.19Å; Y47-I50 VanDerWaalsContact O-CB 3.28Å; Y47-I50 WeakPolarHBondContact O-CB 3.47Å; Y47-I50 WeakPolarHBondContact O-CG2 3.44Å; Y47-I50 PolarHBondContact O-N 3.41Å; I50-F53 HydrophobicContact CD1-CD1 4.41Å; I50-F53 WeakPolarHBondContact O-CB 3.37Å; I50-F53 PolarHBondContact O-N 3.46Å; I50-G54 PolarHBondContact O-N 2.6Å; I50-A84 HydrophobicContact CD1-CB 3.83Å; I50-W99 HydrophobicContact CD1-CH2 4.18Å
51	L	76.9	Confident	74.1	Confident	36 Å²	36	39.2 Å²	39.2	19%	0.188	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-37.5	175.1	-169.6	64.3	0	0	0	111.4	M11 H49 F53 G54 C55	M11-L51 HydrophobicContact SD-CB 4.3Å; M11-L51 HydrophobicContact SD-CD2 4.18Å; M11-L51 HydrophobicContact SD-CG 4.09Å; H49-L51 PolarHBondContact O-N 2.77Å; L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 PolarHBondContact O-N 2.97Å; L51-G54 PolarHBondContact O-N 3.11Å; L51-C55 WeakPolarHBondContact O-CB 3.44Å; L51-C55 PolarHBondContact O-N 3.42Å; L51-C55 PolarHBondContact O-SG 3.33Å
52	L	77.1	Confident	74.1	Confident	12 Å²	12	39.6 Å²	39.6	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-41.7	172.7	-174.7	63.6	0	0	0	111.2	M11 L12 H49 S56 F80 F130 P132	M11-L52 HydrophobicContact CE-CB 3.64Å; M11-L52 HydrophobicContact CE-CD1 4.07Å; M11-L52 HydrophobicContact CE-CG 4.37Å; M11-L52 HydrophobicContact CG-CD1 4.02Å; M11-L52 HydrophobicContact SD-CB 4.32Å; M11-L52 HydrophobicContact SD-CD1 4.46Å; L12-L52 HydrophobicContact CD2-CD1 4.05Å; H49-L52 HydrophobicContact CB-CB 4.29Å; H49-L52 HydrophobicContact CB-CD2 4.46Å; H49-L52 WeakPolarHBondContact O-CB 3.2Å; H49-L52 PolarHBondContact O-N 3.2Å; L52-S56 VanDerWaalsContact O-CB 3.31Å; L52-S56 WeakPolarHBondContact O-CB 3.4Å; L52-S56 PolarHBondContact O-N 2.91Å; L52-S56 PolarHBondContact O-OG 3.08Å; L52-S56 VanDerWaalsContact O-OG 3.11Å; L52-F80 HydrophobicContact CB-CZ 4.46Å; L52-F80 HydrophobicContact CD2-CZ 4.41Å; L52-F80 HydrophobicContact CG-CZ 4.39Å; L52-F130 HydrophobicContact CD1-CE1 4.5Å; L52-F130 HydrophobicContact CD1-CZ 4.35Å; L52-F130 HydrophobicContact CG-CE1 4.26Å; L52-F130 HydrophobicContact CG-CZ 4.49Å; L52-P132 HydrophobicContact CD2-CG 4.33Å
53	F	79.1	Confident	74	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-50.5	174.9	179.4	-107.5	0	0	0	111	F38 H49 I50 L51 C55 S56 L57 P76 F80 C81 A84 W99 F108	F38-F53 AromaticContact CE1-CD1 3.89Å; F38-F53 HydrophobicContact CE1-CD1 3.89Å; F38-F53 HydrophobicContact CE1-CE1 4.24Å; F38-F53 AromaticContact CZ-CD1 3.98Å; F38-F53 HydrophobicContact CZ-CD1 3.98Å; F38-F53 HydrophobicContact CZ-CE1 4.05Å; H49-F53 WeakPolarHBondContact O-CB 3.34Å; H49-F53 PolarHBondContact O-N 3.43Å; I50-F53 HydrophobicContact CD1-CD1 4.41Å; I50-F53 WeakPolarHBondContact O-CB 3.37Å; I50-F53 PolarHBondContact O-N 3.46Å; L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 PolarHBondContact O-N 2.97Å; F53-C55 PolarHBondContact O-N 3.46Å; F53-S56 WeakPolarHBondContact CA-OG 3.43Å; F53-S56 PolarHBondContact O-N 2.75Å; F53-S56 PolarHBondContact O-OG 3.13Å; F53-L57 HydrophobicContact CD1-CD1 3.92Å; F53-L57 HydrophobicContact CE1-CD1 3.45Å; F53-L57 VanDerWaalsContact CE1-CD1 3.45Å; F53-L57 HydrophobicContact CE1-CG 4.48Å; F53-L57 HydrophobicContact CE2-CD1 4.25Å; F53-L57 HydrophobicContact CZ-CD1 3.64Å; F53-L57 HydrophobicContact CZ-CG 4.36Å; F53-L57 WeakPolarHBondContact O-CG 3.44Å; F53-L57 PolarHBondContact O-N 3.13Å; F53-P76 HydrophobicContact CD2-CB 4.07Å; F53-P76 HydrophobicContact CD2-CG 4.35Å; F53-P76 HydrophobicContact CE2-CB 3.78Å; F53-P76 HydrophobicContact CE2-CG 4.23Å; F53-F80 HydrophobicContact CB-CE1 3.81Å; F53-F80 HydrophobicContact CB-CE2 4.21Å; F53-F80 HydrophobicContact CB-CZ 3.61Å; F53-F80 AromaticContact CD2-CD1 3.64Å; F53-F80 HydrophobicContact CD2-CD1 3.64Å; F53-F80 HydrophobicContact CD2-CD2 4.49Å; F53-F80 AromaticContact CD2-CE1 3.73Å; F53-F80 HydrophobicContact CD2-CE1 3.73Å; F53-F80 HydrophobicContact CD2-CG 4.03Å; F53-F80 HydrophobicContact CD2-CZ 4.21Å; F53-F80 HydrophobicContact CE2-CD1 4.43Å; F53-F80 HydrophobicContact CG-CE1 4.27Å; F53-F80 HydrophobicContact CG-CZ 4.41Å; F53-C81 HydrophobicContact CE2-CB 3.81Å; F53-C81 HydrophobicContact CZ-CB 3.73Å; F53-A84 HydrophobicContact CD1-CB 4.14Å; F53-A84 HydrophobicContact CE1-CB 4.39Å; F53-A84 HydrophobicContact CG-CB 4.31Å; F53-W99 HydrophobicContact CE1-CZ2 4.1Å; F53-F108 HydrophobicContact CZ-CE2 4.47Å
54	G	79.1	Confident	73.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-45.9	176.6	0	0	0	0	0	113.5	I50 L51 L57 A58	I50-G54 PolarHBondContact O-N 2.6Å; L51-G54 PolarHBondContact O-N 3.11Å; G54-L57 PolarHBondContact O-N 3.19Å; G54-A58 VanDerWaalsContact O-CB 3.31Å; G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 2.85Å
55	C	75.3	Confident	72.4	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-39.7	175.4	-76.6	0	0	0	0	112.3	C9 L12 L51 F53 L57 A58 L59	C9-C55 WeakPolarHBondContact CA-SG 3.37Å; C9-C55 HydrophobicContact CB-CB 3.69Å; C9-C55 WeakPolarHBondContact CB-SG 3.48Å; C9-C55 WeakPolarHBondContact SG-CB 3.46Å; C9-C55 CovalentContact SG-SG 2.05Å; C9-C55 PolarHBondContact SG-SG 2.89Å; L12-C55 HydrophobicContact CD1-CB 4.17Å; L12-C55 HydrophobicContact CD2-CB 4.13Å; L12-C55 HydrophobicContact CG-CB 4.16Å; L51-C55 WeakPolarHBondContact O-CB 3.44Å; L51-C55 PolarHBondContact O-N 3.42Å; L51-C55 PolarHBondContact O-SG 3.33Å; F53-C55 PolarHBondContact O-N 3.46Å; C55-L57 PolarHBondContact O-N 2.82Å; C55-A58 PolarHBondContact O-N 2.72Å; C55-L59 WeakPolarHBondContact O-CA 3.49Å; C55-L59 WeakPolarHBondContact O-CB 3.03Å; C55-L59 PolarHBondContact O-N 2.7Å
56	S	76	Confident	71.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-68.7	-21.7	176.8	66.5	0	0	0	0	113.9	L52 F53 P76	L52-S56 VanDerWaalsContact O-CB 3.31Å; L52-S56 WeakPolarHBondContact O-CB 3.4Å; L52-S56 PolarHBondContact O-N 2.91Å; L52-S56 PolarHBondContact O-OG 3.08Å; L52-S56 VanDerWaalsContact O-OG 3.11Å; F53-S56 WeakPolarHBondContact CA-OG 3.43Å; F53-S56 PolarHBondContact O-N 2.75Å; F53-S56 PolarHBondContact O-OG 3.13Å; S56-P76 VanDerWaalsContact OG-CG 3.25Å; S56-P76 WeakPolarHBondContact OG-CG 3.42Å
57	L	76.3	Confident	70.4	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-83.8	-44.9	172.4	-72.1	172.1	0	0	0	112.5	F38 F53 G54 C55 L59 P76 L103 F108	F38-L57 HydrophobicContact CE2-CD1 4.21Å; F38-L57 HydrophobicContact CZ-CD1 4.08Å; F53-L57 HydrophobicContact CD1-CD1 3.92Å; F53-L57 HydrophobicContact CE1-CD1 3.45Å; F53-L57 VanDerWaalsContact CE1-CD1 3.45Å; F53-L57 HydrophobicContact CE1-CG 4.48Å; F53-L57 HydrophobicContact CE2-CD1 4.25Å; F53-L57 HydrophobicContact CZ-CD1 3.64Å; F53-L57 HydrophobicContact CZ-CG 4.36Å; F53-L57 WeakPolarHBondContact O-CG 3.44Å; F53-L57 PolarHBondContact O-N 3.13Å; G54-L57 PolarHBondContact O-N 3.19Å; C55-L57 PolarHBondContact O-N 2.82Å; L57-L59 VanDerWaalsContact C-N 3.33Å; L57-P76 HydrophobicContact CD2-CG 3.66Å; L57-P76 HydrophobicContact CG-CG 3.94Å; L57-L103 HydrophobicContact CD1-CD2 3.63Å; L57-F108 HydrophobicContact CD2-CE1 3.63Å; L57-F108 HydrophobicContact CD2-CZ 3.51Å
58	A	73.3	Confident	69.2	Low	1 Å²	1	45.5 Å²	45.5	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-35	-179.2	0	0	0	0	0	111.7	L19 V31 L34 L35 G54 C55	L19-A58 WeakPolarHBondContact CD2-O 3.2Å; V31-A58 HydrophobicContact CG1-CB 3.97Å; L34-A58 HydrophobicContact CD2-CB 4.44Å; L35-A58 HydrophobicContact CD1-CB 4.48Å; L35-A58 HydrophobicContact CD2-CB 3.75Å; L35-A58 HydrophobicContact CG-CB 4.04Å; G54-A58 VanDerWaalsContact O-CB 3.31Å; G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 2.85Å; C55-A58 PolarHBondContact O-N 2.72Å
59	L	74.9	Confident	68.4	Low	13 Å²	13	45.7 Å²	45.7	7%	0.068	27%	0.266	C	S	.	.	S	Bend	trans	-135	73.2	-171.8	-69.1	179	0	0	0	109.8	V4 E6 C9 L12 Y14 T17 L19 C55 L57	V4-L59 HydrophobicContact CG1-CD1 3.9Å; E6-L59 HydrophobicContact CB-CD1 4.22Å; C9-L59 HydrophobicContact CB-CD1 3.75Å; L12-L59 HydrophobicContact CD1-CB 4.02Å; Y14-L59 VanDerWaalsContact CE2-O 3.25Å; Y14-L59 WeakPolarHBondContact CE2-O 3.49Å; Y14-L59 PolarHBondContact OH-O 3.09Å; T17-L59 HydrophobicContact CG2-CB 3.72Å; T17-L59 HydrophobicContact CG2-CD2 4.25Å; T17-L59 HydrophobicContact CG2-CG 4.5Å; L19-L59 HydrophobicContact CD1-CD2 4.16Å; C55-L59 WeakPolarHBondContact O-CA 3.49Å; C55-L59 WeakPolarHBondContact O-CB 3.03Å; C55-L59 PolarHBondContact O-N 2.7Å; L57-L59 VanDerWaalsContact C-N 3.33Å
60	P	74.3	Confident	67.3	Low	2 Å²	2	46.7 Å²	46.7	1%	0.013	28%	0.278	C	S	.	.			trans	-76.2	151.9	-175.8	32.7	-37	0	0	0	112.2	T17 V73 V74 L75	T17-P60 WeakPolarHBondContact CA-O 3.46Å; P60-V73 HydrophobicContact CB-CG1 3.4Å; P60-V73 HydrophobicContact CG-CG1 3.4Å; P60-V74 WeakPolarHBondContact CB-O 2.81Å; P60-L75 HydrophobicContact CB-CD2 4.32Å
61	E	74.4	Confident	66.5	Low	54 Å²	54	52.8 Å²	52.8	25%	0.252	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.7	-179.6	-168.2	176	-174.8	0	0	111.2	Y14 V73 V74	Y14-E61 HydrophobicContact CD1-CB 3.72Å; Y14-E61 HydrophobicContact CD1-CG 3.77Å; Y14-E61 HydrophobicContact CD2-CB 3.99Å; Y14-E61 HydrophobicContact CD2-CG 4.07Å; Y14-E61 HydrophobicContact CE1-CB 3.69Å; Y14-E61 HydrophobicContact CE1-CG 4.28Å; Y14-E61 HydrophobicContact CE2-CB 3.95Å; Y14-E61 HydrophobicContact CG-CB 3.88Å; Y14-E61 HydrophobicContact CG-CG 3.67Å; Y14-E61 PolarHBondContact OH-N 3.13Å; E61-V73 WeakPolarHBondContact O-CA 3.22Å; E61-V74 HydrophobicContact CB-CB 4.2Å; E61-V74 HydrophobicContact CB-CG2 4.49Å; E61-V74 PolarHBondContact O-N 3.37Å
62	C	73.6	Confident	65.9	Low	9 Å²	9	56.9 Å²	56.9	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.8	179.4	175.3	0	0	0	0	110.1	C1 Q16 W18	C1-C62 VanDerWaalsContact CA-SG 3.59Å; C1-C62 HydrophobicContact CB-CB 3.56Å; C1-C62 WeakPolarHBondContact CB-SG 2.89Å; C1-C62 WeakPolarHBondContact SG-CB 3.48Å; C1-C62 CovalentContact SG-SG 2.03Å; C1-C62 PolarHBondContact SG-SG 3.24Å; Q16-C62 PolarHBondContact O-N 3Å; W18-C62 HydrophobicContact CB-CB 3.92Å
63	L	69.4	Low	65.4	Low	60 Å²	60	57.5 Å²	57.5	31%	0.314	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.9	176.2	-64.5	174.7	0	0	0	110.6	K72 V74	L63-K72 PolarHBondContact N-O 2.99Å; L63-K72 PolarHBondContact O-N 3.19Å; L63-V74 HydrophobicContact CD1-CG2 3.64Å; L63-V74 HydrophobicContact CG-CG2 4.18Å
64	E	58.3	Low	65.1	Low	155 Å²	155	57.9 Å²	57.9	72%	0.724	32%	0.324	S	S	*	.			trans	-80	120.3	167.1	-67.3	-170.3	160.4	0	0	108.7
65	A	51.1	Low	64.8	Low	44 Å²	44	60.2 Å²	60.2	36%	0.364	34%	0.336	S	S	.	.			trans	-84.6	127.5	174.8	0	0	0	0	0	109.1	G67	A65-G67 PolarHBondContact O-N 3.13Å
66	D	48.1	Very low	64.8	Low	173 Å²	173	60.3 Å²	60.3	93%	0.925	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	109.9	177.1	-78	-36.3	0	0	0	111.4
67	G	51.9	Low	64.9	Low	83 Å²	83	60.2 Å²	60.2	86%	0.856	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	1.3	159	0	0	0	0	0	118.5	A65	A65-G67 PolarHBondContact O-N 3.13Å
68	T	46.7	Very low	64.9	Low	97 Å²	97	60.2 Å²	60.2	60%	0.595	34%	0.336	S	S	*	.	S	Bend	trans	-134.1	141.2	167.1	52.4	0	0	0	0	110.2	S70	T68-S70 PolarHBondContact O-N 2.82Å; T68-S70 PolarHBondContact OG1-OG 3.25Å
69	D	48.6	Very low	65	Low	168 Å²	168	62.9 Å²	62.9	90%	0.898	36%	0.355	S	S	*	.	S	Bend	trans	-61	17.3	-179.4	-112.8	-18.9	0	0	0	115
70	S	50.8	Low	65.1	Low	67 Å²	67	62.5 Å²	62.5	47%	0.469	35%	0.353	S	S	.	.			trans	-92.2	101.2	177.2	58.4	0	0	0	0	110.8	T68	T68-S70 PolarHBondContact O-N 2.82Å; T68-S70 PolarHBondContact OG1-OG 3.25Å
71	R	61.6	Low	65.3	Low	130 Å²	130	62.4 Å²	62.4	49%	0.491	35%	0.352	S	S	.	.			trans	-76.7	133.7	172.3	-62.2	173.6	-176.2	167.4	3.9	109.9	W18	W18-R71 VanDerWaalsContact CZ3-NH1 3.29Å
72	K	63.5	Low	65.6	Low	122 Å²	122	63.6 Å²	63.6	53%	0.53	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.1	-179.1	-165.2	176.6	-179.8	-175.8	0	110.6	L63	L63-K72 PolarHBondContact N-O 2.99Å; L63-K72 PolarHBondContact O-N 3.19Å
73	V	68.1	Low	65.7	Low	25 Å²	25	64.7 Å²	64.7	15%	0.152	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.9	176.2	-178.1	0	0	0	0	108.7	V23 P60 E61	V23-V73 HydrophobicContact CG1-CB 4.07Å; V23-V73 HydrophobicContact CG1-CG2 3.79Å; P60-V73 HydrophobicContact CB-CG1 3.4Å; P60-V73 HydrophobicContact CG-CG1 3.4Å; E61-V73 WeakPolarHBondContact O-CA 3.22Å
74	V	72.7	Confident	66.1	Low	8 Å²	8	61.8 Å²	61.8	5%	0.048	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.6	176.5	-173.7	0	0	0	0	109.2	P60 E61 L63 F130	P60-V74 WeakPolarHBondContact CB-O 2.81Å; E61-V74 HydrophobicContact CB-CB 4.2Å; E61-V74 HydrophobicContact CB-CG2 4.49Å; E61-V74 PolarHBondContact O-N 3.37Å; L63-V74 HydrophobicContact CD1-CG2 3.64Å; L63-V74 HydrophobicContact CG-CG2 4.18Å; V74-F130 HydrophobicContact CG1-CB 4.26Å
75	L	72.1	Confident	67.1	Low	49 Å²	49	58.9 Å²	58.9	26%	0.257	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-96.6	160.9	176.4	-69.1	173.7	0	0	0	111.5	V25 P60 F108 C129 F130	V25-L75 HydrophobicContact CG2-CD1 4.16Å; V25-L75 HydrophobicContact CG2-CD2 4.29Å; P60-L75 HydrophobicContact CB-CD2 4.32Å; L75-F108 HydrophobicContact CB-CD1 4.23Å; L75-F108 HydrophobicContact CB-CE1 4.41Å; L75-C129 CarbonylContact O-C 3.59Å; L75-C129 VanDerWaalsContact O-CA 3.26Å; L75-C129 WeakPolarHBondContact O-CA 3.42Å; L75-C129 WeakPolarHBondContact O-CB 3.02Å; L75-F130 PolarHBondContact O-N 3.16Å
76	P	74.8	Confident	68.5	Low	1 Å²	1	63.6 Å²	63.6	1%	0.006	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-56.1	148.1	173.6	-28.7	39.9	0	0	0	113.1	F53 S56 L57 F80 F108	F53-P76 HydrophobicContact CD2-CB 4.07Å; F53-P76 HydrophobicContact CD2-CG 4.35Å; F53-P76 HydrophobicContact CE2-CB 3.78Å; F53-P76 HydrophobicContact CE2-CG 4.23Å; S56-P76 VanDerWaalsContact OG-CG 3.25Å; S56-P76 WeakPolarHBondContact OG-CG 3.42Å; L57-P76 HydrophobicContact CD2-CG 3.66Å; L57-P76 HydrophobicContact CG-CG 3.94Å; P76-F80 HydrophobicContact CB-CD1 4.1Å; P76-F108 WeakPolarHBondContact O-CB 3.45Å; P76-F108 WeakPolarHBondContact O-CD1 3.01Å; P76-F108 WeakPolarHBondContact O-CG 3.43Å
77	C	79	Confident	69.7	Low	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-71.4	151.2	174.3	-62	0	0	0	0	112.1	S79 F80 C81 N111 C129 F130	C77-S79 PolarHBondContact O-N 3.02Å; C77-F80 WeakPolarHBondContact O-CB 3.33Å; C77-F80 PolarHBondContact O-N 3.36Å; C77-C81 PolarHBondContact O-N 2.97Å; C77-N111 PolarHBondContact SG-OD1 2.97Å; C77-C129 WeakPolarHBondContact CA-SG 3.26Å; C77-C129 HydrophobicContact CB-CB 3.87Å; C77-C129 WeakPolarHBondContact CB-SG 3.04Å; C77-C129 WeakPolarHBondContact SG-CB 3.19Å; C77-C129 PolarHBondContact SG-O 2.85Å; C77-C129 VanDerWaalsContact SG-O 3.4Å; C77-C129 CovalentContact SG-SG 2.03Å; C77-C129 PolarHBondContact SG-SG 2.72Å; C77-F130 PolarHBondContact N-O 3.37Å; C77-F130 PolarHBondContact SG-O 3.25Å; C77-F130 VanDerWaalsContact SG-O 3.41Å
78	A	76.3	Confident	70.8	Confident	3 Å²	3	52.7 Å²	52.7	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-55.5	-39.7	174.8	0	0	0	0	0	112.6	F80 C81 E82 C105 F108 S109 K110	A78-F80 PolarHBondContact O-N 3.08Å; A78-C81 WeakPolarHBondContact O-CB 2.99Å; A78-C81 PolarHBondContact O-N 2.93Å; A78-E82 WeakPolarHBondContact O-CG 3.47Å; A78-E82 PolarHBondContact O-N 3.25Å; A78-C105 WeakPolarHBondContact CB-O 3.39Å; A78-F108 HydrophobicContact CB-CB 4.02Å; A78-S109 PolarHBondContact N-O 2.88Å; A78-K110 HydrophobicContact CB-CG 4.19Å
79	S	74.5	Confident	72.4	Confident	58 Å²	58	50 Å²	50	41%	0.406	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-26.6	176.6	59.3	0	0	0	0	113.6	C77 A83	C77-S79 PolarHBondContact O-N 3.02Å; S79-A83 PolarHBondContact O-N 2.86Å
80	F	77.6	Confident	73.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-78.9	-37.8	176.7	-173.4	-152.5	0	0	0	110.9	Y47 H49 L52 F53 P76 C77 A78 A84 F130 P132	Y47-F80 HydrophobicContact CE1-CD2 4.28Å; Y47-F80 AromaticContact CE1-CE2 3.79Å; Y47-F80 HydrophobicContact CE1-CE2 3.79Å; H49-F80 HydrophobicContact CB-CE2 3.83Å; H49-F80 HydrophobicContact CB-CZ 4.09Å; L52-F80 HydrophobicContact CB-CZ 4.46Å; L52-F80 HydrophobicContact CD2-CZ 4.41Å; L52-F80 HydrophobicContact CG-CZ 4.39Å; F53-F80 HydrophobicContact CB-CE1 3.81Å; F53-F80 HydrophobicContact CB-CE2 4.21Å; F53-F80 HydrophobicContact CB-CZ 3.61Å; F53-F80 AromaticContact CD2-CD1 3.64Å; F53-F80 HydrophobicContact CD2-CD1 3.64Å; F53-F80 HydrophobicContact CD2-CD2 4.49Å; F53-F80 AromaticContact CD2-CE1 3.73Å; F53-F80 HydrophobicContact CD2-CE1 3.73Å; F53-F80 HydrophobicContact CD2-CG 4.03Å; F53-F80 HydrophobicContact CD2-CZ 4.21Å; F53-F80 HydrophobicContact CE2-CD1 4.43Å; F53-F80 HydrophobicContact CG-CE1 4.27Å; F53-F80 HydrophobicContact CG-CZ 4.41Å; P76-F80 HydrophobicContact CB-CD1 4.1Å; C77-F80 WeakPolarHBondContact O-CB 3.33Å; C77-F80 PolarHBondContact O-N 3.36Å; A78-F80 PolarHBondContact O-N 3.08Å; F80-A84 PolarHBondContact O-N 2.84Å; F80-A84 VanDerWaalsContact O-N 3.15Å; F80-F130 HydrophobicContact CD1-CD1 4.4Å; F80-F130 HydrophobicContact CE1-CD1 4.18Å; F80-F130 HydrophobicContact CE1-CE1 4.11Å; F80-P132 HydrophobicContact CD2-CG 3.94Å; F80-P132 HydrophobicContact CE1-CG 4.34Å; F80-P132 HydrophobicContact CE2-CG 3.55Å; F80-P132 HydrophobicContact CG-CG 4.48Å; F80-P132 HydrophobicContact CZ-CG 3.8Å
81	C	78.7	Confident	74.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-43.5	170.7	178.2	0	0	0	0	112.2	F53 C77 A78 A83 A84 R85 L103 C105 F108	F53-C81 HydrophobicContact CE2-CB 3.81Å; F53-C81 HydrophobicContact CZ-CB 3.73Å; C77-C81 PolarHBondContact O-N 2.97Å; A78-C81 WeakPolarHBondContact O-CB 2.99Å; A78-C81 PolarHBondContact O-N 2.93Å; C81-A83 PolarHBondContact O-N 3.19Å; C81-A84 PolarHBondContact O-N 3Å; C81-R85 WeakPolarHBondContact O-CB 3.23Å; C81-R85 PolarHBondContact O-N 3.47Å; C81-L103 PolarHBondContact SG-O 3.42Å; C81-L103 VanDerWaalsContact SG-O 3.38Å; C81-C105 HydrophobicContact CB-CB 3.66Å; C81-C105 WeakPolarHBondContact CB-SG 3.48Å; C81-C105 PolarHBondContact O-SG 3.47Å; C81-C105 VanDerWaalsContact O-SG 3.4Å; C81-C105 WeakPolarHBondContact SG-CA 3.49Å; C81-C105 WeakPolarHBondContact SG-CB 3.27Å; C81-C105 CovalentContact SG-SG 2.05Å; C81-C105 PolarHBondContact SG-SG 2.02Å; C81-F108 HydrophobicContact CB-CD2 3.76Å; C81-F108 HydrophobicContact CB-CE2 3.99Å
82	E	79.9	Confident	75.3	Confident	79 Å²	79	38.3 Å²	38.3	37%	0.369	21%	0.205	S	C	.	.	H	α-helix	trans	-61.9	-42.3	179.8	-75.3	173	170.1	0	0	111.6	A78 R85 E86 C105	A78-E82 WeakPolarHBondContact O-CG 3.47Å; A78-E82 PolarHBondContact O-N 3.25Å; E82-R85 PolarHBondContact O-N 2.04Å; E82-E86 WeakPolarHBondContact O-CG 3.5Å; E82-E86 PolarHBondContact O-N 3.18Å; E82-C105 HydrophobicContact CG-CB 3.83Å; E82-C105 PolarHBondContact N-SG 2Å
83	A	75.5	Confident	75.9	Confident	32 Å²	32	38.3 Å²	38.3	26%	0.264	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-38.1	175.1	0	0	0	0	0	113	Y47 S79 C81 G87	Y47-A83 HydrophobicContact CE2-CB 4.19Å; S79-A83 PolarHBondContact O-N 2.86Å; C81-A83 PolarHBondContact O-N 3.19Å; A83-G87 PolarHBondContact O-N 2.84Å
84	A	77.6	Confident	75.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-40.7	175.8	0	0	0	0	0	112	Y47 I50 F53 F80 C81 C88 W99	Y47-A84 HydrophobicContact CD1-CB 3.93Å; Y47-A84 HydrophobicContact CE1-CB 4.13Å; I50-A84 HydrophobicContact CD1-CB 3.83Å; F53-A84 HydrophobicContact CD1-CB 4.14Å; F53-A84 HydrophobicContact CE1-CB 4.39Å; F53-A84 HydrophobicContact CG-CB 4.31Å; F80-A84 PolarHBondContact O-N 2.84Å; F80-A84 VanDerWaalsContact O-N 3.15Å; C81-A84 PolarHBondContact O-N 3Å; A84-C88 WeakPolarHBondContact O-CB 3.42Å; A84-C88 PolarHBondContact O-N 2.95Å; A84-C88 VanDerWaalsContact O-N 3.11Å; A84-W99 HydrophobicContact CB-CH2 4.01Å; A84-W99 HydrophobicContact CB-CZ2 4.43Å
85	R	80.8	Confident	75.1	Confident	93 Å²	93	50.3 Å²	50.3	35%	0.351	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-48.3	175.3	-177.2	-171.1	65.4	-175.5	-3.1	111.4	C81 E82 G87 C88 E89 W99	C81-R85 WeakPolarHBondContact O-CB 3.23Å; C81-R85 PolarHBondContact O-N 3.47Å; E82-R85 PolarHBondContact O-N 2.04Å; R85-G87 VanDerWaalsContact C-N 3.27Å; R85-G87 PolarHBondContact O-N 3.24Å; R85-C88 PolarHBondContact O-N 3.41Å; R85-E89 HydrophobicContact CG-CB 4.36Å; R85-E89 WeakPolarHBondContact O-CB 3.4Å; R85-E89 PolarHBondContact O-N 3.08Å; R85-W99 HydrophobicContact CB-CD2 3.98Å; R85-W99 HydrophobicContact CB-CE3 4.29Å; R85-W99 HydrophobicContact CB-CG 4.36Å; R85-W99 HydrophobicContact CB-CZ2 4.32Å; R85-W99 HydrophobicContact CG-CB 4.1Å; R85-W99 HydrophobicContact CG-CD2 3.89Å; R85-W99 HydrophobicContact CG-CE3 4.3Å; R85-W99 HydrophobicContact CG-CG 3.82Å
86	E	78.9	Confident	75	Confident	144 Å²	144	55.9 Å²	55.9	67%	0.673	29%	0.291	S	S	*	.	H	α-helix	trans	-59.8	-36.5	-179.7	-77.3	179.9	176.2	0	0	112.9	E82 P90	E82-E86 WeakPolarHBondContact O-CG 3.5Å; E82-E86 PolarHBondContact O-N 3.18Å; E86-P90 WeakPolarHBondContact O-CD 3.44Å
87	G	74.3	Confident	74.8	Confident	27 Å²	27	57.9 Å²	57.9	28%	0.278	31%	0.308	S	S	.	.	H	α-helix	trans	-74.1	-37.9	176.4	0	0	0	0	0	114.2	C46 A83 R85	C46-G87 CarbonylContact O-C 3.59Å; C46-G87 VanDerWaalsContact O-C 3.29Å; C46-G87 WeakPolarHBondContact O-CA 3.36Å; A83-G87 PolarHBondContact O-N 2.84Å; R85-G87 VanDerWaalsContact C-N 3.27Å; R85-G87 PolarHBondContact O-N 3.24Å
88	C	75.9	Confident	74.8	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-102.5	-15	-170.5	-60.2	0	0	0	0	115.1	C46 A84 R85 V91 L92 W99	C46-C88 HydrophobicContact CB-CB 3.78Å; C46-C88 WeakPolarHBondContact CB-SG 3.07Å; C46-C88 WeakPolarHBondContact SG-CB 3.47Å; C46-C88 CovalentContact SG-SG 2.04Å; C46-C88 PolarHBondContact SG-SG 3.42Å; A84-C88 WeakPolarHBondContact O-CB 3.42Å; A84-C88 PolarHBondContact O-N 2.95Å; A84-C88 VanDerWaalsContact O-N 3.11Å; R85-C88 PolarHBondContact O-N 3.41Å; C88-V91 PolarHBondContact O-N 3.49Å; C88-L92 VanDerWaalsContact O-CG 3.32Å; C88-L92 WeakPolarHBondContact O-CG 3.03Å; C88-L92 PolarHBondContact O-N 3.18Å; C88-W99 HydrophobicContact CB-CZ3 3.87Å
89	E	78.8	Confident	74.8	Confident	39 Å²	39	62.8 Å²	62.8	18%	0.182	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-45.3	176.2	-177.6	67.1	-161.9	0	0	112.9	R85 V91 L92 Q93 W99	R85-E89 HydrophobicContact CG-CB 4.36Å; R85-E89 WeakPolarHBondContact O-CB 3.4Å; R85-E89 PolarHBondContact O-N 3.08Å; E89-V91 VanDerWaalsContact C-N 3.27Å; E89-V91 PolarHBondContact O-N 3.06Å; E89-L92 PolarHBondContact O-N 2.91Å; E89-Q93 VanDerWaalsContact O-CG 3.31Å; E89-Q93 WeakPolarHBondContact O-CG 3.34Å; E89-Q93 PolarHBondContact O-N 2.94Å; E89-Q93 PolarHBondContact OE1-NE2 3.26Å; E89-W99 WeakPolarHBondContact OE2-CA 3.29Å; E89-W99 WeakPolarHBondContact OE2-CB 3.31Å; E89-W99 PolarHBondContact OE2-N 3.28Å
90	P	75.7	Confident	74.9	Confident	73 Å²	73	61.1 Å²	61.1	47%	0.474	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-36.9	177.3	-22.2	34.4	0	0	0	112.5	E86 Q93 M94	E86-P90 WeakPolarHBondContact O-CD 3.44Å; P90-Q93 PolarHBondContact O-N 3.47Å; P90-M94 WeakPolarHBondContact O-CG 3.15Å; P90-M94 PolarHBondContact O-N 3.13Å
91	V	73.5	Confident	74.5	Confident	33 Å²	33	66 Å²	66	20%	0.2	35%	0.353	C	S	.	.	H	α-helix	trans	-69.7	-41.3	178.3	-179.9	0	0	0	0	110.9	L44 C46 C88 E89 Q93 M94 F95	L44-V91 HydrophobicContact CB-CG1 4.23Å; L44-V91 HydrophobicContact CD1-CG1 3.93Å; C46-V91 HydrophobicContact CB-CB 4.2Å; C46-V91 HydrophobicContact CB-CG2 3.77Å; C88-V91 PolarHBondContact O-N 3.49Å; E89-V91 VanDerWaalsContact C-N 3.27Å; E89-V91 PolarHBondContact O-N 3.06Å; V91-Q93 VanDerWaalsContact C-N 3.32Å; V91-Q93 PolarHBondContact O-N 3.29Å; V91-M94 WeakPolarHBondContact O-CB 3.48Å; V91-M94 PolarHBondContact O-N 2.93Å; V91-F95 HydrophobicContact CG1-CE2 4.42Å; V91-F95 VanDerWaalsContact O-CD2 3.23Å; V91-F95 WeakPolarHBondContact O-CD2 3.46Å
92	L	73.8	Confident	74	Confident	15 Å²	15	71 Å²	71	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-36.7	175.5	-73.4	170	0	0	0	112.1	L41 C88 E89 M94 F95 N96 A97 W99	L41-L92 HydrophobicContact CD2-CD2 4.03Å; L41-L92 HydrophobicContact CD2-CG 4.34Å; C88-L92 VanDerWaalsContact O-CG 3.32Å; C88-L92 WeakPolarHBondContact O-CG 3.03Å; C88-L92 PolarHBondContact O-N 3.18Å; E89-L92 PolarHBondContact O-N 2.91Å; L92-M94 VanDerWaalsContact C-N 3.27Å; L92-M94 PolarHBondContact O-N 3.01Å; L92-F95 CarbonylContact O-C 3.55Å; L92-F95 PolarHBondContact O-N 3.35Å; L92-N96 PolarHBondContact O-N 3.15Å; L92-A97 CarbonylContact C-O 3.59Å; L92-A97 HydrophobicContact CB-CB 4.39Å; L92-A97 HydrophobicContact CD2-CB 4.3Å; L92-A97 PolarHBondContact O-N 3.42Å; L92-A97 VanDerWaalsContact O-O 3.05Å; L92-W99 HydrophobicContact CD1-CE3 3.91Å; L92-W99 HydrophobicContact CD1-CZ3 4.47Å
93	Q	75.3	Confident	73.6	Confident	121 Å²	121	67.2 Å²	67.2	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-29.5	176.9	-74.3	177.9	6	0	0	112.8	E89 P90 V91 F95 N96 A97	E89-Q93 VanDerWaalsContact O-CG 3.31Å; E89-Q93 WeakPolarHBondContact O-CG 3.34Å; E89-Q93 PolarHBondContact O-N 2.94Å; E89-Q93 PolarHBondContact OE1-NE2 3.26Å; P90-Q93 PolarHBondContact O-N 3.47Å; V91-Q93 VanDerWaalsContact C-N 3.32Å; V91-Q93 PolarHBondContact O-N 3.29Å; Q93-F95 PolarHBondContact O-N 3.42Å; Q93-N96 PolarHBondContact O-N 3Å; Q93-N96 VanDerWaalsContact O-N 3.14Å; Q93-A97 PolarHBondContact N-O 3.37Å
94	M	64.7	Low	73.5	Confident	158 Å²	158	72.3 Å²	72.3	78%	0.778	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.2	171.9	-65.5	174	74.5	0	0	112.9	P90 V91 L92	P90-M94 WeakPolarHBondContact O-CG 3.15Å; P90-M94 PolarHBondContact O-N 3.13Å; V91-M94 WeakPolarHBondContact O-CB 3.48Å; V91-M94 PolarHBondContact O-N 2.93Å; L92-M94 VanDerWaalsContact C-N 3.27Å; L92-M94 PolarHBondContact O-N 3.01Å
95	F	58.6	Low	73.3	Confident	128 Å²	128	72.5 Å²	72.5	56%	0.561	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	17.6	177	-62.2	-81	0	0	0	113.3	L44 V91 L92 Q93 A97	L44-F95 HydrophobicContact CD1-CE2 4.37Å; V91-F95 HydrophobicContact CG1-CE2 4.42Å; V91-F95 VanDerWaalsContact O-CD2 3.23Å; V91-F95 WeakPolarHBondContact O-CD2 3.46Å; L92-F95 CarbonylContact O-C 3.55Å; L92-F95 PolarHBondContact O-N 3.35Å; Q93-F95 PolarHBondContact O-N 3.42Å; F95-A97 PolarHBondContact O-N 3.3Å
96	N	71.6	Confident	72.8	Confident	166 Å²	166	73.2 Å²	73.2	89%	0.888	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	29.9	-175.7	-159	30.4	0	0	0	113.6	L92 Q93	L92-N96 PolarHBondContact O-N 3.15Å; Q93-N96 PolarHBondContact O-N 3Å; Q93-N96 VanDerWaalsContact O-N 3.14Å
97	A	70	Confident	72.3	Confident	43 Å²	43	71.8 Å²	71.8	36%	0.355	38%	0.384	S	S	.	.			trans	-111.8	156.3	175	0	0	0	0	0	110.2	L92 Q93 F95	L92-A97 CarbonylContact C-O 3.59Å; L92-A97 HydrophobicContact CB-CB 4.39Å; L92-A97 HydrophobicContact CD2-CB 4.3Å; L92-A97 PolarHBondContact O-N 3.42Å; L92-A97 VanDerWaalsContact O-O 3.05Å; Q93-A97 PolarHBondContact N-O 3.37Å; F95-A97 PolarHBondContact O-N 3.3Å
98	S	78.4	Confident	72.2	Confident	85 Å²	85	71.2 Å²	71.2	59%	0.594	37%	0.373	S	S	*	.			trans	-124.3	159.5	176.6	53.3	0	0	0	0	110.6
99	W	77.2	Confident	72	Confident	20 Å²	20	74.2 Å²	74.2	8%	0.076	40%	0.395	C	S	.	.			trans	-50.8	127.4	175.8	-167.4	-103.2	0	0	0	111.1	I50 F53 A84 R85 C88 E89 L92 D101 L103	I50-W99 HydrophobicContact CD1-CH2 4.18Å; F53-W99 HydrophobicContact CE1-CZ2 4.1Å; A84-W99 HydrophobicContact CB-CH2 4.01Å; A84-W99 HydrophobicContact CB-CZ2 4.43Å; R85-W99 HydrophobicContact CB-CD2 3.98Å; R85-W99 HydrophobicContact CB-CE3 4.29Å; R85-W99 HydrophobicContact CB-CG 4.36Å; R85-W99 HydrophobicContact CB-CZ2 4.32Å; R85-W99 HydrophobicContact CG-CB 4.1Å; R85-W99 HydrophobicContact CG-CD2 3.89Å; R85-W99 HydrophobicContact CG-CE3 4.3Å; R85-W99 HydrophobicContact CG-CG 3.82Å; C88-W99 HydrophobicContact CB-CZ3 3.87Å; E89-W99 WeakPolarHBondContact OE2-CA 3.29Å; E89-W99 WeakPolarHBondContact OE2-CB 3.31Å; E89-W99 PolarHBondContact OE2-N 3.28Å; L92-W99 HydrophobicContact CD1-CE3 3.91Å; L92-W99 HydrophobicContact CD1-CZ3 4.47Å; W99-D101 PolarHBondContact O-N 2.78Å; W99-L103 HydrophobicContact CZ2-CB 4.46Å; W99-L103 HydrophobicContact CZ2-CD1 4.27Å; W99-L103 PolarHBondContact NE1-O 3.43Å
100	P	76.3	Confident	71	Confident	24 Å²	24	80.4 Å²	80.4	16%	0.156	42%	0.421	C	S	.	.			trans	-58.5	134.2	-172.2	-24.2	31.6	0	0	0	113.2	F37 F102 L103	F37-P100 HydrophobicContact CE1-CG 4.22Å; F37-P100 HydrophobicContact CZ-CG 3.97Å; P100-F102 HydrophobicContact CB-CD1 3.58Å; P100-F102 HydrophobicContact CB-CE1 3.23Å; P100-F102 HydrophobicContact CB-CG 4.36Å; P100-F102 HydrophobicContact CB-CZ 3.75Å; P100-F102 HydrophobicContact CG-CE1 4.07Å; P100-F102 HydrophobicContact CG-CZ 4.24Å; P100-F102 PolarHBondContact O-N 2.77Å; P100-F102 VanDerWaalsContact O-N 3.13Å; P100-L103 HydrophobicContact CB-CD1 4.34Å; P100-L103 HydrophobicContact CB-CG 4.48Å; P100-L103 HydrophobicContact CG-CD1 4.18Å; P100-L103 PolarHBondContact O-N 2.67Å
101	D	70.2	Confident	69.9	Low	107 Å²	107	80.2 Å²	80.2	57%	0.572	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-61	-25.4	-177.6	-90.9	-42.6	0	0	0	114	W99 L103 R104	W99-D101 PolarHBondContact O-N 2.78Å; D101-L103 PolarHBondContact O-N 3.41Å; D101-R104 WeakPolarHBondContact O-CD 3.13Å; D101-R104 VanDerWaalsContact O-CG 3.24Å; D101-R104 WeakPolarHBondContact O-CG 3.22Å; D101-R104 IonicContact OD1-CZ 2.72Å; D101-R104 VanDerWaalsContact OD1-CZ 3.29Å; D101-R104 IonicContact OD1-NE 3.87Å; D101-R104 PolarHBondContact OD1-NE 3.49Å; D101-R104 IonicContact OD1-NH2 2.81Å; D101-R104 PolarHBondContact OD1-NH2 3.21Å; D101-R104 IonicContact OD2-NH2 3.18Å
102	F	67.8	Low	68.5	Low	104 Å²	104	83.8 Å²	83.8	46%	0.456	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-76	-10.6	175.2	69.2	-94.1	0	0	0	113.3	L34 P100 Q107	L34-F102 HydrophobicContact CD1-CE2 3.87Å; L34-F102 HydrophobicContact CD1-CZ 4.03Å; P100-F102 HydrophobicContact CB-CD1 3.58Å; P100-F102 HydrophobicContact CB-CE1 3.23Å; P100-F102 HydrophobicContact CB-CG 4.36Å; P100-F102 HydrophobicContact CB-CZ 3.75Å; P100-F102 HydrophobicContact CG-CE1 4.07Å; P100-F102 HydrophobicContact CG-CZ 4.24Å; P100-F102 PolarHBondContact O-N 2.77Å; P100-F102 VanDerWaalsContact O-N 3.13Å; F102-Q107 PolarHBondContact O-OE1 2.99Å
103	L	71.5	Confident	66.8	Low	0 Å²	0	87.7 Å²	87.7	0%	0	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-107.3	28.8	176.2	-64.6	174.7	0	0	0	112.4	F38 L57 C81 W99 P100 D101 C105	F38-L103 HydrophobicContact CE1-CD1 4.45Å; F38-L103 HydrophobicContact CE2-CD1 4.47Å; F38-L103 HydrophobicContact CZ-CD1 3.68Å; L57-L103 HydrophobicContact CD1-CD2 3.63Å; C81-L103 PolarHBondContact SG-O 3.42Å; C81-L103 VanDerWaalsContact SG-O 3.38Å; W99-L103 HydrophobicContact CZ2-CB 4.46Å; W99-L103 HydrophobicContact CZ2-CD1 4.27Å; W99-L103 PolarHBondContact NE1-O 3.43Å; P100-L103 HydrophobicContact CB-CD1 4.34Å; P100-L103 HydrophobicContact CB-CG 4.48Å; P100-L103 HydrophobicContact CG-CD1 4.18Å; P100-L103 PolarHBondContact O-N 2.67Å; D101-L103 PolarHBondContact O-N 3.41Å; L103-C105 PolarHBondContact O-N 3.22Å; L103-C105 VanDerWaalsContact O-N 3.11Å
104	R	72.7	Confident	64.6	Low	138 Å²	138	87.4 Å²	87.4	52%	0.521	49%	0.489	S	S	.	.			trans	-59.5	118	176.9	-80.6	171.6	-177	-159.7	4	110.3	D101 S106 Q107	D101-R104 WeakPolarHBondContact O-CD 3.13Å; D101-R104 VanDerWaalsContact O-CG 3.24Å; D101-R104 WeakPolarHBondContact O-CG 3.22Å; D101-R104 IonicContact OD1-CZ 2.72Å; D101-R104 VanDerWaalsContact OD1-CZ 3.29Å; D101-R104 IonicContact OD1-NE 3.87Å; D101-R104 PolarHBondContact OD1-NE 3.49Å; D101-R104 IonicContact OD1-NH2 2.81Å; D101-R104 PolarHBondContact OD1-NH2 3.21Å; D101-R104 IonicContact OD2-NH2 3.18Å; R104-S106 PolarHBondContact O-N 3.16Å; R104-Q107 HydrophobicContact CB-CG 4.36Å; R104-Q107 WeakPolarHBondContact O-CB 3.42Å; R104-Q107 WeakPolarHBondContact O-CG 3.44Å; R104-Q107 PolarHBondContact O-N 2.76Å
105	C	74.5	Confident	63.4	Low	5 Å²	5	86.3 Å²	86.3	3%	0.034	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-62.3	-14.6	-174.5	-55.5	0	0	0	0	114.7	A78 C81 E82 L103 Q107 F108	A78-C105 WeakPolarHBondContact CB-O 3.39Å; C81-C105 HydrophobicContact CB-CB 3.66Å; C81-C105 WeakPolarHBondContact CB-SG 3.48Å; C81-C105 PolarHBondContact O-SG 3.47Å; C81-C105 VanDerWaalsContact O-SG 3.4Å; C81-C105 WeakPolarHBondContact SG-CA 3.49Å; C81-C105 WeakPolarHBondContact SG-CB 3.27Å; C81-C105 CovalentContact SG-SG 2.05Å; C81-C105 PolarHBondContact SG-SG 2.02Å; E82-C105 HydrophobicContact CG-CB 3.83Å; E82-C105 PolarHBondContact N-SG 2Å; L103-C105 PolarHBondContact O-N 3.22Å; L103-C105 VanDerWaalsContact O-N 3.11Å; C105-Q107 PolarHBondContact O-N 3.04Å; C105-F108 PolarHBondContact O-N 2.82Å
106	S	69	Low	61.9	Low	108 Å²	108	85.2 Å²	85.2	76%	0.755	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-68.4	-14.3	171.5	54.8	0	0	0	0	114.4	R104 F108	R104-S106 PolarHBondContact O-N 3.16Å; S106-F108 VanDerWaalsContact C-N 3.33Å
107	Q	68.7	Low	59.8	Low	114 Å²	114	83 Å²	83	53%	0.533	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-80.7	-14.6	177.1	-62.4	-178.1	0	0	0	113	F102 R104 C105	F102-Q107 PolarHBondContact O-OE1 2.99Å; R104-Q107 HydrophobicContact CB-CG 4.36Å; R104-Q107 WeakPolarHBondContact O-CB 3.42Å; R104-Q107 WeakPolarHBondContact O-CG 3.44Å; R104-Q107 PolarHBondContact O-N 2.76Å; C105-Q107 PolarHBondContact O-N 3.04Å
108	F	72.9	Confident	58.5	Low	14 Å²	14	86.7 Å²	86.7	6%	0.061	52%	0.519	C	S	.	.	S	Bend	trans	-96.8	153.1	-178.3	-61.9	-66.7	0	0	0	112.2	F53 L57 L75 P76 A78 C81 C105 S106	F53-F108 HydrophobicContact CZ-CE2 4.47Å; L57-F108 HydrophobicContact CD2-CE1 3.63Å; L57-F108 HydrophobicContact CD2-CZ 3.51Å; L75-F108 HydrophobicContact CB-CD1 4.23Å; L75-F108 HydrophobicContact CB-CE1 4.41Å; P76-F108 WeakPolarHBondContact O-CB 3.45Å; P76-F108 WeakPolarHBondContact O-CD1 3.01Å; P76-F108 WeakPolarHBondContact O-CG 3.43Å; A78-F108 HydrophobicContact CB-CB 4.02Å; C81-F108 HydrophobicContact CB-CD2 3.76Å; C81-F108 HydrophobicContact CB-CE2 3.99Å; C105-F108 PolarHBondContact O-N 2.82Å; S106-F108 VanDerWaalsContact C-N 3.33Å
109	S	70.9	Confident	56	Low	64 Å²	64	91.6 Å²	91.6	45%	0.448	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-72	141.9	179	-166.7	0	0	0	0	111.6	A78	A78-S109 PolarHBondContact N-O 2.88Å
110	K	57.5	Low	53.6	Low	169 Å²	169	94.7 Å²	94.7	74%	0.735	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-83.9	133.9	174.7	-68.2	-175.8	178.1	-176.1	0	109.6	A78 A112	A78-K110 HydrophobicContact CB-CG 4.19Å; K110-A112 PolarHBondContact O-N 2.83Å; K110-A112 VanDerWaalsContact O-N 3.1Å
111	N	53.3	Low	51.3	Low	69 Å²	69	99.5 Å²	99.5	37%	0.369	59%	0.594	S	S	.	*			trans	-58.7	114.1	173.4	-99.8	-19.5	0	0	0	110.1	C77 S113 C129	C77-N111 PolarHBondContact SG-OD1 2.97Å; N111-S113 VanDerWaalsContact C-N 3.35Å; N111-S113 PolarHBondContact O-N 3.07Å; N111-C129 PolarHBondContact OD1-SG 3.15Å
112	A	44.6	Very low	49.8	Very low	108 Å²	108	100.2 Å²	100.2	89%	0.893	61%	0.607	S	S	*	*			trans	-75	87.9	168	0	0	0	0	0	109.1	K110	K110-A112 PolarHBondContact O-N 2.83Å; K110-A112 VanDerWaalsContact O-N 3.1Å
113	S	37.9	Very low	47.9	Very low	97 Å²	97	98.5 Å²	98.5	68%	0.678	62%	0.619	S	S	*	*			trans	-153.3	79.2	162.1	52.8	0	0	0	0	111.2	N111	N111-S113 VanDerWaalsContact C-N 3.35Å; N111-S113 PolarHBondContact O-N 3.07Å
114	S	28.1	Very low	46	Very low	114 Å²	114	107.2 Å²	107.2	80%	0.797	67%	0.665	S	S	*	*			trans	-84.1	128	156.2	-40.9	0	0	0	0	107.7	S116	S114-S116 PolarHBondContact O-N 3.31Å
115	P	39.8	Very low	44.2	Very low	136 Å²	136	106.5 Å²	106.5	88%	0.883	68%	0.676	S	S	*	*			trans	-81.9	114.8	-178.7	31.4	-29.1	0	0	0	109.4
116	S	26.7	Very low	42.7	Very low	105 Å²	105	110.9 Å²	110.9	73%	0.734	70%	0.704	S	S	*	*			trans	-137.1	111.6	158.9	60.2	0	0	0	0	110.3	S114	S114-S116 PolarHBondContact O-N 3.31Å
117	S	26.9	Very low	41.9	Very low	119 Å²	119	108.3 Å²	108.3	83%	0.832	69%	0.685	S	S	*	*			trans	82.6	137	164.8	-44	0	0	0	0	118.1
118	P	42.8	Very low	41.5	Very low	120 Å²	120	106.1 Å²	106.1	78%	0.779	69%	0.687	S	S	*	*			trans	-93.9	131.8	-177.5	35.7	-28.2	0	0	0	110.7
119	M	26.9	Very low	41.2	Very low	188 Å²	188	105.6 Å²	105.6	93%	0.926	69%	0.685	S	S	*	*			trans	168.3	142.2	137.1	-95.6	171.2	108.3	0	0	111.5
120	A	26.1	Very low	41.1	Very low	85 Å²	85	103.4 Å²	103.4	70%	0.702	67%	0.667	S	S	*	*			trans	81.1	110.3	153	0	0	0	0	0	120.2
121	T	28.2	Very low	41.4	Very low	125 Å²	125	95.9 Å²	95.9	77%	0.767	64%	0.635	S	S	*	*			trans	69	108.4	130.1	55.5	0	0	0	0	120.9
122	S	39.2	Very low	41.7	Very low	122 Å²	122	94.2 Å²	94.2	85%	0.853	63%	0.629	S	S	*	*			trans	30.4	97.1	133.4	58.9	0	0	0	0	118.3
123	G	26.8	Very low	42	Very low	68 Å²	68	100.2 Å²	100.2	70%	0.701	63%	0.628	S	S	*	*			trans	-171.6	106.6	160.1	0	0	0	0	0	109.5	T125	G123-T125 PolarHBondContact O-N 3.5Å; G123-T125 VanDerWaalsContact O-N 3.08Å
124	L	33.3	Very low	42.4	Very low	184 Å²	184	100.1 Å²	100.1	96%	0.963	62%	0.617	S	S	*	*			trans	-71.1	95	175.7	-82.7	146.1	0	0	0	109.2
125	T	35	Very low	43.2	Very low	122 Å²	122	101.1 Å²	101.1	75%	0.748	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-73.5	131.3	159.5	46.9	0	0	0	0	108.7	G123	G123-T125 PolarHBondContact O-N 3.5Å; G123-T125 VanDerWaalsContact O-N 3.08Å
126	P	41.8	Very low	42.9	Very low	97 Å²	97	104.6 Å²	104.6	63%	0.63	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-62.3	139.4	-176.8	23.9	-32	0	0	0	110.7	A128	P126-A128 PolarHBondContact O-N 3.34Å
127	P	53.3	Low	43.3	Very low	55 Å²	55	102.8 Å²	102.8	36%	0.357	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-64.4	133.9	-176.8	26.3	-32.4	0	0	0	110.5	C129 Q134	P127-C129 VanDerWaalsContact C-N 3.27Å; P127-C129 PolarHBondContact O-N 2.84Å; P127-Q134 VanDerWaalsContact CB-NE2 3.29Å
128	A	60.3	Low	43.5	Very low	68 Å²	68	106.8 Å²	106.8	56%	0.562	61%	0.614	S	S	*	*	S	Bend	trans	-74.2	-16.7	-178.7	0	0	0	0	0	113.5	P126	P126-A128 PolarHBondContact O-N 3.34Å
129	C	65.8	Low	43.6	Very low	3 Å²	3	106.4 Å²	106.4	2%	0.02	61%	0.611	C	S	.	*	S	Bend	trans	-160.3	158.2	178.2	60.3	0	0	0	0	111.4	L75 C77 N111 P127	L75-C129 CarbonylContact O-C 3.59Å; L75-C129 VanDerWaalsContact O-CA 3.26Å; L75-C129 WeakPolarHBondContact O-CA 3.42Å; L75-C129 WeakPolarHBondContact O-CB 3.02Å; C77-C129 WeakPolarHBondContact CA-SG 3.26Å; C77-C129 HydrophobicContact CB-CB 3.87Å; C77-C129 WeakPolarHBondContact CB-SG 3.04Å; C77-C129 WeakPolarHBondContact SG-CB 3.19Å; C77-C129 PolarHBondContact SG-O 2.85Å; C77-C129 VanDerWaalsContact SG-O 3.4Å; C77-C129 CovalentContact SG-SG 2.03Å; C77-C129 PolarHBondContact SG-SG 2.72Å; N111-C129 PolarHBondContact OD1-SG 3.15Å; P127-C129 VanDerWaalsContact C-N 3.27Å; P127-C129 PolarHBondContact O-N 2.84Å
130	F	67.9	Low	44.5	Very low	18 Å²	18	100.7 Å²	100.7	8%	0.079	59%	0.59	C	S	.	*	B	Isolated β-bridge	trans	-85.5	131.1	-177.8	177.9	-101.7	0	0	0	112.1	P13 Y14 L52 V74 L75 C77 F80	P13-F130 HydrophobicContact CG-CE2 3.69Å; P13-F130 HydrophobicContact CG-CZ 4.22Å; Y14-F130 HydrophobicContact CE1-CD2 4.49Å; Y14-F130 HydrophobicContact CE1-CE2 4.34Å; L52-F130 HydrophobicContact CD1-CE1 4.5Å; L52-F130 HydrophobicContact CD1-CZ 4.35Å; L52-F130 HydrophobicContact CG-CE1 4.26Å; L52-F130 HydrophobicContact CG-CZ 4.49Å; V74-F130 HydrophobicContact CG1-CB 4.26Å; L75-F130 PolarHBondContact O-N 3.16Å; C77-F130 PolarHBondContact N-O 3.37Å; C77-F130 PolarHBondContact SG-O 3.25Å; C77-F130 VanDerWaalsContact SG-O 3.41Å; F80-F130 HydrophobicContact CD1-CD1 4.4Å; F80-F130 HydrophobicContact CE1-CD1 4.18Å; F80-F130 HydrophobicContact CE1-CE1 4.11Å
131	S	65.6	Low	46	Very low	10 Å²	10	103.1 Å²	103.1	7%	0.07	60%	0.596	C	S	.	*			trans	-148.2	149.8	171.9	69.5	0	0	0	0	112.6	R133 Q134	S131-R133 PolarHBondContact O-N 3.07Å; S131-Q134 PolarHBondContact O-N 3.49Å
132	P	57.8	Low	47.3	Very low	35 Å²	35	97.5 Å²	97.5	23%	0.227	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-60.5	-15.9	-177.4	-23.1	32.1	0	0	0	115.4	L52 F80 Q134	L52-P132 HydrophobicContact CD2-CG 4.33Å; F80-P132 HydrophobicContact CD2-CG 3.94Å; F80-P132 HydrophobicContact CE1-CG 4.34Å; F80-P132 HydrophobicContact CE2-CG 3.55Å; F80-P132 HydrophobicContact CG-CG 4.48Å; F80-P132 HydrophobicContact CZ-CG 3.8Å; P132-Q134 PolarHBondContact O-N 2.06Å
133	R	52	Low	47.7	Very low	233 Å²	233	94.8 Å²	94.8	88%	0.879	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-72.6	-9.5	-178.8	-70	-172.7	176.5	-162.2	-0.5	114.2	S131	S131-R133 PolarHBondContact O-N 3.07Å
134	Q	45.4	Very low	49	Very low	96 Å²	96	93.5 Å²	93.5	45%	0.449	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-85.2	-0.3	-177.6	-73.7	171.7	-6.6	0	0	114.5	P127 S131 P132 K136	P127-Q134 VanDerWaalsContact CB-NE2 3.29Å; S131-Q134 PolarHBondContact O-N 3.49Å; P132-Q134 PolarHBondContact O-N 2.06Å; Q134-K136 VanDerWaalsContact C-N 3.26Å; Q134-K136 PolarHBondContact O-N 2.91Å
135	I	45.7	Very low	50.1	Low	135 Å²	135	94.2 Å²	94.2	69%	0.692	53%	0.534	S	S	*	.			trans	-83.4	69.7	174.9	-49.4	171.6	0	0	0	109.6
136	K	33.7	Very low	51.3	Low	209 Å²	209	94 Å²	94	91%	0.909	53%	0.529	S	S	*	.			trans	-107.1	89.7	162.8	-98.6	-174.1	176.3	179.7	0	108.9	Q134	Q134-K136 VanDerWaalsContact C-N 3.26Å; Q134-K136 PolarHBondContact O-N 2.91Å
137	G	35.6	Very low	52.5	Low	67 Å²	67	92.4 Å²	92.4	69%	0.691	52%	0.515	S	S	*	.	S	Bend	trans	134.9	90	159	0	0	0	0	0	117.4
138	K	30.7	Very low	53.2	Low	203 Å²	203	93.2 Å²	93.2	88%	0.883	51%	0.513	S	S	*	.	S	Bend	trans	75.4	147.6	159.1	-60.8	177.9	177.5	177.1	0	119.1
139	P	44.6	Very low	53.5	Low	111 Å²	111	94 Å²	94	72%	0.721	51%	0.507	S	S	*	.			cis	-114.8	143	-40.8	34.6	-20.4	0	0	0	111.8
140	S	46.8	Very low	53.6	Low	69 Å²	69	94 Å²	94	48%	0.483	51%	0.507	S	S	.	.			trans	27	102.4	150.6	56.2	0	0	0	0	118.5	C142	S140-C142 WeakPolarHBondContact CB-O 3.46Å; S140-C142 CarbonylContact O-C 3.5Å; S140-C142 PolarHBondContact O-N 3.29Å
141	V	56.1	Low	53.1	Low	136 Å²	136	95.6 Å²	95.6	82%	0.824	52%	0.523	S	S	*	.	S	Bend	trans	-55.2	-25.5	166.3	172.3	0	0	0	0	112.2
142	C	55.2	Low	52.2	Low	7 Å²	7	97.6 Å²	97.6	5%	0.047	54%	0.538	C	S	.	.	S	Bend	trans	-93.7	104.4	167.2	-51.8	0	0	0	0	108.6	S140 G144 N147 L149 C155	S140-C142 WeakPolarHBondContact CB-O 3.46Å; S140-C142 CarbonylContact O-C 3.5Å; S140-C142 PolarHBondContact O-N 3.29Å; C142-G144 PolarHBondContact O-N 3.41Å; C142-N147 HydrophobicContact CB-CB 3.68Å; C142-L149 VanDerWaalsContact SG-CD1 3.59Å; C142-C155 WeakPolarHBondContact CA-SG 3.25Å; C142-C155 HydrophobicContact CB-CB 3.6Å; C142-C155 WeakPolarHBondContact CB-SG 2.92Å; C142-C155 WeakPolarHBondContact SG-CA 3.38Å; C142-C155 WeakPolarHBondContact SG-CB 3.2Å; C142-C155 CovalentContact SG-SG 2.01Å; C142-C155 PolarHBondContact SG-SG 3.1Å
143	G	49.1	Very low	52.4	Low	65 Å²	65	98.1 Å²	98.1	67%	0.67	55%	0.549	S	S	*	.	S	Bend	trans	-52.7	109.1	-174.3	0	0	0	0	0	113.2	N147	G143-N147 PolarHBondContact O-ND2 3.15Å
144	G	54.1	Low	52.9	Low	40 Å²	40	90 Å²	90	41%	0.412	52%	0.523	S	S	.	.	S	Bend	trans	124.9	159.8	170.4	0	0	0	0	0	114.8	C142 D146	C142-G144 PolarHBondContact O-N 3.41Å; G144-D146 PolarHBondContact O-N 3.4Å
145	K	55.3	Low	54	Low	200 Å²	200	88.2 Å²	88.2	87%	0.87	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.8	175.7	-74.9	-177.2	176.3	-179.7	0	113.6	Q158	K145-Q158 PolarHBondContact O-OE1 3.3Å
146	D	61.1	Low	55.2	Low	117 Å²	117	82 Å²	82	63%	0.626	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	16.1	-169.3	-53.2	-44	0	0	0	113	G144 P157 Q158	G144-D146 PolarHBondContact O-N 3.4Å; D146-P157 CarbonylContact O-C 3.56Å; D146-P157 WeakPolarHBondContact O-CA 3.31Å; D146-Q158 PolarHBondContact O-N 2.77Å
147	N	65.9	Low	57.1	Low	63 Å²	63	73.7 Å²	73.7	34%	0.337	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132	-179.5	-66.9	-31.6	0	0	0	111.1	C142 G143 V156	C142-N147 HydrophobicContact CB-CB 3.68Å; G143-N147 PolarHBondContact O-ND2 3.15Å; N147-V156 CarbonylContact C-O 3.58Å; N147-V156 WeakPolarHBondContact CA-O 3.35Å
148	F	67.9	Low	58.6	Low	72 Å²	72	76.3 Å²	76.3	32%	0.316	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138	173.5	177.4	-99.9	0	0	0	110.5	C155 V156 V161 D173	F148-C155 WeakPolarHBondContact O-CA 3.26Å; F148-V156 HydrophobicContact CB-CG2 3.98Å; F148-V156 HydrophobicContact CD1-CG2 3.77Å; F148-V156 HydrophobicContact CG-CG2 4.37Å; F148-V156 PolarHBondContact N-O 3.16Å; F148-V156 PolarHBondContact O-N 3.36Å; F148-V161 HydrophobicContact CB-CG2 3.34Å; F148-V161 HydrophobicContact CD1-CG2 3.87Å; F148-V161 HydrophobicContact CD2-CG2 4.17Å; F148-V161 HydrophobicContact CG-CG2 3.55Å; F148-D173 HydrophobicContact CD1-CB 4.49Å; F148-D173 HydrophobicContact CE1-CB 4.3Å
149	L	66.4	Low	60.5	Low	86 Å²	86	72.8 Å²	72.8	45%	0.45	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.2	176.8	179.6	70.8	0	0	0	108.7	C142	C142-L149 VanDerWaalsContact SG-CD1 3.59Å
150	C	67.7	Low	61.6	Low	1 Å²	1	68.8 Å²	68.8	1%	0.007	41%	0.407	C	S	.	.			trans	-62	156.3	174.2	-52.1	0	0	0	0	111.4	S152 G153 I154 C168	C150-S152 WeakPolarHBondContact CB-OG 3.19Å; C150-S152 PolarHBondContact O-N 3.04Å; C150-G153 PolarHBondContact O-N 2.75Å; C150-I154 HydrophobicContact CB-CB 4.15Å; C150-I154 WeakPolarHBondContact CB-O 3.41Å; C150-I154 PolarHBondContact N-O 2.83Å; C150-I154 PolarHBondContact SG-O 3.42Å; C150-C168 HydrophobicContact CB-CB 3.44Å; C150-C168 VanDerWaalsContact CB-CB 3.44Å; C150-C168 WeakPolarHBondContact CB-SG 2.72Å; C150-C168 WeakPolarHBondContact SG-CA 3.25Å; C150-C168 WeakPolarHBondContact SG-CB 3.12Å; C150-C168 CovalentContact SG-SG 2Å; C150-C168 PolarHBondContact SG-SG 2.97Å
151	A	58.4	Low	62.8	Low	52 Å²	52	67.1 Å²	67.1	43%	0.43	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.6	175.4	0	0	0	0	0	111.9	R48 G153 D170 S172	R48-A151 WeakPolarHBondContact CD-O 3.42Å; R48-A151 PolarHBondContact NH1-O 3.24Å; R48-A151 VanDerWaalsContact NH1-O 3.17Å; A151-G153 VanDerWaalsContact C-N 3.26Å; A151-G153 PolarHBondContact O-N 3.23Å; A151-D170 VanDerWaalsContact C-OD2 3.3Å; A151-D170 WeakPolarHBondContact CA-OD2 3.31Å; A151-D170 WeakPolarHBondContact CB-OD2 3.31Å; A151-D170 PolarHBondContact N-OD2 3.31Å; A151-S172 WeakPolarHBondContact CB-OG 3.26Å; A151-S172 PolarHBondContact N-OG 3.26Å
152	S	47.6	Very low	63.5	Low	53 Å²	53	63.4 Å²	63.4	37%	0.371	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.8	172.2	59.6	0	0	0	0	114.2	C150 C168 D170	C150-S152 WeakPolarHBondContact CB-OG 3.19Å; C150-S152 PolarHBondContact O-N 3.04Å; S152-C168 PolarHBondContact OG-O 3.27Å; S152-D170 WeakPolarHBondContact CA-OD2 3.43Å; S152-D170 VanDerWaalsContact CB-OD2 3.29Å; S152-D170 WeakPolarHBondContact CB-OD2 3.01Å; S152-D170 PolarHBondContact N-OD2 3.4Å
153	G	61.2	Low	63.9	Low	45 Å²	45	64.7 Å²	64.7	46%	0.464	38%	0.38	S	S	.	.	S	Bend	trans	92	3.5	-178.6	0	0	0	0	0	114.9	C150 A151	C150-G153 PolarHBondContact O-N 2.75Å; A151-G153 VanDerWaalsContact C-N 3.26Å; A151-G153 PolarHBondContact O-N 3.23Å
154	I	62.4	Low	64.4	Low	63 Å²	63	63 Å²	63	32%	0.323	36%	0.362	S	S	.	.			trans	-76.3	143.3	174.2	-59	175.3	0	0	0	110.1	C150 V156 D169	C150-I154 HydrophobicContact CB-CB 4.15Å; C150-I154 WeakPolarHBondContact CB-O 3.41Å; C150-I154 PolarHBondContact N-O 2.83Å; C150-I154 PolarHBondContact SG-O 3.42Å; I154-V156 HydrophobicContact CG2-CG1 4.16Å; I154-D169 HydrophobicContact CD1-CB 4.17Å
155	C	69.4	Low	64.8	Low	58 Å²	58	62.3 Å²	62.3	39%	0.392	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.8	175.7	-66	0	0	0	0	110	C142 F148	C142-C155 WeakPolarHBondContact CA-SG 3.25Å; C142-C155 HydrophobicContact CB-CB 3.6Å; C142-C155 WeakPolarHBondContact CB-SG 2.92Å; C142-C155 WeakPolarHBondContact SG-CA 3.38Å; C142-C155 WeakPolarHBondContact SG-CB 3.2Å; C142-C155 CovalentContact SG-SG 2.01Å; C142-C155 PolarHBondContact SG-SG 3.1Å; F148-C155 WeakPolarHBondContact O-CA 3.26Å
156	V	69.1	Low	65.1	Low	6 Å²	6	53.4 Å²	53.4	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.1	175.9	-62.8	0	0	0	0	110.5	N147 F148 I154 L160 V161 D167	N147-V156 CarbonylContact C-O 3.58Å; N147-V156 WeakPolarHBondContact CA-O 3.35Å; F148-V156 HydrophobicContact CB-CG2 3.98Å; F148-V156 HydrophobicContact CD1-CG2 3.77Å; F148-V156 HydrophobicContact CG-CG2 4.37Å; F148-V156 PolarHBondContact N-O 3.16Å; F148-V156 PolarHBondContact O-N 3.36Å; I154-V156 HydrophobicContact CG2-CG1 4.16Å; V156-L160 HydrophobicContact CB-CB 4.43Å; V156-V161 HydrophobicContact CG2-CG2 4.32Å; V156-D167 HydrophobicContact CG1-CB 4.07Å; V156-D167 WeakPolarHBondContact CG1-O 3.01Å
157	P	74.4	Confident	65.4	Low	34 Å²	34	49.5 Å²	49.5	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	145.6	172.2	-26.4	34.8	0	0	0	111.9	D146 K159 L160	D146-P157 CarbonylContact O-C 3.56Å; D146-P157 WeakPolarHBondContact O-CA 3.31Å; P157-K159 HydrophobicContact CB-CD 4.28Å; P157-K159 HydrophobicContact CB-CG 3.64Å; P157-K159 PolarHBondContact O-N 2.97Å; P157-K159 VanDerWaalsContact O-N 3.08Å; P157-L160 HydrophobicContact CB-CG 4.29Å; P157-L160 HydrophobicContact CG-CD1 4.29Å; P157-L160 HydrophobicContact CG-CG 4.42Å; P157-L160 WeakPolarHBondContact O-CA 3.24Å; P157-L160 WeakPolarHBondContact O-CB 3.38Å; P157-L160 PolarHBondContact O-N 3.4Å
158	Q	67.8	Low	65.3	Low	121 Å²	121	46.5 Å²	46.5	57%	0.565	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62	-22.5	-178.5	-167.1	170	-8.2	0	0	113.2	K145 D146 L160 V161	K145-Q158 PolarHBondContact O-OE1 3.3Å; D146-Q158 PolarHBondContact O-N 2.77Å; Q158-L160 PolarHBondContact O-N 3.41Å; Q158-V161 PolarHBondContact O-N 3.19Å
159	K	70.1	Confident	64.8	Low	130 Å²	130	48.6 Å²	48.6	57%	0.565	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.1	-18.4	169.8	59.4	169.9	-178.2	-179.2	0	114	P157 D804	P157-K159 HydrophobicContact CB-CD 4.28Å; P157-K159 HydrophobicContact CB-CG 3.64Å; P157-K159 PolarHBondContact O-N 2.97Å; P157-K159 VanDerWaalsContact O-N 3.08Å; K159-D804 IonicContact NZ-OD2 3.59Å; K159-D804 PolarHBondContact NZ-OD2 3.26Å
160	L	67.1	Low	64.5	Low	26 Å²	26	47.3 Å²	47.3	14%	0.136	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-98	-1.8	179.2	-57.9	-167.7	0	0	0	112.5	V156 P157 Q158 N163 D167	V156-L160 HydrophobicContact CB-CB 4.43Å; P157-L160 HydrophobicContact CB-CG 4.29Å; P157-L160 HydrophobicContact CG-CD1 4.29Å; P157-L160 HydrophobicContact CG-CG 4.42Å; P157-L160 WeakPolarHBondContact O-CA 3.24Å; P157-L160 WeakPolarHBondContact O-CB 3.38Å; P157-L160 PolarHBondContact O-N 3.4Å; Q158-L160 PolarHBondContact O-N 3.41Å; L160-N163 VanDerWaalsContact CA-ND2 3.29Å; L160-N163 WeakPolarHBondContact CA-ND2 3.26Å; L160-N163 VanDerWaalsContact O-CG 3.23Å; L160-N163 PolarHBondContact O-ND2 3.2Å; L160-N163 PolarHBondContact O-OD1 3.43Å; L160-D167 HydrophobicContact CB-CB 4.42Å; L160-D167 WeakPolarHBondContact CB-OD2 3.2Å; L160-D167 HydrophobicContact CD1-CB 4.4Å
161	V	73.2	Confident	64.1	Low	35 Å²	35	51 Å²	51	21%	0.212	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	133.9	174.5	-177.7	0	0	0	0	108.4	F148 V156 Q158 N163 D173	F148-V161 HydrophobicContact CB-CG2 3.34Å; F148-V161 HydrophobicContact CD1-CG2 3.87Å; F148-V161 HydrophobicContact CD2-CG2 4.17Å; F148-V161 HydrophobicContact CG-CG2 3.55Å; V156-V161 HydrophobicContact CG2-CG2 4.32Å; Q158-V161 PolarHBondContact O-N 3.19Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 2.97Å; V161-D173 WeakPolarHBondContact CG1-O 3.41Å
162	C	69.4	Low	64.4	Low	57 Å²	57	49.4 Å²	49.4	39%	0.385	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	36.8	179.6	-61.4	0	0	0	0	114.1	D173 E174 C177	C162-D173 PolarHBondContact N-O 3.15Å; C162-E174 VanDerWaalsContact CA-OE1 3.31Å; C162-E174 WeakPolarHBondContact CA-OE1 3.39Å; C162-E174 PolarHBondContact N-OE1 3.49Å; C162-C177 WeakPolarHBondContact CA-SG 3.29Å; C162-C177 HydrophobicContact CB-CB 3.68Å; C162-C177 WeakPolarHBondContact CB-SG 3.35Å; C162-C177 WeakPolarHBondContact SG-CA 3.23Å; C162-C177 WeakPolarHBondContact SG-CB 3.19Å; C162-C177 CovalentContact SG-SG 2.02Å; C162-C177 PolarHBondContact SG-SG 2Å
163	N	64.3	Low	65.4	Low	34 Å²	34	47 Å²	47	18%	0.182	26%	0.263	C	S	.	.	S	Bend	trans	-96.5	-3.5	176.8	64.7	2.3	0	0	0	112.1	L160 V161 Y165 D167 E174 Y806	L160-N163 VanDerWaalsContact CA-ND2 3.29Å; L160-N163 WeakPolarHBondContact CA-ND2 3.26Å; L160-N163 VanDerWaalsContact O-CG 3.23Å; L160-N163 PolarHBondContact O-ND2 3.2Å; L160-N163 PolarHBondContact O-OD1 3.43Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 2.97Å; N163-Y165 VanDerWaalsContact O-CD2 3.26Å; N163-Y165 WeakPolarHBondContact O-CD2 3.32Å; N163-Y165 WeakPolarHBondContact OD1-CA 3.43Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.35Å; N163-Y165 PolarHBondContact OD1-N 2.72Å; N163-Y165 PolarHBondContact OD1-O 2.8Å; N163-D167 PolarHBondContact ND2-OD2 3.3Å; N163-E174 PolarHBondContact N-OE1 3.49Å; N163-E174 PolarHBondContact OD1-OE1 3.07Å; N163-Y806 PolarHBondContact ND2-OH 3.45Å
164	G	59.9	Low	66	Low	30 Å²	30	45.2 Å²	45.2	31%	0.309	24%	0.243	S	C	.	.	S	Bend	trans	86	16.5	-174.5	0	0	0	0	0	113.5	E174	G164-E174 WeakPolarHBondContact CA-OE2 3.4Å; G164-E174 VanDerWaalsContact N-CD 3.28Å; G164-E174 PolarHBondContact N-OE1 3.17Å; G164-E174 PolarHBondContact N-OE2 2.58Å
165	Y	61.2	Low	66.1	Low	25 Å²	25	45.2 Å²	45.2	10%	0.098	25%	0.246	C	C	.	.	S	Bend	trans	-129.1	113.7	-173	-70.3	-117.8	0	0	0	109	N163 D167 E174 K681 R682 Y806	N163-Y165 VanDerWaalsContact O-CD2 3.26Å; N163-Y165 WeakPolarHBondContact O-CD2 3.32Å; N163-Y165 WeakPolarHBondContact OD1-CA 3.43Å; N163-Y165 WeakPolarHBondContact OD1-CB 3.35Å; N163-Y165 PolarHBondContact OD1-N 2.72Å; N163-Y165 PolarHBondContact OD1-O 2.8Å; Y165-D167 VanDerWaalsContact C-N 3.32Å; Y165-D167 PolarHBondContact O-N 2.92Å; Y165-E174 PolarHBondContact N-OE1 2.81Å; Y165-E174 VanDerWaalsContact N-OE1 3.17Å; Y165-K681 HydrophobicContact CE2-CD 4.46Å; Y165-R682 VanDerWaalsContact C-CZ 3.47Å; Y165-R682 VanDerWaalsContact CB-NH1 3.27Å; Y165-R682 HydrophobicContact CD1-CB 4.16Å; Y165-R682 HydrophobicContact CD1-CG 3.51Å; Y165-R682 HydrophobicContact CE1-CB 3.64Å; Y165-R682 HydrophobicContact CE1-CG 3.39Å; Y165-R682 HydrophobicContact CE2-CB 4.41Å; Y165-R682 VanDerWaalsContact CG-CD 3.43Å; Y165-R682 HydrophobicContact CG-CG 4.16Å; Y165-Y806 AromaticContact CD1-CD1 3.49Å; Y165-Y806 HydrophobicContact CD1-CD1 3.49Å; Y165-Y806 VanDerWaalsContact CD1-CD1 3.49Å; Y165-Y806 HydrophobicContact CD1-CD2 4.32Å; Y165-Y806 AromaticContact CD1-CE1 3.18Å; Y165-Y806 HydrophobicContact CD1-CE1 3.18Å; Y165-Y806 HydrophobicContact CD1-CE2 4.05Å; Y165-Y806 HydrophobicContact CD1-CG 4.06Å; Y165-Y806 AromaticContact CD1-CZ 3.48Å; Y165-Y806 VanDerWaalsContact CD1-CZ 3.48Å; Y165-Y806 AromaticContact CE1-CD1 3.64Å; Y165-Y806 HydrophobicContact CE1-CD1 3.64Å; Y165-Y806 HydrophobicContact CE1-CD2 4.11Å; Y165-Y806 AromaticContact CE1-CE1 3.82Å; Y165-Y806 HydrophobicContact CE1-CE1 3.82Å; Y165-Y806 HydrophobicContact CE1-CE2 4.24Å; Y165-Y806 AromaticContact CE1-CG 3.8Å; Y165-Y806 HydrophobicContact CE1-CG 3.8Å; Y165-Y806 AromaticContact CG-CE1 3.88Å; Y165-Y806 HydrophobicContact CG-CE1 3.88Å; Y165-Y806 HydrophobicContact CG-CE2 4.38Å; Y165-Y806 AromaticContact CG-CZ 3.77Å
166	N	61.8	Low	65.8	Low	14 Å²	14	51.1 Å²	51.1	8%	0.075	27%	0.267	C	S	.	.			trans	-59.8	92.9	164	-178.9	15.6	0	0	0	110.4	C168 D169 D170 W171 R682	N166-C168 PolarHBondContact OD1-N 2.98Å; N166-D169 VanDerWaalsContact ND2-C 3.29Å; N166-D169 PolarHBondContact ND2-O 2.02Å; N166-D169 VanDerWaalsContact OD1-C 3.29Å; N166-D169 VanDerWaalsContact OD1-CA 3.28Å; N166-D169 WeakPolarHBondContact OD1-CA 3.43Å; N166-D169 PolarHBondContact OD1-N 3.39Å; N166-D170 PolarHBondContact OD1-N 3.33Å; N166-W171 HydrophobicContact CB-CD2 3.53Å; N166-W171 HydrophobicContact CB-CE3 3.87Å; N166-W171 HydrophobicContact CB-CG 3.91Å; N166-W171 HydrophobicContact CB-CH2 4.07Å; N166-W171 HydrophobicContact CB-CZ2 3.81Å; N166-W171 HydrophobicContact CB-CZ3 4.11Å; N166-W171 PolarHBondContact ND2-NE1 2.83Å; N166-W171 VanDerWaalsContact ND2-NE1 3.17Å; N166-W171 WeakPolarHBondContact OD1-CA 3.46Å; N166-W171 PolarHBondContact OD1-N 3.17Å; N166-R682 VanDerWaalsContact C-NH1 3.34Å; N166-R682 PolarHBondContact O-NH1 3.44Å; N166-R682 PolarHBondContact O-NH2 3.31Å
167	D	68.1	Low	65.6	Low	34 Å²	34	51.7 Å²	51.7	18%	0.182	27%	0.271	C	S	.	.			trans	-98.9	-10.1	174	-60.5	-39.8	0	0	0	110.2	V156 L160 N163 Y165 D173 R682 Y806	V156-D167 HydrophobicContact CG1-CB 4.07Å; V156-D167 WeakPolarHBondContact CG1-O 3.01Å; L160-D167 HydrophobicContact CB-CB 4.42Å; L160-D167 WeakPolarHBondContact CB-OD2 3.2Å; L160-D167 HydrophobicContact CD1-CB 4.4Å; N163-D167 PolarHBondContact ND2-OD2 3.3Å; Y165-D167 VanDerWaalsContact C-N 3.32Å; Y165-D167 PolarHBondContact O-N 2.92Å; D167-D173 WeakPolarHBondContact CA-OD2 3.24Å; D167-D173 WeakPolarHBondContact CB-OD2 3.31Å; D167-D173 PolarHBondContact N-OD2 3.21Å; D167-R682 IonicContact OD1-NH1 2.96Å; D167-R682 PolarHBondContact OD1-NH1 2.81Å; D167-R682 VanDerWaalsContact OD1-NH1 3.11Å; D167-Y806 PolarHBondContact OD1-OH 2.93Å; D167-Y806 PolarHBondContact OD2-OH 3.3Å
168	C	63.9	Low	65.3	Low	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-91.2	0.9	177.2	-81.8	0	0	0	0	116	C150 S152 N166 D170 D173	C150-C168 HydrophobicContact CB-CB 3.44Å; C150-C168 VanDerWaalsContact CB-CB 3.44Å; C150-C168 WeakPolarHBondContact CB-SG 2.72Å; C150-C168 WeakPolarHBondContact SG-CA 3.25Å; C150-C168 WeakPolarHBondContact SG-CB 3.12Å; C150-C168 CovalentContact SG-SG 2Å; C150-C168 PolarHBondContact SG-SG 2.97Å; S152-C168 PolarHBondContact OG-O 3.27Å; N166-C168 PolarHBondContact OD1-N 2.98Å; C168-D170 WeakPolarHBondContact CB-OD1 3.42Å; C168-D170 PolarHBondContact O-N 2.86Å; C168-D173 HydrophobicContact CB-CB 4.26Å; C168-D173 WeakPolarHBondContact CB-OD1 3.14Å; C168-D173 PolarHBondContact N-OD2 2.88Å; C168-D173 VanDerWaalsContact SG-CB 3.5Å; C168-D173 VanDerWaalsContact SG-CG 3.6Å
169	D	57.1	Low	65.1	Low	116 Å²	116	55.4 Å²	55.4	62%	0.62	29%	0.289	S	S	*	.	S	Bend	trans	57.5	-24.6	-167.4	-73.2	-31	0	0	0	115.8	I154 N166	I154-D169 HydrophobicContact CD1-CB 4.17Å; N166-D169 VanDerWaalsContact ND2-C 3.29Å; N166-D169 PolarHBondContact ND2-O 2.02Å; N166-D169 VanDerWaalsContact OD1-C 3.29Å; N166-D169 VanDerWaalsContact OD1-CA 3.28Å; N166-D169 WeakPolarHBondContact OD1-CA 3.43Å; N166-D169 PolarHBondContact OD1-N 3.39Å
170	D	60.6	Low	64.9	Low	59 Å²	59	53 Å²	53	32%	0.316	29%	0.287	S	S	.	.	S	Bend	trans	-109.2	10.9	-178.3	72.6	-5.5	0	0	0	114.1	A151 S152 N166 C168 S172	A151-D170 VanDerWaalsContact C-OD2 3.3Å; A151-D170 WeakPolarHBondContact CA-OD2 3.31Å; A151-D170 WeakPolarHBondContact CB-OD2 3.31Å; A151-D170 PolarHBondContact N-OD2 3.31Å; S152-D170 WeakPolarHBondContact CA-OD2 3.43Å; S152-D170 VanDerWaalsContact CB-OD2 3.29Å; S152-D170 WeakPolarHBondContact CB-OD2 3.01Å; S152-D170 PolarHBondContact N-OD2 3.4Å; N166-D170 PolarHBondContact OD1-N 3.33Å; C168-D170 WeakPolarHBondContact CB-OD1 3.42Å; C168-D170 PolarHBondContact O-N 2.86Å; D170-S172 PolarHBondContact O-N 3.17Å; D170-S172 VanDerWaalsContact O-N 3.16Å; D170-S172 WeakPolarHBondContact OD1-CB 3.36Å; D170-S172 PolarHBondContact OD1-N 2.81Å; D170-S172 PolarHBondContact OD1-OG 3.48Å; D170-S172 PolarHBondContact OD2-OG 3.39Å
171	W	58.1	Low	64.4	Low	78 Å²	78	60.1 Å²	60.1	30%	0.295	33%	0.325	S	S	.	.	S	Bend	trans	62.5	10	-177.6	-70.1	87.7	0	0	0	115.6	N166 D173 E174 T175 R190	N166-W171 HydrophobicContact CB-CD2 3.53Å; N166-W171 HydrophobicContact CB-CE3 3.87Å; N166-W171 HydrophobicContact CB-CG 3.91Å; N166-W171 HydrophobicContact CB-CH2 4.07Å; N166-W171 HydrophobicContact CB-CZ2 3.81Å; N166-W171 HydrophobicContact CB-CZ3 4.11Å; N166-W171 PolarHBondContact ND2-NE1 2.83Å; N166-W171 VanDerWaalsContact ND2-NE1 3.17Å; N166-W171 WeakPolarHBondContact OD1-CA 3.46Å; N166-W171 PolarHBondContact OD1-N 3.17Å; W171-D173 VanDerWaalsContact C-OD1 3.3Å; W171-D173 PolarHBondContact O-N 2.96Å; W171-D173 VanDerWaalsContact O-N 3.16Å; W171-E174 HydrophobicContact CE3-CB 3.92Å; W171-E174 HydrophobicContact CE3-CG 4.12Å; W171-E174 HydrophobicContact CZ3-CB 4.39Å; W171-E174 HydrophobicContact CZ3-CG 4.28Å; W171-E174 PolarHBondContact O-N 3.02Å; W171-T175 WeakPolarHBondContact O-CG2 3.31Å; W171-R190 VanDerWaalsContact CZ3-NE 3.34Å
172	S	65.9	Low	64	Low	19 Å²	19	66.2 Å²	66.2	13%	0.133	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-59	-30.3	-177.5	-70.5	0	0	0	0	114	A151 D170 E174 T175	A151-S172 WeakPolarHBondContact CB-OG 3.26Å; A151-S172 PolarHBondContact N-OG 3.26Å; D170-S172 PolarHBondContact O-N 3.17Å; D170-S172 VanDerWaalsContact O-N 3.16Å; D170-S172 WeakPolarHBondContact OD1-CB 3.36Å; D170-S172 PolarHBondContact OD1-N 2.81Å; D170-S172 PolarHBondContact OD1-OG 3.48Å; D170-S172 PolarHBondContact OD2-OG 3.39Å; S172-E174 PolarHBondContact O-N 2.87Å; S172-T175 PolarHBondContact O-OG1 2.94Å; S172-T175 VanDerWaalsContact O-OG1 3.09Å
173	D	69	Low	64.1	Low	2 Å²	2	67.6 Å²	67.6	1%	0.011	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-68.4	-16.2	176.6	47.7	-13.4	0	0	0	114.8	F148 V161 C162 D167 C168 W171	F148-D173 HydrophobicContact CD1-CB 4.49Å; F148-D173 HydrophobicContact CE1-CB 4.3Å; V161-D173 WeakPolarHBondContact CG1-O 3.41Å; C162-D173 PolarHBondContact N-O 3.15Å; D167-D173 WeakPolarHBondContact CA-OD2 3.24Å; D167-D173 WeakPolarHBondContact CB-OD2 3.31Å; D167-D173 PolarHBondContact N-OD2 3.21Å; C168-D173 HydrophobicContact CB-CB 4.26Å; C168-D173 WeakPolarHBondContact CB-OD1 3.14Å; C168-D173 PolarHBondContact N-OD2 2.88Å; C168-D173 VanDerWaalsContact SG-CB 3.5Å; C168-D173 VanDerWaalsContact SG-CG 3.6Å; W171-D173 VanDerWaalsContact C-OD1 3.3Å; W171-D173 PolarHBondContact O-N 2.96Å; W171-D173 VanDerWaalsContact O-N 3.16Å
174	E	73.4	Confident	64.4	Low	8 Å²	8	69.3 Å²	69.3	4%	0.037	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-118	1.5	-172.4	-67	-64.3	151.6	0	0	113.8	C162 N163 G164 Y165 W171 S172	C162-E174 VanDerWaalsContact CA-OE1 3.31Å; C162-E174 WeakPolarHBondContact CA-OE1 3.39Å; C162-E174 PolarHBondContact N-OE1 3.49Å; N163-E174 PolarHBondContact N-OE1 3.49Å; N163-E174 PolarHBondContact OD1-OE1 3.07Å; G164-E174 WeakPolarHBondContact CA-OE2 3.4Å; G164-E174 VanDerWaalsContact N-CD 3.28Å; G164-E174 PolarHBondContact N-OE1 3.17Å; G164-E174 PolarHBondContact N-OE2 2.58Å; Y165-E174 PolarHBondContact N-OE1 2.81Å; Y165-E174 VanDerWaalsContact N-OE1 3.17Å; W171-E174 HydrophobicContact CE3-CB 3.92Å; W171-E174 HydrophobicContact CE3-CG 4.12Å; W171-E174 HydrophobicContact CZ3-CB 4.39Å; W171-E174 HydrophobicContact CZ3-CG 4.28Å; W171-E174 PolarHBondContact O-N 3.02Å; S172-E174 PolarHBondContact O-N 2.87Å
175	T	63.5	Low	65	Low	63 Å²	63	76.2 Å²	76.2	39%	0.387	38%	0.375	S	S	.	.	S	Bend	trans	-85.4	-16.2	-172.2	55.6	0	0	0	0	114.8	W171 S172	W171-T175 WeakPolarHBondContact O-CG2 3.31Å; S172-T175 PolarHBondContact O-OG1 2.94Å; S172-T175 VanDerWaalsContact O-OG1 3.09Å
176	H	63.1	Low	65.6	Low	182 Å²	182	75.2 Å²	75.2	84%	0.843	37%	0.371	S	S	*	.	S	Bend	trans	-132.1	49.3	-173.2	-75.5	-67.6	0	0	0	112.7
177	C	66.8	Low	66	Low	19 Å²	19	81.2 Å²	81.2	13%	0.128	40%	0.403	C	S	.	.			trans	-100.5	139.6	-176.8	-53.2	0	0	0	0	112.3	C162 C179	C162-C177 WeakPolarHBondContact CA-SG 3.29Å; C162-C177 HydrophobicContact CB-CB 3.68Å; C162-C177 WeakPolarHBondContact CB-SG 3.35Å; C162-C177 WeakPolarHBondContact SG-CA 3.23Å; C162-C177 WeakPolarHBondContact SG-CB 3.19Å; C162-C177 CovalentContact SG-SG 2.02Å; C162-C177 PolarHBondContact SG-SG 2Å; C177-C179 PolarHBondContact O-N 3.19Å
178	E	67.6	Low	65.7	Low	198 Å²	198	82.9 Å²	82.9	93%	0.925	42%	0.415	S	S	*	.			trans	-83.7	106.1	166.8	-70.7	-170.9	165.6	0	0	108.5
179	C	62.6	Low	65.7	Low	35 Å²	35	83.5 Å²	83.5	24%	0.236	42%	0.421	C	S	.	.			trans	-70.5	136.9	-179.2	-49	0	0	0	0	111.1	C177 C191	C177-C179 PolarHBondContact O-N 3.19Å; C179-C191 WeakPolarHBondContact CA-SG 3.5Å; C179-C191 HydrophobicContact CB-CB 3.82Å; C179-C191 WeakPolarHBondContact CB-SG 3.48Å; C179-C191 WeakPolarHBondContact SG-CB 3.49Å; C179-C191 CovalentContact SG-SG 2.02Å; C179-C191 PolarHBondContact SG-SG 3.05Å
180	P	65.8	Low	66	Low	78 Å²	78	80.1 Å²	80.1	51%	0.506	40%	0.399	S	S	.	.			trans	-63.8	154.3	167.8	-5.3	17.2	0	0	0	111.5	E182 E183	P180-E182 PolarHBondContact O-N 3.21Å; P180-E183 PolarHBondContact O-N 2.96Å; P180-E183 VanDerWaalsContact O-N 3.13Å
181	D	57.7	Low	66.5	Low	176 Å²	176	78.2 Å²	78.2	94%	0.941	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-2.6	-174	-69.7	-43.2	0	0	0	116.5
182	E	63.8	Low	66.9	Low	164 Å²	164	74.7 Å²	74.7	77%	0.766	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	6.1	-177.6	-65.2	-89.8	164	0	0	113.1	P180 P194	P180-E182 PolarHBondContact O-N 3.21Å; E182-P194 WeakPolarHBondContact O-CD 3.46Å; E182-P194 WeakPolarHBondContact O-CG 3.15Å
183	E	71.3	Confident	66.9	Low	85 Å²	85	76.3 Å²	76.3	40%	0.397	39%	0.389	S	S	.	.	S	Bend	trans	-114.4	140.2	-178.7	-66.6	-177.5	177.6	0	0	111.9	P180 C191 L192	P180-E183 PolarHBondContact O-N 2.96Å; P180-E183 VanDerWaalsContact O-N 3.13Å; E183-C191 HydrophobicContact CB-CB 4.35Å; E183-C191 WeakPolarHBondContact OE2-CB 3.48Å; E183-L192 CarbonylContact C-O 3.58Å; E183-L192 WeakPolarHBondContact CA-O 3.16Å; E183-L192 WeakPolarHBondContact CB-O 3.43Å
184	F	71.1	Confident	66.8	Low	71 Å²	71	80 Å²	80	31%	0.311	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.1	176.2	177.2	-97.5	0	0	0	110.7	L192 V197 S208 D209	F184-L192 HydrophobicContact CB-CB 4.45Å; F184-L192 HydrophobicContact CD1-CB 4.4Å; F184-L192 HydrophobicContact CD1-CD1 4.38Å; F184-L192 PolarHBondContact N-O 3.23Å; F184-L192 PolarHBondContact O-N 3.47Å; F184-V197 HydrophobicContact CB-CG2 3.31Å; F184-V197 HydrophobicContact CD1-CG2 3.82Å; F184-V197 HydrophobicContact CD2-CG1 4.34Å; F184-V197 HydrophobicContact CD2-CG2 3.95Å; F184-V197 HydrophobicContact CE2-CG1 4.48Å; F184-V197 HydrophobicContact CG-CG2 3.42Å; F184-V197 VanDerWaalsContact CG-CG2 3.42Å; F184-S208 WeakPolarHBondContact CZ-O 3.4Å; F184-D209 HydrophobicContact CD1-CB 4.46Å; F184-D209 HydrophobicContact CE1-CB 4.05Å
185	R	73.5	Confident	66.3	Low	175 Å²	175	81.5 Å²	81.5	66%	0.66	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.2	179.7	-173.6	178.2	179.3	-167.9	0	110.5
186	C	73.6	Confident	66.3	Low	3 Å²	3	80.2 Å²	80.2	2%	0.02	41%	0.413	C	S	.	.			trans	-57.6	153.2	168.5	-85.5	0	0	0	0	113.5	T188 G189 R190 L192 C204	C186-T188 WeakPolarHBondContact CB-OG1 3.21Å; C186-T188 PolarHBondContact O-N 3.17Å; C186-G189 PolarHBondContact O-N 2.84Å; C186-R190 HydrophobicContact CB-CB 3.87Å; C186-R190 VanDerWaalsContact CB-O 3.24Å; C186-R190 WeakPolarHBondContact CB-O 3.41Å; C186-R190 PolarHBondContact N-O 3.46Å; C186-L192 WeakPolarHBondContact SG-CD1 3.46Å; C186-C204 WeakPolarHBondContact CA-SG 2.87Å; C186-C204 HydrophobicContact CB-CB 4.31Å; C186-C204 WeakPolarHBondContact CB-SG 3.34Å; C186-C204 WeakPolarHBondContact SG-CA 2.9Å; C186-C204 WeakPolarHBondContact SG-CB 3.37Å; C186-C204 CovalentContact SG-SG 2Å; C186-C204 PolarHBondContact SG-SG 2.88Å
187	N	68.8	Low	66.8	Low	141 Å²	141	73.4 Å²	73.4	75%	0.754	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.3	170.8	-67.6	-37.6	0	0	0	111.9	G189 D206 S208	N187-G189 PolarHBondContact O-N 3.43Å; N187-D206 WeakPolarHBondContact CB-OD2 3.32Å; N187-S208 WeakPolarHBondContact CB-OG 3.1Å; N187-S208 PolarHBondContact ND2-OG 3.19Å
188	T	62.3	Low	66.7	Low	68 Å²	68	74.9 Å²	74.9	42%	0.417	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-9.2	167.2	58.8	0	0	0	0	114.8	C186 C204 D206	C186-T188 WeakPolarHBondContact CB-OG1 3.21Å; C186-T188 PolarHBondContact O-N 3.17Å; T188-C204 PolarHBondContact OG1-O 3.12Å; T188-D206 HydrophobicContact CG2-CB 3.75Å; T188-D206 VanDerWaalsContact CG2-CG 3.46Å; T188-D206 WeakPolarHBondContact CG2-OD2 3.43Å; T188-D206 PolarHBondContact N-OD2 3.13Å; T188-D206 VanDerWaalsContact N-OD2 3.12Å
189	G	63.5	Low	66.2	Low	13 Å²	13	66.9 Å²	66.9	13%	0.134	36%	0.358	C	S	.	.	S	Bend	trans	90.9	0.5	-178.8	0	0	0	0	0	115.1	C186 N187	C186-G189 PolarHBondContact O-N 2.84Å; N187-G189 PolarHBondContact O-N 3.43Å
190	R	64.8	Low	65.9	Low	45 Å²	45	65.9 Å²	65.9	17%	0.17	35%	0.353	C	S	.	.			trans	-74.9	146.1	176	-176.9	170.8	171.7	-166.5	-16.3	112.6	W171 C186 L192 D203	W171-R190 VanDerWaalsContact CZ3-NE 3.34Å; C186-R190 HydrophobicContact CB-CB 3.87Å; C186-R190 VanDerWaalsContact CB-O 3.24Å; C186-R190 WeakPolarHBondContact CB-O 3.41Å; C186-R190 PolarHBondContact N-O 3.46Å; R190-L192 HydrophobicContact CG-CD2 4.43Å; R190-D203 PolarHBondContact NH1-O 2.92Å; R190-D203 PolarHBondContact NH2-O 3.11Å
191	C	70.5	Confident	65.4	Low	20 Å²	20	65.7 Å²	65.7	14%	0.135	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.4	174	-44.6	0	0	0	0	109.8	C179 E183	C179-C191 WeakPolarHBondContact CA-SG 3.5Å; C179-C191 HydrophobicContact CB-CB 3.82Å; C179-C191 WeakPolarHBondContact CB-SG 3.48Å; C179-C191 WeakPolarHBondContact SG-CB 3.49Å; C179-C191 CovalentContact SG-SG 2.02Å; C179-C191 PolarHBondContact SG-SG 3.05Å; E183-C191 HydrophobicContact CB-CB 4.35Å; E183-C191 WeakPolarHBondContact OE2-CB 3.48Å
192	L	67	Low	65.5	Low	4 Å²	4	60.6 Å²	60.6	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.9	177.2	-66.7	177.7	0	0	0	110.1	E183 F184 C186 R190 L196 D203 C204 D209	E183-L192 CarbonylContact C-O 3.58Å; E183-L192 WeakPolarHBondContact CA-O 3.16Å; E183-L192 WeakPolarHBondContact CB-O 3.43Å; F184-L192 HydrophobicContact CB-CB 4.45Å; F184-L192 HydrophobicContact CD1-CB 4.4Å; F184-L192 HydrophobicContact CD1-CD1 4.38Å; F184-L192 PolarHBondContact N-O 3.23Å; F184-L192 PolarHBondContact O-N 3.47Å; C186-L192 WeakPolarHBondContact SG-CD1 3.46Å; R190-L192 HydrophobicContact CG-CD2 4.43Å; L192-L196 HydrophobicContact CD2-CD1 4.27Å; L192-D203 HydrophobicContact CD1-CB 4.11Å; L192-D203 HydrophobicContact CD2-CB 4.05Å; L192-C204 HydrophobicContact CD1-CB 4.13Å; L192-D209 HydrophobicContact CD1-CB 3.73Å
193	S	65.9	Low	65.6	Low	52 Å²	52	53.6 Å²	53.6	36%	0.364	28%	0.284	S	S	.	.			trans	-68	146.4	171.7	-175.5	0	0	0	0	109.6	V195 L196	S193-V195 PolarHBondContact O-N 2.67Å; S193-L196 PolarHBondContact O-N 3.14Å
194	P	66.4	Low	65.5	Low	79 Å²	79	49.8 Å²	49.8	51%	0.513	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-15	175.2	-25.5	34	0	0	0	114.5	E182	E182-P194 WeakPolarHBondContact O-CD 3.46Å; E182-P194 WeakPolarHBondContact O-CG 3.15Å
195	V	63.7	Low	65	Low	40 Å²	40	49.3 Å²	49.3	24%	0.242	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-29.2	175.5	154.4	0	0	0	0	113.8	S193 R679	S193-V195 PolarHBondContact O-N 2.67Å; V195-R679 HydrophobicContact CB-CG 4.39Å; V195-R679 HydrophobicContact CG1-CB 4.22Å; V195-R679 HydrophobicContact CG1-CG 3.57Å; V195-R679 HydrophobicContact CG2-CG 3.95Å; V195-R679 PolarHBondContact O-NH1 2.95Å
196	L	63.9	Low	64.7	Low	37 Å²	37	43.6 Å²	43.6	19%	0.194	26%	0.264	C	S	.	.	S	Bend	trans	-99.1	2.6	-176.9	-58.9	175.8	0	0	0	111.5	L192 S193 D203	L192-L196 HydrophobicContact CD2-CD1 4.27Å; S193-L196 PolarHBondContact O-N 3.14Å; L196-D203 WeakPolarHBondContact CD2-OD2 3.33Å
197	V	71.7	Confident	64.3	Low	38 Å²	38	47.8 Å²	47.8	23%	0.23	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	126.2	170.6	-175.6	0	0	0	0	106	F184	F184-V197 HydrophobicContact CB-CG2 3.31Å; F184-V197 HydrophobicContact CD1-CG2 3.82Å; F184-V197 HydrophobicContact CD2-CG1 4.34Å; F184-V197 HydrophobicContact CD2-CG2 3.95Å; F184-V197 HydrophobicContact CE2-CG1 4.48Å; F184-V197 HydrophobicContact CG-CG2 3.42Å; F184-V197 VanDerWaalsContact CG-CG2 3.42Å
198	C	65	Low	64.5	Low	51 Å²	51	41.7 Å²	41.7	35%	0.345	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	45.9	179.2	-56.8	0	0	0	0	113.9	D209 E210 C213	C198-D209 PolarHBondContact N-O 2.89Å; C198-E210 WeakPolarHBondContact CA-OE1 3.46Å; C198-C213 WeakPolarHBondContact CA-SG 3.35Å; C198-C213 HydrophobicContact CB-CB 3.5Å; C198-C213 VanDerWaalsContact CB-CB 3.5Å; C198-C213 WeakPolarHBondContact CB-SG 3.23Å; C198-C213 WeakPolarHBondContact SG-CA 3.16Å; C198-C213 WeakPolarHBondContact SG-CB 3.35Å; C198-C213 CovalentContact SG-SG 2Å; C198-C213 PolarHBondContact SG-SG 3.17Å
199	D	58.5	Low	65	Low	30 Å²	30	38.6 Å²	38.6	16%	0.16	24%	0.235	C	C	.	.	S	Bend	trans	-105.5	5.6	176.4	91	-17.2	0	0	0	113.5	Y201 E210	D199-Y201 WeakPolarHBondContact O-CD2 3.45Å; D199-Y201 PolarHBondContact OD1-N 3.43Å; D199-E210 PolarHBondContact N-OE1 3.17Å
200	G	56.3	Low	65.6	Low	13 Å²	13	40.1 Å²	40.1	13%	0.134	24%	0.238	C	C	.	.	S	Bend	trans	90.5	7.3	175.7	0	0	0	0	0	113.7	E210	G200-E210 PolarHBondContact N-OE1 2.81Å; G200-E210 PolarHBondContact N-OE2 3.45Å
201	Y	54	Low	65.7	Low	75 Å²	75	44 Å²	44	29%	0.294	26%	0.262	S	S	.	.	S	Bend	trans	-128.1	142	-175.9	-62.2	-82.3	0	0	0	111.4	D199 D203 E210	D199-Y201 WeakPolarHBondContact O-CD2 3.45Å; D199-Y201 PolarHBondContact OD1-N 3.43Å; Y201-D203 PolarHBondContact O-N 2.95Å; Y201-E210 PolarHBondContact N-OE1 2.85Å; Y201-E210 VanDerWaalsContact N-OE1 3.16Å; Y201-E210 VanDerWaalsContact O-CG 3.29Å; Y201-E210 WeakPolarHBondContact O-CG 3.44Å
202	D	60.8	Low	65.4	Low	68 Å²	68	50.5 Å²	50.5	36%	0.364	30%	0.295	S	S	.	.			trans	-75.8	75.9	172.1	-172.3	8.1	0	0	0	110.2	C204 G205 D206 L207	D202-C204 PolarHBondContact O-N 3.36Å; D202-C204 PolarHBondContact OD1-N 3.12Å; D202-G205 VanDerWaalsContact OD1-CA 3.31Å; D202-G205 WeakPolarHBondContact OD1-CA 3Å; D202-G205 PolarHBondContact OD1-N 3.09Å; D202-G205 VanDerWaalsContact OD2-C 3.26Å; D202-G205 WeakPolarHBondContact OD2-CA 2.89Å; D202-D206 PolarHBondContact OD1-N 2.99Å; D202-D206 VanDerWaalsContact OD1-N 3.16Å; D202-D206 PolarHBondContact OD2-N 3.33Å; D202-L207 HydrophobicContact CB-CD2 3.59Å; D202-L207 HydrophobicContact CB-CG 4.2Å; D202-L207 VanDerWaalsContact CG-N 3.34Å; D202-L207 VanDerWaalsContact OD1-CA 3.31Å; D202-L207 WeakPolarHBondContact OD1-CA 3.09Å; D202-L207 PolarHBondContact OD1-N 2.8Å; D202-L207 PolarHBondContact OD2-N 2.04Å
203	D	66.3	Low	65.4	Low	18 Å²	18	52.7 Å²	52.7	10%	0.096	31%	0.31	C	S	.	.	S	Bend	trans	-74	-15.5	174.1	-74.7	-46.6	0	0	0	111	R190 L192 L196 Y201 D209 R687	R190-D203 PolarHBondContact NH1-O 2.92Å; R190-D203 PolarHBondContact NH2-O 3.11Å; L192-D203 HydrophobicContact CD1-CB 4.11Å; L192-D203 HydrophobicContact CD2-CB 4.05Å; L196-D203 WeakPolarHBondContact CD2-OD2 3.33Å; Y201-D203 PolarHBondContact O-N 2.95Å; D203-D209 VanDerWaalsContact CA-OD2 3.31Å; D203-D209 WeakPolarHBondContact CA-OD2 3.43Å; D203-D209 VanDerWaalsContact CB-OD2 3.23Å; D203-D209 WeakPolarHBondContact CB-OD2 3.46Å; D203-D209 PolarHBondContact N-OD2 2.81Å; D203-R687 IonicContact OD1-NH1 3.66Å
204	C	67.9	Low	64.9	Low	5 Å²	5	53.8 Å²	53.8	3%	0.034	33%	0.33	C	S	.	.	S	Bend	trans	-85.3	-23.4	-179.4	-157.2	0	0	0	0	114.4	C186 T188 L192 D202 D206 D209	C186-C204 WeakPolarHBondContact CA-SG 2.87Å; C186-C204 HydrophobicContact CB-CB 4.31Å; C186-C204 WeakPolarHBondContact CB-SG 3.34Å; C186-C204 WeakPolarHBondContact SG-CA 2.9Å; C186-C204 WeakPolarHBondContact SG-CB 3.37Å; C186-C204 CovalentContact SG-SG 2Å; C186-C204 PolarHBondContact SG-SG 2.88Å; T188-C204 PolarHBondContact OG1-O 3.12Å; L192-C204 HydrophobicContact CD1-CB 4.13Å; D202-C204 PolarHBondContact O-N 3.36Å; D202-C204 PolarHBondContact OD1-N 3.12Å; C204-D206 WeakPolarHBondContact CB-OD1 3.12Å; C204-D206 PolarHBondContact O-N 2.87Å; C204-D206 PolarHBondContact SG-OD1 3.41Å; C204-D209 HydrophobicContact CB-CB 4.22Å; C204-D209 WeakPolarHBondContact CB-OD1 3.33Å; C204-D209 PolarHBondContact N-OD2 3Å
205	G	60.1	Low	63.9	Low	60 Å²	60	58.5 Å²	58.5	62%	0.619	35%	0.345	S	S	*	.	S	Bend	trans	77.5	-2.2	-173.6	0	0	0	0	0	114.3	D202	D202-G205 VanDerWaalsContact OD1-CA 3.31Å; D202-G205 WeakPolarHBondContact OD1-CA 3Å; D202-G205 PolarHBondContact OD1-N 3.09Å; D202-G205 VanDerWaalsContact OD2-C 3.26Å; D202-G205 WeakPolarHBondContact OD2-CA 2.89Å
206	D	67.9	Low	63.1	Low	55 Å²	55	62.3 Å²	62.3	29%	0.294	36%	0.364	S	S	.	.	S	Bend	trans	-133.3	12.2	178	72.1	0	0	0	0	112.8	N187 T188 D202 C204 S208	N187-D206 WeakPolarHBondContact CB-OD2 3.32Å; T188-D206 HydrophobicContact CG2-CB 3.75Å; T188-D206 VanDerWaalsContact CG2-CG 3.46Å; T188-D206 WeakPolarHBondContact CG2-OD2 3.43Å; T188-D206 PolarHBondContact N-OD2 3.13Å; T188-D206 VanDerWaalsContact N-OD2 3.12Å; D202-D206 PolarHBondContact OD1-N 2.99Å; D202-D206 VanDerWaalsContact OD1-N 3.16Å; D202-D206 PolarHBondContact OD2-N 3.33Å; C204-D206 WeakPolarHBondContact CB-OD1 3.12Å; C204-D206 PolarHBondContact O-N 2.87Å; C204-D206 PolarHBondContact SG-OD1 3.41Å; D206-S208 PolarHBondContact O-N 3.05Å; D206-S208 WeakPolarHBondContact OD1-CB 3.09Å; D206-S208 PolarHBondContact OD1-N 2.99Å; D206-S208 PolarHBondContact OD1-OG 2.9Å; D206-S208 PolarHBondContact OD2-OG 2.96Å
207	L	64.5	Low	62.5	Low	92 Å²	92	67.9 Å²	67.9	48%	0.482	39%	0.393	S	S	.	.	S	Bend	trans	62.2	11	-177	-64.4	160.2	0	0	0	115.6	D202 D209 E210 L211	D202-L207 HydrophobicContact CB-CD2 3.59Å; D202-L207 HydrophobicContact CB-CG 4.2Å; D202-L207 VanDerWaalsContact CG-N 3.34Å; D202-L207 VanDerWaalsContact OD1-CA 3.31Å; D202-L207 WeakPolarHBondContact OD1-CA 3.09Å; D202-L207 PolarHBondContact OD1-N 2.8Å; D202-L207 PolarHBondContact OD2-N 2.04Å; L207-D209 PolarHBondContact O-N 3.4Å; L207-E210 PolarHBondContact O-N 1.99Å; L207-L211 HydrophobicContact CB-CD1 4.16Å; L207-L211 HydrophobicContact CB-CG 4.36Å; L207-L211 WeakPolarHBondContact O-CD1 3.29Å; L207-L211 VanDerWaalsContact O-CG 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.15Å; L207-L211 PolarHBondContact O-N 2.78Å
208	S	74.6	Confident	61.6	Low	13 Å²	13	69.6 Å²	69.6	9%	0.091	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.4	-174.8	-60.4	0	0	0	0	114	F184 N187 D206 E210	F184-S208 WeakPolarHBondContact CZ-O 3.4Å; N187-S208 WeakPolarHBondContact CB-OG 3.1Å; N187-S208 PolarHBondContact ND2-OG 3.19Å; D206-S208 PolarHBondContact O-N 3.05Å; D206-S208 WeakPolarHBondContact OD1-CB 3.09Å; D206-S208 PolarHBondContact OD1-N 2.99Å; D206-S208 PolarHBondContact OD1-OG 2.9Å; D206-S208 PolarHBondContact OD2-OG 2.96Å; S208-E210 VanDerWaalsContact C-N 3.3Å
209	D	71.8	Confident	60.9	Low	2 Å²	2	76.3 Å²	76.3	1%	0.011	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.3	176.3	53.2	-25.2	0	0	0	114.1	F184 L192 C198 D203 C204 L207	F184-D209 HydrophobicContact CD1-CB 4.46Å; F184-D209 HydrophobicContact CE1-CB 4.05Å; L192-D209 HydrophobicContact CD1-CB 3.73Å; C198-D209 PolarHBondContact N-O 2.89Å; D203-D209 VanDerWaalsContact CA-OD2 3.31Å; D203-D209 WeakPolarHBondContact CA-OD2 3.43Å; D203-D209 VanDerWaalsContact CB-OD2 3.23Å; D203-D209 WeakPolarHBondContact CB-OD2 3.46Å; D203-D209 PolarHBondContact N-OD2 2.81Å; C204-D209 HydrophobicContact CB-CB 4.22Å; C204-D209 WeakPolarHBondContact CB-OD1 3.33Å; C204-D209 PolarHBondContact N-OD2 3Å; L207-D209 PolarHBondContact O-N 3.4Å
210	E	76.5	Confident	60.9	Low	46 Å²	46	80.2 Å²	80.2	22%	0.215	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-7.7	-178.3	-65.2	-62.1	152.1	0	0	113	C198 D199 G200 Y201 L207 S208 N212 C213	C198-E210 WeakPolarHBondContact CA-OE1 3.46Å; D199-E210 PolarHBondContact N-OE1 3.17Å; G200-E210 PolarHBondContact N-OE1 2.81Å; G200-E210 PolarHBondContact N-OE2 3.45Å; Y201-E210 PolarHBondContact N-OE1 2.85Å; Y201-E210 VanDerWaalsContact N-OE1 3.16Å; Y201-E210 VanDerWaalsContact O-CG 3.29Å; Y201-E210 WeakPolarHBondContact O-CG 3.44Å; L207-E210 PolarHBondContact O-N 1.99Å; S208-E210 VanDerWaalsContact C-N 3.3Å; E210-N212 VanDerWaalsContact C-N 3.34Å; E210-N212 PolarHBondContact O-N 3.34Å; E210-C213 PolarHBondContact O-SG 2.97Å
211	L	67.3	Low	61.1	Low	126 Å²	126	82.5 Å²	82.5	66%	0.66	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	5.2	-170.6	-85.8	165.5	0	0	0	115.6	L207	L207-L211 HydrophobicContact CB-CD1 4.16Å; L207-L211 HydrophobicContact CB-CG 4.36Å; L207-L211 WeakPolarHBondContact O-CD1 3.29Å; L207-L211 VanDerWaalsContact O-CG 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.15Å; L207-L211 PolarHBondContact O-N 2.78Å
212	N	63.7	Low	61.5	Low	157 Å²	157	87.5 Å²	87.5	84%	0.84	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.9	47.3	180	-156.7	21.1	0	0	0	114.4	E210	E210-N212 VanDerWaalsContact C-N 3.34Å; E210-N212 PolarHBondContact O-N 3.34Å
213	C	66.4	Low	61.7	Low	49 Å²	49	84.6 Å²	84.6	33%	0.331	45%	0.452	S	S	.	.			trans	-84.2	121.4	-177.2	-54.9	0	0	0	0	111.4	C198 E210 E215	C198-C213 WeakPolarHBondContact CA-SG 3.35Å; C198-C213 HydrophobicContact CB-CB 3.5Å; C198-C213 VanDerWaalsContact CB-CB 3.5Å; C198-C213 WeakPolarHBondContact CB-SG 3.23Å; C198-C213 WeakPolarHBondContact SG-CA 3.16Å; C198-C213 WeakPolarHBondContact SG-CB 3.35Å; C198-C213 CovalentContact SG-SG 2Å; C198-C213 PolarHBondContact SG-SG 3.17Å; E210-C213 PolarHBondContact O-SG 2.97Å; C213-E215 PolarHBondContact O-N 2.88Å
214	G	55.8	Low	61.4	Low	76 Å²	76	86.9 Å²	86.9	78%	0.784	48%	0.481	S	S	*	.			trans	-60.1	131.1	178.4	0	0	0	0	0	111.6	D216	G214-D216 PolarHBondContact O-N 3.45Å
215	E	46.1	Very low	60.7	Low	177 Å²	177	92.4 Å²	92.4	83%	0.827	51%	0.51	S	S	*	.			trans	-58.8	114.1	-171.1	-60.3	-179.6	159.4	0	0	113.8	C213	C213-E215 PolarHBondContact O-N 2.88Å
216	D	46.3	Very low	60.5	Low	121 Å²	121	91 Å²	91	65%	0.647	50%	0.495	S	S	*	.			trans	-123.6	83.9	155.4	-167	-5.7	0	0	0	109.5	G214 S218	G214-D216 PolarHBondContact O-N 3.45Å; D216-S218 PolarHBondContact O-N 3.37Å; D216-S218 WeakPolarHBondContact OD1-CB 3.13Å; D216-S218 PolarHBondContact OD1-OG 2.88Å
217	L	50.8	Low	60	Low	154 Å²	154	93.8 Å²	93.8	81%	0.806	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	21.7	-176.8	-76.1	157.4	0	0	0	114.8
218	S	52.3	Low	59.7	Low	74 Å²	74	91.8 Å²	91.8	52%	0.517	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-10.2	-173.2	67.4	0	0	0	0	115.1	D216	D216-S218 PolarHBondContact O-N 3.37Å; D216-S218 WeakPolarHBondContact OD1-CB 3.13Å; D216-S218 PolarHBondContact OD1-OG 2.88Å
219	R	51.7	Low	58.9	Low	192 Å²	192	91.5 Å²	91.5	73%	0.725	49%	0.493	S	S	*	.	S	Bend	trans	-137.6	-7.2	-169.8	-70.7	-174.6	166.5	173	-2.7	118.4	R231	R219-R231 PolarHBondContact O-N 3.29Å
220	E	57.1	Low	58.2	Low	112 Å²	112	93.4 Å²	93.4	52%	0.523	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.4	-170.4	-67.3	168	-168.4	0	0	112	C228 V229	E220-C228 HydrophobicContact CB-CB 4.16Å; E220-C228 WeakPolarHBondContact OE2-CB 3.5Å; E220-V229 CarbonylContact C-O 3.32Å; E220-V229 VanDerWaalsContact CA-O 3.31Å; E220-V229 WeakPolarHBondContact CA-O 3.38Å
221	H	62.1	Low	57.2	Low	60 Å²	60	99.3 Å²	99.3	28%	0.278	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.6	172.7	172	83.7	0	0	0	110	C228 V229 I234	H221-C228 CarbonylContact O-C 3.54Å; H221-C228 WeakPolarHBondContact O-CA 3.27Å; H221-V229 HydrophobicContact CB-CG2 4.06Å; H221-V229 PolarHBondContact N-O 3.09Å; H221-V229 WeakPolarHBondContact O-CG2 3.5Å; H221-V229 PolarHBondContact O-N 3.23Å; H221-I234 HydrophobicContact CB-CD1 3.55Å; H221-I234 HydrophobicContact CB-CG1 3.99Å
222	R	61.6	Low	56.7	Low	181 Å²	181	99.7 Å²	99.7	68%	0.683	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.3	-177.7	-166.6	175.1	-178	-145.9	-2.8	110	G226 R227	R222-G226 PolarHBondContact NE-O 2.78Å; R222-R227 CarbonylContact C-O 3.56Å; R222-R227 WeakPolarHBondContact CA-O 2.89Å
223	C	64.6	Low	56.4	Low	6 Å²	6	96.4 Å²	96.4	4%	0.041	51%	0.505	C	S	.	.			trans	-59.7	159.8	171.8	-48.5	0	0	0	0	110.3	D225 G226 R227 C241	C223-D225 PolarHBondContact O-N 3.38Å; C223-D225 VanDerWaalsContact O-N 3.13Å; C223-G226 PolarHBondContact O-N 3.08Å; C223-R227 HydrophobicContact CB-CB 4.43Å; C223-R227 PolarHBondContact N-O 2.8Å; C223-C241 HydrophobicContact CB-CB 3.76Å; C223-C241 WeakPolarHBondContact CB-SG 3.44Å; C223-C241 WeakPolarHBondContact SG-CB 3.31Å; C223-C241 CovalentContact SG-SG 2.04Å; C223-C241 PolarHBondContact SG-SG 3.27Å
224	G	59.6	Low	56.2	Low	67 Å²	67	96.5 Å²	96.5	69%	0.691	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.1	-179.6	0	0	0	0	0	114.3	G226 D243	G224-G226 VanDerWaalsContact C-N 3.28Å; G224-G226 PolarHBondContact O-N 2.78Å; G224-D243 VanDerWaalsContact CA-OD2 3.31Å; G224-D243 WeakPolarHBondContact CA-OD2 3.32Å; G224-D243 PolarHBondContact N-OD2 3.33Å
225	D	54.5	Low	56.2	Low	121 Å²	121	93.5 Å²	93.5	65%	0.647	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	0.2	177.6	-64.7	-40.9	0	0	0	114.2	C223	C223-D225 PolarHBondContact O-N 3.38Å; C223-D225 VanDerWaalsContact O-N 3.13Å
226	G	56.3	Low	56.4	Low	30 Å²	30	87.6 Å²	87.6	31%	0.309	44%	0.443	S	S	.	.	S	Bend	trans	95	-3.4	174.9	0	0	0	0	0	115.7	R222 C223 G224	R222-G226 PolarHBondContact NE-O 2.78Å; C223-G226 PolarHBondContact O-N 3.08Å; G224-G226 VanDerWaalsContact C-N 3.28Å; G224-G226 PolarHBondContact O-N 2.78Å
227	R	56.2	Low	56.7	Low	114 Å²	114	84.1 Å²	84.1	43%	0.43	44%	0.435	S	S	.	.			trans	-72.2	143.1	173.8	-169.2	-179.4	-169.6	-174.9	3.8	111.7	R222 C223	R222-R227 CarbonylContact C-O 3.56Å; R222-R227 WeakPolarHBondContact CA-O 2.89Å; C223-R227 HydrophobicContact CB-CB 4.43Å; C223-R227 PolarHBondContact N-O 2.8Å
228	C	58.8	Low	56.7	Low	49 Å²	49	79.9 Å²	79.9	33%	0.331	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.7	175.7	-67.6	0	0	0	0	111	E220 H221	E220-C228 HydrophobicContact CB-CB 4.16Å; E220-C228 WeakPolarHBondContact OE2-CB 3.5Å; H221-C228 CarbonylContact O-C 3.54Å; H221-C228 WeakPolarHBondContact O-CA 3.27Å
229	V	58.3	Low	56.8	Low	8 Å²	8	81.9 Å²	81.9	5%	0.048	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.6	172.4	-66.6	0	0	0	0	110.4	E220 H221 D240	E220-V229 CarbonylContact C-O 3.32Å; E220-V229 VanDerWaalsContact CA-O 3.31Å; E220-V229 WeakPolarHBondContact CA-O 3.38Å; H221-V229 HydrophobicContact CB-CG2 4.06Å; H221-V229 PolarHBondContact N-O 3.09Å; H221-V229 WeakPolarHBondContact O-CG2 3.5Å; H221-V229 PolarHBondContact O-N 3.23Å; V229-D240 HydrophobicContact CG1-CB 4.27Å
230	S	55.9	Low	57.4	Low	42 Å²	42	74.8 Å²	74.8	29%	0.294	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	146.9	178.6	-177.7	0	0	0	0	110.9	D232 W233	S230-D232 PolarHBondContact O-N 3.39Å; S230-D232 VanDerWaalsContact O-N 3.15Å; S230-D232 PolarHBondContact OG-N 3.21Å; S230-W233 WeakPolarHBondContact O-CB 3.2Å; S230-W233 PolarHBondContact O-N 3.26Å
231	R	56.5	Low	57.7	Low	169 Å²	169	69.6 Å²	69.6	64%	0.638	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.4	172.3	-81.1	-175.9	69.4	100.1	4.4	114.5	R219 W233 I234	R219-R231 PolarHBondContact O-N 3.29Å; R231-W233 PolarHBondContact O-N 2.64Å; R231-I234 HydrophobicContact CB-CD1 4.23Å; R231-I234 HydrophobicContact CG-CD1 4.02Å
232	D	56	Low	57.6	Low	135 Å²	135	74.1 Å²	74.1	72%	0.722	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-75.3	-13	175.8	-63.2	-31.8	0	0	0	112.6	S230	S230-D232 PolarHBondContact O-N 3.39Å; S230-D232 VanDerWaalsContact O-N 3.15Å; S230-D232 PolarHBondContact OG-N 3.21Å
233	W	57.7	Low	57.6	Low	87 Å²	87	68.3 Å²	68.3	33%	0.33	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-106.5	25.8	-178.2	-60.2	9.7	0	0	0	110.1	S230 R231 D240	S230-W233 WeakPolarHBondContact O-CB 3.2Å; S230-W233 PolarHBondContact O-N 3.26Å; R231-W233 PolarHBondContact O-N 2.64Å; W233-D240 WeakPolarHBondContact CB-OD2 3.47Å; W233-D240 HydrophobicContact CE3-CB 4.07Å
234	I	62.1	Low	57.4	Low	52 Å²	52	73.1 Å²	73.1	27%	0.267	40%	0.395	S	S	.	.	S	Bend	trans	-106.9	120.5	172.2	-57.6	173	0	0	0	104.7	H221 R231	H221-I234 HydrophobicContact CB-CD1 3.55Å; H221-I234 HydrophobicContact CB-CG1 3.99Å; R231-I234 HydrophobicContact CB-CD1 4.23Å; R231-I234 HydrophobicContact CG-CD1 4.02Å
235	C	55.4	Low	57.7	Low	12 Å²	12	71.8 Å²	71.8	8%	0.081	38%	0.375	C	S	.	.	S	Bend	trans	61.5	41.8	-179.3	-48.7	0	0	0	0	113.2	D246 E247 C250 Q255	C235-D246 PolarHBondContact N-O 3.36Å; C235-E247 VanDerWaalsContact C-OE1 3.29Å; C235-E247 WeakPolarHBondContact CA-OE1 3.48Å; C235-E247 PolarHBondContact N-OE1 3.02Å; C235-E247 VanDerWaalsContact N-OE1 3.17Å; C235-C250 WeakPolarHBondContact CA-SG 3.31Å; C235-C250 HydrophobicContact CB-CB 3.47Å; C235-C250 VanDerWaalsContact CB-CB 3.47Å; C235-C250 WeakPolarHBondContact CB-SG 3.11Å; C235-C250 WeakPolarHBondContact SG-CA 3.06Å; C235-C250 WeakPolarHBondContact SG-CB 3.25Å; C235-C250 CovalentContact SG-SG 1.99Å; C235-C250 PolarHBondContact SG-SG 3.21Å; C235-Q255 HydrophobicContact CB-CG 4.33Å; C235-Q255 WeakPolarHBondContact O-CG 3.27Å
236	D	51.6	Low	58.2	Low	54 Å²	54	66.1 Å²	66.1	29%	0.289	34%	0.344	S	S	.	.	S	Bend	trans	-99.8	-0.9	173.8	76.5	-10.4	0	0	0	113.1	D238 E247	D236-D238 PolarHBondContact OD1-N 2.84Å; D236-E247 PolarHBondContact N-OE1 2.72Å
237	G	52.3	Low	58.9	Low	47 Å²	47	66.4 Å²	66.4	49%	0.485	34%	0.338	S	S	.	.	S	Bend	trans	94.7	-2.8	172.4	0	0	0	0	0	114.1	E247	G237-E247 PolarHBondContact N-OE1 3.47Å; G237-E247 PolarHBondContact N-OE2 2.79Å
238	D	49.6	Very low	59.1	Low	66 Å²	66	65.3 Å²	65.3	35%	0.353	34%	0.344	S	S	.	.	S	Bend	trans	-105.5	144	174.5	-73.6	-35	0	0	0	109.9	D236 D240 E247 N743	D236-D238 PolarHBondContact OD1-N 2.84Å; D238-D240 PolarHBondContact O-N 3.42Å; D238-E247 WeakPolarHBondContact O-CG 3.24Å; D238-N743 PolarHBondContact OD2-ND2 2.73Å
239	H	55.3	Low	59.2	Low	116 Å²	116	71 Å²	71	54%	0.537	37%	0.371	S	S	.	.			trans	-84.8	85.5	174.5	-57.7	141.4	0	0	0	109.8	K244	H239-K244 HydrophobicContact CB-CG 4.24Å; H239-K244 VanDerWaalsContact CE1-CE 3.4Å; H239-K244 WeakPolarHBondContact CE1-CE 3.05Å; H239-K244 PolarHBondContact CE1-NZ 2.76Å; H239-K244 WeakPolarHBondContact ND1-CE 3.41Å
240	D	63.3	Low	59.3	Low	43 Å²	43	72.6 Å²	72.6	23%	0.23	38%	0.382	C	S	.	.			trans	-78.7	-26.4	176.4	-72.4	-54.4	0	0	0	112.8	V229 W233 D238 D246	V229-D240 HydrophobicContact CG1-CB 4.27Å; W233-D240 WeakPolarHBondContact CB-OD2 3.47Å; W233-D240 HydrophobicContact CE3-CB 4.07Å; D238-D240 PolarHBondContact O-N 3.42Å; D240-D246 VanDerWaalsContact CA-OD2 3.25Å; D240-D246 WeakPolarHBondContact CA-OD2 3.05Å; D240-D246 VanDerWaalsContact CB-OD2 3.24Å; D240-D246 WeakPolarHBondContact CB-OD2 3.46Å; D240-D246 PolarHBondContact N-OD2 2.82Å
241	C	63.4	Low	59.5	Low	2 Å²	2	74.5 Å²	74.5	1%	0.014	40%	0.396	C	S	.	.	S	Bend	trans	-90.9	137.8	166	-60.7	0	0	0	0	111.8	C223 D243 K244 D246	C223-C241 HydrophobicContact CB-CB 3.76Å; C223-C241 WeakPolarHBondContact CB-SG 3.44Å; C223-C241 WeakPolarHBondContact SG-CB 3.31Å; C223-C241 CovalentContact SG-SG 2.04Å; C223-C241 PolarHBondContact SG-SG 3.27Å; C241-D243 WeakPolarHBondContact CB-OD1 3.25Å; C241-D243 PolarHBondContact O-N 3.08Å; C241-K244 PolarHBondContact O-N 3.11Å; C241-D246 HydrophobicContact CB-CB 4.33Å; C241-D246 VanDerWaalsContact CB-OD1 3.27Å; C241-D246 WeakPolarHBondContact CB-OD1 3.42Å; C241-D246 VanDerWaalsContact N-CG 3.34Å; C241-D246 PolarHBondContact N-OD1 2.81Å; C241-D246 PolarHBondContact N-OD2 2.9Å
242	L	60.4	Low	59.5	Low	155 Å²	155	66.8 Å²	66.8	81%	0.812	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.3	175.7	-83.9	150.9	0	0	0	113.1
243	D	61.3	Low	59.3	Low	59 Å²	59	71.2 Å²	71.2	32%	0.316	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.9	177	67.8	-7.2	0	0	0	113.4	G224 C241 S245	G224-D243 VanDerWaalsContact CA-OD2 3.31Å; G224-D243 WeakPolarHBondContact CA-OD2 3.32Å; G224-D243 PolarHBondContact N-OD2 3.33Å; C241-D243 WeakPolarHBondContact CB-OD1 3.25Å; C241-D243 PolarHBondContact O-N 3.08Å; D243-S245 PolarHBondContact O-N 3.12Å; D243-S245 WeakPolarHBondContact OD1-CB 3.2Å; D243-S245 PolarHBondContact OD1-N 3.33Å; D243-S245 PolarHBondContact OD1-OG 2.69Å; D243-S245 VanDerWaalsContact OD1-OG 3.13Å; D243-S245 WeakPolarHBondContact OD2-CB 3.33Å; D243-S245 PolarHBondContact OD2-OG 3.19Å
244	K	61.7	Low	58.9	Low	107 Å²	107	70.9 Å²	70.9	47%	0.465	39%	0.385	S	S	.	.			trans	60.2	18.3	-174.6	-48.4	179.1	175.5	-169.9	0	114.4	H239 C241 D246 E247 T248	H239-K244 HydrophobicContact CB-CG 4.24Å; H239-K244 VanDerWaalsContact CE1-CE 3.4Å; H239-K244 WeakPolarHBondContact CE1-CE 3.05Å; H239-K244 PolarHBondContact CE1-NZ 2.76Å; H239-K244 WeakPolarHBondContact ND1-CE 3.41Å; C241-K244 PolarHBondContact O-N 3.11Å; K244-D246 WeakPolarHBondContact CA-OD1 3.22Å; K244-D246 PolarHBondContact O-N 2.82Å; K244-E247 PolarHBondContact O-N 3.32Å; K244-E247 VanDerWaalsContact O-N 3.09Å; K244-T248 WeakPolarHBondContact O-CG2 3.45Å; K244-T248 PolarHBondContact O-N 3.49Å
245	S	65.4	Low	58.3	Low	40 Å²	40	71.6 Å²	71.6	28%	0.28	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-61.6	-29.9	-175.8	-77.2	0	0	0	0	113	D243 E247 T248	D243-S245 PolarHBondContact O-N 3.12Å; D243-S245 WeakPolarHBondContact OD1-CB 3.2Å; D243-S245 PolarHBondContact OD1-N 3.33Å; D243-S245 PolarHBondContact OD1-OG 2.69Å; D243-S245 VanDerWaalsContact OD1-OG 3.13Å; D243-S245 WeakPolarHBondContact OD2-CB 3.33Å; D243-S245 PolarHBondContact OD2-OG 3.19Å; S245-E247 VanDerWaalsContact C-N 3.29Å; S245-E247 PolarHBondContact O-N 3.47Å; S245-T248 PolarHBondContact O-N 3.16Å; S245-T248 PolarHBondContact O-OG1 2.74Å
246	D	65.6	Low	58.2	Low	1 Å²	1	73.8 Å²	73.8	1%	0.005	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-64.2	-24.4	174.6	55.1	-34	0	0	0	114.8	C235 D240 C241 K244	C235-D246 PolarHBondContact N-O 3.36Å; D240-D246 VanDerWaalsContact CA-OD2 3.25Å; D240-D246 WeakPolarHBondContact CA-OD2 3.05Å; D240-D246 VanDerWaalsContact CB-OD2 3.24Å; D240-D246 WeakPolarHBondContact CB-OD2 3.46Å; D240-D246 PolarHBondContact N-OD2 2.82Å; C241-D246 HydrophobicContact CB-CB 4.33Å; C241-D246 VanDerWaalsContact CB-OD1 3.27Å; C241-D246 WeakPolarHBondContact CB-OD1 3.42Å; C241-D246 VanDerWaalsContact N-CG 3.34Å; C241-D246 PolarHBondContact N-OD1 2.81Å; C241-D246 PolarHBondContact N-OD2 2.9Å; K244-D246 WeakPolarHBondContact CA-OD1 3.22Å; K244-D246 PolarHBondContact O-N 2.82Å
247	E	69.4	Low	58.6	Low	37 Å²	37	73.9 Å²	73.9	17%	0.173	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-108.1	4.5	-179.9	-70.6	-61.5	138.2	0	0	113.2	C235 D236 G237 D238 K244 S245	C235-E247 VanDerWaalsContact C-OE1 3.29Å; C235-E247 WeakPolarHBondContact CA-OE1 3.48Å; C235-E247 PolarHBondContact N-OE1 3.02Å; C235-E247 VanDerWaalsContact N-OE1 3.17Å; D236-E247 PolarHBondContact N-OE1 2.72Å; G237-E247 PolarHBondContact N-OE1 3.47Å; G237-E247 PolarHBondContact N-OE2 2.79Å; D238-E247 WeakPolarHBondContact O-CG 3.24Å; K244-E247 PolarHBondContact O-N 3.32Å; K244-E247 VanDerWaalsContact O-N 3.09Å; S245-E247 VanDerWaalsContact C-N 3.29Å; S245-E247 PolarHBondContact O-N 3.47Å
248	T	61.1	Low	59.1	Low	90 Å²	90	74.5 Å²	74.5	55%	0.552	40%	0.404	S	S	*	.	S	Bend	trans	-96.8	130.9	176.1	60.5	0	0	0	0	110.5	K244 S245	K244-T248 WeakPolarHBondContact O-CG2 3.45Å; K244-T248 PolarHBondContact O-N 3.49Å; S245-T248 PolarHBondContact O-N 3.16Å; S245-T248 PolarHBondContact O-OG1 2.74Å
249	N	61.2	Low	59.7	Low	169 Å²	169	77.4 Å²	77.4	90%	0.904	42%	0.416	S	S	*	.	S	Bend	trans	76.4	41.4	179.4	-159.9	29.3	0	0	0	115.9
250	C	61.3	Low	60.4	Low	41 Å²	41	72.2 Å²	72.2	28%	0.277	39%	0.392	S	S	.	.			trans	-90.1	141.6	177.8	-60.5	0	0	0	0	113.1	C235	C235-C250 WeakPolarHBondContact CA-SG 3.31Å; C235-C250 HydrophobicContact CB-CB 3.47Å; C235-C250 VanDerWaalsContact CB-CB 3.47Å; C235-C250 WeakPolarHBondContact CB-SG 3.11Å; C235-C250 WeakPolarHBondContact SG-CA 3.06Å; C235-C250 WeakPolarHBondContact SG-CB 3.25Å; C235-C250 CovalentContact SG-SG 1.99Å; C235-C250 PolarHBondContact SG-SG 3.21Å
251	S	59.7	Low	60.6	Low	83 Å²	83	80.5 Å²	80.5	58%	0.58	42%	0.42	S	S	*	.			trans	-93.7	135	171.1	-60.7	0	0	0	0	109.7	R253 S254	S251-R253 PolarHBondContact O-N 2.9Å; S251-S254 PolarHBondContact O-N 2.69Å; S251-S254 PolarHBondContact O-OG 2Å
252	C	56.6	Low	60.4	Low	7 Å²	7	84.2 Å²	84.2	5%	0.047	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-51.3	-29	-176.6	-62.4	0	0	0	0	113.8	S254 Q255 L257 E259 C265	C252-S254 PolarHBondContact O-N 2.92Å; C252-Q255 PolarHBondContact O-N 3.49Å; C252-L257 CarbonylContact C-O 3.48Å; C252-L257 PolarHBondContact O-N 3.47Å; C252-L257 VanDerWaalsContact O-O 3.12Å; C252-E259 HydrophobicContact CB-CB 3.88Å; C252-E259 HydrophobicContact CB-CG 4.35Å; C252-C265 HydrophobicContact CB-CB 3.81Å; C252-C265 WeakPolarHBondContact CB-SG 3.44Å; C252-C265 WeakPolarHBondContact SG-CB 3.04Å; C252-C265 CovalentContact SG-SG 2.03Å; C252-C265 PolarHBondContact SG-SG 3.23Å
253	R	50.6	Low	60.6	Low	228 Å²	228	78.8 Å²	78.8	86%	0.86	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-69.6	-25.3	-179.1	-163.9	163.1	-174.6	164.1	1.6	114.7	S251 Q255	S251-R253 PolarHBondContact O-N 2.9Å; R253-Q255 VanDerWaalsContact C-N 3.33Å
254	S	48.7	Very low	60.6	Low	79 Å²	79	79.5 Å²	79.5	55%	0.552	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-78	-20.2	176.1	52.7	0	0	0	0	112.9	S251 C252	S251-S254 PolarHBondContact O-N 2.69Å; S251-S254 PolarHBondContact O-OG 2Å; C252-S254 PolarHBondContact O-N 2.92Å
255	Q	51.3	Low	61	Low	67 Å²	67	76.6 Å²	76.6	31%	0.313	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-89.5	-1.3	175.6	-72.2	169.8	-20.5	0	0	113.1	C235 C252 R253 L257	C235-Q255 HydrophobicContact CB-CG 4.33Å; C235-Q255 WeakPolarHBondContact O-CG 3.27Å; C252-Q255 PolarHBondContact O-N 3.49Å; R253-Q255 VanDerWaalsContact C-N 3.33Å; Q255-L257 HydrophobicContact CB-CD1 3.92Å; Q255-L257 WeakPolarHBondContact O-CD1 3.41Å; Q255-L257 PolarHBondContact O-N 2.84Å
256	G	52.8	Low	60.9	Low	59 Å²	59	75.2 Å²	75.2	61%	0.608	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	9.8	-175.9	0	0	0	0	0	114.4
257	L	60.5	Low	61	Low	55 Å²	55	77.9 Å²	77.9	29%	0.288	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-92.5	155	176.3	-79.9	72	0	0	0	110.9	C252 Q255 C265	C252-L257 CarbonylContact C-O 3.48Å; C252-L257 PolarHBondContact O-N 3.47Å; C252-L257 VanDerWaalsContact O-O 3.12Å; Q255-L257 HydrophobicContact CB-CD1 3.92Å; Q255-L257 WeakPolarHBondContact O-CD1 3.41Å; Q255-L257 PolarHBondContact O-N 2.84Å; L257-C265 HydrophobicContact CB-CB 3.91Å; L257-C265 HydrophobicContact CD2-CB 3.74Å; L257-C265 HydrophobicContact CG-CB 4.49Å
258	L	61.9	Low	60.5	Low	61 Å²	61	80.2 Å²	80.2	32%	0.319	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.8	175	-149.2	106.3	0	0	0	109.3	C265 V266	L258-C265 WeakPolarHBondContact O-CA 3.34Å; L258-V266 PolarHBondContact N-O 2.84Å; L258-V266 PolarHBondContact O-N 2.83Å
259	E	63.1	Low	60.6	Low	127 Å²	127	79.4 Å²	79.4	59%	0.593	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.5	177.8	-170.1	175.3	174.1	0	0	109.7	C252	C252-E259 HydrophobicContact CB-CB 3.88Å; C252-E259 HydrophobicContact CB-CG 4.35Å
260	C	68.8	Low	60.7	Low	7 Å²	7	75.3 Å²	75.3	5%	0.047	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-75.2	164.7	171.1	-79.2	0	0	0	0	111.7	N262 G263 Q264 C278	C260-N262 WeakPolarHBondContact CB-OD1 3.37Å; C260-N262 PolarHBondContact O-N 3.45Å; C260-N262 VanDerWaalsContact O-N 3.17Å; C260-G263 PolarHBondContact O-N 3.19Å; C260-Q264 WeakPolarHBondContact CB-O 3Å; C260-Q264 PolarHBondContact N-O 2.81Å; C260-C278 HydrophobicContact CB-CB 3.72Å; C260-C278 WeakPolarHBondContact CB-SG 3.43Å; C260-C278 WeakPolarHBondContact SG-CB 3.16Å; C260-C278 CovalentContact SG-SG 1.99Å; C260-C278 PolarHBondContact SG-SG 2.77Å
261	R	68.6	Low	60.8	Low	217 Å²	217	79 Å²	79	82%	0.819	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.2	-172.5	-162.3	-179.8	-143.9	170.9	9.2	112.9	G263 S282	R261-G263 VanDerWaalsContact C-N 3.32Å; R261-S282 WeakPolarHBondContact CB-OG 3.44Å
262	N	59.3	Low	61	Low	79 Å²	79	77.7 Å²	77.7	42%	0.422	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.1	174.3	63.9	5.7	0	0	0	114.5	C260 Q264 C278 D280	C260-N262 WeakPolarHBondContact CB-OD1 3.37Å; C260-N262 PolarHBondContact O-N 3.45Å; C260-N262 VanDerWaalsContact O-N 3.17Å; N262-Q264 WeakPolarHBondContact OD1-CB 3.43Å; N262-Q264 PolarHBondContact OD1-N 2.78Å; N262-C278 PolarHBondContact ND2-O 3.05Å; N262-D280 WeakPolarHBondContact CB-OD2 3.38Å; N262-D280 VanDerWaalsContact CG-OD2 3.27Å; N262-D280 PolarHBondContact N-OD2 2.93Å; N262-D280 PolarHBondContact ND2-OD2 3.31Å
263	G	63.1	Low	61.2	Low	42 Å²	42	80.8 Å²	80.8	43%	0.433	43%	0.434	S	S	.	.	S	Bend	trans	82.4	8.2	-177.2	0	0	0	0	0	114.5	C260 R261	C260-G263 PolarHBondContact O-N 3.19Å; R261-G263 VanDerWaalsContact C-N 3.32Å
264	Q	62.9	Low	61.7	Low	74 Å²	74	72.8 Å²	72.8	35%	0.346	42%	0.423	S	S	.	.			trans	-78.9	133.4	172.2	-168.6	176.8	-28.1	0	0	109.8	C260 N262	C260-Q264 WeakPolarHBondContact CB-O 3Å; C260-Q264 PolarHBondContact N-O 2.81Å; N262-Q264 WeakPolarHBondContact OD1-CB 3.43Å; N262-Q264 PolarHBondContact OD1-N 2.78Å
265	C	68.4	Low	62.4	Low	46 Å²	46	75.5 Å²	75.5	31%	0.311	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.5	176.9	-44.5	0	0	0	0	109.9	C252 L257 L258	C252-C265 HydrophobicContact CB-CB 3.81Å; C252-C265 WeakPolarHBondContact CB-SG 3.44Å; C252-C265 WeakPolarHBondContact SG-CB 3.04Å; C252-C265 CovalentContact SG-SG 2.03Å; C252-C265 PolarHBondContact SG-SG 3.23Å; L257-C265 HydrophobicContact CB-CB 3.91Å; L257-C265 HydrophobicContact CD2-CB 3.74Å; L257-C265 HydrophobicContact CG-CB 4.49Å; L258-C265 WeakPolarHBondContact O-CA 3.34Å
266	V	65.1	Low	63.1	Low	10 Å²	10	76.6 Å²	76.6	6%	0.061	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.3	173.7	-73.5	0	0	0	0	111.8	L258 D277 C278	L258-V266 PolarHBondContact N-O 2.84Å; L258-V266 PolarHBondContact O-N 2.83Å; V266-D277 HydrophobicContact CG1-CB 4.41Å; V266-C278 WeakPolarHBondContact CG1-SG 3.34Å; V266-C278 WeakPolarHBondContact CG2-SG 3.15Å
267	P	66.6	Low	64	Low	57 Å²	57	76.2 Å²	76.2	37%	0.37	42%	0.419	S	S	.	.			trans	-62.4	146.4	176.3	-19.8	29.4	0	0	0	112.6	A269 F270	P267-A269 PolarHBondContact O-N 3.48Å; P267-F270 HydrophobicContact CB-CD2 3.68Å; P267-F270 HydrophobicContact CB-CE2 3.99Å; P267-F270 HydrophobicContact CG-CD2 3.69Å; P267-F270 HydrophobicContact CG-CE2 3.78Å; P267-F270 PolarHBondContact O-N 3.1Å
268	S	59.6	Low	64.3	Low	87 Å²	87	73.6 Å²	73.6	61%	0.608	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.8	-175	61.3	0	0	0	0	115.6
269	A	62	Low	64.5	Low	73 Å²	73	79 Å²	79	60%	0.603	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-28.4	174.1	0	0	0	0	0	112.3	P267 R271	P267-A269 PolarHBondContact O-N 3.48Å; A269-R271 PolarHBondContact O-N 3.21Å
270	F	64.1	Low	64.8	Low	83 Å²	83	75.8 Å²	75.8	36%	0.364	41%	0.413	S	S	.	.	S	Bend	trans	-89.9	43.3	178.6	-59.5	-72.9	0	0	0	110.9	P267 D273 D277 D283	P267-F270 HydrophobicContact CB-CD2 3.68Å; P267-F270 HydrophobicContact CB-CE2 3.99Å; P267-F270 HydrophobicContact CG-CD2 3.69Å; P267-F270 HydrophobicContact CG-CE2 3.78Å; P267-F270 PolarHBondContact O-N 3.1Å; F270-D273 VanDerWaalsContact CD1-OD2 3.27Å; F270-D273 WeakPolarHBondContact CD1-OD2 3.37Å; F270-D277 HydrophobicContact CB-CB 4.11Å; F270-D277 WeakPolarHBondContact CB-OD2 2.97Å; F270-D277 VanDerWaalsContact CD1-OD2 3.31Å; F270-D277 WeakPolarHBondContact CD1-OD2 2.94Å; F270-D283 WeakPolarHBondContact O-CB 3.33Å
271	R	63.6	Low	64.6	Low	119 Å²	119	76.2 Å²	76.2	45%	0.449	42%	0.419	S	S	.	.	S	Bend	trans	-128.3	115.8	175.9	-172.2	-171.5	-179	-174.9	0.6	106.6	A269 D273 D283	A269-R271 PolarHBondContact O-N 3.21Å; R271-D273 VanDerWaalsContact C-N 3.28Å; R271-D283 WeakPolarHBondContact CG-O 3.19Å
272	C	62.7	Low	64.8	Low	54 Å²	54	67.2 Å²	67.2	37%	0.365	39%	0.39	S	S	.	.	S	Bend	trans	65	31.3	-176.9	-50	0	0	0	0	113.3	D283 E284 C287	C272-D283 PolarHBondContact N-O 2.86Å; C272-D283 VanDerWaalsContact N-O 3.15Å; C272-E284 VanDerWaalsContact C-OE1 3.28Å; C272-E284 WeakPolarHBondContact CA-OE1 3.5Å; C272-E284 PolarHBondContact N-OE1 3.25Å; C272-C287 WeakPolarHBondContact CA-SG 2.95Å; C272-C287 HydrophobicContact CB-CB 3.6Å; C272-C287 WeakPolarHBondContact CB-SG 2.88Å; C272-C287 WeakPolarHBondContact SG-CA 3.06Å; C272-C287 WeakPolarHBondContact SG-CB 3.5Å; C272-C287 CovalentContact SG-SG 2Å; C272-C287 PolarHBondContact SG-SG 2.8Å
273	D	62.3	Low	65.4	Low	72 Å²	72	63.5 Å²	63.5	39%	0.385	37%	0.37	S	S	.	.	S	Bend	trans	-94	-7.1	175.9	72.3	-10	0	0	0	112.7	F270 R271 E275 E284	F270-D273 VanDerWaalsContact CD1-OD2 3.27Å; F270-D273 WeakPolarHBondContact CD1-OD2 3.37Å; R271-D273 VanDerWaalsContact C-N 3.28Å; D273-E275 PolarHBondContact OD1-N 2.86Å; D273-E284 PolarHBondContact N-OE1 2.61Å
274	G	59.6	Low	66	Low	61 Å²	61	64.4 Å²	64.4	63%	0.629	36%	0.362	S	S	*	.	S	Bend	trans	93.7	6	171.8	0	0	0	0	0	114.3	E284	G274-E284 WeakPolarHBondContact CA-OE2 3.49Å; G274-E284 VanDerWaalsContact N-CD 3.31Å; G274-E284 PolarHBondContact N-OE1 3.13Å; G274-E284 PolarHBondContact N-OE2 2.87Å
275	E	63.3	Low	66.1	Low	135 Å²	135	66.3 Å²	66.3	63%	0.631	37%	0.371	S	S	*	.	S	Bend	trans	-110.8	151.2	170.1	-60.9	-166.1	168.1	0	0	109.9	D273 D277 E284	D273-E275 PolarHBondContact OD1-N 2.86Å; E275-D277 PolarHBondContact O-N 3.16Å; E275-E284 VanDerWaalsContact O-CG 3.25Å; E275-E284 WeakPolarHBondContact O-CG 3.28Å
276	D	66.6	Low	65.7	Low	91 Å²	91	72.2 Å²	72.2	49%	0.487	39%	0.394	S	S	.	.			trans	-93.6	87.6	179.1	175.4	13.9	0	0	0	109	K279 D280 G281	D276-K279 VanDerWaalsContact OD1-CA 3.25Å; D276-K279 WeakPolarHBondContact OD1-CA 3.37Å; D276-K279 PolarHBondContact OD1-N 3.09Å; D276-D280 PolarHBondContact OD1-N 2.9Å; D276-G281 VanDerWaalsContact OD1-CA 3.28Å; D276-G281 WeakPolarHBondContact OD1-CA 3.38Å; D276-G281 PolarHBondContact OD1-N 3.08Å
277	D	71.7	Confident	65.6	Low	50 Å²	50	74.5 Å²	74.5	27%	0.267	41%	0.41	S	S	.	.	S	Bend	trans	-86.3	-24.4	-177.4	-68.9	-66.9	0	0	0	112.2	V266 F270 E275 K279 D283	V266-D277 HydrophobicContact CG1-CB 4.41Å; F270-D277 HydrophobicContact CB-CB 4.11Å; F270-D277 WeakPolarHBondContact CB-OD2 2.97Å; F270-D277 VanDerWaalsContact CD1-OD2 3.31Å; F270-D277 WeakPolarHBondContact CD1-OD2 2.94Å; E275-D277 PolarHBondContact O-N 3.16Å; D277-K279 VanDerWaalsContact C-N 3.34Å; D277-D283 WeakPolarHBondContact CA-OD2 3.05Å; D277-D283 VanDerWaalsContact CB-OD2 3.32Å; D277-D283 WeakPolarHBondContact CB-OD2 3.08Å; D277-D283 PolarHBondContact N-OD2 2.88Å
278	C	67.2	Low	65.1	Low	0 Å²	0	76.1 Å²	76.1	0%	0	42%	0.423	C	S	.	.	S	Bend	trans	-85.2	-1.4	175.3	-86.5	0	0	0	0	115.4	C260 N262 V266 D280 D283	C260-C278 HydrophobicContact CB-CB 3.72Å; C260-C278 WeakPolarHBondContact CB-SG 3.43Å; C260-C278 WeakPolarHBondContact SG-CB 3.16Å; C260-C278 CovalentContact SG-SG 1.99Å; C260-C278 PolarHBondContact SG-SG 2.77Å; N262-C278 PolarHBondContact ND2-O 3.05Å; V266-C278 WeakPolarHBondContact CG1-SG 3.34Å; V266-C278 WeakPolarHBondContact CG2-SG 3.15Å; C278-D280 WeakPolarHBondContact CB-OD1 3.48Å; C278-D280 PolarHBondContact O-N 3.37Å; C278-D283 HydrophobicContact CB-CB 4.31Å; C278-D283 PolarHBondContact N-OD2 3.39Å; C278-D283 VanDerWaalsContact N-OD2 3.17Å
279	K	65.4	Low	64.7	Low	174 Å²	174	83.9 Å²	83.9	76%	0.757	44%	0.439	S	S	*	.	S	Bend	trans	58.2	-9	-177.9	-61.2	-179.9	177.9	173.7	0	115	D276 D277	D276-K279 VanDerWaalsContact OD1-CA 3.25Å; D276-K279 WeakPolarHBondContact OD1-CA 3.37Å; D276-K279 PolarHBondContact OD1-N 3.09Å; D277-K279 VanDerWaalsContact C-N 3.34Å
280	D	69.1	Low	64	Low	60 Å²	60	89.2 Å²	89.2	32%	0.321	45%	0.451	S	S	.	.	S	Bend	trans	-111.8	1.2	174.1	73.9	-1.7	0	0	0	111.6	N262 D276 C278 S282	N262-D280 WeakPolarHBondContact CB-OD2 3.38Å; N262-D280 VanDerWaalsContact CG-OD2 3.27Å; N262-D280 PolarHBondContact N-OD2 2.93Å; N262-D280 PolarHBondContact ND2-OD2 3.31Å; D276-D280 PolarHBondContact OD1-N 2.9Å; C278-D280 WeakPolarHBondContact CB-OD1 3.48Å; C278-D280 PolarHBondContact O-N 3.37Å; D280-S282 PolarHBondContact O-N 2.87Å; D280-S282 WeakPolarHBondContact OD1-CB 3.45Å; D280-S282 PolarHBondContact OD1-N 2.97Å; D280-S282 PolarHBondContact OD1-OG 3.45Å; D280-S282 PolarHBondContact OD2-OG 2.03Å
281	G	65.9	Low	63.1	Low	17 Å²	17	94 Å²	94	18%	0.175	47%	0.474	C	S	.	.	S	Bend	trans	67.9	9.3	179.8	0	0	0	0	0	115.6	D276 D283 E284 E285	D276-G281 VanDerWaalsContact OD1-CA 3.28Å; D276-G281 WeakPolarHBondContact OD1-CA 3.38Å; D276-G281 PolarHBondContact OD1-N 3.08Å; G281-D283 VanDerWaalsContact C-OD1 3.25Å; G281-D283 PolarHBondContact O-N 2.95Å; G281-E284 PolarHBondContact O-N 3.24Å; G281-E285 PolarHBondContact O-N 2.96Å
282	S	72.9	Confident	61.9	Low	28 Å²	28	95.3 Å²	95.3	20%	0.196	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26	-174.6	-62.5	0	0	0	0	113.8	R261 D280 E284	R261-S282 WeakPolarHBondContact CB-OG 3.44Å; D280-S282 PolarHBondContact O-N 2.87Å; D280-S282 WeakPolarHBondContact OD1-CB 3.45Å; D280-S282 PolarHBondContact OD1-N 2.97Å; D280-S282 PolarHBondContact OD1-OG 3.45Å; D280-S282 PolarHBondContact OD2-OG 2.03Å; S282-E284 VanDerWaalsContact C-N 3.34Å
283	D	71.6	Confident	60.9	Low	1 Å²	1	99.4 Å²	99.4	1%	0.005	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.8	176.4	50.6	-30	0	0	0	113.4	F270 R271 C272 D277 C278 G281	F270-D283 WeakPolarHBondContact O-CB 3.33Å; R271-D283 WeakPolarHBondContact CG-O 3.19Å; C272-D283 PolarHBondContact N-O 2.86Å; C272-D283 VanDerWaalsContact N-O 3.15Å; D277-D283 WeakPolarHBondContact CA-OD2 3.05Å; D277-D283 VanDerWaalsContact CB-OD2 3.32Å; D277-D283 WeakPolarHBondContact CB-OD2 3.08Å; D277-D283 PolarHBondContact N-OD2 2.88Å; C278-D283 HydrophobicContact CB-CB 4.31Å; C278-D283 PolarHBondContact N-OD2 3.39Å; C278-D283 VanDerWaalsContact N-OD2 3.17Å; G281-D283 VanDerWaalsContact C-OD1 3.25Å; G281-D283 PolarHBondContact O-N 2.95Å
284	E	75.9	Confident	59.8	Low	60 Å²	60	99.4 Å²	99.4	28%	0.28	53%	0.533	S	S	.	.	S	Bend	trans	-98	-0.2	178.6	-68.3	-59.7	126.6	0	0	113.4	C272 D273 G274 E275 G281 S282	C272-E284 VanDerWaalsContact C-OE1 3.28Å; C272-E284 WeakPolarHBondContact CA-OE1 3.5Å; C272-E284 PolarHBondContact N-OE1 3.25Å; D273-E284 PolarHBondContact N-OE1 2.61Å; G274-E284 WeakPolarHBondContact CA-OE2 3.49Å; G274-E284 VanDerWaalsContact N-CD 3.31Å; G274-E284 PolarHBondContact N-OE1 3.13Å; G274-E284 PolarHBondContact N-OE2 2.87Å; E275-E284 VanDerWaalsContact O-CG 3.25Å; E275-E284 WeakPolarHBondContact O-CG 3.28Å; G281-E284 PolarHBondContact O-N 3.24Å; S282-E284 VanDerWaalsContact C-N 3.34Å
285	E	65	Low	58.6	Low	115 Å²	115	99.8 Å²	99.8	54%	0.537	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	134.6	176.7	-72.3	-172.7	172.7	0	0	112	G281	G281-E285 PolarHBondContact O-N 2.96Å
286	H	59.2	Low	57.1	Low	170 Å²	170	99.7 Å²	99.7	79%	0.787	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	36.9	174	-153.4	-70.2	0	0	0	116.2
287	C	64	Low	55.4	Low	58 Å²	58	103.5 Å²	103.5	39%	0.392	57%	0.569	S	S	.	*			trans	-77.1	118.2	173.4	-53.8	0	0	0	0	112.3	C272	C272-C287 WeakPolarHBondContact CA-SG 2.95Å; C272-C287 HydrophobicContact CB-CB 3.6Å; C272-C287 WeakPolarHBondContact CB-SG 2.88Å; C272-C287 WeakPolarHBondContact SG-CA 3.06Å; C272-C287 WeakPolarHBondContact SG-CB 3.5Å; C272-C287 CovalentContact SG-SG 2Å; C272-C287 PolarHBondContact SG-SG 2.8Å
288	S	56.2	Low	53.6	Low	91 Å²	91	107 Å²	107	64%	0.636	60%	0.595	S	S	*	*			trans	-84.1	127.8	175.8	-61.8	0	0	0	0	110.2	E290	S288-E290 PolarHBondContact O-N 3.27Å
289	R	51.1	Low	51.8	Low	250 Å²	250	111.4 Å²	111.4	94%	0.943	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	31.6	-169.6	-151.7	-178	75.4	176.9	3.5	116.1
290	E	47.2	Very low	50.1	Low	184 Å²	184	112.1 Å²	112.1	86%	0.86	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.3	10.7	-174.8	-69.7	-170.4	163.7	0	0	115.7	S288	S288-E290 PolarHBondContact O-N 3.27Å
291	Q	44.3	Very low	48.5	Very low	184 Å²	184	115.4 Å²	115.4	86%	0.86	66%	0.662	S	S	*	*			trans	-117	76.8	170.7	-72.7	-179.5	51.2	0	0	110.6
292	N	39	Very low	46.8	Very low	147 Å²	147	118 Å²	118	79%	0.786	69%	0.689	S	S	*	*			trans	-145.9	98.8	169.6	-142.9	-16.5	0	0	0	108.5	G294	N292-G294 VanDerWaalsContact C-N 3.34Å; N292-G294 PolarHBondContact O-N 2.69Å
293	P	41.1	Very low	44.5	Very low	140 Å²	140	123.2 Å²	123.2	91%	0.909	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	78.4	170.8	32.4	-26.8	0	0	0	109.1
294	G	38.9	Very low	42.3	Very low	72 Å²	72	128.8 Å²	128.8	74%	0.742	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165	1	176	0	0	0	0	0	116.8	N292	N292-G294 VanDerWaalsContact C-N 3.34Å; N292-G294 PolarHBondContact O-N 2.69Å
295	G	34.7	Very low	40.1	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-103.7	117	178.4	0	0	0	0	0	112.8
296	C	31.7	Very low	38.5	Very low	132 Å²	132	131.5 Å²	131.5	89%	0.892	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.8	138.8	173.2	-70.5	0	0	0	0	112.9
297	L	30.8	Very low	37.2	Very low	171 Å²	171	128.6 Å²	128.6	90%	0.895	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-67.3	141.9	173.3	-75.7	162.5	0	0	0	112.1
298	P	34.8	Very low	35.4	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-95.4	129.1	-176.7	34.5	-29.9	0	0	0	113.2
299	A	29.5	Very low	34.3	Very low	93 Å²	93	133.5 Å²	133.5	77%	0.769	83%	0.83	S	S	*	*			trans	-147.6	101.7	153	0	0	0	0	0	111.1
300	Q	28.4	Very low	33.8	Very low	189 Å²	189	126 Å²	126	88%	0.883	82%	0.822	S	S	*	*	S	Bend	trans	76.4	153.6	161.8	-51.7	-160.1	-22.8	0	0	119
301	P	37.3	Very low	32.6	Very low	128 Å²	128	123.5 Å²	123.5	83%	0.831	82%	0.824	S	S	*	*				-123.3	138	-81.6	27.6	-7.6	0	0	0	112.3
302	G	29.1	Very low	32	Very low	72 Å²	72	118.3 Å²	118.3	74%	0.742	82%	0.819	S	S	*	*			trans	-175.7	121.8	168.9	0	0	0	0	0	112.1
303	C	25	Very low	31.9	Very low	138 Å²	138	116.5 Å²	116.5	93%	0.932	82%	0.824	S	S	*	*			trans	77	90.1	172.1	-63.4	0	0	0	0	118.1
304	S	26.2	Very low	31.9	Very low	117 Å²	117	113 Å²	113	82%	0.818	81%	0.814	S	S	*	*			trans	-72.3	134.4	144.8	47.2	0	0	0	0	111.7
305	S	29.6	Very low	31.5	Very low	124 Å²	124	115.5 Å²	115.5	87%	0.867	82%	0.815	S	S	*	*				-173	143.1	122.6	49.2	0	0	0	0	113.2
306	S	29.8	Very low	31.3	Very low	109 Å²	109	115.6 Å²	115.6	76%	0.762	80%	0.802	S	S	*	*			trans	-90.1	140.1	-175	45.8	0	0	0	0	114
307	S	31.8	Very low	31.3	Very low	109 Å²	109	114.1 Å²	114.1	76%	0.762	80%	0.799	S	S	*	*			trans	38.1	115.7	139.1	-44.3	0	0	0	0	123.3
308	C	27	Very low	31.2	Very low	127 Å²	127	110.1 Å²	110.1	86%	0.858	78%	0.784	S	S	*	*			trans	70.6	152.7	135.8	-65.3	0	0	0	0	120.8
309	P	33.1	Very low	31.1	Very low	124 Å²	124	111.1 Å²	111.1	81%	0.805	78%	0.783	S	S	*	*			cis	-139.2	176.6	27.8	38.9	-17.5	0	0	0	117.7
310	A	40.3	Very low	31.7	Very low	94 Å²	94	112.4 Å²	112.4	78%	0.777	78%	0.784	S	S	*	*			trans	-53.2	146.7	178.2	0	0	0	0	0	116.1
311	C	22	Very low	32.4	Very low	131 Å²	131	115.2 Å²	115.2	89%	0.885	79%	0.786	S	S	*	*			trans	-171.6	119	145.7	-88.1	0	0	0	0	105.3
312	G	31.1	Very low	32.3	Very low	74 Å²	74	113.6 Å²	113.6	76%	0.763	78%	0.778	S	S	*	*				83	97.9	75.5	0	0	0	0	0	110.7
313	A	38.4	Very low	32.8	Very low	109 Å²	109	118.5 Å²	118.5	90%	0.901	79%	0.787	S	S	*	*	S	Bend	trans	62.5	106.1	169.4	0	0	0	0	0	118.2
314	G	40.7	Very low	33.2	Very low	68 Å²	68	118.7 Å²	118.7	70%	0.701	78%	0.779	S	S	*	*			trans	91.1	149.7	157.6	0	0	0	0	0	117
315	T	30.5	Very low	34	Very low	123 Å²	123	115.8 Å²	115.8	76%	0.755	76%	0.758	S	S	*	*			trans	91	121.1	173.4	68.3	0	0	0	0	115.5
316	V	30.7	Very low	34.9	Very low	71 Å²	71	114.6 Å²	114.6	43%	0.43	75%	0.749	S	S	.	*				72.2	125.6	58.1	-177.8	0	0	0	0	113.7	R327	V316-R327 HydrophobicContact CG1-CG 4Å; V316-R327 HydrophobicContact CG2-CG 4.07Å
317	A	31.3	Very low	36.5	Very low	101 Å²	101	114.3 Å²	114.3	84%	0.835	73%	0.732	S	S	*	*			trans	-84.3	133	169	0	0	0	0	0	111.1
318	C	29.6	Very low	38.5	Very low	87 Å²	87	109.7 Å²	109.7	59%	0.588	70%	0.699	S	S	*	*			trans	-129.6	146.2	173.1	-55.5	0	0	0	0	110.2	C325	C318-C325 VanDerWaalsContact CA-SG 3.56Å; C318-C325 HydrophobicContact CB-CB 4.05Å; C318-C325 WeakPolarHBondContact CB-SG 3.48Å; C318-C325 WeakPolarHBondContact SG-CB 3.23Å; C318-C325 CovalentContact SG-SG 2.03Å; C318-C325 PolarHBondContact SG-SG 3.18Å
319	D	32.8	Very low	41	Very low	146 Å²	146	107.4 Å²	107.4	78%	0.781	68%	0.676	S	S	*	*			trans	-92.2	142.5	-179.2	-163.6	17.1	0	0	0	111.8	R321	D319-R321 PolarHBondContact O-N 3.3Å; D319-R321 VanDerWaalsContact O-N 3.13Å
320	P	42.2	Very low	43.2	Very low	120 Å²	120	105.8 Å²	105.8	78%	0.779	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	23	-157.4	-13.9	30.7	0	0	0	119.3
321	R	42.1	Very low	45	Very low	248 Å²	248	101.9 Å²	101.9	94%	0.936	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	4.9	-177	-73	-171.2	177.4	171.6	1.4	117.3	D319	D319-R321 PolarHBondContact O-N 3.3Å; D319-R321 VanDerWaalsContact O-N 3.13Å
322	S	35.9	Very low	47.6	Very low	94 Å²	94	100 Å²	100	66%	0.657	62%	0.616	S	S	*	*			trans	-147	128.3	174.1	-176.7	0	0	0	0	110	N324	S322-N324 PolarHBondContact O-N 3.23Å
323	N	38.6	Very low	49.7	Very low	174 Å²	174	97 Å²	97	93%	0.93	58%	0.582	S	S	*	*	S	Bend	trans	-76.8	34.9	-176.5	-106.8	1.6	0	0	0	113.7
324	N	34.7	Very low	50.9	Low	143 Å²	143	98.9 Å²	98.9	77%	0.765	57%	0.572	S	S	*	*			trans	-137.5	111.3	172.6	-94.6	-16.5	0	0	0	110.1	S322	S322-N324 PolarHBondContact O-N 3.23Å
325	C	42.2	Very low	52.2	Low	56 Å²	56	97.5 Å²	97.5	38%	0.378	55%	0.549	S	S	.	.			trans	-100	89.3	-179.9	-155.5	0	0	0	0	108.7	C318 R327	C318-C325 VanDerWaalsContact CA-SG 3.56Å; C318-C325 HydrophobicContact CB-CB 4.05Å; C318-C325 WeakPolarHBondContact CB-SG 3.48Å; C318-C325 WeakPolarHBondContact SG-CB 3.23Å; C318-C325 CovalentContact SG-SG 2.03Å; C318-C325 PolarHBondContact SG-SG 3.18Å; C325-R327 PolarHBondContact O-N 3.02Å
326	S	48.3	Very low	54.3	Low	98 Å²	98	91.9 Å²	91.9	69%	0.685	51%	0.514	S	S	*	.			trans	-77.8	99	176.6	38.2	0	0	0	0	109.6	C328	S326-C328 PolarHBondContact O-N 3.08Å
327	R	63.5	Low	56	Low	104 Å²	104	92.9 Å²	92.9	39%	0.392	52%	0.515	S	S	.	.			trans	-65.8	-6.8	171.7	-63.7	-174.3	-168.2	-179.8	-13.8	114.1	V316 C325 L396	V316-R327 HydrophobicContact CG1-CG 4Å; V316-R327 HydrophobicContact CG2-CG 4.07Å; C325-R327 PolarHBondContact O-N 3.02Å; R327-L396 HydrophobicContact CB-CB 4.41Å; R327-L396 HydrophobicContact CB-CD1 4.34Å; R327-L396 HydrophobicContact CB-CD2 4.22Å; R327-L396 HydrophobicContact CG-CD1 3.94Å
328	C	72.9	Confident	57.4	Low	11 Å²	11	93 Å²	93	7%	0.074	50%	0.502	C	S	.	.			trans	-100.1	130.5	174.9	-48.8	0	0	0	0	108.7	S326 Q343 T344 C391	S326-C328 PolarHBondContact O-N 3.08Å; C328-Q343 HydrophobicContact CB-CB 4Å; C328-Q343 HydrophobicContact CB-CG 4.44Å; C328-Q343 VanDerWaalsContact CB-OE1 3.32Å; C328-T344 CarbonylContact C-O 3.56Å; C328-T344 WeakPolarHBondContact CA-O 3.4Å; C328-C391 VanDerWaalsContact CA-SG 3.6Å; C328-C391 HydrophobicContact CB-CB 3.51Å; C328-C391 WeakPolarHBondContact CB-SG 3.49Å; C328-C391 WeakPolarHBondContact SG-CB 3.38Å; C328-C391 CovalentContact SG-SG 2.03Å; C328-C391 PolarHBondContact SG-SG 2.87Å
329	E	79.4	Confident	59.6	Low	79 Å²	79	89.5 Å²	89.5	37%	0.369	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.5	175.8	55.4	173.5	-157.3	0	0	110.7	Q343 T344 F346 Q355	E329-Q343 CarbonylContact O-C 3.58Å; E329-Q343 WeakPolarHBondContact O-CA 3.3Å; E329-T344 HydrophobicContact CG-CG2 3.98Å; E329-T344 PolarHBondContact N-O 3.37Å; E329-T344 PolarHBondContact O-N 2.81Å; E329-F346 WeakPolarHBondContact OE1-CD2 3.49Å; E329-Q355 WeakPolarHBondContact OE1-CG 3.47Å; E329-Q355 PolarHBondContact OE1-NE2 2.91Å
330	P	79.3	Confident	61.4	Low	90 Å²	90	85.7 Å²	85.7	58%	0.584	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	148.4	176.9	28.5	-34.3	0	0	0	111.2	T332 N342 Q355	P330-T332 PolarHBondContact O-N 2.92Å; P330-N342 WeakPolarHBondContact CA-O 3.45Å; P330-Q355 PolarHBondContact O-NE2 2.99Å
331	I	79.9	Confident	63	Low	13 Å²	13	80.6 Å²	80.6	7%	0.067	43%	0.426	C	S	.	.			trans	-70.8	120.8	174.3	-56.1	173.4	0	0	0	108.7	L333 M337 L339 Y341 N342 T344	I331-L333 HydrophobicContact CG2-CB 4.32Å; I331-M337 VanDerWaalsContact O-CE 3.25Å; I331-M337 WeakPolarHBondContact O-CE 3.28Å; I331-L339 HydrophobicContact CD1-CB 4.46Å; I331-L339 HydrophobicContact CD1-CD1 4.05Å; I331-Y341 HydrophobicContact CD1-CD2 3.93Å; I331-Y341 HydrophobicContact CD1-CE2 3.9Å; I331-Y341 VanDerWaalsContact CD1-O 3.23Å; I331-Y341 WeakPolarHBondContact CD1-O 3.37Å; I331-N342 PolarHBondContact N-O 2.86Å; I331-T344 HydrophobicContact CG1-CG2 4.06Å
332	T	75.3	Confident	64.8	Low	91 Å²	91	74.4 Å²	74.4	56%	0.558	41%	0.411	S	S	*	.			trans	-111.4	-9.6	176.5	57.4	0	0	0	0	112	P330 E334 Q355	P330-T332 PolarHBondContact O-N 2.92Å; T332-E334 PolarHBondContact O-N 3.41Å; T332-Q355 PolarHBondContact OG1-OE1 2.79Å
333	L	74.4	Confident	67	Low	12 Å²	12	74.2 Å²	74.2	6%	0.063	40%	0.4	C	S	.	.			trans	-71.5	107.1	177.4	-172.7	64.2	0	0	0	110.4	I331 L335 C336 M337 V388	I331-L333 HydrophobicContact CG2-CB 4.32Å; L333-L335 HydrophobicContact CD1-CD1 4.44Å; L333-L335 PolarHBondContact O-N 3.4Å; L333-L335 VanDerWaalsContact O-N 3.09Å; L333-C336 HydrophobicContact CD2-CB 4.3Å; L333-C336 PolarHBondContact O-N 3.44Å; L333-M337 WeakPolarHBondContact O-CG 3.43Å; L333-M337 PolarHBondContact O-N 2.97Å; L333-V388 HydrophobicContact CB-CG1 4.21Å; L333-V388 HydrophobicContact CD2-CG1 3.82Å
334	E	65.5	Low	69.3	Low	147 Å²	147	65.9 Å²	65.9	69%	0.687	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-53.6	-33.7	-174.3	-67	-172	172.7	0	0	113.6	T332 C336 P454	T332-E334 PolarHBondContact O-N 3.41Å; E334-C336 VanDerWaalsContact C-N 3.29Å; E334-C336 PolarHBondContact O-N 3.42Å; E334-P454 WeakPolarHBondContact O-CG 3.18Å
335	L	66.8	Low	71.6	Confident	40 Å²	40	60.1 Å²	60.1	21%	0.209	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-70.6	-22.8	-179.8	-67.5	95.8	0	0	0	114	L333	L333-L335 HydrophobicContact CD1-CD1 4.44Å; L333-L335 PolarHBondContact O-N 3.4Å; L333-L335 VanDerWaalsContact O-N 3.09Å
336	C	74.3	Confident	73.3	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.027	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-120.7	16.4	-172.1	-58.1	0	0	0	0	113.4	L333 E334 N338 L339 C384 V388	L333-C336 HydrophobicContact CD2-CB 4.3Å; L333-C336 PolarHBondContact O-N 3.44Å; E334-C336 VanDerWaalsContact C-N 3.29Å; E334-C336 PolarHBondContact O-N 3.42Å; C336-N338 VanDerWaalsContact C-N 3.26Å; C336-N338 PolarHBondContact O-N 3.09Å; C336-L339 HydrophobicContact CB-CD1 3.96Å; C336-L339 HydrophobicContact CB-CG 4.47Å; C336-L339 WeakPolarHBondContact O-CD1 3.24Å; C336-L339 WeakPolarHBondContact O-CG 3.14Å; C336-C384 VanDerWaalsContact CA-SG 3.6Å; C336-C384 HydrophobicContact CB-CB 3.74Å; C336-C384 WeakPolarHBondContact CB-SG 3.48Å; C336-C384 VanDerWaalsContact SG-CA 3.57Å; C336-C384 WeakPolarHBondContact SG-CB 3.46Å; C336-C384 CovalentContact SG-SG 2.05Å; C336-C384 PolarHBondContact SG-SG 3.42Å; C336-V388 HydrophobicContact CB-CG2 3.52Å
337	M	66.1	Low	74.9	Confident	92 Å²	92	57.6 Å²	57.6	45%	0.453	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.6	-177	-68.8	-162.3	111.1	0	0	114.9	I331 L333 P454	I331-M337 VanDerWaalsContact O-CE 3.25Å; I331-M337 WeakPolarHBondContact O-CE 3.28Å; L333-M337 WeakPolarHBondContact O-CG 3.43Å; L333-M337 PolarHBondContact O-N 2.97Å; M337-P454 HydrophobicContact CB-CG 4.28Å
338	N	62.3	Low	75.7	Confident	104 Å²	104	52.8 Å²	52.8	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	22.9	-177.7	-71.6	-11.8	0	0	0	113.9	C336 P454	C336-N338 VanDerWaalsContact C-N 3.26Å; C336-N338 PolarHBondContact O-N 3.09Å; N338-P454 HydrophobicContact CB-CG 4.34Å
339	L	74.3	Confident	76	Confident	14 Å²	14	55.1 Å²	55.1	7%	0.073	29%	0.294	C	S	.	.	S	Bend	trans	-66.8	156	172.1	-74.5	168	0	0	0	110.8	I331 C336 Y341 F381 C384 V388	I331-L339 HydrophobicContact CD1-CB 4.46Å; I331-L339 HydrophobicContact CD1-CD1 4.05Å; C336-L339 HydrophobicContact CB-CD1 3.96Å; C336-L339 HydrophobicContact CB-CG 4.47Å; C336-L339 WeakPolarHBondContact O-CD1 3.24Å; C336-L339 WeakPolarHBondContact O-CG 3.14Å; L339-Y341 HydrophobicContact CB-CD1 4.1Å; L339-Y341 HydrophobicContact CB-CE1 3.91Å; L339-Y341 HydrophobicContact CB-CE2 4.44Å; L339-Y341 HydrophobicContact CB-CG 4.46Å; L339-Y341 HydrophobicContact CD1-CE1 4.08Å; L339-Y341 HydrophobicContact CD1-CE2 3.9Å; L339-Y341 WeakPolarHBondContact CD1-OH 3.27Å; L339-Y341 HydrophobicContact CD2-CE1 4.25Å; L339-Y341 HydrophobicContact CG-CE1 4.32Å; L339-Y341 PolarHBondContact O-N 2.93Å; L339-F381 HydrophobicContact CD2-CD2 3.81Å; L339-F381 HydrophobicContact CD2-CE2 4.01Å; L339-C384 HydrophobicContact CD1-CB 3.95Å; L339-C384 HydrophobicContact CD2-CB 3.95Å; L339-C384 HydrophobicContact CG-CB 4.27Å; L339-V388 HydrophobicContact CD1-CG2 3.69Å
340	P	71.6	Confident	75.7	Confident	65 Å²	65	53.5 Å²	53.5	42%	0.422	29%	0.288	S	S	.	.	S	Bend	trans	-68.5	13.4	177.6	28.8	-34.6	0	0	0	113.4	F381	P340-F381 HydrophobicContact CG-CE2 3.88Å; P340-F381 HydrophobicContact CG-CZ 4.39Å
341	Y	75.3	Confident	75.4	Confident	13 Å²	13	51.6 Å²	51.6	5%	0.051	28%	0.284	C	S	.	.			trans	-147.9	146.4	177.4	57.3	-88.3	0	0	0	109.8	I331 L339 Q343 V388 K390 L443	I331-Y341 HydrophobicContact CD1-CD2 3.93Å; I331-Y341 HydrophobicContact CD1-CE2 3.9Å; I331-Y341 VanDerWaalsContact CD1-O 3.23Å; I331-Y341 WeakPolarHBondContact CD1-O 3.37Å; L339-Y341 HydrophobicContact CB-CD1 4.1Å; L339-Y341 HydrophobicContact CB-CE1 3.91Å; L339-Y341 HydrophobicContact CB-CE2 4.44Å; L339-Y341 HydrophobicContact CB-CG 4.46Å; L339-Y341 HydrophobicContact CD1-CE1 4.08Å; L339-Y341 HydrophobicContact CD1-CE2 3.9Å; L339-Y341 WeakPolarHBondContact CD1-OH 3.27Å; L339-Y341 HydrophobicContact CD2-CE1 4.25Å; L339-Y341 HydrophobicContact CG-CE1 4.32Å; L339-Y341 PolarHBondContact O-N 2.93Å; Y341-Q343 WeakPolarHBondContact CD2-O 3.39Å; Y341-V388 WeakPolarHBondContact CE2-O 3.06Å; Y341-V388 PolarHBondContact OH-O 3.3Å; Y341-K390 HydrophobicContact CD1-CB 3.82Å; Y341-K390 HydrophobicContact CD1-CD 3.94Å; Y341-K390 HydrophobicContact CD1-CG 4.02Å; Y341-K390 HydrophobicContact CD2-CB 3.62Å; Y341-K390 HydrophobicContact CD2-CG 3.84Å; Y341-K390 HydrophobicContact CE1-CB 3.85Å; Y341-K390 HydrophobicContact CE2-CB 3.63Å; Y341-K390 HydrophobicContact CE2-CG 4.37Å; Y341-K390 HydrophobicContact CG-CB 3.69Å; Y341-K390 HydrophobicContact CG-CD 3.91Å; Y341-K390 HydrophobicContact CG-CG 3.62Å; Y341-L443 HydrophobicContact CD1-CD1 4.49Å; Y341-L443 HydrophobicContact CE1-CD1 3.78Å
342	N	79.9	Confident	75.2	Confident	119 Å²	119	51.9 Å²	51.9	64%	0.636	29%	0.285	S	S	*	.	S	Bend	trans	-108.3	2.7	-174.4	-61.4	-2.1	0	0	0	113.1	P330 I331	P330-N342 WeakPolarHBondContact CA-O 3.45Å; I331-N342 PolarHBondContact N-O 2.86Å
343	Q	83.1	Confident	75.3	Confident	89 Å²	89	53.7 Å²	53.7	42%	0.416	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.9	-172.5	-70.9	-176.2	40	0	0	110.9	C328 E329 Y341 C391	C328-Q343 HydrophobicContact CB-CB 4Å; C328-Q343 HydrophobicContact CB-CG 4.44Å; C328-Q343 VanDerWaalsContact CB-OE1 3.32Å; E329-Q343 CarbonylContact O-C 3.58Å; E329-Q343 WeakPolarHBondContact O-CA 3.3Å; Y341-Q343 WeakPolarHBondContact CD2-O 3.39Å; Q343-C391 HydrophobicContact CB-CB 4.48Å; Q343-C391 PolarHBondContact O-N 3.04Å
344	T	85.8	Confident	75.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	166.3	-178.7	-169.8	0	0	0	0	112.1	C328 E329 I331 F346 Q355 V388 P389	C328-T344 CarbonylContact C-O 3.56Å; C328-T344 WeakPolarHBondContact CA-O 3.4Å; E329-T344 HydrophobicContact CG-CG2 3.98Å; E329-T344 PolarHBondContact N-O 3.37Å; E329-T344 PolarHBondContact O-N 2.81Å; I331-T344 HydrophobicContact CG1-CG2 4.06Å; T344-F346 HydrophobicContact CG2-CE2 3.95Å; T344-Q355 HydrophobicContact CG2-CG 4.22Å; T344-V388 WeakPolarHBondContact OG1-CA 3.29Å; T344-P389 VanDerWaalsContact CA-O 3.26Å; T344-P389 WeakPolarHBondContact CA-O 3.11Å; T344-P389 WeakPolarHBondContact CB-O 3.34Å; T344-P389 PolarHBondContact OG1-O 2.03Å
345	S	83.9	Confident	75.9	Confident	21 Å²	21	49 Å²	49	15%	0.147	27%	0.274	C	S	.	.			trans	-145.7	139.6	-179.8	-171.4	0	0	0	0	110.7
346	F	78.4	Confident	75.9	Confident	38 Å²	38	53.8 Å²	53.8	17%	0.167	29%	0.289	C	S	.	.	S	Bend	trans	-113	151	-177.6	-79.7	-96.9	0	0	0	111.2	E329 T344 N348 H352 L353 S354 Q355 S358 L387 V388	E329-F346 WeakPolarHBondContact OE1-CD2 3.49Å; T344-F346 HydrophobicContact CG2-CE2 3.95Å; F346-N348 HydrophobicContact CD1-CB 4.19Å; F346-N348 HydrophobicContact CE1-CB 3.88Å; F346-N348 HydrophobicContact CZ-CB 4.48Å; F346-H352 WeakPolarHBondContact CD1-O 3.11Å; F346-L353 WeakPolarHBondContact CB-O 3.34Å; F346-S354 VanDerWaalsContact CD1-N 3.34Å; F346-S354 VanDerWaalsContact CE1-O 3.25Å; F346-S354 WeakPolarHBondContact CE1-O 3.31Å; F346-Q355 HydrophobicContact CD2-CG 4.12Å; F346-Q355 HydrophobicContact CE2-CB 4.22Å; F346-Q355 HydrophobicContact CE2-CG 3.16Å; F346-Q355 HydrophobicContact CZ-CB 4.11Å; F346-Q355 HydrophobicContact CZ-CG 3.47Å; F346-Q355 VanDerWaalsContact CZ-CG 3.47Å; F346-S358 VanDerWaalsContact CE1-OG 3.26Å; F346-S358 WeakPolarHBondContact CE1-OG 3.27Å; F346-L387 WeakPolarHBondContact CZ-O 3.21Å; F346-V388 HydrophobicContact CZ-CG1 4.24Å
347	P	80	Confident	75.6	Confident	63 Å²	63	57.2 Å²	57.2	41%	0.409	31%	0.305	S	S	.	.	S	Bend	cis	-74.6	147.4	6.5	29.1	-34.9	0	0	0	113.6	H352 L353 K398	P347-H352 CarbonylContact C-O 3.56Å; P347-H352 WeakPolarHBondContact CA-O 3.26Å; P347-H352 WeakPolarHBondContact CB-O 3.17Å; P347-L353 HydrophobicContact CB-CD2 4.07Å; P347-K398 PolarHBondContact O-NZ 3.43Å
348	N	80.6	Confident	76	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	28%	0.283	C	S	.	.			trans	-74.3	-170.5	-179.5	70.2	12.8	0	0	0	112.1	F346 L350 G351 H352 S358 L386 L387 P389 K398	F346-N348 HydrophobicContact CD1-CB 4.19Å; F346-N348 HydrophobicContact CE1-CB 3.88Å; F346-N348 HydrophobicContact CZ-CB 4.48Å; N348-L350 VanDerWaalsContact C-N 3.31Å; N348-L350 PolarHBondContact OD1-N 2.93Å; N348-G351 PolarHBondContact OD1-N 2.92Å; N348-H352 PolarHBondContact N-O 1.99Å; N348-H352 WeakPolarHBondContact ND2-CB 3.44Å; N348-H352 PolarHBondContact ND2-ND1 3.2Å; N348-H352 PolarHBondContact OD1-N 2.85Å; N348-S358 PolarHBondContact ND2-OG 3.46Å; N348-L386 WeakPolarHBondContact CB-O 3.43Å; N348-L387 VanDerWaalsContact CB-O 3.32Å; N348-L387 WeakPolarHBondContact CB-O 3.44Å; N348-L387 PolarHBondContact ND2-O 2.81Å; N348-P389 HydrophobicContact CB-CG 4.29Å; N348-K398 PolarHBondContact O-NZ 3.01Å
349	F	79	Confident	76.4	Confident	61 Å²	61	49.2 Å²	49.2	27%	0.268	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.8	-178.5	-72.2	-73.7	0	0	0	113.7	L386 P389 K398 P400	F349-L386 HydrophobicContact CB-CD2 4.07Å; F349-L386 PolarHBondContact N-O 2.82Å; F349-P389 HydrophobicContact CD2-CB 3.8Å; F349-P389 HydrophobicContact CD2-CG 4.18Å; F349-P389 HydrophobicContact CE2-CB 3.48Å; F349-P389 VanDerWaalsContact CE2-CB 3.48Å; F349-P389 HydrophobicContact CE2-CG 4.14Å; F349-K398 HydrophobicContact CE1-CD 4Å; F349-K398 HydrophobicContact CE1-CG 4.3Å; F349-K398 HydrophobicContact CE2-CB 4.45Å; F349-K398 HydrophobicContact CE2-CD 4.15Å; F349-K398 HydrophobicContact CE2-CG 4.33Å; F349-K398 HydrophobicContact CZ-CB 4.28Å; F349-K398 HydrophobicContact CZ-CD 3.77Å; F349-K398 HydrophobicContact CZ-CG 3.76Å; F349-P400 HydrophobicContact CE1-CB 4.05Å; F349-P400 HydrophobicContact CE2-CB 3.94Å; F349-P400 HydrophobicContact CZ-CB 3.53Å; F349-P400 HydrophobicContact CZ-CG 4.29Å
350	L	74.1	Confident	75.7	Confident	45 Å²	45	50.6 Å²	50.6	24%	0.236	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7	175.8	-62.7	174.9	0	0	0	112.7	N348 L387 D427	N348-L350 VanDerWaalsContact C-N 3.31Å; N348-L350 PolarHBondContact OD1-N 2.93Å; L350-L387 HydrophobicContact CD1-CD2 3.76Å; L350-L387 HydrophobicContact CD1-CG 4.36Å; L350-D427 HydrophobicContact CD2-CB 4.09Å
351	G	72.2	Confident	75.4	Confident	49 Å²	49	49 Å²	49	51%	0.505	27%	0.266	S	S	.	.			trans	87.6	-3.8	176.6	0	0	0	0	0	115.8	N348	N348-G351 PolarHBondContact OD1-N 2.92Å
352	H	77.2	Confident	74.9	Confident	20 Å²	20	49 Å²	49	9%	0.093	27%	0.265	C	S	.	.			trans	-65.4	143.1	177.8	-47.2	126.7	0	0	0	110.9	F346 P347 N348 E357 S361	F346-H352 WeakPolarHBondContact CD1-O 3.11Å; P347-H352 CarbonylContact C-O 3.56Å; P347-H352 WeakPolarHBondContact CA-O 3.26Å; P347-H352 WeakPolarHBondContact CB-O 3.17Å; N348-H352 PolarHBondContact N-O 1.99Å; N348-H352 WeakPolarHBondContact ND2-CB 3.44Å; N348-H352 PolarHBondContact ND2-ND1 3.2Å; N348-H352 PolarHBondContact OD1-N 2.85Å; H352-E357 HydrophobicContact CB-CB 4.08Å; H352-E357 HydrophobicContact CB-CG 3.92Å; H352-E357 IonicContact CD2-OE1 3.29Å; H352-S361 WeakPolarHBondContact CE1-CB 3.37Å; H352-S361 PolarHBondContact CE1-OG 3.14Å; H352-S361 WeakPolarHBondContact NE2-CB 3.34Å; H352-S361 PolarHBondContact NE2-OG 2.93Å
353	L	76.3	Confident	73.8	Confident	129 Å²	129	48.6 Å²	48.6	68%	0.675	26%	0.259	S	S	*	.	S	Bend	trans	-94	-11.8	-176.5	-58.3	-179.7	0	0	0	113.2	F346 P347 E357	F346-L353 WeakPolarHBondContact CB-O 3.34Å; P347-L353 HydrophobicContact CB-CD2 4.07Å; L353-E357 PolarHBondContact N-OE2 2Å
354	S	78.9	Confident	72.5	Confident	47 Å²	47	49 Å²	49	33%	0.329	27%	0.272	S	S	.	.	S	Bend	trans	-150.1	158.6	179.7	69.9	0	0	0	0	113.8	F346 R356 E357 S358	F346-S354 VanDerWaalsContact CD1-N 3.34Å; F346-S354 VanDerWaalsContact CE1-O 3.25Å; F346-S354 WeakPolarHBondContact CE1-O 3.31Å; S354-R356 PolarHBondContact O-N 2.99Å; S354-E357 PolarHBondContact O-N 3.17Å; S354-E357 VanDerWaalsContact O-N 3.14Å; S354-E357 PolarHBondContact OG-N 3.29Å; S354-S358 PolarHBondContact O-N 2.95Å; S354-S358 VanDerWaalsContact O-N 3.11Å; S354-S358 PolarHBondContact O-OG 3.32Å
355	Q	74.3	Confident	71.4	Confident	13 Å²	13	50.7 Å²	50.7	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-30.5	173.8	-67.2	-177.2	58.6	0	0	113.3	E329 P330 T332 T344 F346 S358 S359 V388	E329-Q355 WeakPolarHBondContact OE1-CG 3.47Å; E329-Q355 PolarHBondContact OE1-NE2 2.91Å; P330-Q355 PolarHBondContact O-NE2 2.99Å; T332-Q355 PolarHBondContact OG1-OE1 2.79Å; T344-Q355 HydrophobicContact CG2-CG 4.22Å; F346-Q355 HydrophobicContact CD2-CG 4.12Å; F346-Q355 HydrophobicContact CE2-CB 4.22Å; F346-Q355 HydrophobicContact CE2-CG 3.16Å; F346-Q355 HydrophobicContact CZ-CB 4.11Å; F346-Q355 HydrophobicContact CZ-CG 3.47Å; F346-Q355 VanDerWaalsContact CZ-CG 3.47Å; Q355-S358 WeakPolarHBondContact O-CB 3.32Å; Q355-S359 PolarHBondContact O-N 2.71Å; Q355-S359 VanDerWaalsContact O-N 3.09Å; Q355-V388 HydrophobicContact CG-CG1 4.31Å
356	R	65.6	Low	70.5	Confident	141 Å²	141	51.8 Å²	51.8	53%	0.532	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-36.7	177.9	-174.7	178.7	-178	178.1	1	112.3	S354 S359 V360	S354-R356 PolarHBondContact O-N 2.99Å; R356-S359 PolarHBondContact O-N 3.36Å; R356-S359 PolarHBondContact O-OG 3.16Å; R356-V360 WeakPolarHBondContact O-CG2 3.44Å; R356-V360 PolarHBondContact O-N 3.01Å
357	E	69.6	Low	70	Confident	75 Å²	75	50.6 Å²	50.6	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-71.2	-39.5	175.1	-172.2	-176.1	174.4	0	0	110.7	H352 L353 S354 S359 V360 S361	H352-E357 HydrophobicContact CB-CB 4.08Å; H352-E357 HydrophobicContact CB-CG 3.92Å; H352-E357 IonicContact CD2-OE1 3.29Å; L353-E357 PolarHBondContact N-OE2 2Å; S354-E357 PolarHBondContact O-N 3.17Å; S354-E357 VanDerWaalsContact O-N 3.14Å; S354-E357 PolarHBondContact OG-N 3.29Å; E357-S359 VanDerWaalsContact C-N 3.3Å; E357-S359 PolarHBondContact O-N 3.15Å; E357-V360 PolarHBondContact O-N 2.8Å; E357-S361 PolarHBondContact O-N 3.41Å
358	S	72.7	Confident	69.4	Low	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-37.5	171.3	-59.1	0	0	0	0	113.6	F346 N348 S354 Q355 W362 L387	F346-S358 VanDerWaalsContact CE1-OG 3.26Å; F346-S358 WeakPolarHBondContact CE1-OG 3.27Å; N348-S358 PolarHBondContact ND2-OG 3.46Å; S354-S358 PolarHBondContact O-N 2.95Å; S354-S358 VanDerWaalsContact O-N 3.11Å; S354-S358 PolarHBondContact O-OG 3.32Å; Q355-S358 WeakPolarHBondContact O-CB 3.32Å; S358-W362 WeakPolarHBondContact O-CB 3.25Å; S358-W362 PolarHBondContact O-N 3.16Å; S358-L387 PolarHBondContact OG-O 2.9Å; S358-L387 VanDerWaalsContact OG-O 3.12Å
359	S	70.8	Confident	68.5	Low	28 Å²	28	51.6 Å²	51.6	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-39.7	179	80.4	0	0	0	0	111.9	Q355 R356 E357 E363	Q355-S359 PolarHBondContact O-N 2.71Å; Q355-S359 VanDerWaalsContact O-N 3.09Å; R356-S359 PolarHBondContact O-N 3.36Å; R356-S359 PolarHBondContact O-OG 3.16Å; E357-S359 VanDerWaalsContact C-N 3.3Å; E357-S359 PolarHBondContact O-N 3.15Å; S359-E363 WeakPolarHBondContact O-CG 3.43Å; S359-E363 PolarHBondContact O-N 2.94Å
360	V	60.3	Low	68	Low	43 Å²	43	49 Å²	49	26%	0.261	28%	0.283	S	S	.	.	H	α-helix	trans	-70	-43.2	178.2	175.3	0	0	0	0	111.2	R356 E357 E363 S364	R356-V360 WeakPolarHBondContact O-CG2 3.44Å; R356-V360 PolarHBondContact O-N 3.01Å; E357-V360 PolarHBondContact O-N 2.8Å; V360-E363 PolarHBondContact O-N 2.75Å; V360-S364 PolarHBondContact O-N 2.89Å; V360-S364 PolarHBondContact O-OG 3.17Å
361	S	66.1	Low	67.7	Low	33 Å²	33	48.8 Å²	48.8	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-42.7	175.7	-178.9	0	0	0	0	111.4	H352 E357 E363 S364 S365	H352-S361 WeakPolarHBondContact CE1-CB 3.37Å; H352-S361 PolarHBondContact CE1-OG 3.14Å; H352-S361 WeakPolarHBondContact NE2-CB 3.34Å; H352-S361 PolarHBondContact NE2-OG 2.93Å; E357-S361 PolarHBondContact O-N 3.41Å; S361-E363 PolarHBondContact O-N 2Å; S361-S364 WeakPolarHBondContact CA-OG 3.36Å; S361-S364 CarbonylContact O-C 3.13Å; S361-S364 PolarHBondContact O-N 3.37Å; S361-S364 PolarHBondContact O-OG 3.05Å; S361-S365 WeakPolarHBondContact O-CB 3.48Å; S361-S365 PolarHBondContact O-N 2.76Å; S361-S365 PolarHBondContact O-OG 2.75Å
362	W	64.9	Low	67.2	Low	12 Å²	12	53.8 Å²	53.8	5%	0.045	29%	0.294	C	S	.	.	H	α-helix	trans	-54.6	-52.6	174.5	176.4	-101.6	0	0	0	112.2	S358 S364 S365 F367 P368 V371 M380 A383 L387	S358-W362 WeakPolarHBondContact O-CB 3.25Å; S358-W362 PolarHBondContact O-N 3.16Å; W362-S364 VanDerWaalsContact C-N 3.25Å; W362-S364 PolarHBondContact O-N 3.39Å; W362-S365 PolarHBondContact O-N 2.8Å; W362-S365 VanDerWaalsContact O-N 3.07Å; W362-S365 PolarHBondContact O-OG 2.87Å; W362-F367 HydrophobicContact CE3-CB 3.69Å; W362-F367 HydrophobicContact CE3-CG 4.47Å; W362-F367 HydrophobicContact CH2-CB 3.55Å; W362-F367 HydrophobicContact CZ2-CB 4.44Å; W362-F367 HydrophobicContact CZ3-CB 3.06Å; W362-F367 HydrophobicContact CZ3-CD2 4.35Å; W362-F367 AromaticContact CZ3-CG 3.83Å; W362-F367 HydrophobicContact CZ3-CG 3.83Å; W362-P368 HydrophobicContact CD2-CG 4.1Å; W362-P368 HydrophobicContact CG-CG 4.25Å; W362-P368 HydrophobicContact CZ2-CG 4.41Å; W362-P368 WeakPolarHBondContact O-CD 3Å; W362-P368 WeakPolarHBondContact O-CG 2.96Å; W362-V371 HydrophobicContact CH2-CG2 4.07Å; W362-V371 HydrophobicContact CZ2-CG2 4.36Å; W362-M380 HydrophobicContact CH2-CE 4.13Å; W362-M380 HydrophobicContact CH2-SD 3.87Å; W362-M380 HydrophobicContact CZ2-CE 3.56Å; W362-M380 HydrophobicContact CZ2-SD 3.73Å; W362-A383 HydrophobicContact CE3-CB 4.39Å; W362-A383 HydrophobicContact CH2-CB 3.55Å; W362-A383 HydrophobicContact CZ3-CB 3.26Å; W362-L387 HydrophobicContact CB-CD1 4.06Å; W362-L387 HydrophobicContact CD2-CD1 3.98Å; W362-L387 HydrophobicContact CE3-CD1 3.4Å; W362-L387 HydrophobicContact CG-CD1 4.31Å; W362-L387 HydrophobicContact CZ3-CD1 4.02Å
363	E	55.7	Low	66.7	Low	110 Å²	110	56.3 Å²	56.3	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-25.4	-177.1	-71.8	-179	-170.5	0	0	114.2	S359 V360 S361 R729	S359-E363 WeakPolarHBondContact O-CG 3.43Å; S359-E363 PolarHBondContact O-N 2.94Å; V360-E363 PolarHBondContact O-N 2.75Å; S361-E363 PolarHBondContact O-N 2Å; E363-R729 IonicContact OE2-CZ 2.77Å; E363-R729 IonicContact OE2-NE 3.63Å; E363-R729 IonicContact OE2-NH2 2.67Å; E363-R729 PolarHBondContact OE2-NH2 3.38Å
364	S	56.3	Low	66.3	Low	98 Å²	98	52.9 Å²	52.9	69%	0.685	31%	0.307	S	S	*	.	H	α-helix	trans	-95	-7	175.3	52.6	0	0	0	0	113.5	V360 S361 W362	V360-S364 PolarHBondContact O-N 2.89Å; V360-S364 PolarHBondContact O-OG 3.17Å; S361-S364 WeakPolarHBondContact CA-OG 3.36Å; S361-S364 CarbonylContact O-C 3.13Å; S361-S364 PolarHBondContact O-N 3.37Å; S361-S364 PolarHBondContact O-OG 3.05Å; W362-S364 VanDerWaalsContact C-N 3.25Å; W362-S364 PolarHBondContact O-N 3.39Å
365	S	62.1	Low	66.1	Low	36 Å²	36	52 Å²	52	25%	0.252	30%	0.3	S	S	.	.	S	Bend	trans	-87	173.9	-178.6	74.4	0	0	0	0	113.2	S361 W362 F367 P368	S361-S365 WeakPolarHBondContact O-CB 3.48Å; S361-S365 PolarHBondContact O-N 2.76Å; S361-S365 PolarHBondContact O-OG 2.75Å; W362-S365 PolarHBondContact O-N 2.8Å; W362-S365 VanDerWaalsContact O-N 3.07Å; W362-S365 PolarHBondContact O-OG 2.87Å; S365-F367 VanDerWaalsContact C-N 3.34Å; S365-P368 WeakPolarHBondContact O-CD 3.47Å; S365-P368 WeakPolarHBondContact OG-CD 2.97Å
366	L	65.8	Low	66.4	Low	44 Å²	44	52.7 Å²	52.7	23%	0.23	30%	0.303	C	S	.	.	S	Bend	trans	-81.1	-15.2	-179.9	2.6	83.1	0	0	0	112.7	A369 L370 L417 L422 P425	L366-A369 PolarHBondContact O-N 3.2Å; L366-L370 WeakPolarHBondContact O-CG 3.34Å; L366-L370 PolarHBondContact O-N 3.2Å; L366-L370 VanDerWaalsContact O-N 3.08Å; L366-L417 HydrophobicContact CB-CD2 4.4Å; L366-L422 HydrophobicContact CD2-CB 4.4Å; L366-L422 HydrophobicContact CD2-CD1 4.36Å; L366-P425 HydrophobicContact CD1-CB 4.47Å; L366-P425 HydrophobicContact CD1-CG 3.67Å
367	F	68.7	Low	66.7	Low	12 Å²	12	50.8 Å²	50.8	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-69.3	-38.1	-176.4	-69.1	-76.3	0	0	0	115	W362 S365 A369 L370 V371 Y382 A383 W424 P425	W362-F367 HydrophobicContact CE3-CB 3.69Å; W362-F367 HydrophobicContact CE3-CG 4.47Å; W362-F367 HydrophobicContact CH2-CB 3.55Å; W362-F367 HydrophobicContact CZ2-CB 4.44Å; W362-F367 HydrophobicContact CZ3-CB 3.06Å; W362-F367 HydrophobicContact CZ3-CD2 4.35Å; W362-F367 AromaticContact CZ3-CG 3.83Å; W362-F367 HydrophobicContact CZ3-CG 3.83Å; S365-F367 VanDerWaalsContact C-N 3.34Å; F367-A369 VanDerWaalsContact C-N 3.32Å; F367-A369 PolarHBondContact O-N 3.15Å; F367-L370 PolarHBondContact O-N 2.82Å; F367-V371 VanDerWaalsContact O-CG2 3.29Å; F367-V371 WeakPolarHBondContact O-CG2 3.47Å; F367-V371 PolarHBondContact O-N 2.83Å; F367-Y382 HydrophobicContact CE1-CE1 4.33Å; F367-A383 HydrophobicContact CD1-CB 4.4Å; F367-W424 HydrophobicContact CE1-CH2 4.32Å; F367-W424 HydrophobicContact CE1-CZ2 4.44Å; F367-P425 HydrophobicContact CE2-CG 4.21Å; F367-P425 HydrophobicContact CZ-CG 4.15Å
368	P	65.4	Low	67.1	Low	30 Å²	30	49.3 Å²	49.3	20%	0.195	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-44	171.9	-20.9	25.3	0	0	0	113	W362 S365 V371 Q372	W362-P368 HydrophobicContact CD2-CG 4.1Å; W362-P368 HydrophobicContact CG-CG 4.25Å; W362-P368 HydrophobicContact CZ2-CG 4.41Å; W362-P368 WeakPolarHBondContact O-CD 3Å; W362-P368 WeakPolarHBondContact O-CG 2.96Å; S365-P368 WeakPolarHBondContact O-CD 3.47Å; S365-P368 WeakPolarHBondContact OG-CD 2.97Å; P368-V371 PolarHBondContact O-N 2.93Å; P368-Q372 WeakPolarHBondContact O-CG 3.44Å; P368-Q372 PolarHBondContact O-N 2.83Å
369	A	62.7	Low	67.5	Low	58 Å²	58	49.4 Å²	49.4	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-42.8	177.6	0	0	0	0	0	110.9	L366 F367 Q372 T373	L366-A369 PolarHBondContact O-N 3.2Å; F367-A369 VanDerWaalsContact C-N 3.32Å; F367-A369 PolarHBondContact O-N 3.15Å; A369-Q372 PolarHBondContact O-N 2.89Å; A369-T373 WeakPolarHBondContact O-CG2 3.37Å; A369-T373 PolarHBondContact O-N 3.14Å
370	L	68.7	Low	67.8	Low	5 Å²	5	49.3 Å²	49.3	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-39	177.1	-76.7	171.5	0	0	0	113.5	L366 F367 Q372 T373 G374 L379 C413 V416 L417 W424	L366-L370 WeakPolarHBondContact O-CG 3.34Å; L366-L370 PolarHBondContact O-N 3.2Å; L366-L370 VanDerWaalsContact O-N 3.08Å; F367-L370 PolarHBondContact O-N 2.82Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 2.88Å; L370-T373 PolarHBondContact O-N 3.28Å; L370-T373 VanDerWaalsContact O-N 3.1Å; L370-T373 PolarHBondContact O-OG1 3.04Å; L370-G374 PolarHBondContact O-N 3.24Å; L370-L379 HydrophobicContact CB-CD2 3.61Å; L370-C413 HydrophobicContact CD2-CB 4.25Å; L370-V416 HydrophobicContact CD2-CB 4.26Å; L370-V416 HydrophobicContact CD2-CG1 4.21Å; L370-L417 HydrophobicContact CD1-CD1 4.04Å; L370-L417 HydrophobicContact CD1-CD2 3.73Å; L370-L417 HydrophobicContact CD1-CG 3.93Å; L370-L417 HydrophobicContact CD2-CD2 3.73Å; L370-L417 HydrophobicContact CD2-CG 3.86Å; L370-L417 HydrophobicContact CG-CD2 3.79Å; L370-L417 HydrophobicContact CG-CG 4.26Å; L370-W424 HydrophobicContact CD1-CZ3 4.37Å
371	V	68.6	Low	68.8	Low	42 Å²	42	47.9 Å²	47.9	26%	0.255	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-37.2	176.8	172.3	0	0	0	0	110.7	W362 F367 P368 T373 G374 L379 M380	W362-V371 HydrophobicContact CH2-CG2 4.07Å; W362-V371 HydrophobicContact CZ2-CG2 4.36Å; F367-V371 VanDerWaalsContact O-CG2 3.29Å; F367-V371 WeakPolarHBondContact O-CG2 3.47Å; F367-V371 PolarHBondContact O-N 2.83Å; P368-V371 PolarHBondContact O-N 2.93Å; V371-T373 VanDerWaalsContact C-N 3.28Å; V371-T373 PolarHBondContact O-N 3.15Å; V371-G374 PolarHBondContact O-N 2.86Å; V371-G374 VanDerWaalsContact O-N 3.15Å; V371-L379 HydrophobicContact CG2-CB 4.46Å; V371-L379 HydrophobicContact CG2-CD2 3.88Å; V371-L379 HydrophobicContact CG2-CG 4.17Å; V371-M380 HydrophobicContact CB-CE 4.25Å; V371-M380 HydrophobicContact CG1-CB 4.5Å; V371-M380 HydrophobicContact CG1-CE 3.7Å; V371-M380 HydrophobicContact CG2-CB 4.34Å; V371-M380 HydrophobicContact CG2-CE 4.03Å
372	Q	61.1	Low	69.7	Low	153 Å²	153	46.3 Å²	46.3	72%	0.715	27%	0.268	S	S	*	.	H	α-helix	trans	-65.4	-28.4	174.7	-72.2	176.7	-3.3	0	0	113.5	P368 A369 L370 G374	P368-Q372 WeakPolarHBondContact O-CG 3.44Å; P368-Q372 PolarHBondContact O-N 2.83Å; A369-Q372 PolarHBondContact O-N 2.89Å; L370-Q372 VanDerWaalsContact C-N 3.26Å; L370-Q372 PolarHBondContact O-N 2.88Å; Q372-G374 PolarHBondContact O-N 3.41Å
373	T	67.1	Low	70.6	Confident	74 Å²	74	45.9 Å²	45.9	45%	0.454	27%	0.267	S	S	.	.	H	α-helix	trans	-72.6	-17	175.7	68.4	0	0	0	0	113.1	A369 L370 V371 C375 V416	A369-T373 WeakPolarHBondContact O-CG2 3.37Å; A369-T373 PolarHBondContact O-N 3.14Å; L370-T373 PolarHBondContact O-N 3.28Å; L370-T373 VanDerWaalsContact O-N 3.1Å; L370-T373 PolarHBondContact O-OG1 3.04Å; V371-T373 VanDerWaalsContact C-N 3.28Å; V371-T373 PolarHBondContact O-N 3.15Å; T373-C375 PolarHBondContact O-N 3.35Å; T373-V416 HydrophobicContact CG2-CG1 3.84Å
374	G	66.6	Low	72	Confident	57 Å²	57	40.8 Å²	40.8	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	21.8	-179.1	0	0	0	0	0	114.3	L370 V371 Q372 Y376	L370-G374 PolarHBondContact O-N 3.24Å; V371-G374 PolarHBondContact O-N 2.86Å; V371-G374 VanDerWaalsContact O-N 3.15Å; Q372-G374 PolarHBondContact O-N 3.41Å; G374-Y376 PolarHBondContact O-N 2.95Å
375	C	75.3	Confident	73.3	Confident	27 Å²	27	36.1 Å²	36.1	18%	0.182	21%	0.211	C	C	.	.	S	Bend	trans	-59.2	-30.1	-175.6	57.9	0	0	0	0	114	T373 C413 V416	T373-C375 PolarHBondContact O-N 3.35Å; C375-C413 HydrophobicContact CB-CB 3.92Å; C375-C413 WeakPolarHBondContact CB-SG 3.22Å; C375-C413 WeakPolarHBondContact SG-CB 3.39Å; C375-C413 CovalentContact SG-SG 2.03Å; C375-C413 PolarHBondContact SG-SG 2.94Å; C375-V416 HydrophobicContact CB-CG2 3.95Å
376	Y	80.3	Confident	74.5	Confident	28 Å²	28	34.6 Å²	34.6	11%	0.11	20%	0.2	C	C	.	.			trans	-148.9	131.2	173.9	180	-130.4	0	0	0	112.2	G374 Y378 L379 L405 I408 A409 K412	G374-Y376 PolarHBondContact O-N 2.95Å; Y376-Y378 VanDerWaalsContact C-N 3.28Å; Y376-Y378 HydrophobicContact CE2-CD2 4.22Å; Y376-Y378 AromaticContact CZ-CD2 3.87Å; Y376-Y378 PolarHBondContact O-N 2.69Å; Y376-L379 HydrophobicContact CD1-CB 4.39Å; Y376-L379 VanDerWaalsContact O-CB 3.29Å; Y376-L379 WeakPolarHBondContact O-CB 3.29Å; Y376-L379 PolarHBondContact O-N 3.43Å; Y376-L379 VanDerWaalsContact O-N 3.12Å; Y376-L405 HydrophobicContact CE1-CD1 4.07Å; Y376-I408 HydrophobicContact CD2-CG2 4.3Å; Y376-I408 HydrophobicContact CE1-CG2 4.26Å; Y376-I408 HydrophobicContact CE2-CG2 3.65Å; Y376-A409 HydrophobicContact CD1-CB 3.91Å; Y376-A409 HydrophobicContact CE1-CB 4.15Å; Y376-K412 HydrophobicContact CD2-CD 3.5Å; Y376-K412 HydrophobicContact CE2-CD 4.12Å; Y376-K412 HydrophobicContact CG-CD 4.13Å
377	Q	71.4	Confident	75.3	Confident	102 Å²	102	32.7 Å²	32.7	48%	0.477	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.7	-173.3	76.5	-164.9	31.6	0	0	114.8	E451	Q377-E451 HydrophobicContact CB-CG 4.46Å
378	Y	78.4	Confident	76.1	Confident	44 Å²	44	32.1 Å²	32.1	17%	0.173	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	16.9	178.3	-57	-61.8	0	0	0	113.2	Y376 M380 F381 Y382 P445	Y376-Y378 VanDerWaalsContact C-N 3.28Å; Y376-Y378 HydrophobicContact CE2-CD2 4.22Å; Y376-Y378 AromaticContact CZ-CD2 3.87Å; Y376-Y378 PolarHBondContact O-N 2.69Å; Y378-M380 VanDerWaalsContact C-N 3.34Å; Y378-M380 PolarHBondContact O-N 2.82Å; Y378-F381 PolarHBondContact O-N 2.8Å; Y378-Y382 PolarHBondContact O-N 3.21Å; Y378-P445 HydrophobicContact CD1-CB 3.75Å; Y378-P445 HydrophobicContact CD1-CG 4.13Å; Y378-P445 HydrophobicContact CD2-CB 4.37Å; Y378-P445 HydrophobicContact CD2-CG 3.87Å; Y378-P445 HydrophobicContact CE1-CB 3.89Å; Y378-P445 HydrophobicContact CE1-CG 4.4Å; Y378-P445 HydrophobicContact CE2-CB 4.47Å; Y378-P445 HydrophobicContact CE2-CG 4.13Å; Y378-P445 HydrophobicContact CG-CB 4.02Å; Y378-P445 HydrophobicContact CG-CG 3.87Å
379	L	81.6	Confident	77.2	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-41.7	179.8	-174	69.6	0	0	0	111.9	L370 V371 Y376 F381 Y382 A383 A409 W424	L370-L379 HydrophobicContact CB-CD2 3.61Å; V371-L379 HydrophobicContact CG2-CB 4.46Å; V371-L379 HydrophobicContact CG2-CD2 3.88Å; V371-L379 HydrophobicContact CG2-CG 4.17Å; Y376-L379 HydrophobicContact CD1-CB 4.39Å; Y376-L379 VanDerWaalsContact O-CB 3.29Å; Y376-L379 WeakPolarHBondContact O-CB 3.29Å; Y376-L379 PolarHBondContact O-N 3.43Å; Y376-L379 VanDerWaalsContact O-N 3.12Å; L379-F381 VanDerWaalsContact C-N 3.34Å; L379-F381 PolarHBondContact O-N 3.22Å; L379-Y382 HydrophobicContact CD1-CD1 4.38Å; L379-Y382 PolarHBondContact O-N 2.96Å; L379-A383 WeakPolarHBondContact O-CB 3.4Å; L379-A383 PolarHBondContact O-N 3.13Å; L379-A409 HydrophobicContact CD1-CB 4.08Å; L379-W424 HydrophobicContact CD1-CH2 4.33Å
380	M	77.6	Confident	78.2	Confident	26 Å²	26	31.3 Å²	31.3	13%	0.128	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-42.4	176.4	179.5	61.6	76.2	0	0	111.4	W362 V371 Y378 A383 C384 S453	W362-M380 HydrophobicContact CH2-CE 4.13Å; W362-M380 HydrophobicContact CH2-SD 3.87Å; W362-M380 HydrophobicContact CZ2-CE 3.56Å; W362-M380 HydrophobicContact CZ2-SD 3.73Å; V371-M380 HydrophobicContact CB-CE 4.25Å; V371-M380 HydrophobicContact CG1-CB 4.5Å; V371-M380 HydrophobicContact CG1-CE 3.7Å; V371-M380 HydrophobicContact CG2-CB 4.34Å; V371-M380 HydrophobicContact CG2-CE 4.03Å; Y378-M380 VanDerWaalsContact C-N 3.34Å; Y378-M380 PolarHBondContact O-N 2.82Å; M380-A383 PolarHBondContact O-N 2.81Å; M380-C384 WeakPolarHBondContact O-CB 3.07Å; M380-C384 PolarHBondContact O-N 3.31Å; M380-C384 PolarHBondContact O-SG 2.97Å; M380-S453 WeakPolarHBondContact CE-OG 3.36Å
381	F	80.7	Confident	79	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-48.8	175.5	178.7	-93.6	0	0	0	111.2	L339 P340 Y378 L379 A383 C384 T385 L405 P445 V449	L339-F381 HydrophobicContact CD2-CD2 3.81Å; L339-F381 HydrophobicContact CD2-CE2 4.01Å; P340-F381 HydrophobicContact CG-CE2 3.88Å; P340-F381 HydrophobicContact CG-CZ 4.39Å; Y378-F381 PolarHBondContact O-N 2.8Å; L379-F381 VanDerWaalsContact C-N 3.34Å; L379-F381 PolarHBondContact O-N 3.22Å; F381-A383 PolarHBondContact O-N 2.86Å; F381-C384 PolarHBondContact O-N 2.95Å; F381-T385 HydrophobicContact CD1-CG2 4.33Å; F381-T385 HydrophobicContact CE1-CG2 4.01Å; F381-T385 HydrophobicContact CZ-CG2 4.12Å; F381-T385 VanDerWaalsContact O-CG2 3.28Å; F381-T385 WeakPolarHBondContact O-CG2 3.38Å; F381-T385 PolarHBondContact O-N 3.4Å; F381-T385 PolarHBondContact O-OG1 3.07Å; F381-L405 HydrophobicContact CD1-CD2 3.9Å; F381-L405 HydrophobicContact CE1-CD2 3.95Å; F381-P445 HydrophobicContact CD1-CB 4.21Å; F381-P445 HydrophobicContact CE1-CB 4.22Å; F381-V449 HydrophobicContact CD2-CG1 4.03Å; F381-V449 HydrophobicContact CE2-CG1 4.48Å
382	Y	84.8	Confident	79.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-50.1	175.7	170.2	-106.4	0	0	0	111.8	F367 Y378 L379 C384 T385 L386 P401 L405 C406 A409 W424	F367-Y382 HydrophobicContact CE1-CE1 4.33Å; Y378-Y382 PolarHBondContact O-N 3.21Å; L379-Y382 HydrophobicContact CD1-CD1 4.38Å; L379-Y382 PolarHBondContact O-N 2.96Å; Y382-C384 PolarHBondContact O-N 2.93Å; Y382-T385 PolarHBondContact O-N 3.38Å; Y382-T385 PolarHBondContact O-OG1 2.81Å; Y382-L386 HydrophobicContact CE1-CD1 3.86Å; Y382-L386 HydrophobicContact CE2-CD1 4.24Å; Y382-L386 PolarHBondContact O-N 3.38Å; Y382-P401 HydrophobicContact CD2-CB 4.1Å; Y382-P401 HydrophobicContact CD2-CG 4.24Å; Y382-P401 HydrophobicContact CE2-CB 4.31Å; Y382-P401 HydrophobicContact CE2-CG 4.04Å; Y382-L405 HydrophobicContact CD2-CD2 4.23Å; Y382-L405 HydrophobicContact CD2-CG 4.14Å; Y382-C406 HydrophobicContact CE2-CB 3.68Å; Y382-C406 PolarHBondContact OH-SG 3.17Å; Y382-A409 HydrophobicContact CD1-CB 4.1Å; Y382-A409 HydrophobicContact CE1-CB 4.48Å; Y382-A409 HydrophobicContact CG-CB 4.31Å; Y382-W424 HydrophobicContact CE1-CZ2 4.08Å
383	A	84.3	Confident	79.9	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-49.2	176.9	0	0	0	0	0	113.5	W362 F367 L379 M380 F381 T385 L386 L387	W362-A383 HydrophobicContact CE3-CB 4.39Å; W362-A383 HydrophobicContact CH2-CB 3.55Å; W362-A383 HydrophobicContact CZ3-CB 3.26Å; F367-A383 HydrophobicContact CD1-CB 4.4Å; L379-A383 WeakPolarHBondContact O-CB 3.4Å; L379-A383 PolarHBondContact O-N 3.13Å; M380-A383 PolarHBondContact O-N 2.81Å; F381-A383 PolarHBondContact O-N 2.86Å; A383-T385 VanDerWaalsContact C-N 3.27Å; A383-T385 PolarHBondContact O-N 3.01Å; A383-L386 WeakPolarHBondContact O-CB 3.21Å; A383-L386 PolarHBondContact O-N 2.88Å; A383-L387 PolarHBondContact O-N 3.17Å; A383-L387 VanDerWaalsContact O-N 3.09Å
384	C	83.7	Confident	80.2	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.027	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-35.2	178.7	-80	0	0	0	0	111.8	C336 L339 M380 F381 Y382 L386 L387 V388	C336-C384 VanDerWaalsContact CA-SG 3.6Å; C336-C384 HydrophobicContact CB-CB 3.74Å; C336-C384 WeakPolarHBondContact CB-SG 3.48Å; C336-C384 VanDerWaalsContact SG-CA 3.57Å; C336-C384 WeakPolarHBondContact SG-CB 3.46Å; C336-C384 CovalentContact SG-SG 2.05Å; C336-C384 PolarHBondContact SG-SG 3.42Å; L339-C384 HydrophobicContact CD1-CB 3.95Å; L339-C384 HydrophobicContact CD2-CB 3.95Å; L339-C384 HydrophobicContact CG-CB 4.27Å; M380-C384 WeakPolarHBondContact O-CB 3.07Å; M380-C384 PolarHBondContact O-N 3.31Å; M380-C384 PolarHBondContact O-SG 2.97Å; F381-C384 PolarHBondContact O-N 2.95Å; Y382-C384 PolarHBondContact O-N 2.93Å; C384-L386 PolarHBondContact O-N 3.17Å; C384-L387 PolarHBondContact O-N 3Å; C384-V388 HydrophobicContact CB-CG2 4.44Å; C384-V388 CarbonylContact O-C 3.49Å; C384-V388 WeakPolarHBondContact O-CG2 3.43Å; C384-V388 PolarHBondContact O-N 2.73Å
385	T	85	Confident	80.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-21.6	174.8	61.1	0	0	0	0	114.2	F381 Y382 A383 P389 P401 L443	F381-T385 HydrophobicContact CD1-CG2 4.33Å; F381-T385 HydrophobicContact CE1-CG2 4.01Å; F381-T385 HydrophobicContact CZ-CG2 4.12Å; F381-T385 VanDerWaalsContact O-CG2 3.28Å; F381-T385 WeakPolarHBondContact O-CG2 3.38Å; F381-T385 PolarHBondContact O-N 3.4Å; F381-T385 PolarHBondContact O-OG1 3.07Å; Y382-T385 PolarHBondContact O-N 3.38Å; Y382-T385 PolarHBondContact O-OG1 2.81Å; A383-T385 VanDerWaalsContact C-N 3.27Å; A383-T385 PolarHBondContact O-N 3.01Å; T385-P389 WeakPolarHBondContact O-CA 3.05Å; T385-P401 WeakPolarHBondContact OG1-CB 3.48Å; T385-L443 HydrophobicContact CG2-CB 4.46Å; T385-L443 HydrophobicContact CG2-CD1 3.88Å
386	L	85.7	Confident	80.3	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-82.6	-39.6	172.6	-64	176.3	0	0	0	112.2	N348 F349 Y382 A383 C384 P401 F433	N348-L386 WeakPolarHBondContact CB-O 3.43Å; F349-L386 HydrophobicContact CB-CD2 4.07Å; F349-L386 PolarHBondContact N-O 2.82Å; Y382-L386 HydrophobicContact CE1-CD1 3.86Å; Y382-L386 HydrophobicContact CE2-CD1 4.24Å; Y382-L386 PolarHBondContact O-N 3.38Å; A383-L386 WeakPolarHBondContact O-CB 3.21Å; A383-L386 PolarHBondContact O-N 2.88Å; C384-L386 PolarHBondContact O-N 3.17Å; L386-P401 HydrophobicContact CD2-CG 3.78Å; L386-P401 HydrophobicContact CG-CG 4.47Å; L386-F433 HydrophobicContact CD2-CE1 3.99Å; L386-F433 HydrophobicContact CD2-CE2 4.44Å; L386-F433 HydrophobicContact CD2-CZ 3.55Å
387	L	83.6	Confident	80	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-80	-39.5	-174.7	-72.3	166.4	0	0	0	113.9	F346 N348 L350 S358 W362 A383 C384	F346-L387 WeakPolarHBondContact CZ-O 3.21Å; N348-L387 VanDerWaalsContact CB-O 3.32Å; N348-L387 WeakPolarHBondContact CB-O 3.44Å; N348-L387 PolarHBondContact ND2-O 2.81Å; L350-L387 HydrophobicContact CD1-CD2 3.76Å; L350-L387 HydrophobicContact CD1-CG 4.36Å; S358-L387 PolarHBondContact OG-O 2.9Å; S358-L387 VanDerWaalsContact OG-O 3.12Å; W362-L387 HydrophobicContact CB-CD1 4.06Å; W362-L387 HydrophobicContact CD2-CD1 3.98Å; W362-L387 HydrophobicContact CE3-CD1 3.4Å; W362-L387 HydrophobicContact CG-CD1 4.31Å; W362-L387 HydrophobicContact CZ3-CD1 4.02Å; A383-L387 PolarHBondContact O-N 3.17Å; A383-L387 VanDerWaalsContact O-N 3.09Å; C384-L387 PolarHBondContact O-N 3Å
388	V	86.1	Confident	80.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-131.4	68.9	-179.4	-72	0	0	0	0	109.7	L333 C336 L339 Y341 T344 F346 Q355 C384	L333-V388 HydrophobicContact CB-CG1 4.21Å; L333-V388 HydrophobicContact CD2-CG1 3.82Å; C336-V388 HydrophobicContact CB-CG2 3.52Å; L339-V388 HydrophobicContact CD1-CG2 3.69Å; Y341-V388 WeakPolarHBondContact CE2-O 3.06Å; Y341-V388 PolarHBondContact OH-O 3.3Å; T344-V388 WeakPolarHBondContact OG1-CA 3.29Å; F346-V388 HydrophobicContact CZ-CG1 4.24Å; Q355-V388 HydrophobicContact CG-CG1 4.31Å; C384-V388 HydrophobicContact CB-CG2 4.44Å; C384-V388 CarbonylContact O-C 3.49Å; C384-V388 WeakPolarHBondContact O-CG2 3.43Å; C384-V388 PolarHBondContact O-N 2.73Å
389	P	86.8	Confident	80.9	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-64.3	149.1	-173	29	-36.6	0	0	0	112.2	T344 N348 F349 T385 C391 K398	T344-P389 VanDerWaalsContact CA-O 3.26Å; T344-P389 WeakPolarHBondContact CA-O 3.11Å; T344-P389 WeakPolarHBondContact CB-O 3.34Å; T344-P389 PolarHBondContact OG1-O 2.03Å; N348-P389 HydrophobicContact CB-CG 4.29Å; F349-P389 HydrophobicContact CD2-CB 3.8Å; F349-P389 HydrophobicContact CD2-CG 4.18Å; F349-P389 HydrophobicContact CE2-CB 3.48Å; F349-P389 VanDerWaalsContact CE2-CB 3.48Å; F349-P389 HydrophobicContact CE2-CG 4.14Å; T385-P389 WeakPolarHBondContact O-CA 3.05Å; P389-C391 PolarHBondContact O-N 2.9Å; P389-K398 HydrophobicContact CB-CB 4.16Å; P389-K398 HydrophobicContact CG-CB 4.16Å; P389-K398 HydrophobicContact CG-CD 4.42Å
390	K	85.3	Confident	81.1	Confident	70 Å²	70	37 Å²	37	30%	0.304	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129.3	178.4	-179	178	-178.3	175.1	0	110.5	Y341 K398 V399 L443	Y341-K390 HydrophobicContact CD1-CB 3.82Å; Y341-K390 HydrophobicContact CD1-CD 3.94Å; Y341-K390 HydrophobicContact CD1-CG 4.02Å; Y341-K390 HydrophobicContact CD2-CB 3.62Å; Y341-K390 HydrophobicContact CD2-CG 3.84Å; Y341-K390 HydrophobicContact CE1-CB 3.85Å; Y341-K390 HydrophobicContact CE2-CB 3.63Å; Y341-K390 HydrophobicContact CE2-CG 4.37Å; Y341-K390 HydrophobicContact CG-CB 3.69Å; Y341-K390 HydrophobicContact CG-CD 3.91Å; Y341-K390 HydrophobicContact CG-CG 3.62Å; K390-K398 CarbonylContact O-C 3.6Å; K390-K398 WeakPolarHBondContact O-CA 3.48Å; K390-V399 HydrophobicContact CB-CB 4.25Å; K390-V399 PolarHBondContact O-N 3.24Å; K390-L443 HydrophobicContact CB-CD1 3.85Å; K390-L443 HydrophobicContact CD-CD2 3.89Å
391	C	84.6	Confident	81.6	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.9	167.7	-167.1	0	0	0	0	109.2	C328 Q343 P389 P393	C328-C391 VanDerWaalsContact CA-SG 3.6Å; C328-C391 HydrophobicContact CB-CB 3.51Å; C328-C391 WeakPolarHBondContact CB-SG 3.49Å; C328-C391 WeakPolarHBondContact SG-CB 3.38Å; C328-C391 CovalentContact SG-SG 2.03Å; C328-C391 PolarHBondContact SG-SG 2.87Å; Q343-C391 HydrophobicContact CB-CB 4.48Å; Q343-C391 PolarHBondContact O-N 3.04Å; P389-C391 PolarHBondContact O-N 2.9Å; C391-P393 WeakPolarHBondContact O-CD 3.03Å
392	D	79.8	Confident	81.9	Confident	44 Å²	44	35.2 Å²	35.2	24%	0.235	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-75.7	117.7	170.8	173.7	23.5	0	0	0	109.6	L394 S395 L396 Q397 V399	D392-L394 PolarHBondContact O-N 3.18Å; D392-L394 VanDerWaalsContact O-N 3.13Å; D392-L394 PolarHBondContact OD1-N 3.27Å; D392-S395 WeakPolarHBondContact CB-OG 3.04Å; D392-S395 VanDerWaalsContact CG-OG 3.31Å; D392-S395 VanDerWaalsContact OD2-CB 3.29Å; D392-S395 WeakPolarHBondContact OD2-CB 3.35Å; D392-S395 PolarHBondContact OD2-N 3.26Å; D392-S395 PolarHBondContact OD2-OG 2.97Å; D392-L396 WeakPolarHBondContact O-CA 3.39Å; D392-L396 PolarHBondContact O-N 3.42Å; D392-Q397 PolarHBondContact N-O 2.01Å; D392-V399 HydrophobicContact CB-CG2 4.2Å
393	P	68.8	Low	82	Confident	81 Å²	81	38 Å²	38	53%	0.526	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18	-175.9	25.5	-35.7	0	0	0	114	C391	C391-P393 WeakPolarHBondContact O-CD 3.03Å
394	L	72.9	Confident	82.1	Confident	164 Å²	164	39.5 Å²	39.5	86%	0.859	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-45	-179.6	-68.2	169.6	0	0	0	112.8	D392	D392-L394 PolarHBondContact O-N 3.18Å; D392-L394 VanDerWaalsContact O-N 3.13Å; D392-L394 PolarHBondContact OD1-N 3.27Å
395	S	74.1	Confident	82.2	Confident	57 Å²	57	39.5 Å²	39.5	40%	0.399	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.8	179.8	65.1	0	0	0	0	113.9	D392 Q397	D392-S395 WeakPolarHBondContact CB-OG 3.04Å; D392-S395 VanDerWaalsContact CG-OG 3.31Å; D392-S395 VanDerWaalsContact OD2-CB 3.29Å; D392-S395 WeakPolarHBondContact OD2-CB 3.35Å; D392-S395 PolarHBondContact OD2-N 3.26Å; D392-S395 PolarHBondContact OD2-OG 2.97Å; S395-Q397 PolarHBondContact O-N 3.04Å; S395-Q397 VanDerWaalsContact O-N 3.14Å; S395-Q397 PolarHBondContact OG-N 3.2Å
396	L	70.1	Confident	82.2	Confident	52 Å²	52	39.5 Å²	39.5	27%	0.272	21%	0.208	S	C	.	.			trans	52.6	26.1	-171.5	-52.8	171.4	0	0	0	112.9	R327 D392	R327-L396 HydrophobicContact CB-CB 4.41Å; R327-L396 HydrophobicContact CB-CD1 4.34Å; R327-L396 HydrophobicContact CB-CD2 4.22Å; R327-L396 HydrophobicContact CG-CD1 3.94Å; D392-L396 WeakPolarHBondContact O-CA 3.39Å; D392-L396 PolarHBondContact O-N 3.42Å
397	Q	75.4	Confident	82.3	Confident	140 Å²	140	46.2 Å²	46.2	65%	0.654	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-101.3	151.6	175.1	-67.4	-164.1	-15.1	0	0	110.7	D392 S395	D392-Q397 PolarHBondContact N-O 2.01Å; S395-Q397 PolarHBondContact O-N 3.04Å; S395-Q397 VanDerWaalsContact O-N 3.14Å; S395-Q397 PolarHBondContact OG-N 3.2Å
398	K	83.6	Confident	82.2	Confident	77 Å²	77	49 Å²	49	34%	0.335	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.7	174.7	57.1	-179	175.2	-174.9	0	110.7	P347 N348 F349 P389 K390	P347-K398 PolarHBondContact O-NZ 3.43Å; N348-K398 PolarHBondContact O-NZ 3.01Å; F349-K398 HydrophobicContact CE1-CD 4Å; F349-K398 HydrophobicContact CE1-CG 4.3Å; F349-K398 HydrophobicContact CE2-CB 4.45Å; F349-K398 HydrophobicContact CE2-CD 4.15Å; F349-K398 HydrophobicContact CE2-CG 4.33Å; F349-K398 HydrophobicContact CZ-CB 4.28Å; F349-K398 HydrophobicContact CZ-CD 3.77Å; F349-K398 HydrophobicContact CZ-CG 3.76Å; P389-K398 HydrophobicContact CB-CB 4.16Å; P389-K398 HydrophobicContact CG-CB 4.16Å; P389-K398 HydrophobicContact CG-CD 4.42Å; K390-K398 CarbonylContact O-C 3.6Å; K390-K398 WeakPolarHBondContact O-CA 3.48Å
399	V	85.3	Confident	82.1	Confident	14 Å²	14	49 Å²	49	9%	0.085	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.2	179.2	-171.8	0	0	0	0	109.3	K390 D392 T441 L443	K390-V399 HydrophobicContact CB-CB 4.25Å; K390-V399 PolarHBondContact O-N 3.24Å; D392-V399 HydrophobicContact CB-CG2 4.2Å; V399-T441 WeakPolarHBondContact CG1-O 3.33Å; V399-L443 HydrophobicContact CB-CG 4.43Å; V399-L443 HydrophobicContact CG1-CD2 4.3Å; V399-L443 HydrophobicContact CG1-CG 3.94Å
400	P	84.4	Confident	82.1	Confident	22 Å²	22	52.3 Å²	52.3	14%	0.143	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-77.6	163.3	179.4	30.2	-33.8	0	0	0	113.3	F349 F433 P434 C442 L443	F349-P400 HydrophobicContact CE1-CB 4.05Å; F349-P400 HydrophobicContact CE2-CB 3.94Å; F349-P400 HydrophobicContact CZ-CB 3.53Å; F349-P400 HydrophobicContact CZ-CG 4.29Å; P400-F433 HydrophobicContact CB-CD1 3.91Å; P400-F433 HydrophobicContact CB-CE1 4.36Å; P400-P434 HydrophobicContact CG-CG 3.94Å; P400-C442 CarbonylContact O-C 3.48Å; P400-C442 VanDerWaalsContact O-CA 3.32Å; P400-C442 WeakPolarHBondContact O-CA 3.4Å; P400-L443 PolarHBondContact O-N 2.66Å
401	P	87.8	Confident	82	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-63.9	153.8	164.2	27.1	-32.3	0	0	0	111.3	Y382 T385 L386 L405 F433	Y382-P401 HydrophobicContact CD2-CB 4.1Å; Y382-P401 HydrophobicContact CD2-CG 4.24Å; Y382-P401 HydrophobicContact CE2-CB 4.31Å; Y382-P401 HydrophobicContact CE2-CG 4.04Å; T385-P401 WeakPolarHBondContact OG1-CB 3.48Å; L386-P401 HydrophobicContact CD2-CG 3.78Å; L386-P401 HydrophobicContact CG-CG 4.47Å; P401-L405 HydrophobicContact CB-CD2 4.17Å; P401-F433 HydrophobicContact CG-CD1 4.18Å; P401-F433 HydrophobicContact CG-CE1 4.05Å; P401-F433 HydrophobicContact CG-CG 4.49Å; P401-F433 HydrophobicContact CG-CZ 4.26Å; P401-F433 WeakPolarHBondContact O-CB 3.34Å
402	C	88.3	Confident	81.8	Confident	2 Å²	2	61 Å²	61	1%	0.014	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-74.3	152.7	175.6	-55.8	0	0	0	0	112.6	S404 L405 C406 D436 C442 L443 L444	C402-S404 VanDerWaalsContact C-N 3.31Å; C402-S404 PolarHBondContact O-N 3.35Å; C402-L405 WeakPolarHBondContact O-CB 3.45Å; C402-L405 PolarHBondContact O-N 2.88Å; C402-C406 PolarHBondContact O-N 3.39Å; C402-D436 WeakPolarHBondContact CB-OD1 3.41Å; C402-D436 PolarHBondContact SG-OD1 3.39Å; C402-C442 HydrophobicContact CB-CB 3.95Å; C402-C442 WeakPolarHBondContact CB-SG 3.03Å; C402-C442 WeakPolarHBondContact SG-CB 3.2Å; C402-C442 CovalentContact SG-SG 2.03Å; C402-C442 PolarHBondContact SG-SG 2.85Å; C402-L443 PolarHBondContact N-O 3.17Å; C402-L443 VanDerWaalsContact N-O 3.09Å; C402-L443 PolarHBondContact SG-O 3.1Å; C402-L444 HydrophobicContact CB-CD2 3.83Å; C402-L444 HydrophobicContact CB-CG 4.17Å
403	R	87.3	Confident	81.9	Confident	58 Å²	58	58.9 Å²	58.9	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-36.6	-179.3	-179.9	177.7	-65.8	175.6	-6.4	113.3	C406 R407 C430 S431 F433 P434 E435	R403-C406 PolarHBondContact O-N 2.92Å; R403-R407 WeakPolarHBondContact O-CG 3.48Å; R403-R407 PolarHBondContact O-N 3.11Å; R403-C430 WeakPolarHBondContact CG-O 3.49Å; R403-C430 PolarHBondContact NE-O 3.49Å; R403-S431 PolarHBondContact NH2-O 2.98Å; R403-F433 HydrophobicContact CB-CB 4.24Å; R403-F433 VanDerWaalsContact CZ-O 3.31Å; R403-F433 PolarHBondContact NE-O 2.86Å; R403-F433 PolarHBondContact NH2-O 3.42Å; R403-F433 VanDerWaalsContact NH2-O 3.11Å; R403-P434 VanDerWaalsContact CB-O 3.27Å; R403-P434 WeakPolarHBondContact CB-O 2.94Å; R403-P434 PolarHBondContact N-O 2.8Å; R403-E435 HydrophobicContact CB-CG 4.44Å; R403-E435 IonicContact CZ-OE1 2.64Å; R403-E435 IonicContact NH1-OE1 2.93Å; R403-E435 PolarHBondContact NH1-OE1 3.39Å
404	S	85.4	Confident	82.4	Confident	35 Å²	35	59 Å²	59	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-44.7	177.3	56.4	0	0	0	0	112	C402 C406 R407 I408 D436	C402-S404 VanDerWaalsContact C-N 3.31Å; C402-S404 PolarHBondContact O-N 3.35Å; S404-C406 VanDerWaalsContact C-N 3.34Å; S404-C406 PolarHBondContact O-N 3.35Å; S404-R407 PolarHBondContact O-N 3.18Å; S404-I408 VanDerWaalsContact O-CG1 3.28Å; S404-I408 WeakPolarHBondContact O-CG1 3.03Å; S404-I408 PolarHBondContact O-N 2.72Å; S404-D436 WeakPolarHBondContact CB-OD2 3.09Å; S404-D436 PolarHBondContact OG-OD1 2.78Å; S404-D436 PolarHBondContact OG-OD2 3.47Å
405	L	85.2	Confident	82.3	Confident	3 Å²	3	55 Å²	55	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.7	-178.4	65.6	0	0	0	111.2	Y376 F381 Y382 P401 C402 A409 L444 P445	Y376-L405 HydrophobicContact CE1-CD1 4.07Å; F381-L405 HydrophobicContact CD1-CD2 3.9Å; F381-L405 HydrophobicContact CE1-CD2 3.95Å; Y382-L405 HydrophobicContact CD2-CD2 4.23Å; Y382-L405 HydrophobicContact CD2-CG 4.14Å; P401-L405 HydrophobicContact CB-CD2 4.17Å; C402-L405 WeakPolarHBondContact O-CB 3.45Å; C402-L405 PolarHBondContact O-N 2.88Å; L405-A409 VanDerWaalsContact O-CB 3.31Å; L405-A409 WeakPolarHBondContact O-CB 2.92Å; L405-A409 PolarHBondContact O-N 3Å; L405-L444 HydrophobicContact CB-CD2 4.17Å; L405-P445 HydrophobicContact CD1-CG 4.28Å
406	C	86.8	Confident	82.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-47.3	175	-177	0	0	0	0	112.2	Y382 C402 R403 S404 I408 A409 K410 C430 F433	Y382-C406 HydrophobicContact CE2-CB 3.68Å; Y382-C406 PolarHBondContact OH-SG 3.17Å; C402-C406 PolarHBondContact O-N 3.39Å; R403-C406 PolarHBondContact O-N 2.92Å; S404-C406 VanDerWaalsContact C-N 3.34Å; S404-C406 PolarHBondContact O-N 3.35Å; C406-I408 PolarHBondContact O-N 2.83Å; C406-A409 PolarHBondContact O-N 2.78Å; C406-K410 WeakPolarHBondContact O-CB 3.11Å; C406-K410 PolarHBondContact O-N 3.31Å; C406-C430 HydrophobicContact CB-CB 3.71Å; C406-C430 WeakPolarHBondContact CB-SG 3.48Å; C406-C430 PolarHBondContact O-SG 2.86Å; C406-C430 WeakPolarHBondContact SG-CA 2.94Å; C406-C430 WeakPolarHBondContact SG-CB 3.24Å; C406-C430 CovalentContact SG-SG 2.04Å; C406-C430 PolarHBondContact SG-SG 2.04Å; C406-F433 HydrophobicContact CB-CD2 3.85Å; C406-F433 HydrophobicContact CB-CE2 4.24Å
407	R	86.2	Confident	82	Confident	144 Å²	144	52 Å²	52	54%	0.543	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-43	-179.3	-78.2	-176.3	174.4	165.9	0.2	112.5	R403 S404 K410 E411 C430	R403-R407 WeakPolarHBondContact O-CG 3.48Å; R403-R407 PolarHBondContact O-N 3.11Å; S404-R407 PolarHBondContact O-N 3.18Å; R407-K410 PolarHBondContact O-N 3.47Å; R407-E411 WeakPolarHBondContact O-CB 3.38Å; R407-E411 PolarHBondContact O-N 2.58Å; R407-C430 HydrophobicContact CG-CB 4.05Å
408	I	83.2	Confident	81.2	Confident	65 Å²	65	48 Å²	48	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-68.5	-41.4	180	-63.7	164.2	0	0	0	110.7	Y376 S404 C406 K412	Y376-I408 HydrophobicContact CD2-CG2 4.3Å; Y376-I408 HydrophobicContact CE1-CG2 4.26Å; Y376-I408 HydrophobicContact CE2-CG2 3.65Å; S404-I408 VanDerWaalsContact O-CG1 3.28Å; S404-I408 WeakPolarHBondContact O-CG1 3.03Å; S404-I408 PolarHBondContact O-N 2.72Å; C406-I408 PolarHBondContact O-N 2.83Å; I408-K412 HydrophobicContact CG2-CD 4.07Å; I408-K412 WeakPolarHBondContact O-CB 3.22Å; I408-K412 WeakPolarHBondContact O-CG 3.45Å; I408-K412 PolarHBondContact O-N 3.37Å; I408-K412 VanDerWaalsContact O-N 3.13Å
409	A	83.9	Confident	80	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-45.2	175.4	0	0	0	0	0	111.2	Y376 L379 Y382 L405 C406 C413 W424	Y376-A409 HydrophobicContact CD1-CB 3.91Å; Y376-A409 HydrophobicContact CE1-CB 4.15Å; L379-A409 HydrophobicContact CD1-CB 4.08Å; Y382-A409 HydrophobicContact CD1-CB 4.1Å; Y382-A409 HydrophobicContact CE1-CB 4.48Å; Y382-A409 HydrophobicContact CG-CB 4.31Å; L405-A409 VanDerWaalsContact O-CB 3.31Å; L405-A409 WeakPolarHBondContact O-CB 2.92Å; L405-A409 PolarHBondContact O-N 3Å; C406-A409 PolarHBondContact O-N 2.78Å; A409-C413 VanDerWaalsContact O-CB 3.27Å; A409-C413 WeakPolarHBondContact O-CB 3.25Å; A409-C413 PolarHBondContact O-N 3.08Å; A409-C413 VanDerWaalsContact O-N 3.14Å; A409-W424 HydrophobicContact CB-CH2 4.48Å
410	K	84.9	Confident	78.5	Confident	68 Å²	68	55.4 Å²	55.4	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-55.8	175.7	-177	173.7	178.1	174.3	0	111.4	C406 R407 K412 C413 E414 W424	C406-K410 WeakPolarHBondContact O-CB 3.11Å; C406-K410 PolarHBondContact O-N 3.31Å; R407-K410 PolarHBondContact O-N 3.47Å; K410-K412 VanDerWaalsContact C-N 3.3Å; K410-K412 PolarHBondContact O-N 3.18Å; K410-C413 PolarHBondContact O-N 3.25Å; K410-E414 WeakPolarHBondContact CE-OE1 3.32Å; K410-E414 WeakPolarHBondContact CE-OE2 3.49Å; K410-E414 HydrophobicContact CG-CB 4.33Å; K410-E414 IonicContact NZ-OE1 3.98Å; K410-E414 WeakPolarHBondContact O-CA 3.28Å; K410-E414 WeakPolarHBondContact O-CB 3.32Å; K410-E414 PolarHBondContact O-N 3.22Å; K410-W424 HydrophobicContact CB-CD2 4.27Å; K410-W424 HydrophobicContact CB-CH2 4.46Å; K410-W424 HydrophobicContact CB-CZ2 4.14Å; K410-W424 HydrophobicContact CD-CD2 4.45Å; K410-W424 HydrophobicContact CD-CG 4.2Å; K410-W424 HydrophobicContact CG-CD2 3.92Å; K410-W424 HydrophobicContact CG-CE3 4.31Å; K410-W424 HydrophobicContact CG-CG 4.11Å
411	E	84	Confident	76.8	Confident	150 Å²	150	57.6 Å²	57.6	70%	0.701	32%	0.318	S	S	*	.	H	α-helix	trans	-56.2	-41.8	-176.6	-174.2	-178.1	178	0	0	112.9	R407	R407-E411 WeakPolarHBondContact O-CB 3.38Å; R407-E411 PolarHBondContact O-N 2.58Å
412	K	81	Confident	75.4	Confident	105 Å²	105	61.9 Å²	61.9	46%	0.457	34%	0.341	S	S	.	.	H	α-helix	trans	-77.4	-30.9	-177.3	-70.8	-174.9	173.2	-169.6	0	113.9	Y376 I408 K410	Y376-K412 HydrophobicContact CD2-CD 3.5Å; Y376-K412 HydrophobicContact CE2-CD 4.12Å; Y376-K412 HydrophobicContact CG-CD 4.13Å; I408-K412 HydrophobicContact CG2-CD 4.07Å; I408-K412 WeakPolarHBondContact O-CB 3.22Å; I408-K412 WeakPolarHBondContact O-CG 3.45Å; I408-K412 PolarHBondContact O-N 3.37Å; I408-K412 VanDerWaalsContact O-N 3.13Å; K410-K412 VanDerWaalsContact C-N 3.3Å; K410-K412 PolarHBondContact O-N 3.18Å
413	C	80.6	Confident	74.2	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-106.8	-17.6	-172.8	-64.5	0	0	0	0	114.1	L370 C375 A409 K410 S415 V416 L417 W424	L370-C413 HydrophobicContact CD2-CB 4.25Å; C375-C413 HydrophobicContact CB-CB 3.92Å; C375-C413 WeakPolarHBondContact CB-SG 3.22Å; C375-C413 WeakPolarHBondContact SG-CB 3.39Å; C375-C413 CovalentContact SG-SG 2.03Å; C375-C413 PolarHBondContact SG-SG 2.94Å; A409-C413 VanDerWaalsContact O-CB 3.27Å; A409-C413 WeakPolarHBondContact O-CB 3.25Å; A409-C413 PolarHBondContact O-N 3.08Å; A409-C413 VanDerWaalsContact O-N 3.14Å; K410-C413 PolarHBondContact O-N 3.25Å; C413-S415 VanDerWaalsContact C-N 3.32Å; C413-S415 PolarHBondContact O-N 2Å; C413-V416 WeakPolarHBondContact O-CB 3.09Å; C413-V416 PolarHBondContact O-N 3.44Å; C413-V416 VanDerWaalsContact O-N 3.12Å; C413-L417 PolarHBondContact O-N 3.12Å; C413-L417 VanDerWaalsContact O-N 3.16Å; C413-W424 HydrophobicContact CB-CZ3 3.95Å
414	E	79.8	Confident	73.5	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.393	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-37.2	177.2	179.6	170.2	-139.9	0	0	111.9	K410 V416 L417 G418	K410-E414 WeakPolarHBondContact CE-OE1 3.32Å; K410-E414 WeakPolarHBondContact CE-OE2 3.49Å; K410-E414 HydrophobicContact CG-CB 4.33Å; K410-E414 IonicContact NZ-OE1 3.98Å; K410-E414 WeakPolarHBondContact O-CA 3.28Å; K410-E414 WeakPolarHBondContact O-CB 3.32Å; K410-E414 PolarHBondContact O-N 3.22Å; E414-V416 PolarHBondContact O-N 3.28Å; E414-L417 PolarHBondContact O-N 2.8Å; E414-G418 PolarHBondContact O-N 3.17Å
415	S	71.8	Confident	72.8	Confident	80 Å²	80	68.1 Å²	68.1	56%	0.559	37%	0.37	S	S	*	.	H	α-helix	trans	-60.9	-31.7	173.9	63.5	0	0	0	0	112.9	C413	C413-S415 VanDerWaalsContact C-N 3.32Å; C413-S415 PolarHBondContact O-N 2Å
416	V	70.2	Confident	71.8	Confident	41 Å²	41	76.1 Å²	76.1	25%	0.248	41%	0.408	C	S	.	.	H	α-helix	trans	-76.7	-39	177.7	-177.9	0	0	0	0	111.1	L370 T373 C375 C413 E414 G418 I419	L370-V416 HydrophobicContact CD2-CB 4.26Å; L370-V416 HydrophobicContact CD2-CG1 4.21Å; T373-V416 HydrophobicContact CG2-CG1 3.84Å; C375-V416 HydrophobicContact CB-CG2 3.95Å; C413-V416 WeakPolarHBondContact O-CB 3.09Å; C413-V416 PolarHBondContact O-N 3.44Å; C413-V416 VanDerWaalsContact O-N 3.12Å; E414-V416 PolarHBondContact O-N 3.28Å; V416-G418 VanDerWaalsContact C-N 3.29Å; V416-G418 PolarHBondContact O-N 3.21Å; V416-I419 WeakPolarHBondContact O-CB 3.44Å; V416-I419 PolarHBondContact O-N 2.02Å
417	L	66	Low	70.7	Confident	5 Å²	5	81.7 Å²	81.7	3%	0.026	44%	0.437	C	S	.	.	H	α-helix	trans	-62.8	-35.6	172.9	-71.4	-179.4	0	0	0	112.6	L366 L370 C413 E414 I419 V420 G421 L422 W424	L366-L417 HydrophobicContact CB-CD2 4.4Å; L370-L417 HydrophobicContact CD1-CD1 4.04Å; L370-L417 HydrophobicContact CD1-CD2 3.73Å; L370-L417 HydrophobicContact CD1-CG 3.93Å; L370-L417 HydrophobicContact CD2-CD2 3.73Å; L370-L417 HydrophobicContact CD2-CG 3.86Å; L370-L417 HydrophobicContact CG-CD2 3.79Å; L370-L417 HydrophobicContact CG-CG 4.26Å; C413-L417 PolarHBondContact O-N 3.12Å; C413-L417 VanDerWaalsContact O-N 3.16Å; E414-L417 PolarHBondContact O-N 2.8Å; L417-I419 PolarHBondContact O-N 2.73Å; L417-V420 VanDerWaalsContact O-CG2 3.22Å; L417-V420 WeakPolarHBondContact O-CG2 3Å; L417-V420 PolarHBondContact O-N 3.05Å; L417-G421 PolarHBondContact O-N 3.14Å; L417-L422 CarbonylContact C-O 3.23Å; L417-L422 WeakPolarHBondContact CB-O 3.32Å; L417-L422 HydrophobicContact CD2-CB 4.21Å; L417-L422 PolarHBondContact O-N 3.24Å; L417-L422 VanDerWaalsContact O-N 3.11Å; L417-W424 HydrophobicContact CD1-CB 4.41Å; L417-W424 HydrophobicContact CD1-CE3 3.71Å; L417-W424 HydrophobicContact CD1-CZ3 4.38Å
418	G	60.5	Low	69.7	Low	55 Å²	55	74.8 Å²	74.8	57%	0.567	41%	0.411	S	S	*	.	H	α-helix	trans	-61.6	-27.5	175.8	0	0	0	0	0	114.1	E414 V416 V420	E414-G418 PolarHBondContact O-N 3.17Å; V416-G418 VanDerWaalsContact C-N 3.29Å; V416-G418 PolarHBondContact O-N 3.21Å; G418-V420 VanDerWaalsContact C-N 3.34Å
419	I	57.4	Low	69.3	Low	143 Å²	143	75.2 Å²	75.2	73%	0.733	41%	0.414	S	S	*	.	H	α-helix	trans	-70.8	-31.2	178	-62.4	168.3	0	0	0	111.5	V416 L417	V416-I419 WeakPolarHBondContact O-CB 3.44Å; V416-I419 PolarHBondContact O-N 2.02Å; L417-I419 PolarHBondContact O-N 2.73Å
420	V	53.3	Low	69.1	Low	103 Å²	103	75.6 Å²	75.6	62%	0.624	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	4.9	-179.3	-74.7	0	0	0	0	113.4	L417 G418 L422	L417-V420 VanDerWaalsContact O-CG2 3.22Å; L417-V420 WeakPolarHBondContact O-CG2 3Å; L417-V420 PolarHBondContact O-N 3.05Å; G418-V420 VanDerWaalsContact C-N 3.34Å; V420-L422 VanDerWaalsContact C-N 3.31Å; V420-L422 HydrophobicContact CG2-CB 4.36Å; V420-L422 HydrophobicContact CG2-CD1 4.1Å; V420-L422 HydrophobicContact CG2-CG 4.27Å; V420-L422 PolarHBondContact O-N 3.26Å
421	G	49.5	Very low	68.8	Low	69 Å²	69	75.5 Å²	75.5	71%	0.711	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	20.4	178.1	0	0	0	0	0	114.5	L417	L417-G421 PolarHBondContact O-N 3.14Å
422	L	58.8	Low	68.5	Low	89 Å²	89	74.8 Å²	74.8	47%	0.466	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-102.7	145.6	177.6	-64.9	173.9	0	0	0	110.3	L366 L417 V420	L366-L422 HydrophobicContact CD2-CB 4.4Å; L366-L422 HydrophobicContact CD2-CD1 4.36Å; L417-L422 CarbonylContact C-O 3.23Å; L417-L422 WeakPolarHBondContact CB-O 3.32Å; L417-L422 HydrophobicContact CD2-CB 4.21Å; L417-L422 PolarHBondContact O-N 3.24Å; L417-L422 VanDerWaalsContact O-N 3.11Å; V420-L422 VanDerWaalsContact C-N 3.31Å; V420-L422 HydrophobicContact CG2-CB 4.36Å; V420-L422 HydrophobicContact CG2-CD1 4.1Å; V420-L422 HydrophobicContact CG2-CG 4.27Å; V420-L422 PolarHBondContact O-N 3.26Å
423	Q	62.7	Low	68.6	Low	170 Å²	170	70.1 Å²	70.1	79%	0.794	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-100.7	152	176.1	-68	-176.1	-3.5	0	0	110.9
424	W	73.1	Confident	68.8	Low	23 Å²	23	71.3 Å²	71.3	9%	0.087	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-63.2	131.6	176	-170.5	-85.7	0	0	0	110.2	F367 L370 L379 Y382 A409 K410 C413 L417 E426 S428	F367-W424 HydrophobicContact CE1-CH2 4.32Å; F367-W424 HydrophobicContact CE1-CZ2 4.44Å; L370-W424 HydrophobicContact CD1-CZ3 4.37Å; L379-W424 HydrophobicContact CD1-CH2 4.33Å; Y382-W424 HydrophobicContact CE1-CZ2 4.08Å; A409-W424 HydrophobicContact CB-CH2 4.48Å; K410-W424 HydrophobicContact CB-CD2 4.27Å; K410-W424 HydrophobicContact CB-CH2 4.46Å; K410-W424 HydrophobicContact CB-CZ2 4.14Å; K410-W424 HydrophobicContact CD-CD2 4.45Å; K410-W424 HydrophobicContact CD-CG 4.2Å; K410-W424 HydrophobicContact CG-CD2 3.92Å; K410-W424 HydrophobicContact CG-CE3 4.31Å; K410-W424 HydrophobicContact CG-CG 4.11Å; C413-W424 HydrophobicContact CB-CZ3 3.95Å; L417-W424 HydrophobicContact CD1-CB 4.41Å; L417-W424 HydrophobicContact CD1-CE3 3.71Å; L417-W424 HydrophobicContact CD1-CZ3 4.38Å; W424-E426 PolarHBondContact O-N 3.09Å; W424-S428 VanDerWaalsContact CD1-OG 3.26Å; W424-S428 PolarHBondContact NE1-OG 2.91Å
425	P	69.8	Low	68.7	Low	33 Å²	33	72.5 Å²	72.5	21%	0.214	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-59	135.7	-171.3	8.6	-17	0	0	0	113.5	L366 F367 D427 S428	L366-P425 HydrophobicContact CD1-CB 4.47Å; L366-P425 HydrophobicContact CD1-CG 3.67Å; F367-P425 HydrophobicContact CE2-CG 4.21Å; F367-P425 HydrophobicContact CZ-CG 4.15Å; P425-D427 VanDerWaalsContact C-N 3.28Å; P425-D427 PolarHBondContact O-N 3.26Å; P425-S428 PolarHBondContact O-N 3.24Å; P425-S428 VanDerWaalsContact O-N 3.16Å; P425-S428 PolarHBondContact O-OG 3.18Å
426	E	65	Low	68.8	Low	172 Å²	172	72 Å²	72	80%	0.804	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-63.3	-33.1	-179.7	-64.3	-170	168.1	0	0	112.4	W424 S428 D429	W424-E426 PolarHBondContact O-N 3.09Å; E426-S428 PolarHBondContact O-N 3.18Å; E426-D429 PolarHBondContact O-N 3.14Å
427	D	63.2	Low	68.4	Low	116 Å²	116	74.2 Å²	74.2	62%	0.62	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-69.3	-0.1	177.1	-58.2	-46.1	0	0	0	114.2	L350 P425	L350-D427 HydrophobicContact CD2-CB 4.09Å; P425-D427 VanDerWaalsContact C-N 3.28Å; P425-D427 PolarHBondContact O-N 3.26Å
428	S	64.6	Low	68.4	Low	0 Å²	0	76.2 Å²	76.2	0%	0	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-120.3	30.7	179	66.3	0	0	0	0	113	W424 P425 E426 C430	W424-S428 VanDerWaalsContact CD1-OG 3.26Å; W424-S428 PolarHBondContact NE1-OG 2.91Å; P425-S428 PolarHBondContact O-N 3.24Å; P425-S428 VanDerWaalsContact O-N 3.16Å; P425-S428 PolarHBondContact O-OG 3.18Å; E426-S428 PolarHBondContact O-N 3.18Å; S428-C430 PolarHBondContact O-N 3.09Å; S428-C430 VanDerWaalsContact O-N 3.12Å
429	D	74.8	Confident	68.4	Low	73 Å²	73	82.3 Å²	82.3	39%	0.39	48%	0.478	S	S	.	.			trans	-61.4	114.5	174.7	-177.1	10.8	0	0	0	111.5	E426 S431 Q432	E426-D429 PolarHBondContact O-N 3.14Å; D429-S431 PolarHBondContact O-N 2.88Å; D429-S431 PolarHBondContact OD1-N 3.08Å; D429-S431 VanDerWaalsContact OD1-N 3.08Å; D429-S431 PolarHBondContact OD1-OG 2.9Å; D429-S431 WeakPolarHBondContact OD2-CB 3.08Å; D429-S431 PolarHBondContact OD2-OG 3.35Å; D429-Q432 HydrophobicContact CB-CG 4.45Å; D429-Q432 WeakPolarHBondContact O-CB 3.46Å; D429-Q432 PolarHBondContact O-N 2.96Å
430	C	80.3	Confident	68.9	Low	9 Å²	9	78.5 Å²	78.5	6%	0.061	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-59.9	-17.1	-179.4	-55.7	0	0	0	0	114	R403 C406 R407 S428 Q432 F433	R403-C430 WeakPolarHBondContact CG-O 3.49Å; R403-C430 PolarHBondContact NE-O 3.49Å; C406-C430 HydrophobicContact CB-CB 3.71Å; C406-C430 WeakPolarHBondContact CB-SG 3.48Å; C406-C430 PolarHBondContact O-SG 2.86Å; C406-C430 WeakPolarHBondContact SG-CA 2.94Å; C406-C430 WeakPolarHBondContact SG-CB 3.24Å; C406-C430 CovalentContact SG-SG 2.04Å; C406-C430 PolarHBondContact SG-SG 2.04Å; R407-C430 HydrophobicContact CG-CB 4.05Å; S428-C430 PolarHBondContact O-N 3.09Å; S428-C430 VanDerWaalsContact O-N 3.12Å; C430-Q432 PolarHBondContact O-N 2.97Å; C430-F433 PolarHBondContact O-N 2.87Å
431	S	78.4	Confident	70.1	Confident	66 Å²	66	78.7 Å²	78.7	46%	0.462	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-61.9	-26.5	175.1	80.8	0	0	0	0	112.8	R403 D429 F433	R403-S431 PolarHBondContact NH2-O 2.98Å; D429-S431 PolarHBondContact O-N 2.88Å; D429-S431 PolarHBondContact OD1-N 3.08Å; D429-S431 VanDerWaalsContact OD1-N 3.08Å; D429-S431 PolarHBondContact OD1-OG 2.9Å; D429-S431 WeakPolarHBondContact OD2-CB 3.08Å; D429-S431 PolarHBondContact OD2-OG 3.35Å; S431-F433 VanDerWaalsContact C-N 3.33Å; S431-F433 PolarHBondContact O-N 3.39Å
432	Q	78.7	Confident	71.7	Confident	134 Å²	134	76.9 Å²	76.9	63%	0.626	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-77.9	-16.3	-176.5	-58.6	-177.6	-0.4	0	0	113.5	D429 C430	D429-Q432 HydrophobicContact CB-CG 4.45Å; D429-Q432 WeakPolarHBondContact O-CB 3.46Å; D429-Q432 PolarHBondContact O-N 2.96Å; C430-Q432 PolarHBondContact O-N 2.97Å
433	F	83	Confident	72.8	Confident	8 Å²	8	73.5 Å²	73.5	4%	0.035	42%	0.424	C	S	.	.	S	Bend	trans	-92.6	148.9	-177.6	-58.9	-53.9	0	0	0	112.8	L386 P400 P401 R403 C406 C430 S431	L386-F433 HydrophobicContact CD2-CE1 3.99Å; L386-F433 HydrophobicContact CD2-CE2 4.44Å; L386-F433 HydrophobicContact CD2-CZ 3.55Å; P400-F433 HydrophobicContact CB-CD1 3.91Å; P400-F433 HydrophobicContact CB-CE1 4.36Å; P401-F433 HydrophobicContact CG-CD1 4.18Å; P401-F433 HydrophobicContact CG-CE1 4.05Å; P401-F433 HydrophobicContact CG-CG 4.49Å; P401-F433 HydrophobicContact CG-CZ 4.26Å; P401-F433 WeakPolarHBondContact O-CB 3.34Å; R403-F433 HydrophobicContact CB-CB 4.24Å; R403-F433 VanDerWaalsContact CZ-O 3.31Å; R403-F433 PolarHBondContact NE-O 2.86Å; R403-F433 PolarHBondContact NH2-O 3.42Å; R403-F433 VanDerWaalsContact NH2-O 3.11Å; C406-F433 HydrophobicContact CB-CD2 3.85Å; C406-F433 HydrophobicContact CB-CE2 4.24Å; C430-F433 PolarHBondContact O-N 2.87Å; S431-F433 VanDerWaalsContact C-N 3.33Å; S431-F433 PolarHBondContact O-N 3.39Å
434	P	83.7	Confident	73.6	Confident	24 Å²	24	69.1 Å²	69.1	16%	0.156	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-72.5	157.3	177.5	30.6	-37.2	0	0	0	113.4	P400 R403 S440 C442	P400-P434 HydrophobicContact CG-CG 3.94Å; R403-P434 VanDerWaalsContact CB-O 3.27Å; R403-P434 WeakPolarHBondContact CB-O 2.94Å; R403-P434 PolarHBondContact N-O 2.8Å; P434-S440 WeakPolarHBondContact CB-OG 3.28Å; P434-C442 HydrophobicContact CG-CB 3.63Å
435	E	78.9	Confident	73.5	Confident	110 Å²	110	69.4 Å²	69.4	51%	0.514	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-85.1	150.7	177.8	-71.3	-172.5	178	0	0	113.2	R403 G437 G438	R403-E435 HydrophobicContact CB-CG 4.44Å; R403-E435 IonicContact CZ-OE1 2.64Å; R403-E435 IonicContact NH1-OE1 2.93Å; R403-E435 PolarHBondContact NH1-OE1 3.39Å; E435-G437 PolarHBondContact O-N 2.84Å; E435-G438 PolarHBondContact O-N 3.3Å
436	D	71.9	Confident	73.3	Confident	68 Å²	68	74.5 Å²	74.5	36%	0.364	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	124.6	-178.6	-46.2	-78.1	0	0	0	111.2	C402 S404 L444	C402-D436 WeakPolarHBondContact CB-OD1 3.41Å; C402-D436 PolarHBondContact SG-OD1 3.39Å; S404-D436 WeakPolarHBondContact CB-OD2 3.09Å; S404-D436 PolarHBondContact OG-OD1 2.78Å; S404-D436 PolarHBondContact OG-OD2 3.47Å; D436-L444 WeakPolarHBondContact OD1-CD1 3.22Å; D436-L444 WeakPolarHBondContact OD1-CD2 3.26Å
437	G	63.2	Low	72.4	Confident	89 Å²	89	74.8 Å²	74.8	92%	0.918	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	12.2	179.9	0	0	0	0	0	115.2	E435	E435-G437 PolarHBondContact O-N 2.84Å
438	G	64.8	Low	71.9	Confident	46 Å²	46	72.6 Å²	72.6	47%	0.474	44%	0.443	S	S	.	.	S	Bend	trans	-78.3	-175	171.5	0	0	0	0	0	114.7	E435 S440	E435-G438 PolarHBondContact O-N 3.3Å; G438-S440 PolarHBondContact O-N 2.01Å
439	N	61.8	Low	71.4	Confident	184 Å²	184	74 Å²	74	98%	0.984	45%	0.452	S	S	*	.	S	Bend	trans	-69.8	-14.6	-180	-74	-6.4	0	0	0	114.4
440	S	67.6	Low	70.5	Confident	63 Å²	63	76.7 Å²	76.7	44%	0.441	47%	0.466	S	S	.	.	S	Bend	trans	-109.5	134	-179.3	53.9	0	0	0	0	111	P434 G438	P434-S440 WeakPolarHBondContact CB-OG 3.28Å; G438-S440 PolarHBondContact O-N 2.01Å
441	T	78.4	Confident	69.4	Low	106 Å²	106	79 Å²	79	65%	0.65	48%	0.476	S	S	*	.			trans	-69.4	137.3	178.7	49	0	0	0	0	111.3	V399	V399-T441 WeakPolarHBondContact CG1-O 3.33Å
442	C	82.5	Confident	68.4	Low	31 Å²	31	76.6 Å²	76.6	21%	0.209	46%	0.459	C	S	.	.			trans	-143.4	160	176.4	68.3	0	0	0	0	110.7	P400 C402 P434	P400-C442 CarbonylContact O-C 3.48Å; P400-C442 VanDerWaalsContact O-CA 3.32Å; P400-C442 WeakPolarHBondContact O-CA 3.4Å; C402-C442 HydrophobicContact CB-CB 3.95Å; C402-C442 WeakPolarHBondContact CB-SG 3.03Å; C402-C442 WeakPolarHBondContact SG-CB 3.2Å; C402-C442 CovalentContact SG-SG 2.03Å; C402-C442 PolarHBondContact SG-SG 2.85Å; P434-C442 HydrophobicContact CG-CB 3.63Å
443	L	82.4	Confident	67.3	Low	19 Å²	19	70.6 Å²	70.6	10%	0.099	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-95.6	129.3	-175.5	-63.4	172.9	0	0	0	112.1	Y341 T385 K390 V399 P400 C402	Y341-L443 HydrophobicContact CD1-CD1 4.49Å; Y341-L443 HydrophobicContact CE1-CD1 3.78Å; T385-L443 HydrophobicContact CG2-CB 4.46Å; T385-L443 HydrophobicContact CG2-CD1 3.88Å; K390-L443 HydrophobicContact CB-CD1 3.85Å; K390-L443 HydrophobicContact CD-CD2 3.89Å; V399-L443 HydrophobicContact CB-CG 4.43Å; V399-L443 HydrophobicContact CG1-CD2 4.3Å; V399-L443 HydrophobicContact CG1-CG 3.94Å; P400-L443 PolarHBondContact O-N 2.66Å; C402-L443 PolarHBondContact N-O 3.17Å; C402-L443 VanDerWaalsContact N-O 3.09Å; C402-L443 PolarHBondContact SG-O 3.1Å
444	L	80.3	Confident	65.7	Low	78 Å²	78	73 Å²	73	41%	0.408	45%	0.448	S	S	.	.			trans	-119.3	153.6	165.8	-73.5	174.4	0	0	0	109.5	C402 L405 D436 E446	C402-L444 HydrophobicContact CB-CD2 3.83Å; C402-L444 HydrophobicContact CB-CG 4.17Å; L405-L444 HydrophobicContact CB-CD2 4.17Å; D436-L444 WeakPolarHBondContact OD1-CD1 3.22Å; D436-L444 WeakPolarHBondContact OD1-CD2 3.26Å; L444-E446 PolarHBondContact O-N 2.77Å
445	P	71	Confident	64.1	Low	29 Å²	29	73.8 Å²	73.8	19%	0.188	45%	0.454	C	S	.	.			trans	-64.2	129.4	169.3	26.4	-31.7	0	0	0	109.9	Y378 F381 L405	Y378-P445 HydrophobicContact CD1-CB 3.75Å; Y378-P445 HydrophobicContact CD1-CG 4.13Å; Y378-P445 HydrophobicContact CD2-CB 4.37Å; Y378-P445 HydrophobicContact CD2-CG 3.87Å; Y378-P445 HydrophobicContact CE1-CB 3.89Å; Y378-P445 HydrophobicContact CE1-CG 4.4Å; Y378-P445 HydrophobicContact CE2-CB 4.47Å; Y378-P445 HydrophobicContact CE2-CG 4.13Å; Y378-P445 HydrophobicContact CG-CB 4.02Å; Y378-P445 HydrophobicContact CG-CG 3.87Å; F381-P445 HydrophobicContact CD1-CB 4.21Å; F381-P445 HydrophobicContact CE1-CB 4.22Å; L405-P445 HydrophobicContact CD1-CG 4.28Å
446	E	64.3	Low	63.3	Low	140 Å²	140	71 Å²	71	65%	0.654	44%	0.441	S	S	*	.			trans	-80.8	156	171.6	-66.5	-173.2	174.9	0	0	110.8	L444 G448 V449	L444-E446 PolarHBondContact O-N 2.77Å; E446-G448 PolarHBondContact O-N 3.14Å; E446-V449 HydrophobicContact CB-CG2 4.44Å; E446-V449 PolarHBondContact O-N 3.25Å
447	D	46.6	Very low	63.2	Low	177 Å²	177	69.8 Å²	69.8	95%	0.947	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	79.3	175.1	-72.7	-39.2	0	0	0	110.5
448	G	52.1	Low	63.5	Low	71 Å²	71	69.6 Å²	69.6	73%	0.732	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	149.4	2.6	-178.1	0	0	0	0	0	116.5	E446 D450	E446-G448 PolarHBondContact O-N 3.14Å; G448-D450 PolarHBondContact O-N 3.06Å
449	V	54.8	Low	63.9	Low	30 Å²	30	67.5 Å²	67.5	18%	0.182	39%	0.385	C	S	.	.			trans	-72.6	119.5	171.7	-178.5	0	0	0	0	109.4	F381 E446 E451	F381-V449 HydrophobicContact CD2-CG1 4.03Å; F381-V449 HydrophobicContact CE2-CG1 4.48Å; E446-V449 HydrophobicContact CB-CG2 4.44Å; E446-V449 PolarHBondContact O-N 3.25Å; V449-E451 PolarHBondContact O-N 3.31Å
450	D	55	Low	64.4	Low	128 Å²	128	68 Å²	68	68%	0.684	37%	0.373	S	S	*	.			trans	-60.8	129.4	178.7	-85.7	-40.3	0	0	0	111.6	G448 C452	G448-D450 PolarHBondContact O-N 3.06Å; D450-C452 PolarHBondContact O-N 2.89Å
451	E	57.4	Low	64.2	Low	57 Å²	57	68 Å²	68	27%	0.266	37%	0.373	S	S	.	.	S	Bend	trans	-72.8	-1.9	-171.6	-69.4	169.7	155	0	0	114.6	Q377 V449 K458 C464	Q377-E451 HydrophobicContact CB-CG 4.46Å; V449-E451 PolarHBondContact O-N 3.31Å; E451-K458 WeakPolarHBondContact OE2-CE 3.43Å; E451-K458 IonicContact OE2-NZ 3.11Å; E451-K458 PolarHBondContact OE2-NZ 3.03Å; E451-C464 PolarHBondContact O-SG 3.4Å
452	C	57.2	Low	63.5	Low	16 Å²	16	64.9 Å²	64.9	11%	0.108	36%	0.362	C	S	.	.	S	Bend	trans	-127.4	144.5	-178.4	-58.1	0	0	0	0	112.2	D450 H456 K458 C464	D450-C452 PolarHBondContact O-N 2.89Å; C452-H456 HydrophobicContact CB-CB 4.28Å; C452-K458 HydrophobicContact CB-CB 4.35Å; C452-K458 VanDerWaalsContact SG-CB 3.55Å; C452-C464 VanDerWaalsContact CA-SG 3.54Å; C452-C464 HydrophobicContact CB-CB 3.85Å; C452-C464 WeakPolarHBondContact CB-SG 3.06Å; C452-C464 WeakPolarHBondContact SG-CB 3.44Å; C452-C464 CovalentContact SG-SG 2.03Å; C452-C464 PolarHBondContact SG-SG 3.22Å
453	S	55.4	Low	62.4	Low	9 Å²	9	69.3 Å²	69.3	6%	0.063	37%	0.374	C	S	.	.			trans	-62.6	160.1	177.3	-62.6	0	0	0	0	113.2	M380 S455 H456	M380-S453 WeakPolarHBondContact CE-OG 3.36Å; S453-S455 PolarHBondContact O-N 2.87Å; S453-S455 VanDerWaalsContact O-N 3.12Å; S453-H456 WeakPolarHBondContact O-CA 3.42Å; S453-H456 PolarHBondContact O-N 2.96Å
454	P	50.2	Low	61.7	Low	57 Å²	57	70.6 Å²	70.6	37%	0.37	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.7	179.2	-19.4	29.9	0	0	0	114.1	E334 M337 N338 H456	E334-P454 WeakPolarHBondContact O-CG 3.18Å; M337-P454 HydrophobicContact CB-CG 4.28Å; N338-P454 HydrophobicContact CB-CG 4.34Å; P454-H456 VanDerWaalsContact C-N 3.26Å
455	S	51.2	Low	61.1	Low	41 Å²	41	67.6 Å²	67.6	29%	0.287	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	5.7	175.3	57.7	0	0	0	0	113.4	S453 L466 A467	S453-S455 PolarHBondContact O-N 2.87Å; S453-S455 VanDerWaalsContact O-N 3.12Å; S455-L466 CarbonylContact O-C 3.58Å; S455-L466 WeakPolarHBondContact O-CA 3.49Å; S455-A467 WeakPolarHBondContact O-CB 3.44Å; S455-A467 PolarHBondContact O-N 2.6Å
456	H	62.2	Low	60.4	Low	52 Å²	52	70 Å²	70	24%	0.241	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.4	-176	-71.4	68.9	0	0	0	111.8	C452 S453 P454 C464 V465	C452-H456 HydrophobicContact CB-CB 4.28Å; S453-H456 WeakPolarHBondContact O-CA 3.42Å; S453-H456 PolarHBondContact O-N 2.96Å; P454-H456 VanDerWaalsContact C-N 3.26Å; H456-C464 HydrophobicContact CB-CB 4.27Å; H456-V465 CarbonylContact C-O 3.6Å; H456-V465 VanDerWaalsContact C-O 3.23Å; H456-V465 WeakPolarHBondContact CA-O 3.4Å; H456-V465 WeakPolarHBondContact CB-O 3.41Å
457	F	69.1	Low	60.1	Low	43 Å²	43	65.4 Å²	65.4	19%	0.189	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.2	171	174.8	-103.5	0	0	0	110.8	C464 V465 R470 S481 D482	F457-C464 WeakPolarHBondContact O-CA 3.5Å; F457-V465 HydrophobicContact CB-CG2 3.99Å; F457-V465 HydrophobicContact CD1-CG2 3.83Å; F457-V465 HydrophobicContact CG-CG2 4.42Å; F457-V465 PolarHBondContact N-O 3.29Å; F457-V465 WeakPolarHBondContact O-CG2 3.46Å; F457-V465 PolarHBondContact O-N 3.06Å; F457-R470 HydrophobicContact CB-CB 4.08Å; F457-R470 HydrophobicContact CB-CG 4.3Å; F457-R470 HydrophobicContact CD1-CB 4.4Å; F457-R470 HydrophobicContact CD1-CG 4.01Å; F457-R470 HydrophobicContact CD2-CG 4Å; F457-R470 HydrophobicContact CE1-CG 4.33Å; F457-R470 HydrophobicContact CE2-CG 4.29Å; F457-R470 HydrophobicContact CG-CB 4.13Å; F457-R470 HydrophobicContact CG-CG 3.82Å; F457-R470 HydrophobicContact CZ-CG 4.44Å; F457-S481 VanDerWaalsContact CE1-O 3.3Å; F457-S481 WeakPolarHBondContact CE1-O 3.48Å; F457-S481 VanDerWaalsContact CZ-O 3.31Å; F457-S481 WeakPolarHBondContact CZ-O 3.49Å; F457-D482 HydrophobicContact CD1-CB 4.27Å; F457-D482 HydrophobicContact CE1-CB 4.26Å
458	K	69.4	Low	60.7	Low	84 Å²	84	62 Å²	62	37%	0.365	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.9	175.5	-172.9	176.9	-175.1	176	0	110.1	E451 C452	E451-K458 WeakPolarHBondContact OE2-CE 3.43Å; E451-K458 IonicContact OE2-NZ 3.11Å; E451-K458 PolarHBondContact OE2-NZ 3.03Å; C452-K458 HydrophobicContact CB-CB 4.35Å; C452-K458 VanDerWaalsContact SG-CB 3.55Å
459	C	73	Confident	61.2	Low	2 Å²	2	61.3 Å²	61.3	1%	0.014	33%	0.329	C	S	.	.			trans	-63.1	149.8	168.6	-52.1	0	0	0	0	110.2	S461 G462 R463 C477 D479	C459-S461 VanDerWaalsContact CB-OG 3.22Å; C459-S461 WeakPolarHBondContact CB-OG 3.49Å; C459-S461 PolarHBondContact O-N 3.43Å; C459-G462 PolarHBondContact O-N 3.2Å; C459-R463 HydrophobicContact CB-CB 4.28Å; C459-R463 VanDerWaalsContact CB-O 3.26Å; C459-R463 WeakPolarHBondContact CB-O 3.42Å; C459-R463 PolarHBondContact N-O 3.43Å; C459-R463 PolarHBondContact SG-O 3.07Å; C459-C477 HydrophobicContact CB-CB 3.7Å; C459-C477 WeakPolarHBondContact CB-SG 3.42Å; C459-C477 WeakPolarHBondContact SG-CB 3.36Å; C459-C477 CovalentContact SG-SG 2.01Å; C459-C477 PolarHBondContact SG-SG 3.17Å; C459-D479 WeakPolarHBondContact CB-OD1 3.36Å
460	R	72.8	Confident	61.8	Low	194 Å²	194	64.4 Å²	64.4	73%	0.732	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	175.5	-167.3	-170.3	-54.6	163	12.1	111.7	G462 D479 S481 D484	R460-G462 PolarHBondContact O-N 2.83Å; R460-D479 WeakPolarHBondContact CA-OD2 3.07Å; R460-D479 WeakPolarHBondContact CB-OD2 3.1Å; R460-D479 PolarHBondContact N-OD2 3.16Å; R460-S481 WeakPolarHBondContact CB-OG 3.37Å; R460-S481 PolarHBondContact N-OG 3.23Å; R460-D484 IonicContact CZ-OD2 2.96Å; R460-D484 IonicContact NH2-OD2 2.65Å; R460-D484 PolarHBondContact NH2-OD2 2.63Å
461	S	63.5	Low	62.1	Low	64 Å²	64	59.4 Å²	59.4	45%	0.448	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.2	168	54.5	0	0	0	0	115	C459 D479	C459-S461 VanDerWaalsContact CB-OG 3.22Å; C459-S461 WeakPolarHBondContact CB-OG 3.49Å; C459-S461 PolarHBondContact O-N 3.43Å; S461-D479 VanDerWaalsContact CB-CG 3.48Å; S461-D479 VanDerWaalsContact CB-OD1 3.3Å; S461-D479 WeakPolarHBondContact CB-OD1 3.32Å; S461-D479 PolarHBondContact N-OD2 3Å; S461-D479 PolarHBondContact OG-OD1 2.8Å
462	G	62.3	Low	62.2	Low	41 Å²	41	59 Å²	59	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	93	-1.1	179.6	0	0	0	0	0	115.1	C459 R460	C459-G462 PolarHBondContact O-N 3.2Å; R460-G462 PolarHBondContact O-N 2.83Å
463	R	60.9	Low	62.3	Low	123 Å²	123	60.7 Å²	60.7	46%	0.464	33%	0.332	S	S	.	.			trans	-79.8	144.5	173.6	-171	173.5	-175	-173.1	-6.9	111.2	C459 D478	C459-R463 HydrophobicContact CB-CB 4.28Å; C459-R463 VanDerWaalsContact CB-O 3.26Å; C459-R463 WeakPolarHBondContact CB-O 3.42Å; C459-R463 PolarHBondContact N-O 3.43Å; C459-R463 PolarHBondContact SG-O 3.07Å; R463-D478 VanDerWaalsContact CD-OD2 3.29Å; R463-D478 WeakPolarHBondContact CD-OD2 3.44Å; R463-D478 IonicContact CZ-OD2 3.96Å; R463-D478 IonicContact NE-OD2 3.92Å; R463-D478 VanDerWaalsContact NH1-CG 3.34Å; R463-D478 IonicContact NH1-OD1 3.21Å; R463-D478 PolarHBondContact NH1-OD1 3.42Å; R463-D478 VanDerWaalsContact NH1-OD1 3.09Å; R463-D478 IonicContact NH1-OD2 3.94Å; R463-D478 PolarHBondContact NH1-OD2 3.1Å
464	C	67	Low	62.5	Low	47 Å²	47	65.9 Å²	65.9	32%	0.318	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.7	173.8	-54.8	0	0	0	0	110.2	E451 C452 H456 F457	E451-C464 PolarHBondContact O-SG 3.4Å; C452-C464 VanDerWaalsContact CA-SG 3.54Å; C452-C464 HydrophobicContact CB-CB 3.85Å; C452-C464 WeakPolarHBondContact CB-SG 3.06Å; C452-C464 WeakPolarHBondContact SG-CB 3.44Å; C452-C464 CovalentContact SG-SG 2.03Å; C452-C464 PolarHBondContact SG-SG 3.22Å; H456-C464 HydrophobicContact CB-CB 4.27Å; F457-C464 WeakPolarHBondContact O-CA 3.5Å
465	V	66.6	Low	63.3	Low	14 Å²	14	68.7 Å²	68.7	9%	0.085	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.7	173	-65.2	0	0	0	0	109.5	H456 F457 D476 D482	H456-V465 CarbonylContact C-O 3.6Å; H456-V465 VanDerWaalsContact C-O 3.23Å; H456-V465 WeakPolarHBondContact CA-O 3.4Å; H456-V465 WeakPolarHBondContact CB-O 3.41Å; F457-V465 HydrophobicContact CB-CG2 3.99Å; F457-V465 HydrophobicContact CD1-CG2 3.83Å; F457-V465 HydrophobicContact CG-CG2 4.42Å; F457-V465 PolarHBondContact N-O 3.29Å; F457-V465 WeakPolarHBondContact O-CG2 3.46Å; F457-V465 PolarHBondContact O-N 3.06Å; V465-D476 HydrophobicContact CG1-CB 4.16Å; V465-D476 WeakPolarHBondContact CG1-O 3.1Å; V465-D482 HydrophobicContact CG2-CB 4.4Å
466	L	57.4	Low	64.2	Low	79 Å²	79	69 Å²	69	41%	0.414	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	147.1	177.7	-81.1	151	0	0	0	111	S455 T468 K469 R470	S455-L466 CarbonylContact O-C 3.58Å; S455-L466 WeakPolarHBondContact O-CA 3.49Å; L466-T468 PolarHBondContact O-N 2.88Å; L466-K469 HydrophobicContact CB-CB 4.28Å; L466-K469 HydrophobicContact CB-CG 3.87Å; L466-K469 CarbonylContact O-C 3.38Å; L466-K469 WeakPolarHBondContact O-CA 3.43Å; L466-K469 VanDerWaalsContact O-CB 3.27Å; L466-K469 WeakPolarHBondContact O-CB 3.33Å; L466-K469 PolarHBondContact O-N 2.99Å; L466-R470 PolarHBondContact O-N 3.37Å
467	A	57.3	Low	64.7	Low	45 Å²	45	66.6 Å²	66.6	37%	0.372	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-64.5	-25.5	179.9	0	0	0	0	0	112.3	S455 K469 R470	S455-A467 WeakPolarHBondContact O-CB 3.44Å; S455-A467 PolarHBondContact O-N 2.6Å; A467-K469 PolarHBondContact O-N 3.24Å; A467-R470 PolarHBondContact O-N 3.08Å
468	T	58.9	Low	64.8	Low	105 Å²	105	70 Å²	70	64%	0.644	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-70	-18.4	170	52.2	0	0	0	0	113.3	L466	L466-T468 PolarHBondContact O-N 2.88Å
469	K	62.4	Low	64.9	Low	56 Å²	56	68.3 Å²	68.3	24%	0.243	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-98.1	3.9	179.1	-61.5	-49.4	-128.5	113.5	0	114.3	L466 A467 D472 D476	L466-K469 HydrophobicContact CB-CB 4.28Å; L466-K469 HydrophobicContact CB-CG 3.87Å; L466-K469 CarbonylContact O-C 3.38Å; L466-K469 WeakPolarHBondContact O-CA 3.43Å; L466-K469 VanDerWaalsContact O-CB 3.27Å; L466-K469 WeakPolarHBondContact O-CB 3.33Å; L466-K469 PolarHBondContact O-N 2.99Å; A467-K469 PolarHBondContact O-N 3.24Å; K469-D472 VanDerWaalsContact CD-OD2 3.31Å; K469-D472 WeakPolarHBondContact CD-OD2 3.07Å; K469-D472 IonicContact NZ-OD2 2.73Å; K469-D472 PolarHBondContact NZ-OD2 3.31Å; K469-D476 HydrophobicContact CB-CB 4.39Å; K469-D476 VanDerWaalsContact CB-OD2 3.31Å; K469-D476 WeakPolarHBondContact CB-OD2 3.38Å; K469-D476 WeakPolarHBondContact CD-OD2 3.08Å; K469-D476 WeakPolarHBondContact CE-OD2 3.46Å; K469-D476 IonicContact NZ-OD1 3.97Å; K469-D476 IonicContact NZ-OD2 3.84Å; K469-D476 PolarHBondContact NZ-OD2 3.04Å
470	R	68.1	Low	64.6	Low	96 Å²	96	72.8 Å²	72.8	36%	0.362	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	128.5	166.8	-169.6	-167.1	-179.8	-168.7	-4.5	107.9	F457 L466 A467 D472 D482 R492	F457-R470 HydrophobicContact CB-CB 4.08Å; F457-R470 HydrophobicContact CB-CG 4.3Å; F457-R470 HydrophobicContact CD1-CB 4.4Å; F457-R470 HydrophobicContact CD1-CG 4.01Å; F457-R470 HydrophobicContact CD2-CG 4Å; F457-R470 HydrophobicContact CE1-CG 4.33Å; F457-R470 HydrophobicContact CE2-CG 4.29Å; F457-R470 HydrophobicContact CG-CB 4.13Å; F457-R470 HydrophobicContact CG-CG 3.82Å; F457-R470 HydrophobicContact CZ-CG 4.44Å; L466-R470 PolarHBondContact O-N 3.37Å; A467-R470 PolarHBondContact O-N 3.08Å; R470-D472 VanDerWaalsContact C-N 3.33Å; R470-D472 PolarHBondContact O-N 3.3Å; R470-D482 VanDerWaalsContact CG-O 3.32Å; R470-D482 WeakPolarHBondContact CG-O 3.44Å; R470-R492 PolarHBondContact O-NH1 3.24Å; R470-R492 VanDerWaalsContact O-NH1 3.17Å; R470-R492 PolarHBondContact O-NH2 3.39Å
471	C	61.2	Low	64.7	Low	22 Å²	22	63.9 Å²	63.9	15%	0.149	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	41.6	178.5	-46.9	0	0	0	0	112.6	D482 E483 C486 R492	C471-D482 PolarHBondContact N-O 3.22Å; C471-E483 VanDerWaalsContact C-OE1 3.28Å; C471-E483 WeakPolarHBondContact CA-OE1 3.19Å; C471-E483 WeakPolarHBondContact CA-OE2 2.91Å; C471-E483 PolarHBondContact N-OE1 3.28Å; C471-C486 VanDerWaalsContact CA-SG 3.56Å; C471-C486 HydrophobicContact CB-CB 3.56Å; C471-C486 WeakPolarHBondContact CB-SG 3.47Å; C471-C486 WeakPolarHBondContact SG-CB 3.12Å; C471-C486 CovalentContact SG-SG 2Å; C471-C486 PolarHBondContact SG-SG 3.26Å; C471-R492 PolarHBondContact O-NH1 3.42Å; C471-R492 VanDerWaalsContact O-NH1 3.13Å
472	D	59.2	Low	65.1	Low	48 Å²	48	60.8 Å²	60.8	26%	0.257	34%	0.336	S	S	.	.	S	Bend	trans	-99.5	1.2	174.9	83.9	-21.5	0	0	0	112.3	K469 R470 H474 E483	K469-D472 VanDerWaalsContact CD-OD2 3.31Å; K469-D472 WeakPolarHBondContact CD-OD2 3.07Å; K469-D472 IonicContact NZ-OD2 2.73Å; K469-D472 PolarHBondContact NZ-OD2 3.31Å; R470-D472 VanDerWaalsContact C-N 3.33Å; R470-D472 PolarHBondContact O-N 3.3Å; D472-H474 PolarHBondContact O-N 3.04Å; D472-H474 WeakPolarHBondContact OD1-CA 3.39Å; D472-H474 WeakPolarHBondContact OD1-CB 3.44Å; D472-H474 PolarHBondContact OD1-N 3.03Å; D472-H474 IonicContact OD2-CD2 2.99Å; D472-E483 PolarHBondContact N-OE1 3.26Å
473	G	60.3	Low	65.8	Low	52 Å²	52	61.4 Å²	61.4	54%	0.536	33%	0.327	S	S	.	.	S	Bend	trans	80.1	2.9	-179.8	0	0	0	0	0	113.6	E483	G473-E483 PolarHBondContact N-OE1 2.99Å; G473-E483 PolarHBondContact N-OE2 3.44Å
474	H	60.2	Low	66.1	Low	119 Å²	119	59.3 Å²	59.3	55%	0.551	33%	0.325	S	S	*	.	S	Bend	trans	-105.5	151.8	172.6	-68.2	-82.9	0	0	0	110.6	D472 D476 E483	D472-H474 PolarHBondContact O-N 3.04Å; D472-H474 WeakPolarHBondContact OD1-CA 3.39Å; D472-H474 WeakPolarHBondContact OD1-CB 3.44Å; D472-H474 PolarHBondContact OD1-N 3.03Å; D472-H474 IonicContact OD2-CD2 2.99Å; H474-D476 PolarHBondContact O-N 3.4Å; H474-E483 WeakPolarHBondContact O-CG 3.38Å
475	L	65.3	Low	65.9	Low	116 Å²	116	64.2 Å²	64.2	61%	0.607	35%	0.348	S	S	*	.			trans	-88.9	83.2	177.8	-62.8	174.2	0	0	0	108.8	H480 E483	L475-H480 HydrophobicContact CD2-CB 3.88Å; L475-H480 WeakPolarHBondContact CD2-CD2 3.05Å; L475-E483 HydrophobicContact CD2-CG 4.47Å
476	D	71.6	Confident	65.8	Low	46 Å²	46	66.1 Å²	66.1	25%	0.246	36%	0.362	C	S	.	.			trans	-90.5	-25.5	179.3	-70.8	-40.1	0	0	0	111.7	V465 K469 H474 D482	V465-D476 HydrophobicContact CG1-CB 4.16Å; V465-D476 WeakPolarHBondContact CG1-O 3.1Å; K469-D476 HydrophobicContact CB-CB 4.39Å; K469-D476 VanDerWaalsContact CB-OD2 3.31Å; K469-D476 WeakPolarHBondContact CB-OD2 3.38Å; K469-D476 WeakPolarHBondContact CD-OD2 3.08Å; K469-D476 WeakPolarHBondContact CE-OD2 3.46Å; K469-D476 IonicContact NZ-OD1 3.97Å; K469-D476 IonicContact NZ-OD2 3.84Å; K469-D476 PolarHBondContact NZ-OD2 3.04Å; H474-D476 PolarHBondContact O-N 3.4Å; D476-D482 VanDerWaalsContact CA-OD2 3.27Å; D476-D482 WeakPolarHBondContact CA-OD2 3.32Å; D476-D482 VanDerWaalsContact CB-OD2 3.3Å; D476-D482 WeakPolarHBondContact CB-OD2 3.32Å; D476-D482 PolarHBondContact N-OD2 3.18Å
477	C	72.1	Confident	65.6	Low	2 Å²	2	66.2 Å²	66.2	1%	0.014	37%	0.374	C	S	.	.	S	Bend	trans	-88.3	135.7	165.2	-66.7	0	0	0	0	111.8	C459 D479 H480 D482	C459-C477 HydrophobicContact CB-CB 3.7Å; C459-C477 WeakPolarHBondContact CB-SG 3.42Å; C459-C477 WeakPolarHBondContact SG-CB 3.36Å; C459-C477 CovalentContact SG-SG 2.01Å; C459-C477 PolarHBondContact SG-SG 3.17Å; C477-D479 WeakPolarHBondContact CB-OD1 3.47Å; C477-D479 PolarHBondContact O-N 3.18Å; C477-H480 PolarHBondContact O-N 3.36Å; C477-D482 HydrophobicContact CB-CB 4.16Å; C477-D482 WeakPolarHBondContact CB-OD1 3.23Å; C477-D482 VanDerWaalsContact N-CG 3.32Å; C477-D482 PolarHBondContact N-OD1 3.11Å; C477-D482 PolarHBondContact N-OD2 2.82Å; C477-D482 WeakPolarHBondContact SG-CB 3.44Å
478	D	71.3	Confident	65.7	Low	116 Å²	116	66.1 Å²	66.1	62%	0.62	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.8	177.9	-59.5	-58.6	0	0	0	113.4	R463	R463-D478 VanDerWaalsContact CD-OD2 3.29Å; R463-D478 WeakPolarHBondContact CD-OD2 3.44Å; R463-D478 IonicContact CZ-OD2 3.96Å; R463-D478 IonicContact NE-OD2 3.92Å; R463-D478 VanDerWaalsContact NH1-CG 3.34Å; R463-D478 IonicContact NH1-OD1 3.21Å; R463-D478 PolarHBondContact NH1-OD1 3.42Å; R463-D478 VanDerWaalsContact NH1-OD1 3.09Å; R463-D478 IonicContact NH1-OD2 3.94Å; R463-D478 PolarHBondContact NH1-OD2 3.1Å
479	D	70.8	Confident	65.6	Low	47 Å²	47	61.4 Å²	61.4	25%	0.251	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	10.6	179.7	64.6	-46.2	0	0	0	113.9	C459 R460 S461 C477 S481	C459-D479 WeakPolarHBondContact CB-OD1 3.36Å; R460-D479 WeakPolarHBondContact CA-OD2 3.07Å; R460-D479 WeakPolarHBondContact CB-OD2 3.1Å; R460-D479 PolarHBondContact N-OD2 3.16Å; S461-D479 VanDerWaalsContact CB-CG 3.48Å; S461-D479 VanDerWaalsContact CB-OD1 3.3Å; S461-D479 WeakPolarHBondContact CB-OD1 3.32Å; S461-D479 PolarHBondContact N-OD2 3Å; S461-D479 PolarHBondContact OG-OD1 2.8Å; C477-D479 WeakPolarHBondContact CB-OD1 3.47Å; C477-D479 PolarHBondContact O-N 3.18Å; D479-S481 PolarHBondContact O-N 2.72Å; D479-S481 VanDerWaalsContact O-N 3.12Å; D479-S481 WeakPolarHBondContact OD2-CB 3.11Å; D479-S481 PolarHBondContact OD2-OG 3.35Å
480	H	67.8	Low	65.1	Low	96 Å²	96	63.8 Å²	63.8	44%	0.444	37%	0.372	S	S	.	.	S	Bend	trans	60.1	15.5	179.8	-40.2	136.8	0	0	0	115.3	L475 C477 D482 E483 D484	L475-H480 HydrophobicContact CD2-CB 3.88Å; L475-H480 WeakPolarHBondContact CD2-CD2 3.05Å; C477-H480 PolarHBondContact O-N 3.36Å; H480-D482 WeakPolarHBondContact CA-OD1 3.4Å; H480-D482 PolarHBondContact O-N 3.29Å; H480-E483 PolarHBondContact O-N 3.18Å; H480-E483 VanDerWaalsContact O-N 3.11Å; H480-D484 PolarHBondContact O-N 3.4Å
481	S	74.2	Confident	64.3	Low	7 Å²	7	67.7 Å²	67.7	5%	0.049	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.6	-177.8	-79.4	0	0	0	0	113.9	F457 R460 D479 E483	F457-S481 VanDerWaalsContact CE1-O 3.3Å; F457-S481 WeakPolarHBondContact CE1-O 3.48Å; F457-S481 VanDerWaalsContact CZ-O 3.31Å; F457-S481 WeakPolarHBondContact CZ-O 3.49Å; R460-S481 WeakPolarHBondContact CB-OG 3.37Å; R460-S481 PolarHBondContact N-OG 3.23Å; D479-S481 PolarHBondContact O-N 2.72Å; D479-S481 VanDerWaalsContact O-N 3.12Å; D479-S481 WeakPolarHBondContact OD2-CB 3.11Å; D479-S481 PolarHBondContact OD2-OG 3.35Å; S481-E483 VanDerWaalsContact C-N 3.26Å
482	D	72.3	Confident	63.9	Low	0 Å²	0	71.8 Å²	71.8	0%	0	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27	172.1	49.5	-24.5	0	0	0	113.3	F457 V465 R470 C471 D476 C477 H480	F457-D482 HydrophobicContact CD1-CB 4.27Å; F457-D482 HydrophobicContact CE1-CB 4.26Å; V465-D482 HydrophobicContact CG2-CB 4.4Å; R470-D482 VanDerWaalsContact CG-O 3.32Å; R470-D482 WeakPolarHBondContact CG-O 3.44Å; C471-D482 PolarHBondContact N-O 3.22Å; D476-D482 VanDerWaalsContact CA-OD2 3.27Å; D476-D482 WeakPolarHBondContact CA-OD2 3.32Å; D476-D482 VanDerWaalsContact CB-OD2 3.3Å; D476-D482 WeakPolarHBondContact CB-OD2 3.32Å; D476-D482 PolarHBondContact N-OD2 3.18Å; C477-D482 HydrophobicContact CB-CB 4.16Å; C477-D482 WeakPolarHBondContact CB-OD1 3.23Å; C477-D482 VanDerWaalsContact N-CG 3.32Å; C477-D482 PolarHBondContact N-OD1 3.11Å; C477-D482 PolarHBondContact N-OD2 2.82Å; C477-D482 WeakPolarHBondContact SG-CB 3.44Å; H480-D482 WeakPolarHBondContact CA-OD1 3.4Å; H480-D482 PolarHBondContact O-N 3.29Å
483	E	77.1	Confident	63.6	Low	53 Å²	53	73.5 Å²	73.5	25%	0.248	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4	-178.6	-64.8	-61	140.4	0	0	113	C471 D472 G473 H474 L475 H480 S481	C471-E483 VanDerWaalsContact C-OE1 3.28Å; C471-E483 WeakPolarHBondContact CA-OE1 3.19Å; C471-E483 WeakPolarHBondContact CA-OE2 2.91Å; C471-E483 PolarHBondContact N-OE1 3.28Å; D472-E483 PolarHBondContact N-OE1 3.26Å; G473-E483 PolarHBondContact N-OE1 2.99Å; G473-E483 PolarHBondContact N-OE2 3.44Å; H474-E483 WeakPolarHBondContact O-CG 3.38Å; L475-E483 HydrophobicContact CD2-CG 4.47Å; H480-E483 PolarHBondContact O-N 3.18Å; H480-E483 VanDerWaalsContact O-N 3.11Å; S481-E483 VanDerWaalsContact C-N 3.26Å
484	D	67.3	Low	63.6	Low	79 Å²	79	73.5 Å²	73.5	42%	0.422	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	123.9	176	-92.3	-6.1	0	0	0	111	R460 H480	R460-D484 IonicContact CZ-OD2 2.96Å; R460-D484 IonicContact NH2-OD2 2.65Å; R460-D484 PolarHBondContact NH2-OD2 2.63Å; H480-D484 PolarHBondContact O-N 3.4Å
485	N	62.2	Low	63.7	Low	150 Å²	150	71.8 Å²	71.8	80%	0.802	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	47.5	171.5	-161.2	46.4	0	0	0	115.6	A487	N485-A487 PolarHBondContact O-N 2.97Å
486	C	64.4	Low	63.8	Low	55 Å²	55	71 Å²	71	37%	0.372	40%	0.397	S	S	.	.			trans	-82.5	100.7	173.3	-57.1	0	0	0	0	111.3	C471 G488	C471-C486 VanDerWaalsContact CA-SG 3.56Å; C471-C486 HydrophobicContact CB-CB 3.56Å; C471-C486 WeakPolarHBondContact CB-SG 3.47Å; C471-C486 WeakPolarHBondContact SG-CB 3.12Å; C471-C486 CovalentContact SG-SG 2Å; C471-C486 PolarHBondContact SG-SG 3.26Å; C486-G488 PolarHBondContact O-N 3.4Å; C486-G488 VanDerWaalsContact O-N 3.13Å
487	A	54.3	Low	63.8	Low	81 Å²	81	68.8 Å²	68.8	67%	0.669	39%	0.385	S	S	*	.			trans	-83.1	83.2	178.5	0	0	0	0	0	111.7	N485	N485-A487 PolarHBondContact O-N 2.97Å
488	G	58.2	Low	63.5	Low	42 Å²	42	72.6 Å²	72.6	43%	0.433	41%	0.41	S	S	.	.			trans	75.2	138.9	159.4	0	0	0	0	0	118.2	C486 S490	C486-G488 PolarHBondContact O-N 3.4Å; C486-G488 VanDerWaalsContact O-N 3.13Å; G488-S490 PolarHBondContact O-N 2.77Å; G488-S490 VanDerWaalsContact O-N 3.13Å
489	C	57.2	Low	63	Low	6 Å²	6	71.4 Å²	71.4	4%	0.041	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-67.4	-11.6	-179.8	-54.8	0	0	0	0	114.2	E491 R492 L494 E496 C503	C489-E491 PolarHBondContact O-N 3.35Å; C489-R492 PolarHBondContact O-N 2.9Å; C489-L494 HydrophobicContact CB-CB 4.49Å; C489-E496 HydrophobicContact CB-CB 3.92Å; C489-E496 HydrophobicContact CB-CG 4.47Å; C489-C503 HydrophobicContact CB-CB 3.78Å; C489-C503 WeakPolarHBondContact CB-SG 3.25Å; C489-C503 VanDerWaalsContact SG-CA 3.56Å; C489-C503 WeakPolarHBondContact SG-CB 3.46Å; C489-C503 CovalentContact SG-SG 2.03Å; C489-C503 PolarHBondContact SG-SG 3.47Å
490	S	52.9	Low	62.5	Low	106 Å²	106	70.4 Å²	70.4	74%	0.741	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-69.7	-26.1	-172.4	-171.9	0	0	0	0	114.7	G488 R492	G488-S490 PolarHBondContact O-N 2.77Å; G488-S490 VanDerWaalsContact O-N 3.13Å; S490-R492 PolarHBondContact O-N 3.14Å
491	E	51.2	Low	62.2	Low	178 Å²	178	72.2 Å²	72.2	83%	0.832	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-71.2	-13.5	178.1	-68	-170	165.9	0	0	112.7	C489	C489-E491 PolarHBondContact O-N 3.35Å
492	R	51.7	Low	61.6	Low	108 Å²	108	75.7 Å²	75.7	41%	0.408	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-107.7	7.1	-176.5	-61.6	179.3	-178.4	-178.7	-3.1	114.2	R470 C471 C489 S490 L494	R470-R492 PolarHBondContact O-NH1 3.24Å; R470-R492 VanDerWaalsContact O-NH1 3.17Å; R470-R492 PolarHBondContact O-NH2 3.39Å; C471-R492 PolarHBondContact O-NH1 3.42Å; C471-R492 VanDerWaalsContact O-NH1 3.13Å; C489-R492 PolarHBondContact O-N 2.9Å; S490-R492 PolarHBondContact O-N 3.14Å; R492-L494 HydrophobicContact CB-CB 4.41Å; R492-L494 HydrophobicContact CB-CD1 3.65Å; R492-L494 HydrophobicContact CB-CG 4.04Å; R492-L494 PolarHBondContact O-N 3.02Å
493	A	52.7	Low	61.5	Low	84 Å²	84	78 Å²	78	69%	0.694	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	27.5	-170.4	0	0	0	0	0	114.1
494	L	61.5	Low	60.9	Low	53 Å²	53	76.2 Å²	76.2	28%	0.277	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-103.6	151.2	177.2	-67.4	163.1	0	0	0	109.7	C489 R492 C503 K505	C489-L494 HydrophobicContact CB-CB 4.49Å; R492-L494 HydrophobicContact CB-CB 4.41Å; R492-L494 HydrophobicContact CB-CD1 3.65Å; R492-L494 HydrophobicContact CB-CG 4.04Å; R492-L494 PolarHBondContact O-N 3.02Å; L494-C503 HydrophobicContact CB-CB 4.21Å; L494-C503 HydrophobicContact CD1-CB 4.49Å; L494-K505 HydrophobicContact CD2-CB 4.35Å; L494-K505 HydrophobicContact CD2-CG 3.7Å
495	W	62.2	Low	60.7	Low	83 Å²	83	76.9 Å²	76.9	31%	0.314	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	134.5	-179.4	-172.1	84.2	0	0	0	111.1	P498 C503 I504 I509 C516 D521	W495-P498 HydrophobicContact CH2-CG 3.88Å; W495-P498 HydrophobicContact CZ2-CG 4.07Å; W495-C503 CarbonylContact O-C 3.41Å; W495-C503 WeakPolarHBondContact O-CA 3.26Å; W495-I504 HydrophobicContact CB-CG1 4.33Å; W495-I504 HydrophobicContact CE3-CD1 3.59Å; W495-I504 HydrophobicContact CE3-CG1 3.6Å; W495-I504 HydrophobicContact CZ3-CD1 3.9Å; W495-I504 HydrophobicContact CZ3-CG1 4.32Å; W495-I504 PolarHBondContact N-O 2.03Å; W495-I504 PolarHBondContact O-N 3.16Å; W495-I509 HydrophobicContact CB-CD1 3.83Å; W495-I509 HydrophobicContact CB-CG1 4.49Å; W495-I509 HydrophobicContact CD2-CD1 3.7Å; W495-I509 HydrophobicContact CD2-CG1 4.09Å; W495-I509 HydrophobicContact CE3-CD1 4.29Å; W495-I509 HydrophobicContact CE3-CG1 4.17Å; W495-I509 HydrophobicContact CG-CD1 3.49Å; W495-I509 VanDerWaalsContact CG-CD1 3.49Å; W495-I509 HydrophobicContact CG-CG1 4.27Å; W495-C516 VanDerWaalsContact CZ3-SG 3.59Å; W495-D521 HydrophobicContact CZ3-CB 4.27Å
496	E	67.4	Low	60.6	Low	99 Å²	99	73.5 Å²	73.5	46%	0.463	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.5	-179.1	-170.1	170.3	164.7	0	0	110.4	C489 P498	C489-E496 HydrophobicContact CB-CB 3.92Å; C489-E496 HydrophobicContact CB-CG 4.47Å; E496-P498 WeakPolarHBondContact O-CD 3.19Å
497	C	70.4	Confident	60.3	Low	0 Å²	0	74 Å²	74	0%	0	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-63.1	121.6	177.6	-66.8	0	0	0	0	110.6	G499 S500 L502 C516	C497-G499 PolarHBondContact O-N 3.4Å; C497-S500 WeakPolarHBondContact CB-OG 3.36Å; C497-S500 PolarHBondContact O-N 3.32Å; C497-S500 VanDerWaalsContact O-N 3.07Å; C497-S500 VanDerWaalsContact O-O 3.07Å; C497-L502 HydrophobicContact CB-CB 4.37Å; C497-L502 WeakPolarHBondContact CB-O 3.13Å; C497-L502 PolarHBondContact N-O 2.89Å; C497-L502 PolarHBondContact SG-O 3.1Å; C497-C516 HydrophobicContact CB-CB 3.76Å; C497-C516 WeakPolarHBondContact CB-SG 3.02Å; C497-C516 WeakPolarHBondContact SG-CB 3.06Å; C497-C516 CovalentContact SG-SG 2.02Å; C497-C516 PolarHBondContact SG-SG 3.45Å
498	P	66.1	Low	60.8	Low	82 Å²	82	71.9 Å²	71.9	53%	0.532	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	111.1	-179	-24.3	31.2	0	0	0	112.4	W495 E496	W495-P498 HydrophobicContact CH2-CG 3.88Å; W495-P498 HydrophobicContact CZ2-CG 4.07Å; E496-P498 WeakPolarHBondContact O-CD 3.19Å
499	G	60.8	Low	61.1	Low	91 Å²	91	71.5 Å²	71.5	94%	0.938	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	9.7	178.2	0	0	0	0	0	115.7	C497	C497-G499 PolarHBondContact O-N 3.4Å
500	S	61.1	Low	61.4	Low	26 Å²	26	72.3 Å²	72.3	18%	0.182	43%	0.425	C	S	.	.	S	Bend	trans	-140.8	163.2	171.1	69.4	0	0	0	0	111.5	C497 L502 P517	C497-S500 WeakPolarHBondContact CB-OG 3.36Å; C497-S500 PolarHBondContact O-N 3.32Å; C497-S500 VanDerWaalsContact O-N 3.07Å; C497-S500 VanDerWaalsContact O-O 3.07Å; S500-L502 PolarHBondContact O-N 3.43Å; S500-P517 WeakPolarHBondContact OG-CG 3.4Å
501	T	60.5	Low	61.7	Low	134 Å²	134	69.6 Å²	69.6	82%	0.822	40%	0.402	S	S	*	.	S	Bend	trans	-83.5	10.7	175.5	52.6	0	0	0	0	113.3
502	L	62	Low	62.3	Low	80 Å²	80	63.8 Å²	63.8	42%	0.419	39%	0.389	S	S	.	.			trans	-81.8	131.5	-178.2	-73	161.6	0	0	0	111	C497 S500 P517	C497-L502 HydrophobicContact CB-CB 4.37Å; C497-L502 WeakPolarHBondContact CB-O 3.13Å; C497-L502 PolarHBondContact N-O 2.89Å; C497-L502 PolarHBondContact SG-O 3.1Å; S500-L502 PolarHBondContact O-N 3.43Å; L502-P517 HydrophobicContact CD1-CG 3.85Å
503	C	69.9	Low	62.6	Low	49 Å²	49	63.7 Å²	63.7	33%	0.331	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.3	177.4	-52.4	0	0	0	0	110.3	C489 L494 W495	C489-C503 HydrophobicContact CB-CB 3.78Å; C489-C503 WeakPolarHBondContact CB-SG 3.25Å; C489-C503 VanDerWaalsContact SG-CA 3.56Å; C489-C503 WeakPolarHBondContact SG-CB 3.46Å; C489-C503 CovalentContact SG-SG 2.03Å; C489-C503 PolarHBondContact SG-SG 3.47Å; L494-C503 HydrophobicContact CB-CB 4.21Å; L494-C503 HydrophobicContact CD1-CB 4.49Å; W495-C503 CarbonylContact O-C 3.41Å; W495-C503 WeakPolarHBondContact O-CA 3.26Å
504	I	65.7	Low	63.4	Low	15 Å²	15	63.5 Å²	63.5	8%	0.077	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	158.5	177.6	59.6	163.7	0	0	0	111.8	W495 M508 I509 D515 D521	W495-I504 HydrophobicContact CB-CG1 4.33Å; W495-I504 HydrophobicContact CE3-CD1 3.59Å; W495-I504 HydrophobicContact CE3-CG1 3.6Å; W495-I504 HydrophobicContact CZ3-CD1 3.9Å; W495-I504 HydrophobicContact CZ3-CG1 4.32Å; W495-I504 PolarHBondContact N-O 2.03Å; W495-I504 PolarHBondContact O-N 3.16Å; I504-M508 HydrophobicContact CB-CB 4.32Å; I504-M508 HydrophobicContact CD1-CB 4.32Å; I504-I509 HydrophobicContact CD1-CG1 3.94Å; I504-D515 HydrophobicContact CG2-CB 4.34Å; I504-D521 HydrophobicContact CD1-CB 4.04Å
505	K	62.1	Low	63.8	Low	92 Å²	92	63.3 Å²	63.3	40%	0.4	38%	0.383	S	S	.	.			trans	-70.6	147.5	174.6	-69.9	-179.9	-177.4	172.7	0	109.9	L494 S507 M508 P763	L494-K505 HydrophobicContact CD2-CB 4.35Å; L494-K505 HydrophobicContact CD2-CG 3.7Å; K505-S507 PolarHBondContact O-N 3.41Å; K505-M508 HydrophobicContact CB-CG 4.27Å; K505-M508 HydrophobicContact CB-SD 3.88Å; K505-M508 HydrophobicContact CD-CE 4.32Å; K505-M508 HydrophobicContact CG-SD 4.28Å; K505-M508 WeakPolarHBondContact O-CB 3.37Å; K505-M508 PolarHBondContact O-N 2.92Å; K505-P763 PolarHBondContact NZ-O 3.48Å
506	P	60.4	Low	64.3	Low	79 Å²	79	59.7 Å²	59.7	51%	0.513	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.4	-20.5	175.4	-26.5	35.1	0	0	0	114.8	M508	P506-M508 VanDerWaalsContact C-N 3.29Å
507	S	57.6	Low	64.3	Low	66 Å²	66	57.7 Å²	57.7	46%	0.462	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-79.5	-5	174.6	61.1	0	0	0	0	114.7	K505	K505-S507 PolarHBondContact O-N 3.41Å
508	M	64.9	Low	64.1	Low	36 Å²	36	65.8 Å²	65.8	18%	0.177	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-106.7	9.7	-178.8	-68.5	166.1	170.2	0	0	111.6	I504 K505 P506 D515	I504-M508 HydrophobicContact CB-CB 4.32Å; I504-M508 HydrophobicContact CD1-CB 4.32Å; K505-M508 HydrophobicContact CB-CG 4.27Å; K505-M508 HydrophobicContact CB-SD 3.88Å; K505-M508 HydrophobicContact CD-CE 4.32Å; K505-M508 HydrophobicContact CG-SD 4.28Å; K505-M508 WeakPolarHBondContact O-CB 3.37Å; K505-M508 PolarHBondContact O-N 2.92Å; P506-M508 VanDerWaalsContact C-N 3.29Å; M508-D515 WeakPolarHBondContact CB-OD2 3Å
509	I	65.4	Low	64.1	Low	35 Å²	35	66.9 Å²	66.9	18%	0.179	41%	0.406	C	S	.	.	S	Bend	trans	-93.5	126.4	174.6	-55.7	169.1	0	0	0	106.2	W495 I504 D511 H538	W495-I509 HydrophobicContact CB-CD1 3.83Å; W495-I509 HydrophobicContact CB-CG1 4.49Å; W495-I509 HydrophobicContact CD2-CD1 3.7Å; W495-I509 HydrophobicContact CD2-CG1 4.09Å; W495-I509 HydrophobicContact CE3-CD1 4.29Å; W495-I509 HydrophobicContact CE3-CG1 4.17Å; W495-I509 HydrophobicContact CG-CD1 3.49Å; W495-I509 VanDerWaalsContact CG-CD1 3.49Å; W495-I509 HydrophobicContact CG-CG1 4.27Å; I504-I509 HydrophobicContact CD1-CG1 3.94Å; I509-D511 VanDerWaalsContact C-N 3.3Å; I509-D511 PolarHBondContact O-N 3.22Å; I509-H538 PolarHBondContact O-CD2 2.88Å; I509-H538 PolarHBondContact O-NE2 3.34Å
510	C	62	Low	64.7	Low	23 Å²	23	64.4 Å²	64.4	16%	0.155	37%	0.373	C	S	.	.	S	Bend	trans	63.3	25	178.5	-58.6	0	0	0	0	115.5	G512 D521 E522 C525 H538	C510-G512 PolarHBondContact O-N 3.18Å; C510-D521 PolarHBondContact N-O 3.21Å; C510-D521 VanDerWaalsContact N-O 3.1Å; C510-D521 PolarHBondContact SG-O 3.33Å; C510-D521 VanDerWaalsContact SG-O 3.39Å; C510-E522 WeakPolarHBondContact CA-OE1 3.49Å; C510-E522 PolarHBondContact N-OE1 3.3Å; C510-C525 WeakPolarHBondContact CA-SG 3.41Å; C510-C525 HydrophobicContact CB-CB 3.85Å; C510-C525 WeakPolarHBondContact CB-SG 3.42Å; C510-C525 VanDerWaalsContact SG-CA 3.53Å; C510-C525 WeakPolarHBondContact SG-CB 3.44Å; C510-C525 CovalentContact SG-SG 2.01Å; C510-C525 PolarHBondContact SG-SG 3.24Å; C510-H538 VanDerWaalsContact C-CE1 3.44Å; C510-H538 HydrophobicContact CB-CB 4.46Å; C510-H538 VanDerWaalsContact CB-CE1 3.44Å; C510-H538 WeakPolarHBondContact CB-CE1 3.13Å; C510-H538 VanDerWaalsContact CB-ND1 3.32Å; C510-H538 WeakPolarHBondContact CB-ND1 3.33Å; C510-H538 PolarHBondContact O-CE1 3.1Å
511	D	60.5	Low	65	Low	49 Å²	49	63.2 Å²	63.2	26%	0.262	37%	0.365	S	S	.	.	S	Bend	trans	-81.5	-1.2	-179.2	91.6	-22	0	0	0	113.5	I509 F513 E522 R764	I509-D511 VanDerWaalsContact C-N 3.3Å; I509-D511 PolarHBondContact O-N 3.22Å; D511-F513 WeakPolarHBondContact OD1-CA 3.34Å; D511-F513 VanDerWaalsContact OD1-CB 3.32Å; D511-F513 WeakPolarHBondContact OD1-CB 3.21Å; D511-F513 PolarHBondContact OD1-N 2.93Å; D511-E522 PolarHBondContact N-OE1 3.36Å; D511-R764 IonicContact OD2-CZ 3.63Å; D511-R764 IonicContact OD2-NH1 3.43Å; D511-R764 PolarHBondContact OD2-NH1 2.9Å
512	G	63.1	Low	65.6	Low	55 Å²	55	58.7 Å²	58.7	57%	0.567	33%	0.334	S	S	*	.	S	Bend	trans	89.8	2	-179.5	0	0	0	0	0	113.9	C510 E522	C510-G512 PolarHBondContact O-N 3.18Å; G512-E522 PolarHBondContact N-OE1 3.15Å; G512-E522 PolarHBondContact N-OE2 3.29Å
513	F	58.5	Low	65.6	Low	106 Å²	106	57.9 Å²	57.9	47%	0.465	34%	0.338	S	S	.	.	S	Bend	trans	-114.9	133.9	173.7	-65.5	-94.2	0	0	0	109.9	D511 D515 D521	D511-F513 WeakPolarHBondContact OD1-CA 3.34Å; D511-F513 VanDerWaalsContact OD1-CB 3.32Å; D511-F513 WeakPolarHBondContact OD1-CB 3.21Å; D511-F513 PolarHBondContact OD1-N 2.93Å; F513-D515 PolarHBondContact O-N 3.33Å; F513-D521 VanDerWaalsContact O-OD2 3.13Å
514	P	69.3	Low	65.1	Low	81 Å²	81	63.4 Å²	63.4	53%	0.526	37%	0.365	S	S	.	.			trans	-73.6	92.3	175.1	28.9	-31.8	0	0	0	110.2	Q519	P514-Q519 HydrophobicContact CB-CB 4.1Å; P514-Q519 HydrophobicContact CB-CG 3.94Å
515	D	69.5	Low	64.9	Low	49 Å²	49	64.3 Å²	64.3	26%	0.262	37%	0.372	S	S	.	.			trans	-89.6	-19.2	177.7	-69.9	-37.2	0	0	0	111.9	I504 M508 F513 D521 R764	I504-D515 HydrophobicContact CG2-CB 4.34Å; M508-D515 WeakPolarHBondContact CB-OD2 3Å; F513-D515 PolarHBondContact O-N 3.33Å; D515-D521 WeakPolarHBondContact CA-OD2 3.25Å; D515-D521 WeakPolarHBondContact CB-OD2 3.39Å; D515-D521 PolarHBondContact N-OD2 3.32Å; D515-R764 IonicContact OD1-NH2 3.53Å
516	C	72.3	Confident	64.7	Low	6 Å²	6	63.8 Å²	63.8	4%	0.041	38%	0.38	C	S	.	.	S	Bend	trans	-104.8	150	170.5	-68	0	0	0	0	113.4	W495 C497 L518 Q519 V520 D521	W495-C516 VanDerWaalsContact CZ3-SG 3.59Å; C497-C516 HydrophobicContact CB-CB 3.76Å; C497-C516 WeakPolarHBondContact CB-SG 3.02Å; C497-C516 WeakPolarHBondContact SG-CB 3.06Å; C497-C516 CovalentContact SG-SG 2.02Å; C497-C516 PolarHBondContact SG-SG 3.45Å; C516-L518 PolarHBondContact O-N 3.36Å; C516-Q519 PolarHBondContact O-N 2.88Å; C516-V520 HydrophobicContact CB-CG2 3.47Å; C516-V520 VanDerWaalsContact CB-CG2 3.47Å; C516-D521 HydrophobicContact CB-CB 3.96Å; C516-D521 WeakPolarHBondContact CB-OD1 3.27Å; C516-D521 VanDerWaalsContact N-CG 3.33Å; C516-D521 PolarHBondContact N-OD1 2.83Å; C516-D521 PolarHBondContact N-OD2 3.44Å
517	P	68.2	Low	64.5	Low	57 Å²	57	66.6 Å²	66.6	37%	0.37	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-61	137.7	173.4	24.8	-32.4	0	0	0	110.2	S500 L502 Q519	S500-P517 WeakPolarHBondContact OG-CG 3.4Å; L502-P517 HydrophobicContact CD1-CG 3.85Å; P517-Q519 VanDerWaalsContact C-N 3.25Å; P517-Q519 PolarHBondContact O-N 3.11Å
518	L	65.5	Low	64.6	Low	170 Å²	170	64.4 Å²	64.4	89%	0.89	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	68.1	14.4	-172.2	-52.8	169.1	0	0	0	115.2	C516 V520	C516-L518 PolarHBondContact O-N 3.36Å; L518-V520 HydrophobicContact CB-CG1 4.17Å; L518-V520 PolarHBondContact O-N 3.27Å
519	Q	66.8	Low	64.4	Low	106 Å²	106	71.8 Å²	71.8	50%	0.495	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	60	31.3	173.5	-169.9	165.5	26.9	0	0	111.9	P514 C516 P517 D521 E522 A523	P514-Q519 HydrophobicContact CB-CB 4.1Å; P514-Q519 HydrophobicContact CB-CG 3.94Å; C516-Q519 PolarHBondContact O-N 2.88Å; P517-Q519 VanDerWaalsContact C-N 3.25Å; P517-Q519 PolarHBondContact O-N 3.11Å; Q519-D521 VanDerWaalsContact C-N 3.34Å; Q519-D521 VanDerWaalsContact C-OD1 3.23Å; Q519-D521 WeakPolarHBondContact CA-OD1 3.26Å; Q519-E522 HydrophobicContact CG-CB 3.5Å; Q519-E522 HydrophobicContact CG-CG 4.06Å; Q519-E522 CarbonylContact O-C 3.54Å; Q519-E522 PolarHBondContact O-N 2.92Å; Q519-E522 VanDerWaalsContact O-N 3.16Å; Q519-A523 VanDerWaalsContact O-CB 3.26Å; Q519-A523 WeakPolarHBondContact O-CB 3.48Å; Q519-A523 PolarHBondContact O-N 2.88Å
520	V	72.5	Confident	64	Low	38 Å²	38	77.4 Å²	77.4	23%	0.23	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.9	-175.7	-69.2	0	0	0	0	113.7	C516 L518	C516-V520 HydrophobicContact CB-CG2 3.47Å; C516-V520 VanDerWaalsContact CB-CG2 3.47Å; L518-V520 HydrophobicContact CB-CG1 4.17Å; L518-V520 PolarHBondContact O-N 3.27Å
521	D	67.8	Low	64	Low	2 Å²	2	81.3 Å²	81.3	1%	0.011	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	167.8	55.4	-41.9	0	0	0	112.6	W495 I504 C510 F513 D515 C516 Q519	W495-D521 HydrophobicContact CZ3-CB 4.27Å; I504-D521 HydrophobicContact CD1-CB 4.04Å; C510-D521 PolarHBondContact N-O 3.21Å; C510-D521 VanDerWaalsContact N-O 3.1Å; C510-D521 PolarHBondContact SG-O 3.33Å; C510-D521 VanDerWaalsContact SG-O 3.39Å; F513-D521 VanDerWaalsContact O-OD2 3.13Å; D515-D521 WeakPolarHBondContact CA-OD2 3.25Å; D515-D521 WeakPolarHBondContact CB-OD2 3.39Å; D515-D521 PolarHBondContact N-OD2 3.32Å; C516-D521 HydrophobicContact CB-CB 3.96Å; C516-D521 WeakPolarHBondContact CB-OD1 3.27Å; C516-D521 VanDerWaalsContact N-CG 3.33Å; C516-D521 PolarHBondContact N-OD1 2.83Å; C516-D521 PolarHBondContact N-OD2 3.44Å; Q519-D521 VanDerWaalsContact C-N 3.34Å; Q519-D521 VanDerWaalsContact C-OD1 3.23Å; Q519-D521 WeakPolarHBondContact CA-OD1 3.26Å
522	E	73.4	Confident	64.6	Low	39 Å²	39	81.8 Å²	81.8	18%	0.182	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-14	178.2	-65.7	-64.4	142.9	0	0	112.7	C510 D511 G512 Q519 C525	C510-E522 WeakPolarHBondContact CA-OE1 3.49Å; C510-E522 PolarHBondContact N-OE1 3.3Å; D511-E522 PolarHBondContact N-OE1 3.36Å; G512-E522 PolarHBondContact N-OE1 3.15Å; G512-E522 PolarHBondContact N-OE2 3.29Å; Q519-E522 HydrophobicContact CG-CB 3.5Å; Q519-E522 HydrophobicContact CG-CG 4.06Å; Q519-E522 CarbonylContact O-C 3.54Å; Q519-E522 PolarHBondContact O-N 2.92Å; Q519-E522 VanDerWaalsContact O-N 3.16Å; E522-C525 VanDerWaalsContact C-SG 3.59Å; E522-C525 VanDerWaalsContact CA-SG 3.56Å; E522-C525 PolarHBondContact O-SG 2.05Å; E522-C525 VanDerWaalsContact O-SG 3.35Å
523	A	62.3	Low	64.7	Low	62 Å²	62	81.1 Å²	81.1	51%	0.512	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	119.9	179.5	0	0	0	0	0	109.5	Q519	Q519-A523 VanDerWaalsContact O-CB 3.26Å; Q519-A523 WeakPolarHBondContact O-CB 3.48Å; Q519-A523 PolarHBondContact O-N 2.88Å
524	N	58.7	Low	65.3	Low	165 Å²	165	78.7 Å²	78.7	88%	0.882	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	27.9	-176.3	-157.2	32.7	0	0	0	114.8	S526	N524-S526 PolarHBondContact O-N 3.24Å; N524-S526 VanDerWaalsContact O-N 3.14Å
525	C	62.1	Low	65.3	Low	35 Å²	35	75 Å²	75	24%	0.236	42%	0.415	C	S	.	.			trans	-58.7	115.6	156.1	-58.4	0	0	0	0	107.7	C510 E522 V527	C510-C525 WeakPolarHBondContact CA-SG 3.41Å; C510-C525 HydrophobicContact CB-CB 3.85Å; C510-C525 WeakPolarHBondContact CB-SG 3.42Å; C510-C525 VanDerWaalsContact SG-CA 3.53Å; C510-C525 WeakPolarHBondContact SG-CB 3.44Å; C510-C525 CovalentContact SG-SG 2.01Å; C510-C525 PolarHBondContact SG-SG 3.24Å; E522-C525 VanDerWaalsContact C-SG 3.59Å; E522-C525 VanDerWaalsContact CA-SG 3.56Å; E522-C525 PolarHBondContact O-SG 2.05Å; E522-C525 VanDerWaalsContact O-SG 3.35Å; C525-V527 VanDerWaalsContact C-N 3.31Å; C525-V527 PolarHBondContact O-N 3.21Å
526	S	57.9	Low	65.1	Low	80 Å²	80	78 Å²	78	56%	0.559	43%	0.431	S	S	*	.			trans	-61	98.6	176.7	50.1	0	0	0	0	108.1	N524 C528	N524-S526 PolarHBondContact O-N 3.24Å; N524-S526 VanDerWaalsContact O-N 3.14Å; S526-C528 PolarHBondContact O-N 3.45Å
527	V	56.5	Low	64.7	Low	139 Å²	139	80 Å²	80	84%	0.842	44%	0.442	S	S	*	.			trans	-59.1	107.5	169.2	179.8	0	0	0	0	105.4	C525 R529	C525-V527 VanDerWaalsContact C-N 3.31Å; C525-V527 PolarHBondContact O-N 3.21Å; V527-R529 PolarHBondContact O-N 2.9Å
528	C	60	Low	64.4	Low	20 Å²	20	80 Å²	80	14%	0.135	44%	0.437	C	S	.	.			trans	-53	141.8	177.4	-58.7	0	0	0	0	108.9	S526 E532 C540	S526-C528 PolarHBondContact O-N 3.45Å; C528-E532 HydrophobicContact CB-CB 3.78Å; C528-C540 WeakPolarHBondContact CA-SG 3.19Å; C528-C540 HydrophobicContact CB-CB 3.81Å; C528-C540 WeakPolarHBondContact CB-SG 3.42Å; C528-C540 WeakPolarHBondContact SG-CA 3.04Å; C528-C540 WeakPolarHBondContact SG-CB 3.36Å; C528-C540 CovalentContact SG-SG 2.04Å; C528-C540 PolarHBondContact SG-SG 3.48Å
529	R	59.8	Low	64.5	Low	190 Å²	190	75.8 Å²	75.8	72%	0.717	41%	0.412	S	S	*	.			trans	-58.1	158.8	179.5	-65	174	173.9	179.4	-1	109.4	V527 N531 E532	V527-R529 PolarHBondContact O-N 2.9Å; R529-N531 PolarHBondContact O-N 3.48Å; R529-E532 PolarHBondContact N-OE2 3.45Å; R529-E532 WeakPolarHBondContact O-CA 3.33Å; R529-E532 PolarHBondContact O-N 3.31Å
530	D	56.6	Low	64.8	Low	153 Å²	153	73 Å²	73	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-22.6	-179.3	-69.5	-33	0	0	0	114.9	R543	D530-R543 WeakPolarHBondContact O-CD 3.25Å
531	N	63.6	Low	64.8	Low	106 Å²	106	71.7 Å²	71.7	57%	0.567	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	6.7	179.1	-61.4	-26.3	0	0	0	114.4	R529 H542 R543	R529-N531 PolarHBondContact O-N 3.48Å; N531-H542 PolarHBondContact O-CD2 3.45Å; N531-R543 VanDerWaalsContact O-CG 3.32Å; N531-R543 WeakPolarHBondContact O-CG 3.46Å; N531-R543 PolarHBondContact O-N 3.44Å
532	E	72.2	Confident	65	Low	59 Å²	59	75.3 Å²	75.3	28%	0.276	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.3	-178.9	-68.3	161.8	-168.9	0	0	109.8	C528 R529 C540 V541	C528-E532 HydrophobicContact CB-CB 3.78Å; R529-E532 PolarHBondContact N-OE2 3.45Å; R529-E532 WeakPolarHBondContact O-CA 3.33Å; R529-E532 PolarHBondContact O-N 3.31Å; E532-C540 HydrophobicContact CB-CB 4.23Å; E532-V541 CarbonylContact C-O 3.53Å; E532-V541 VanDerWaalsContact CA-O 3.3Å; E532-V541 WeakPolarHBondContact CA-O 3.06Å
533	L	64.8	Low	64.7	Low	40 Å²	40	78 Å²	78	21%	0.209	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.2	179.9	-69.6	154.1	0	0	0	108.6	C540 V541 R543 W546 A583	L533-C540 WeakPolarHBondContact O-CA 3.31Å; L533-V541 PolarHBondContact N-O 3.05Å; L533-V541 PolarHBondContact O-N 2.81Å; L533-R543 HydrophobicContact CD1-CB 4.25Å; L533-R543 HydrophobicContact CD1-CG 3.84Å; L533-R543 HydrophobicContact CG-CG 3.85Å; L533-W546 HydrophobicContact CB-CD2 3.93Å; L533-W546 HydrophobicContact CB-CE3 3.34Å; L533-W546 HydrophobicContact CB-CH2 3.95Å; L533-W546 HydrophobicContact CB-CZ2 4.5Å; L533-W546 HydrophobicContact CB-CZ3 3.34Å; L533-W546 HydrophobicContact CD1-CB 3.67Å; L533-W546 HydrophobicContact CD1-CD2 3.45Å; L533-W546 VanDerWaalsContact CD1-CD2 3.45Å; L533-W546 HydrophobicContact CD1-CE3 3.64Å; L533-W546 HydrophobicContact CD1-CG 3.47Å; L533-W546 VanDerWaalsContact CD1-CG 3.47Å; L533-W546 HydrophobicContact CD1-CZ3 4.43Å; L533-W546 HydrophobicContact CG-CD2 4.32Å; L533-W546 HydrophobicContact CG-CE3 4.14Å; L533-A583 HydrophobicContact CD1-CB 3.28Å; L533-A583 HydrophobicContact CD2-CB 4.46Å; L533-A583 HydrophobicContact CG-CB 4.41Å
534	A	71.3	Confident	65	Low	55 Å²	55	79.1 Å²	79.1	46%	0.455	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	120.9	177.5	0	0	0	0	0	110.3	Q539 W546	A534-Q539 WeakPolarHBondContact CA-O 3.35Å; A534-W546 VanDerWaalsContact O-CH2 3.23Å; A534-W546 WeakPolarHBondContact O-CH2 3.42Å
535	C	70.4	Confident	65.5	Low	3 Å²	3	74.1 Å²	74.1	2%	0.02	40%	0.395	C	S	.	.			trans	-60.1	162.9	163.2	-54.4	0	0	0	0	110.3	N537 H538 Q539 V541 C553	C535-N537 WeakPolarHBondContact CB-OD1 3.08Å; C535-N537 PolarHBondContact O-N 3.27Å; C535-H538 WeakPolarHBondContact O-CA 3.48Å; C535-H538 PolarHBondContact O-N 2.04Å; C535-Q539 HydrophobicContact CB-CB 4.12Å; C535-Q539 WeakPolarHBondContact CB-O 3.31Å; C535-Q539 PolarHBondContact N-O 3.05Å; C535-Q539 PolarHBondContact SG-O 3.11Å; C535-V541 WeakPolarHBondContact SG-CG2 3.44Å; C535-C553 HydrophobicContact CB-CB 3.72Å; C535-C553 WeakPolarHBondContact CB-SG 3.31Å; C535-C553 WeakPolarHBondContact SG-CB 3.5Å; C535-C553 CovalentContact SG-SG 2Å; C535-C553 PolarHBondContact SG-SG 3.2Å
536	N	64.3	Low	65.7	Low	112 Å²	112	74.1 Å²	74.1	60%	0.599	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.6	179.5	-151.3	44.9	0	0	0	113	D555 S557 W560	N536-D555 WeakPolarHBondContact CA-OD2 3.31Å; N536-D555 WeakPolarHBondContact CB-OD2 3.08Å; N536-D555 PolarHBondContact N-OD2 2.95Å; N536-S557 WeakPolarHBondContact CB-OG 3.47Å; N536-S557 PolarHBondContact N-OG 3.31Å; N536-W560 HydrophobicContact CB-CZ3 3.94Å
537	N	63.3	Low	66.1	Low	50 Å²	50	71.1 Å²	71.1	27%	0.267	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15.8	168.7	70.1	-3	0	0	0	113.5	C535 Q539 S554 D555	C535-N537 WeakPolarHBondContact CB-OD1 3.08Å; C535-N537 PolarHBondContact O-N 3.27Å; N537-Q539 VanDerWaalsContact C-N 3.25Å; N537-Q539 VanDerWaalsContact ND2-CD 3.33Å; N537-Q539 PolarHBondContact ND2-NE2 3.11Å; N537-Q539 PolarHBondContact ND2-OE1 3.44Å; N537-Q539 PolarHBondContact O-N 3.34Å; N537-Q539 WeakPolarHBondContact OD1-CB 3.4Å; N537-Q539 WeakPolarHBondContact OD1-CG 3.45Å; N537-Q539 PolarHBondContact OD1-N 3.3Å; N537-S554 PolarHBondContact ND2-OG 3.35Å; N537-D555 HydrophobicContact CB-CB 4.29Å; N537-D555 PolarHBondContact N-OD2 3.02Å
538	H	62.8	Low	66.2	Low	57 Å²	57	67.5 Å²	67.5	26%	0.264	35%	0.345	S	S	.	.	S	Bend	trans	64.2	16.6	177.8	-54.8	-75	0	0	0	116.3	I509 C510 C535	I509-H538 PolarHBondContact O-CD2 2.88Å; I509-H538 PolarHBondContact O-NE2 3.34Å; C510-H538 VanDerWaalsContact C-CE1 3.44Å; C510-H538 HydrophobicContact CB-CB 4.46Å; C510-H538 VanDerWaalsContact CB-CE1 3.44Å; C510-H538 WeakPolarHBondContact CB-CE1 3.13Å; C510-H538 VanDerWaalsContact CB-ND1 3.32Å; C510-H538 WeakPolarHBondContact CB-ND1 3.33Å; C510-H538 PolarHBondContact O-CE1 3.1Å; C535-H538 WeakPolarHBondContact O-CA 3.48Å; C535-H538 PolarHBondContact O-N 2.04Å
539	Q	67.9	Low	66.2	Low	80 Å²	80	69.6 Å²	69.6	37%	0.374	37%	0.37	S	S	.	.			trans	-73.2	141.8	164.9	-70	172.1	1.1	0	0	110.7	A534 C535 N537 S554	A534-Q539 WeakPolarHBondContact CA-O 3.35Å; C535-Q539 HydrophobicContact CB-CB 4.12Å; C535-Q539 WeakPolarHBondContact CB-O 3.31Å; C535-Q539 PolarHBondContact N-O 3.05Å; C535-Q539 PolarHBondContact SG-O 3.11Å; N537-Q539 VanDerWaalsContact C-N 3.25Å; N537-Q539 VanDerWaalsContact ND2-CD 3.33Å; N537-Q539 PolarHBondContact ND2-NE2 3.11Å; N537-Q539 PolarHBondContact ND2-OE1 3.44Å; N537-Q539 PolarHBondContact O-N 3.34Å; N537-Q539 WeakPolarHBondContact OD1-CB 3.4Å; N537-Q539 WeakPolarHBondContact OD1-CG 3.45Å; N537-Q539 PolarHBondContact OD1-N 3.3Å; Q539-S554 PolarHBondContact NE2-OG 3.07Å; Q539-S554 PolarHBondContact OE1-OG 3.41Å
540	C	73.1	Confident	66.3	Low	48 Å²	48	69.2 Å²	69.2	32%	0.324	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.5	177	-64.2	0	0	0	0	110.9	C528 E532 L533	C528-C540 WeakPolarHBondContact CA-SG 3.19Å; C528-C540 HydrophobicContact CB-CB 3.81Å; C528-C540 WeakPolarHBondContact CB-SG 3.42Å; C528-C540 WeakPolarHBondContact SG-CA 3.04Å; C528-C540 WeakPolarHBondContact SG-CB 3.36Å; C528-C540 CovalentContact SG-SG 2.04Å; C528-C540 PolarHBondContact SG-SG 3.48Å; E532-C540 HydrophobicContact CB-CB 4.23Å; L533-C540 WeakPolarHBondContact O-CA 3.31Å
541	V	73.1	Confident	67.1	Low	11 Å²	11	69.5 Å²	69.5	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.4	176.2	171.9	0	0	0	0	109.6	E532 L533 C535 L545 W546 H552 D558	E532-V541 CarbonylContact C-O 3.53Å; E532-V541 VanDerWaalsContact CA-O 3.3Å; E532-V541 WeakPolarHBondContact CA-O 3.06Å; L533-V541 PolarHBondContact N-O 3.05Å; L533-V541 PolarHBondContact O-N 2.81Å; C535-V541 WeakPolarHBondContact SG-CG2 3.44Å; V541-L545 HydrophobicContact CG1-CB 3.68Å; V541-W546 HydrophobicContact CB-CE3 4.07Å; V541-W546 HydrophobicContact CB-CZ3 4.19Å; V541-W546 HydrophobicContact CG1-CE3 4.26Å; V541-H552 HydrophobicContact CG1-CB 3.9Å; V541-H552 HydrophobicContact CG2-CB 4.18Å; V541-D558 HydrophobicContact CG1-CB 4.48Å
542	H	71.5	Confident	67.5	Low	78 Å²	78	68 Å²	68	36%	0.361	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	139.9	-179.8	-170.3	-100.8	0	0	0	111.3	N531 T544 L545 W546	N531-H542 PolarHBondContact O-CD2 3.45Å; H542-T544 PolarHBondContact CE1-OG1 3.03Å; H542-T544 PolarHBondContact ND1-N 3.33Å; H542-T544 PolarHBondContact ND1-OG1 2.95Å; H542-T544 PolarHBondContact O-N 3.37Å; H542-L545 HydrophobicContact CB-CD1 4.02Å; H542-L545 HydrophobicContact CB-CG 4.21Å; H542-L545 WeakPolarHBondContact O-CA 3.24Å; H542-L545 WeakPolarHBondContact O-CB 3.33Å; H542-L545 PolarHBondContact O-N 3.17Å; H542-W546 PolarHBondContact O-N 3.44Å
543	R	66.4	Low	67.6	Low	96 Å²	96	65.2 Å²	65.2	36%	0.362	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.2	-175.6	-71.7	178.5	85.2	94.1	8.5	114.9	D530 N531 L533 T582 A583	D530-R543 WeakPolarHBondContact O-CD 3.25Å; N531-R543 VanDerWaalsContact O-CG 3.32Å; N531-R543 WeakPolarHBondContact O-CG 3.46Å; N531-R543 PolarHBondContact O-N 3.44Å; L533-R543 HydrophobicContact CD1-CB 4.25Å; L533-R543 HydrophobicContact CD1-CG 3.84Å; L533-R543 HydrophobicContact CG-CG 3.85Å; R543-T582 CarbonylContact O-C 3.29Å; R543-A583 HydrophobicContact CB-CB 4.36Å; R543-A583 HydrophobicContact CG-CB 4.48Å; R543-A583 PolarHBondContact NH2-O 3.23Å
544	T	68.9	Low	68.1	Low	84 Å²	84	66.2 Å²	66.2	52%	0.515	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-19.5	178.4	62.5	0	0	0	0	114	H542 W546	H542-T544 PolarHBondContact CE1-OG1 3.03Å; H542-T544 PolarHBondContact ND1-N 3.33Å; H542-T544 PolarHBondContact ND1-OG1 2.95Å; H542-T544 PolarHBondContact O-N 3.37Å; T544-W546 VanDerWaalsContact C-N 3.31Å
545	L	69.4	Low	68	Low	61 Å²	61	65.2 Å²	65.2	32%	0.319	33%	0.331	S	S	.	.	S	Bend	trans	-93.4	2	177.4	-57	176.1	0	0	0	111.3	V541 H542 H552	V541-L545 HydrophobicContact CG1-CB 3.68Å; H542-L545 HydrophobicContact CB-CD1 4.02Å; H542-L545 HydrophobicContact CB-CG 4.21Å; H542-L545 WeakPolarHBondContact O-CA 3.24Å; H542-L545 WeakPolarHBondContact O-CB 3.33Å; H542-L545 PolarHBondContact O-N 3.17Å; L545-H552 PolarHBondContact O-ND1 2.02Å
546	W	66.8	Low	67.9	Low	34 Å²	34	66.9 Å²	66.9	13%	0.129	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	125.3	175.6	-155.4	-80.2	0	0	0	109.2	L533 A534 V541 H542 T544 D558 T582 A583	L533-W546 HydrophobicContact CB-CD2 3.93Å; L533-W546 HydrophobicContact CB-CE3 3.34Å; L533-W546 HydrophobicContact CB-CH2 3.95Å; L533-W546 HydrophobicContact CB-CZ2 4.5Å; L533-W546 HydrophobicContact CB-CZ3 3.34Å; L533-W546 HydrophobicContact CD1-CB 3.67Å; L533-W546 HydrophobicContact CD1-CD2 3.45Å; L533-W546 VanDerWaalsContact CD1-CD2 3.45Å; L533-W546 HydrophobicContact CD1-CE3 3.64Å; L533-W546 HydrophobicContact CD1-CG 3.47Å; L533-W546 VanDerWaalsContact CD1-CG 3.47Å; L533-W546 HydrophobicContact CD1-CZ3 4.43Å; L533-W546 HydrophobicContact CG-CD2 4.32Å; L533-W546 HydrophobicContact CG-CE3 4.14Å; A534-W546 VanDerWaalsContact O-CH2 3.23Å; A534-W546 WeakPolarHBondContact O-CH2 3.42Å; V541-W546 HydrophobicContact CB-CE3 4.07Å; V541-W546 HydrophobicContact CB-CZ3 4.19Å; V541-W546 HydrophobicContact CG1-CE3 4.26Å; H542-W546 PolarHBondContact O-N 3.44Å; T544-W546 VanDerWaalsContact C-N 3.31Å; W546-D558 HydrophobicContact CD2-CB 4.19Å; W546-D558 HydrophobicContact CE3-CB 4.02Å; W546-D558 HydrophobicContact CZ3-CB 4.35Å; W546-T582 WeakPolarHBondContact O-CA 3.4Å; W546-A583 HydrophobicContact CB-CB 4.48Å
547	C	64.9	Low	68.1	Low	17 Å²	17	61.9 Å²	61.9	12%	0.115	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	44.3	-175.7	-52.3	0	0	0	0	114.5	D558 C562	C547-D558 PolarHBondContact N-O 3.11Å; C547-C562 WeakPolarHBondContact CA-SG 3.41Å; C547-C562 HydrophobicContact CB-CB 3.32Å; C547-C562 WeakPolarHBondContact CB-SG 3.18Å; C547-C562 WeakPolarHBondContact SG-CA 3.49Å; C547-C562 WeakPolarHBondContact SG-CB 3.1Å; C547-C562 CovalentContact SG-SG 2Å; C547-C562 PolarHBondContact SG-SG 3.29Å
548	D	60	Low	68.5	Low	64 Å²	64	59.5 Å²	59.5	34%	0.342	30%	0.304	S	S	.	.	S	Bend	trans	-104.5	2.9	179.2	80.7	-3.6	0	0	0	113.5	R550 H552 E559	D548-R550 WeakPolarHBondContact OD1-CB 3.45Å; D548-R550 PolarHBondContact OD1-N 3.48Å; D548-H552 VanDerWaalsContact CG-CE1 3.47Å; D548-H552 IonicContact OD1-CE1 3.62Å; D548-H552 PolarHBondContact OD1-CE1 3.44Å; D548-H552 IonicContact OD1-ND1 3.89Å; D548-H552 PolarHBondContact OD1-ND1 3.28Å; D548-H552 IonicContact OD2-CE1 2.63Å; D548-H552 PolarHBondContact OD2-CE1 2.86Å; D548-H552 IonicContact OD2-ND1 3.77Å; D548-H552 IonicContact OD2-NE2 3.91Å; D548-E559 PolarHBondContact N-OE1 3.03Å
549	G	59	Low	69	Low	64 Å²	64	59.3 Å²	59.3	66%	0.66	30%	0.303	S	S	*	.	S	Bend	trans	82.5	12.8	178.5	0	0	0	0	0	113.4	E559	G549-E559 WeakPolarHBondContact CA-OE2 3.22Å; G549-E559 VanDerWaalsContact N-CD 3.31Å; G549-E559 PolarHBondContact N-OE1 2.8Å; G549-E559 PolarHBondContact N-OE2 3.13Å
550	R	62.6	Low	68.6	Low	182 Å²	182	61.6 Å²	61.6	69%	0.687	31%	0.309	S	S	*	.	S	Bend	trans	-132.1	135.4	177.1	-63.5	178.1	178	-159.7	-1.9	108.8	D548 H552 D558 E559	D548-R550 WeakPolarHBondContact OD1-CB 3.45Å; D548-R550 PolarHBondContact OD1-N 3.48Å; R550-H552 PolarHBondContact O-CE1 3.11Å; R550-H552 PolarHBondContact O-N 2.8Å; R550-H552 PolarHBondContact O-ND1 3.47Å; R550-D558 VanDerWaalsContact O-OD2 3.05Å; R550-E559 PolarHBondContact N-OE1 2.03Å
551	R	72.4	Confident	67.8	Low	159 Å²	159	65.4 Å²	65.4	60%	0.6	33%	0.326	S	S	*	.			trans	-70.5	111	178.8	177.5	177.2	179.7	-97.6	20.9	111	C553 S554	R551-C553 WeakPolarHBondContact CG-O 3.43Å; R551-C553 PolarHBondContact NE-O 3.22Å; R551-S554 PolarHBondContact NH2-O 2.85Å
552	H	72.8	Confident	67	Low	73 Å²	73	65.8 Å²	65.8	34%	0.338	33%	0.329	S	S	.	.			trans	-108.3	-24.5	174.4	-63.2	92.7	0	0	0	112.8	V541 L545 D548 R550 D558	V541-H552 HydrophobicContact CG1-CB 3.9Å; V541-H552 HydrophobicContact CG2-CB 4.18Å; L545-H552 PolarHBondContact O-ND1 2.02Å; D548-H552 VanDerWaalsContact CG-CE1 3.47Å; D548-H552 IonicContact OD1-CE1 3.62Å; D548-H552 PolarHBondContact OD1-CE1 3.44Å; D548-H552 IonicContact OD1-ND1 3.89Å; D548-H552 PolarHBondContact OD1-ND1 3.28Å; D548-H552 IonicContact OD2-CE1 2.63Å; D548-H552 PolarHBondContact OD2-CE1 2.86Å; D548-H552 IonicContact OD2-ND1 3.77Å; D548-H552 IonicContact OD2-NE2 3.91Å; R550-H552 PolarHBondContact O-CE1 3.11Å; R550-H552 PolarHBondContact O-N 2.8Å; R550-H552 PolarHBondContact O-ND1 3.47Å; H552-D558 WeakPolarHBondContact CA-OD2 3.33Å; H552-D558 VanDerWaalsContact CB-OD2 3.27Å; H552-D558 WeakPolarHBondContact CB-OD2 3.08Å; H552-D558 IonicContact CG-OD2 2.78Å; H552-D558 PolarHBondContact N-OD1 3.22Å; H552-D558 PolarHBondContact N-OD2 2.98Å; H552-D558 IonicContact ND1-OD2 3.67Å
553	C	73.6	Confident	65.8	Low	1 Å²	1	63.8 Å²	63.8	1%	0.007	33%	0.329	C	S	.	.	S	Bend	trans	-86	144.2	167.1	-57.1	0	0	0	0	110.8	C535 R551 D555 S556 D558	C535-C553 HydrophobicContact CB-CB 3.72Å; C535-C553 WeakPolarHBondContact CB-SG 3.31Å; C535-C553 WeakPolarHBondContact SG-CB 3.5Å; C535-C553 CovalentContact SG-SG 2Å; C535-C553 PolarHBondContact SG-SG 3.2Å; R551-C553 WeakPolarHBondContact CG-O 3.43Å; R551-C553 PolarHBondContact NE-O 3.22Å; C553-D555 WeakPolarHBondContact CB-OD1 3.48Å; C553-D555 PolarHBondContact O-N 3.23Å; C553-D555 VanDerWaalsContact O-N 3.14Å; C553-S556 PolarHBondContact O-N 3.04Å; C553-D558 HydrophobicContact CB-CB 4.34Å; C553-D558 VanDerWaalsContact CB-OD1 3.24Å; C553-D558 WeakPolarHBondContact CB-OD1 3.27Å; C553-D558 VanDerWaalsContact N-CG 3.31Å; C553-D558 PolarHBondContact N-OD1 2.97Å; C553-D558 WeakPolarHBondContact SG-CB 3.32Å; C553-D558 PolarHBondContact SG-N 3.41Å; C553-D558 PolarHBondContact SG-OD1 2.71Å
554	S	74.8	Confident	64.9	Low	62 Å²	62	61.5 Å²	61.5	43%	0.434	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.2	175.5	77.2	0	0	0	0	114.4	N537 Q539 R551	N537-S554 PolarHBondContact ND2-OG 3.35Å; Q539-S554 PolarHBondContact NE2-OG 3.07Å; Q539-S554 PolarHBondContact OE1-OG 3.41Å; R551-S554 PolarHBondContact NH2-O 2.85Å
555	D	69.1	Low	64	Low	33 Å²	33	58 Å²	58	18%	0.176	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	1.4	171.1	61.7	-3.7	0	0	0	112.1	N536 N537 C553 S557 W560	N536-D555 WeakPolarHBondContact CA-OD2 3.31Å; N536-D555 WeakPolarHBondContact CB-OD2 3.08Å; N536-D555 PolarHBondContact N-OD2 2.95Å; N537-D555 HydrophobicContact CB-CB 4.29Å; N537-D555 PolarHBondContact N-OD2 3.02Å; C553-D555 WeakPolarHBondContact CB-OD1 3.48Å; C553-D555 PolarHBondContact O-N 3.23Å; C553-D555 VanDerWaalsContact O-N 3.14Å; D555-S557 PolarHBondContact O-N 2.95Å; D555-S557 WeakPolarHBondContact OD1-CB 3.47Å; D555-S557 PolarHBondContact OD1-N 2.89Å; D555-S557 PolarHBondContact OD1-OG 2.77Å; D555-S557 VanDerWaalsContact OD1-OG 3.08Å; D555-S557 WeakPolarHBondContact OD2-CB 3.5Å; D555-S557 PolarHBondContact OD2-OG 3.12Å; D555-W560 WeakPolarHBondContact O-CZ2 3.4Å
556	S	69.3	Low	63	Low	39 Å²	39	57.8 Å²	57.8	27%	0.273	31%	0.306	S	S	.	.	S	Bend	trans	61.6	15.5	-171.3	64.4	0	0	0	0	116.2	C553 D558 E559 W560	C553-S556 PolarHBondContact O-N 3.04Å; S556-D558 PolarHBondContact O-N 3.09Å; S556-E559 PolarHBondContact O-N 3.19Å; S556-W560 PolarHBondContact O-N 3.43Å; S556-W560 PolarHBondContact O-NE1 3.48Å; S556-W560 PolarHBondContact OG-NE1 2.8Å; S556-W560 VanDerWaalsContact OG-NE1 3.15Å
557	S	69.4	Low	62.1	Low	6 Å²	6	58.1 Å²	58.1	4%	0.042	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-62	-26.6	180	-70.9	0	0	0	0	114.3	N536 D555 E559 W560	N536-S557 WeakPolarHBondContact CB-OG 3.47Å; N536-S557 PolarHBondContact N-OG 3.31Å; D555-S557 PolarHBondContact O-N 2.95Å; D555-S557 WeakPolarHBondContact OD1-CB 3.47Å; D555-S557 PolarHBondContact OD1-N 2.89Å; D555-S557 PolarHBondContact OD1-OG 2.77Å; D555-S557 VanDerWaalsContact OD1-OG 3.08Å; D555-S557 WeakPolarHBondContact OD2-CB 3.5Å; D555-S557 PolarHBondContact OD2-OG 3.12Å; S557-E559 PolarHBondContact O-N 3.06Å; S557-W560 PolarHBondContact O-N 3.05Å; S557-W560 VanDerWaalsContact O-N 3.14Å; S557-W560 VanDerWaalsContact OG-CE3 3.25Å; S557-W560 WeakPolarHBondContact OG-CZ3 3.31Å
558	D	70.8	Confident	61.1	Low	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-64.5	-16.7	174.9	56.6	-51.9	0	0	0	113.4	V541 W546 C547 R550 H552 C553 S556 C562	V541-D558 HydrophobicContact CG1-CB 4.48Å; W546-D558 HydrophobicContact CD2-CB 4.19Å; W546-D558 HydrophobicContact CE3-CB 4.02Å; W546-D558 HydrophobicContact CZ3-CB 4.35Å; C547-D558 PolarHBondContact N-O 3.11Å; R550-D558 VanDerWaalsContact O-OD2 3.05Å; H552-D558 WeakPolarHBondContact CA-OD2 3.33Å; H552-D558 VanDerWaalsContact CB-OD2 3.27Å; H552-D558 WeakPolarHBondContact CB-OD2 3.08Å; H552-D558 IonicContact CG-OD2 2.78Å; H552-D558 PolarHBondContact N-OD1 3.22Å; H552-D558 PolarHBondContact N-OD2 2.98Å; H552-D558 IonicContact ND1-OD2 3.67Å; C553-D558 HydrophobicContact CB-CB 4.34Å; C553-D558 VanDerWaalsContact CB-OD1 3.24Å; C553-D558 WeakPolarHBondContact CB-OD1 3.27Å; C553-D558 VanDerWaalsContact N-CG 3.31Å; C553-D558 PolarHBondContact N-OD1 2.97Å; C553-D558 WeakPolarHBondContact SG-CB 3.32Å; C553-D558 PolarHBondContact SG-N 3.41Å; C553-D558 PolarHBondContact SG-OD1 2.71Å; S556-D558 PolarHBondContact O-N 3.09Å; D558-C562 PolarHBondContact O-SG 2.66Å
559	E	73.6	Confident	60.2	Low	53 Å²	53	63.3 Å²	63.3	25%	0.248	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-109.4	-1.9	177	-65.9	-61.3	151.7	0	0	112.6	D548 G549 R550 S556 S557 C562	D548-E559 PolarHBondContact N-OE1 3.03Å; G549-E559 WeakPolarHBondContact CA-OE2 3.22Å; G549-E559 VanDerWaalsContact N-CD 3.31Å; G549-E559 PolarHBondContact N-OE1 2.8Å; G549-E559 PolarHBondContact N-OE2 3.13Å; R550-E559 PolarHBondContact N-OE1 2.03Å; S556-E559 PolarHBondContact O-N 3.19Å; S557-E559 PolarHBondContact O-N 3.06Å; E559-C562 VanDerWaalsContact C-SG 3.55Å; E559-C562 VanDerWaalsContact CA-SG 3.52Å
560	W	59.9	Low	59.1	Low	129 Å²	129	64.5 Å²	64.5	49%	0.489	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	139.8	175.8	-65.3	-3.8	0	0	0	110.5	N536 D555 S556 S557 C562	N536-W560 HydrophobicContact CB-CZ3 3.94Å; D555-W560 WeakPolarHBondContact O-CZ2 3.4Å; S556-W560 PolarHBondContact O-N 3.43Å; S556-W560 PolarHBondContact O-NE1 3.48Å; S556-W560 PolarHBondContact OG-NE1 2.8Å; S556-W560 VanDerWaalsContact OG-NE1 3.15Å; S557-W560 PolarHBondContact O-N 3.05Å; S557-W560 VanDerWaalsContact O-N 3.14Å; S557-W560 VanDerWaalsContact OG-CE3 3.25Å; S557-W560 WeakPolarHBondContact OG-CZ3 3.31Å; W560-C562 PolarHBondContact O-N 3.38Å
561	N	54.4	Low	57.7	Low	127 Å²	127	61.8 Å²	61.8	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	11.3	-178.5	-80.4	-15.1	0	0	0	116.4	G563 T564	N561-G563 PolarHBondContact O-N 3.08Å; N561-G563 VanDerWaalsContact O-N 3.14Å; N561-T564 HydrophobicContact CB-CG2 3.97Å; N561-T564 WeakPolarHBondContact O-CB 3.49Å; N561-T564 PolarHBondContact O-N 2.99Å; N561-T564 PolarHBondContact O-OG1 2.84Å
562	C	56.6	Low	56.3	Low	19 Å²	19	66.4 Å²	66.4	13%	0.128	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.6	175.8	-72.2	0	0	0	0	114.9	C547 D558 E559 W560	C547-C562 WeakPolarHBondContact CA-SG 3.41Å; C547-C562 HydrophobicContact CB-CB 3.32Å; C547-C562 WeakPolarHBondContact CB-SG 3.18Å; C547-C562 WeakPolarHBondContact SG-CA 3.49Å; C547-C562 WeakPolarHBondContact SG-CB 3.1Å; C547-C562 CovalentContact SG-SG 2Å; C547-C562 PolarHBondContact SG-SG 3.29Å; D558-C562 PolarHBondContact O-SG 2.66Å; E559-C562 VanDerWaalsContact C-SG 3.55Å; E559-C562 VanDerWaalsContact CA-SG 3.52Å; W560-C562 PolarHBondContact O-N 3.38Å
563	G	46.6	Very low	54.8	Low	36 Å²	36	65.5 Å²	65.5	37%	0.371	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	16.7	171.5	0	0	0	0	0	114.1	N561 V565 Q604 Q644	N561-G563 PolarHBondContact O-N 3.08Å; N561-G563 VanDerWaalsContact O-N 3.14Å; G563-V565 PolarHBondContact O-N 3.43Å; G563-V565 VanDerWaalsContact O-N 3.15Å; G563-Q604 PolarHBondContact O-NE2 3.23Å; G563-Q644 PolarHBondContact O-NE2 2.81Å
564	T	48	Very low	53.9	Low	49 Å²	49	66.6 Å²	66.6	30%	0.301	37%	0.369	S	S	.	.			trans	-76	108.2	175.6	45.2	0	0	0	0	110.3	N561	N561-T564 HydrophobicContact CB-CG2 3.97Å; N561-T564 WeakPolarHBondContact O-CB 3.49Å; N561-T564 PolarHBondContact O-N 2.99Å; N561-T564 PolarHBondContact O-OG1 2.84Å
565	V	50.3	Low	53.2	Low	9 Å²	9	64.6 Å²	64.6	6%	0.055	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.2	157	178.1	0	0	0	0	105.3	G563 L577 T601 L605 L643	G563-V565 PolarHBondContact O-N 3.43Å; G563-V565 VanDerWaalsContact O-N 3.15Å; V565-L577 HydrophobicContact CG1-CD1 3.24Å; V565-L577 HydrophobicContact CG1-CG 4.4Å; V565-T601 HydrophobicContact CG1-CG2 4Å; V565-L605 HydrophobicContact CB-CD2 4.01Å; V565-L605 HydrophobicContact CB-CG 4.3Å; V565-L605 HydrophobicContact CG1-CD1 4.25Å; V565-L605 HydrophobicContact CG1-CD2 4.07Å; V565-L605 HydrophobicContact CG1-CG 4.22Å; V565-L605 WeakPolarHBondContact O-CD2 3.35Å; V565-L643 HydrophobicContact CG2-CB 4.27Å; V565-L643 HydrophobicContact CG2-CD2 4Å
566	T	47.5	Very low	53.1	Low	58 Å²	58	63.5 Å²	63.5	36%	0.356	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.5	174.3	54.6	0	0	0	0	108.8	T578	T566-T578 PolarHBondContact N-O 3.34Å; T566-T578 VanDerWaalsContact N-O 3.1Å; T566-T578 PolarHBondContact O-N 2.05Å; T566-T578 VanDerWaalsContact O-N 3.08Å; T566-T578 PolarHBondContact O-OG1 3.07Å; T566-T578 PolarHBondContact OG1-OG1 3.4Å
567	V	48.9	Very low	53.2	Low	40 Å²	40	61.8 Å²	61.8	24%	0.242	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	101.5	166.9	178.3	0	0	0	0	106	L569 L605	V567-L569 PolarHBondContact O-N 3.2Å; V567-L605 HydrophobicContact CG2-CD1 3.55Å; V567-L605 HydrophobicContact CG2-CD2 4.37Å
568	S	42.7	Very low	53.3	Low	49 Å²	49	62.1 Å²	62.1	34%	0.343	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	114.7	171.9	-167.7	0	0	0	0	108.2	S570 V576	S568-S570 PolarHBondContact O-N 2.88Å; S568-S570 PolarHBondContact OG-OG 3.24Å; S568-V576 PolarHBondContact N-O 2.92Å
569	L	42.3	Very low	53.3	Low	142 Å²	142	62.1 Å²	62.1	74%	0.743	34%	0.34	S	S	*	.			trans	-82.2	24.2	173.3	-75.9	164	0	0	0	111.8	V567 D571	V567-L569 PolarHBondContact O-N 3.2Å; L569-D571 PolarHBondContact O-N 3.07Å
570	S	35.8	Very low	52.8	Low	89 Å²	89	62.9 Å²	62.9	62%	0.622	34%	0.342	S	S	*	.			trans	-82.6	108.6	-176.5	-61.1	0	0	0	0	111.3	S568	S568-S570 PolarHBondContact O-N 2.88Å; S568-S570 PolarHBondContact OG-OG 3.24Å
571	D	33.2	Very low	52.9	Low	125 Å²	125	60.2 Å²	60.2	67%	0.668	33%	0.334	S	S	*	.	S	Bend	trans	85	106.1	147.2	-133.1	2.8	0	0	0	118.4	L569 S573	L569-D571 PolarHBondContact O-N 3.07Å; D571-S573 PolarHBondContact O-N 2.73Å; D571-S573 PolarHBondContact O-OG 3.2Å
572	R	42.1	Very low	53.2	Low	256 Å²	256	56.2 Å²	56.2	97%	0.966	31%	0.314	S	S	*	.	S	Bend	trans	41.3	4.6	161.9	-67	-174.1	178.3	-150.6	-0.5	120.3
573	S	42.8	Very low	53.3	Low	53 Å²	53	55.6 Å²	55.6	37%	0.371	31%	0.31	S	S	.	.	S	Bend	trans	-143.3	13	-169.4	59.5	0	0	0	0	115.8	D571	D571-S573 PolarHBondContact O-N 2.73Å; D571-S573 PolarHBondContact O-OG 3.2Å
574	G	53	Low	54	Low	24 Å²	24	54.6 Å²	54.6	25%	0.247	30%	0.299	C	S	.	.			trans	105.3	172.7	167.1	0	0	0	0	0	115.9	V576	G574-V576 PolarHBondContact O-N 3.45Å
575	S	60.2	Low	54.9	Low	21 Å²	21	58.5 Å²	58.5	15%	0.147	31%	0.314	C	S	.	.			trans	-73.3	95.5	-174	-52.9	0	0	0	0	111.7	S661 V662	S575-S661 WeakPolarHBondContact O-CA 3.08Å; S575-S661 WeakPolarHBondContact O-CB 3.08Å; S575-S661 PolarHBondContact O-OG 3.01Å; S575-V662 PolarHBondContact O-N 2.9Å
576	V	68.7	Low	55.9	Low	10 Å²	10	58.4 Å²	58.4	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	137.4	-176.1	177.3	0	0	0	0	110.7	S568 G574 R659	S568-V576 PolarHBondContact N-O 2.92Å; G574-V576 PolarHBondContact O-N 3.45Å; V576-R659 HydrophobicContact CG1-CG 4.07Å
577	L	71.3	Confident	57.3	Low	2 Å²	2	57.4 Å²	57.4	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.4	179.6	-171.6	67.4	0	0	0	111.3	V565 V588 W593 T601 L643 V660	V565-L577 HydrophobicContact CG1-CD1 3.24Å; V565-L577 HydrophobicContact CG1-CG 4.4Å; L577-V588 HydrophobicContact CD2-CB 4.31Å; L577-V588 HydrophobicContact CD2-CG2 4.04Å; L577-V588 HydrophobicContact CG-CG2 4.22Å; L577-W593 HydrophobicContact CD2-CH2 3.6Å; L577-W593 HydrophobicContact CD2-CZ2 3.9Å; L577-W593 HydrophobicContact CD2-CZ3 4.47Å; L577-T601 HydrophobicContact CD1-CG2 3.53Å; L577-T601 HydrophobicContact CD2-CG2 4.26Å; L577-L643 HydrophobicContact CD2-CD2 4.14Å; L577-V660 WeakPolarHBondContact CB-O 3.45Å; L577-V660 PolarHBondContact N-O 3.26Å
578	T	71.5	Confident	58.7	Low	13 Å²	13	55.5 Å²	55.5	8%	0.08	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.6	172.7	46.2	0	0	0	0	110.7	T566	T566-T578 PolarHBondContact N-O 3.34Å; T566-T578 VanDerWaalsContact N-O 3.1Å; T566-T578 PolarHBondContact O-N 2.05Å; T566-T578 VanDerWaalsContact O-N 3.08Å; T566-T578 PolarHBondContact O-OG1 3.07Å; T566-T578 PolarHBondContact OG1-OG1 3.4Å
579	V	69.1	Low	60.6	Low	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.1	-179.5	172.7	0	0	0	0	108.9	Y586 V588 L629 Q644 L647	V579-Y586 PolarHBondContact N-O 3.42Å; V579-Y586 PolarHBondContact O-N 2.82Å; V579-V588 HydrophobicContact CG2-CG2 3.71Å; V579-L629 HydrophobicContact CB-CD1 3.9Å; V579-L629 HydrophobicContact CG1-CD1 3.84Å; V579-Q644 HydrophobicContact CG1-CB 4.49Å; V579-Q644 HydrophobicContact CG1-CG 3.52Å; V579-L647 HydrophobicContact CG2-CD1 3.86Å
580	F	65.1	Low	62.4	Low	68 Å²	68	47 Å²	47	30%	0.298	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.6	174.1	-152.3	-108.9	0	0	0	109.7	A583 E585	F580-A583 VanDerWaalsContact CE1-CA 3.49Å; F580-A583 HydrophobicContact CE1-CB 4.41Å; F580-A583 VanDerWaalsContact CZ-C 3.5Å; F580-A583 HydrophobicContact CZ-CB 4.45Å; F580-E585 HydrophobicContact CD2-CG 3.86Å; F580-E585 HydrophobicContact CE2-CG 4.08Å
581	K	61.4	Low	64.4	Low	73 Å²	73	44.8 Å²	44.8	32%	0.317	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.8	176.7	-168.8	169.3	-175.4	168.7	0	108.7	A583 A584 Y586	K581-A583 PolarHBondContact O-N 3Å; K581-A584 PolarHBondContact N-O 2.96Å; K581-A584 PolarHBondContact O-N 3.38Å; K581-A584 VanDerWaalsContact O-O 3.1Å; K581-Y586 HydrophobicContact CB-CD2 4.01Å; K581-Y586 HydrophobicContact CB-CE2 4.07Å; K581-Y586 VanDerWaalsContact O-CE2 3.26Å; K581-Y586 WeakPolarHBondContact O-CE2 3.47Å
582	T	61.2	Low	66.5	Low	44 Å²	44	45.5 Å²	45.5	27%	0.27	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	42.3	178.8	56.7	0	0	0	0	113	R543 W546 A584 Y586	R543-T582 CarbonylContact O-C 3.29Å; W546-T582 WeakPolarHBondContact O-CA 3.4Å; T582-A584 PolarHBondContact O-N 3.47Å; T582-A584 VanDerWaalsContact O-N 3.11Å; T582-Y586 PolarHBondContact OG1-OH 3.27Å
583	A	57.3	Low	68.4	Low	5 Å²	5	35 Å²	35	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	31.2	-177.9	0	0	0	0	0	116.3	L533 R543 W546 F580 K581	L533-A583 HydrophobicContact CD1-CB 3.28Å; L533-A583 HydrophobicContact CD2-CB 4.46Å; L533-A583 HydrophobicContact CG-CB 4.41Å; R543-A583 HydrophobicContact CB-CB 4.36Å; R543-A583 HydrophobicContact CG-CB 4.48Å; R543-A583 PolarHBondContact NH2-O 3.23Å; W546-A583 HydrophobicContact CB-CB 4.48Å; F580-A583 VanDerWaalsContact CE1-CA 3.49Å; F580-A583 HydrophobicContact CE1-CB 4.41Å; F580-A583 VanDerWaalsContact CZ-C 3.5Å; F580-A583 HydrophobicContact CZ-CB 4.45Å; K581-A583 PolarHBondContact O-N 3Å
584	A	62.2	Low	70.1	Confident	15 Å²	15	34.6 Å²	34.6	12%	0.124	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.2	174.4	0	0	0	0	0	110.8	K581 T582 Y586	K581-A584 PolarHBondContact N-O 2.96Å; K581-A584 PolarHBondContact O-N 3.38Å; K581-A584 VanDerWaalsContact O-O 3.1Å; T582-A584 PolarHBondContact O-N 3.47Å; T582-A584 VanDerWaalsContact O-N 3.11Å; A584-Y586 HydrophobicContact CB-CD2 4.48Å; A584-Y586 HydrophobicContact CB-CE2 3.95Å; A584-Y586 VanDerWaalsContact O-CD2 3.29Å; A584-Y586 WeakPolarHBondContact O-CD2 3.43Å
585	E	65.6	Low	71.3	Confident	132 Å²	132	38.2 Å²	38.2	62%	0.617	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	125.1	171.2	-69.4	-177.9	176.8	0	0	110.2	F580	F580-E585 HydrophobicContact CD2-CG 3.86Å; F580-E585 HydrophobicContact CE2-CG 4.08Å
586	Y	73.1	Confident	72	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.3	172.2	-71.4	-101.9	0	0	0	110.3	V579 K581 T582 A584 R627 L629 K649	V579-Y586 PolarHBondContact N-O 3.42Å; V579-Y586 PolarHBondContact O-N 2.82Å; K581-Y586 HydrophobicContact CB-CD2 4.01Å; K581-Y586 HydrophobicContact CB-CE2 4.07Å; K581-Y586 VanDerWaalsContact O-CE2 3.26Å; K581-Y586 WeakPolarHBondContact O-CE2 3.47Å; T582-Y586 PolarHBondContact OG1-OH 3.27Å; A584-Y586 HydrophobicContact CB-CD2 4.48Å; A584-Y586 HydrophobicContact CB-CE2 3.95Å; A584-Y586 VanDerWaalsContact O-CD2 3.29Å; A584-Y586 WeakPolarHBondContact O-CD2 3.43Å; Y586-R627 WeakPolarHBondContact CA-O 3.5Å; Y586-R627 HydrophobicContact CD1-CB 3.44Å; Y586-R627 VanDerWaalsContact CD1-CB 3.44Å; Y586-R627 HydrophobicContact CE1-CB 3.52Å; Y586-R627 HydrophobicContact CE1-CG 4.34Å; Y586-R627 HydrophobicContact CG-CB 4.12Å; Y586-L629 VanDerWaalsContact CB-CD1 3.42Å; Y586-L629 HydrophobicContact CD1-CD1 4.39Å; Y586-L629 HydrophobicContact CD1-CD2 4.14Å; Y586-L629 HydrophobicContact CD1-CG 3.82Å; Y586-L629 HydrophobicContact CG-CD1 3.92Å; Y586-L629 HydrophobicContact CG-CD2 4.44Å; Y586-L629 HydrophobicContact CG-CG 3.86Å; Y586-K649 HydrophobicContact CE1-CD 4.09Å; Y586-K649 HydrophobicContact CE1-CG 4.41Å
587	Q	75.9	Confident	72.4	Confident	37 Å²	37	41.4 Å²	41.4	17%	0.173	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.8	171.2	-65	-177.9	-10.2	0	0	109.7	R627 W628 L629	Q587-R627 PolarHBondContact N-O 2.96Å; Q587-W628 HydrophobicContact CB-CE3 4.22Å; Q587-W628 HydrophobicContact CB-CZ3 4.35Å; Q587-W628 CarbonylContact O-C 3.44Å; Q587-W628 WeakPolarHBondContact O-CA 3.29Å; Q587-L629 PolarHBondContact O-N 3.41Å
588	V	79.5	Confident	72.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.2	177.7	-174.8	0	0	0	0	109.5	L577 V579 W593 L647 V660	L577-V588 HydrophobicContact CD2-CB 4.31Å; L577-V588 HydrophobicContact CD2-CG2 4.04Å; L577-V588 HydrophobicContact CG-CG2 4.22Å; V579-V588 HydrophobicContact CG2-CG2 3.71Å; V588-W593 HydrophobicContact CG1-CE3 3.79Å; V588-W593 HydrophobicContact CG1-CH2 4.1Å; V588-W593 HydrophobicContact CG1-CZ3 3.34Å; V588-L647 HydrophobicContact CG1-CD2 4.09Å; V588-L647 HydrophobicContact CG2-CD1 4.03Å; V588-V660 HydrophobicContact CG1-CG2 4.33Å; V588-V660 PolarHBondContact O-N 2.98Å
589	C	81.3	Confident	72.7	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-67	138.2	176.2	-175.5	0	0	0	0	110.1	D591 W628 L629 C654	C589-D591 PolarHBondContact O-N 2.9Å; C589-D591 VanDerWaalsContact SG-CB 3.56Å; C589-D591 PolarHBondContact SG-OD2 2.96Å; C589-W628 HydrophobicContact CB-CE3 4.09Å; C589-L629 WeakPolarHBondContact CB-O 3.49Å; C589-L629 PolarHBondContact N-O 3.48Å; C589-C654 VanDerWaalsContact CA-SG 3.55Å; C589-C654 HydrophobicContact CB-CB 3.78Å; C589-C654 WeakPolarHBondContact CB-SG 3.47Å; C589-C654 VanDerWaalsContact SG-CA 3.54Å; C589-C654 WeakPolarHBondContact SG-CB 3.12Å; C589-C654 CovalentContact SG-SG 2.04Å; C589-C654 PolarHBondContact SG-SG 2.74Å
590	A	79.6	Confident	72.9	Confident	11 Å²	11	47 Å²	47	9%	0.091	23%	0.232	C	C	.	.			trans	-76.1	-10.3	177.9	0	0	0	0	0	113.7	E592 W593 M615 R658 V660	A590-E592 PolarHBondContact O-N 2.99Å; A590-W593 WeakPolarHBondContact O-CB 3.33Å; A590-W593 PolarHBondContact O-N 2.94Å; A590-M615 HydrophobicContact CB-CG 4.2Å; A590-R658 HydrophobicContact CB-CB 3.86Å; A590-R658 WeakPolarHBondContact CB-O 2.95Å; A590-R658 PolarHBondContact N-O 2.89Å; A590-R658 VanDerWaalsContact N-O 3.09Å; A590-V660 HydrophobicContact CB-CG2 4.01Å
591	D	79.1	Confident	73.3	Confident	44 Å²	44	43.8 Å²	43.8	24%	0.235	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	130.8	179.2	-58	-16.7	0	0	0	109.2	C589 W593 H655 S656	C589-D591 PolarHBondContact O-N 2.9Å; C589-D591 VanDerWaalsContact SG-CB 3.56Å; C589-D591 PolarHBondContact SG-OD2 2.96Å; D591-W593 PolarHBondContact O-N 3.26Å; D591-H655 WeakPolarHBondContact OD2-CB 3.46Å; D591-H655 PolarHBondContact OD2-N 3.06Å; D591-S656 WeakPolarHBondContact OD1-CB 3.32Å; D591-S656 PolarHBondContact OD1-OG 2.95Å; D591-S656 PolarHBondContact OD2-N 3.36Å
592	E	77	Confident	73.6	Confident	140 Å²	140	40.3 Å²	40.3	65%	0.654	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	20.6	-179.8	-56.5	178.6	-173	0	0	115.2	A590 N594	A590-E592 PolarHBondContact O-N 2.99Å; E592-N594 PolarHBondContact O-N 3.38Å
593	W	81.5	Confident	73.9	Confident	35 Å²	35	42.8 Å²	42.8	13%	0.133	21%	0.211	C	C	.	.			trans	-71	123.3	177.4	-169.1	-98.7	0	0	0	112.7	L577 V588 A590 D591 L597 S598 V631 L643 L647 V660 V662	L577-W593 HydrophobicContact CD2-CH2 3.6Å; L577-W593 HydrophobicContact CD2-CZ2 3.9Å; L577-W593 HydrophobicContact CD2-CZ3 4.47Å; V588-W593 HydrophobicContact CG1-CE3 3.79Å; V588-W593 HydrophobicContact CG1-CH2 4.1Å; V588-W593 HydrophobicContact CG1-CZ3 3.34Å; A590-W593 WeakPolarHBondContact O-CB 3.33Å; A590-W593 PolarHBondContact O-N 2.94Å; D591-W593 PolarHBondContact O-N 3.26Å; W593-L597 HydrophobicContact CD2-CD1 4.45Å; W593-L597 HydrophobicContact CE3-CD1 4.12Å; W593-L597 HydrophobicContact CH2-CB 4.09Å; W593-L597 HydrophobicContact CZ2-CB 3.92Å; W593-L597 HydrophobicContact CZ3-CB 4.43Å; W593-L597 HydrophobicContact CZ3-CD1 4.2Å; W593-S598 PolarHBondContact NE1-OG 3.37Å; W593-V631 HydrophobicContact CE3-CG2 3.75Å; W593-V631 HydrophobicContact CZ3-CG2 4.21Å; W593-L643 HydrophobicContact CH2-CD1 3.76Å; W593-L643 HydrophobicContact CH2-CD2 4.06Å; W593-L643 HydrophobicContact CH2-CG 4.46Å; W593-L643 HydrophobicContact CZ3-CD1 4.34Å; W593-L647 HydrophobicContact CZ3-CD2 4.29Å; W593-V660 HydrophobicContact CB-CG2 4.23Å; W593-V660 HydrophobicContact CD2-CB 4.47Å; W593-V660 HydrophobicContact CD2-CG1 4.06Å; W593-V660 HydrophobicContact CD2-CG2 3.74Å; W593-V660 HydrophobicContact CE3-CG2 3.99Å; W593-V660 HydrophobicContact CG-CG1 4.25Å; W593-V660 HydrophobicContact CG-CG2 3.84Å; W593-V660 HydrophobicContact CZ2-CG1 4.05Å; W593-V662 HydrophobicContact CZ2-CG2 4.48Å
594	N	79.5	Confident	74.2	Confident	45 Å²	45	45.5 Å²	45.5	24%	0.241	22%	0.223	C	C	.	.			trans	-97.2	138	179.5	-174.6	-20.7	0	0	0	111.8	E592 E596 L597 S598 W635	E592-N594 PolarHBondContact O-N 3.38Å; N594-E596 PolarHBondContact O-N 3.07Å; N594-E596 VanDerWaalsContact O-N 3.13Å; N594-E596 PolarHBondContact OD1-N 3.22Å; N594-L597 HydrophobicContact CB-CD1 4.23Å; N594-L597 HydrophobicContact CB-CG 4.24Å; N594-L597 WeakPolarHBondContact O-CB 3.46Å; N594-L597 PolarHBondContact O-N 3.01Å; N594-S598 PolarHBondContact O-N 3.14Å; N594-W635 VanDerWaalsContact ND2-CH2 3.27Å; N594-W635 WeakPolarHBondContact ND2-CH2 3.03Å; N594-W635 WeakPolarHBondContact ND2-CZ2 3.33Å
595	P	76.8	Confident	74.2	Confident	99 Å²	99	46.9 Å²	46.9	64%	0.643	23%	0.228	S	C	*	.	H	α-helix	trans	-45.7	-35.9	167.7	-30.2	32.7	0	0	0	115.2	L597 S598 R599	P595-L597 VanDerWaalsContact C-N 3.3Å; P595-L597 PolarHBondContact O-N 3.45Å; P595-S598 WeakPolarHBondContact O-CA 3.32Å; P595-S598 WeakPolarHBondContact O-CB 3.32Å; P595-S598 PolarHBondContact O-N 3.02Å; P595-R599 PolarHBondContact O-N 2.91Å
596	E	75.6	Confident	73.8	Confident	97 Å²	97	43.6 Å²	43.6	45%	0.453	23%	0.23	S	C	.	.	H	α-helix	trans	-67.3	-31.2	-179.4	-156.6	161.4	-159.8	0	0	112.8	N594 S598 R599 L600 W635	N594-E596 PolarHBondContact O-N 3.07Å; N594-E596 VanDerWaalsContact O-N 3.13Å; N594-E596 PolarHBondContact OD1-N 3.22Å; E596-S598 VanDerWaalsContact C-N 3.27Å; E596-S598 PolarHBondContact O-N 2.78Å; E596-R599 PolarHBondContact O-N 3.03Å; E596-L600 WeakPolarHBondContact O-CG 3.25Å; E596-L600 PolarHBondContact O-N 2.03Å; E596-L600 VanDerWaalsContact O-N 3.13Å; E596-W635 HydrophobicContact CB-CH2 4.43Å; E596-W635 WeakPolarHBondContact OE2-CH2 3.4Å
597	L	77.9	Confident	73.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-30.4	170.3	-62.6	171.9	0	0	0	111.4	W593 N594 P595 L600 T601 V631 W635 L643 R646	W593-L597 HydrophobicContact CD2-CD1 4.45Å; W593-L597 HydrophobicContact CE3-CD1 4.12Å; W593-L597 HydrophobicContact CH2-CB 4.09Å; W593-L597 HydrophobicContact CZ2-CB 3.92Å; W593-L597 HydrophobicContact CZ3-CB 4.43Å; W593-L597 HydrophobicContact CZ3-CD1 4.2Å; N594-L597 HydrophobicContact CB-CD1 4.23Å; N594-L597 HydrophobicContact CB-CG 4.24Å; N594-L597 WeakPolarHBondContact O-CB 3.46Å; N594-L597 PolarHBondContact O-N 3.01Å; P595-L597 VanDerWaalsContact C-N 3.3Å; P595-L597 PolarHBondContact O-N 3.45Å; L597-L600 HydrophobicContact CD2-CD1 4.36Å; L597-L600 PolarHBondContact O-N 3.01Å; L597-T601 WeakPolarHBondContact O-CB 3.46Å; L597-T601 PolarHBondContact O-N 3.37Å; L597-T601 PolarHBondContact O-OG1 3.36Å; L597-V631 HydrophobicContact CD1-CG1 3.8Å; L597-V631 HydrophobicContact CD1-CG2 3.84Å; L597-W635 HydrophobicContact CD2-CE3 4.03Å; L597-L643 HydrophobicContact CB-CD1 4.04Å; L597-L643 HydrophobicContact CD2-CD1 4.06Å; L597-R646 HydrophobicContact CD2-CB 4.5Å
598	S	76.4	Confident	72.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	25%	0.25	C	C	.	.	H	α-helix	trans	-69.6	-35.3	176.6	-47.6	0	0	0	0	111.4	W593 N594 P595 E596 T601 C602 V613	W593-S598 PolarHBondContact NE1-OG 3.37Å; N594-S598 PolarHBondContact O-N 3.14Å; P595-S598 WeakPolarHBondContact O-CA 3.32Å; P595-S598 WeakPolarHBondContact O-CB 3.32Å; P595-S598 PolarHBondContact O-N 3.02Å; E596-S598 VanDerWaalsContact C-N 3.27Å; E596-S598 PolarHBondContact O-N 2.78Å; S598-T601 WeakPolarHBondContact O-CB 3.38Å; S598-T601 PolarHBondContact O-N 2.91Å; S598-C602 PolarHBondContact O-N 3.48Å; S598-C602 VanDerWaalsContact O-N 3.08Å; S598-C602 PolarHBondContact O-SG 3.43Å; S598-V613 WeakPolarHBondContact OG-CG2 3.24Å
599	R	72.2	Confident	72	Confident	111 Å²	111	48.4 Å²	48.4	42%	0.419	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-50.7	171.8	-172.7	-178.3	69.1	104.3	-7.6	111.4	P595 E596 T601 C602 E603 P610	P595-R599 PolarHBondContact O-N 2.91Å; E596-R599 PolarHBondContact O-N 3.03Å; R599-T601 PolarHBondContact O-N 2.84Å; R599-C602 PolarHBondContact O-N 3.13Å; R599-C602 VanDerWaalsContact O-N 3.13Å; R599-E603 HydrophobicContact CG-CG 4.49Å; R599-E603 WeakPolarHBondContact CG-OE1 3.4Å; R599-E603 IonicContact CZ-OE1 3.47Å; R599-E603 IonicContact NE-OE1 3.12Å; R599-E603 IonicContact NH1-OE1 2.72Å; R599-E603 PolarHBondContact NH1-OE1 3.28Å; R599-E603 IonicContact NH1-OE2 3.81Å; R599-E603 WeakPolarHBondContact O-CG 2.96Å; R599-E603 PolarHBondContact O-N 3.17Å; R599-P610 HydrophobicContact CB-CG 4.35Å
600	L	72.7	Confident	71.3	Confident	23 Å²	23	50.6 Å²	50.6	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-38.3	175.5	-70.5	167.7	0	0	0	112.1	E596 L597 Q604 R646	E596-L600 WeakPolarHBondContact O-CG 3.25Å; E596-L600 PolarHBondContact O-N 2.03Å; E596-L600 VanDerWaalsContact O-N 3.13Å; L597-L600 HydrophobicContact CD2-CD1 4.36Å; L597-L600 PolarHBondContact O-N 3.01Å; L600-Q604 VanDerWaalsContact O-CB 3.23Å; L600-Q604 WeakPolarHBondContact O-CB 3.42Å; L600-Q604 PolarHBondContact O-N 2.74Å; L600-R646 VanDerWaalsContact CD1-NH1 3.3Å
601	T	72.7	Confident	70.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-48.5	175.9	-56.8	0	0	0	0	111.2	V565 L577 L597 S598 R599 Q604 L605 L643	V565-T601 HydrophobicContact CG1-CG2 4Å; L577-T601 HydrophobicContact CD1-CG2 3.53Å; L577-T601 HydrophobicContact CD2-CG2 4.26Å; L597-T601 WeakPolarHBondContact O-CB 3.46Å; L597-T601 PolarHBondContact O-N 3.37Å; L597-T601 PolarHBondContact O-OG1 3.36Å; S598-T601 WeakPolarHBondContact O-CB 3.38Å; S598-T601 PolarHBondContact O-N 2.91Å; R599-T601 PolarHBondContact O-N 2.84Å; T601-Q604 PolarHBondContact O-N 3.46Å; T601-L605 HydrophobicContact CG2-CD1 3.98Å; T601-L605 WeakPolarHBondContact O-CB 3.42Å; T601-L605 WeakPolarHBondContact O-CD1 3.48Å; T601-L605 WeakPolarHBondContact O-CG 3.17Å; T601-L605 PolarHBondContact O-N 3.47Å; T601-L643 HydrophobicContact CG2-CD2 4.33Å; T601-L643 WeakPolarHBondContact OG1-CD2 3.08Å
602	C	68.1	Low	70	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-72.2	-33.6	-179.2	-65.6	0	0	0	0	113.4	S598 R599 L605 G606 L607 G608 P610 C664	S598-C602 PolarHBondContact O-N 3.48Å; S598-C602 VanDerWaalsContact O-N 3.08Å; S598-C602 PolarHBondContact O-SG 3.43Å; R599-C602 PolarHBondContact O-N 3.13Å; R599-C602 VanDerWaalsContact O-N 3.13Å; C602-L605 PolarHBondContact O-N 3.17Å; C602-G606 PolarHBondContact O-N 3.13Å; C602-L607 PolarHBondContact O-N 3.32Å; C602-G608 CarbonylContact C-O 3.59Å; C602-G608 WeakPolarHBondContact CB-O 3.48Å; C602-G608 PolarHBondContact O-N 3.16Å; C602-P610 VanDerWaalsContact SG-CA 3.58Å; C602-C664 WeakPolarHBondContact CA-SG 3.13Å; C602-C664 HydrophobicContact CB-CB 3.71Å; C602-C664 WeakPolarHBondContact CB-SG 3.4Å; C602-C664 VanDerWaalsContact SG-CA 3.56Å; C602-C664 WeakPolarHBondContact SG-CB 2.99Å; C602-C664 CovalentContact SG-SG 2.04Å; C602-C664 PolarHBondContact SG-SG 3.46Å
603	E	67.6	Low	69.9	Low	95 Å²	95	50.3 Å²	50.3	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-46.1	172.1	-75.8	172.9	-178.2	0	0	111.2	R599 L605 G606	R599-E603 HydrophobicContact CG-CG 4.49Å; R599-E603 WeakPolarHBondContact CG-OE1 3.4Å; R599-E603 IonicContact CZ-OE1 3.47Å; R599-E603 IonicContact NE-OE1 3.12Å; R599-E603 IonicContact NH1-OE1 2.72Å; R599-E603 PolarHBondContact NH1-OE1 3.28Å; R599-E603 IonicContact NH1-OE2 3.81Å; R599-E603 WeakPolarHBondContact O-CG 2.96Å; R599-E603 PolarHBondContact O-N 3.17Å; E603-L605 VanDerWaalsContact C-N 3.3Å; E603-L605 PolarHBondContact O-N 3.02Å; E603-G606 PolarHBondContact O-N 3.44Å
604	Q	64.8	Low	69.7	Low	62 Å²	62	51.1 Å²	51.1	29%	0.29	31%	0.31	S	S	.	.	H	α-helix	trans	-68.9	-27.6	179.2	-170.1	174	-9.3	0	0	113.1	G563 L600 T601 G606	G563-Q604 PolarHBondContact O-NE2 3.23Å; L600-Q604 VanDerWaalsContact O-CB 3.23Å; L600-Q604 WeakPolarHBondContact O-CB 3.42Å; L600-Q604 PolarHBondContact O-N 2.74Å; T601-Q604 PolarHBondContact O-N 3.46Å; Q604-G606 VanDerWaalsContact C-N 3.26Å
605	L	62	Low	69.7	Low	44 Å²	44	54.6 Å²	54.6	23%	0.23	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.6	171.9	-72.6	167.6	0	0	0	113.3	V565 V567 T601 C602 E603 L607	V565-L605 HydrophobicContact CB-CD2 4.01Å; V565-L605 HydrophobicContact CB-CG 4.3Å; V565-L605 HydrophobicContact CG1-CD1 4.25Å; V565-L605 HydrophobicContact CG1-CD2 4.07Å; V565-L605 HydrophobicContact CG1-CG 4.22Å; V565-L605 WeakPolarHBondContact O-CD2 3.35Å; V567-L605 HydrophobicContact CG2-CD1 3.55Å; V567-L605 HydrophobicContact CG2-CD2 4.37Å; T601-L605 HydrophobicContact CG2-CD1 3.98Å; T601-L605 WeakPolarHBondContact O-CB 3.42Å; T601-L605 WeakPolarHBondContact O-CD1 3.48Å; T601-L605 WeakPolarHBondContact O-CG 3.17Å; T601-L605 PolarHBondContact O-N 3.47Å; C602-L605 PolarHBondContact O-N 3.17Å; E603-L605 VanDerWaalsContact C-N 3.3Å; E603-L605 PolarHBondContact O-N 3.02Å; L605-L607 HydrophobicContact CB-CB 4.21Å; L605-L607 HydrophobicContact CB-CD1 3.98Å; L605-L607 HydrophobicContact CB-CG 3.95Å; L605-L607 HydrophobicContact CD1-CD1 4.31Å; L605-L607 PolarHBondContact O-N 3.25Å
606	G	57.5	Low	69.6	Low	64 Å²	64	51 Å²	51	66%	0.66	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	17	-172	0	0	0	0	0	113.5	C602 E603 Q604	C602-G606 PolarHBondContact O-N 3.13Å; E603-G606 PolarHBondContact O-N 3.44Å; Q604-G606 VanDerWaalsContact C-N 3.26Å
607	L	61	Low	69.4	Low	62 Å²	62	50.5 Å²	50.5	33%	0.325	31%	0.307	S	S	.	.			trans	-100.3	11.3	-174.9	-66.3	177	0	0	0	113.1	C602 L605 C664 S665 R666	C602-L607 PolarHBondContact O-N 3.32Å; L605-L607 HydrophobicContact CB-CB 4.21Å; L605-L607 HydrophobicContact CB-CD1 3.98Å; L605-L607 HydrophobicContact CB-CG 3.95Å; L605-L607 HydrophobicContact CD1-CD1 4.31Å; L605-L607 PolarHBondContact O-N 3.25Å; L607-C664 HydrophobicContact CB-CB 3.5Å; L607-C664 VanDerWaalsContact CB-CB 3.5Å; L607-C664 HydrophobicContact CD1-CB 4.23Å; L607-S665 CarbonylContact O-C 3.57Å; L607-S665 VanDerWaalsContact O-C 3.23Å; L607-R666 WeakPolarHBondContact O-CA 2.98Å; L607-R666 PolarHBondContact O-N 3.09Å
608	G	65.1	Low	68.7	Low	29 Å²	29	52.4 Å²	52.4	30%	0.299	32%	0.317	S	S	.	.			trans	83.4	-133.3	173.5	0	0	0	0	0	113.6	C602	C602-G608 CarbonylContact C-O 3.59Å; C602-G608 WeakPolarHBondContact CB-O 3.48Å; C602-G608 PolarHBondContact O-N 3.16Å
609	A	64	Low	67.9	Low	54 Å²	54	58.9 Å²	58.9	45%	0.446	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	154	-176.9	0	0	0	0	0	112.6	S611 C664 S665	A609-S611 PolarHBondContact O-N 3.26Å; A609-C664 WeakPolarHBondContact O-CA 3.21Å; A609-S665 PolarHBondContact O-N 3.36Å; A609-S665 PolarHBondContact O-OG 2.9Å; A609-S665 VanDerWaalsContact O-OG 3.11Å
610	P	66.9	Low	66.9	Low	46 Å²	46	60.3 Å²	60.3	30%	0.299	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.2	175.9	28.2	-32.1	0	0	0	110.3	R599 C602 V662	R599-P610 HydrophobicContact CB-CG 4.35Å; C602-P610 VanDerWaalsContact SG-CA 3.58Å; P610-V662 HydrophobicContact CB-CG1 4.35Å
611	S	65.3	Low	65.6	Low	71 Å²	71	62.5 Å²	62.5	50%	0.497	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-34.2	179.1	56.4	0	0	0	0	113	A609 R663 S665	A609-S611 PolarHBondContact O-N 3.26Å; S611-R663 PolarHBondContact N-O 3.42Å; S611-R663 PolarHBondContact OG-O 3.32Å; S611-S665 PolarHBondContact OG-N 3.17Å
612	S	66.3	Low	64.2	Low	51 Å²	51	65.7 Å²	65.7	36%	0.357	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	140	171.2	68.1	0	0	0	0	111.3	R663	S612-R663 PolarHBondContact N-O 3.2Å; S612-R663 PolarHBondContact O-N 3.39Å; S612-R663 WeakPolarHBondContact OG-CB 3.37Å; S612-R663 WeakPolarHBondContact OG-CD 3.43Å
613	V	73.6	Confident	62.9	Low	67 Å²	67	72.3 Å²	72.3	41%	0.406	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.2	172.3	-175.5	0	0	0	0	108	S598 V660 S661	S598-V613 WeakPolarHBondContact OG-CG2 3.24Å; V613-V660 HydrophobicContact CG1-CG1 4.23Å; V613-S661 CarbonylContact C-O 3.6Å; V613-S661 WeakPolarHBondContact CA-O 3.48Å
614	S	76.9	Confident	62	Low	52 Å²	52	70.6 Å²	70.6	36%	0.364	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.8	176.9	67.4	0	0	0	0	110.8	S661	S614-S661 PolarHBondContact N-O 3.25Å; S614-S661 WeakPolarHBondContact O-CA 3.43Å; S614-S661 WeakPolarHBondContact O-CB 3.2Å; S614-S661 PolarHBondContact O-N 2.73Å; S614-S661 WeakPolarHBondContact OG-CB 3.38Å; S614-S661 PolarHBondContact OG-OG 3.23Å
615	M	80.1	Confident	61.4	Low	118 Å²	118	79.5 Å²	79.5	58%	0.581	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.4	177.8	-59.1	171.6	-148.2	0	0	107.9	A590 R658	A590-M615 HydrophobicContact CB-CG 4.2Å; M615-R658 HydrophobicContact CB-CB 4.42Å
616	V	74.5	Confident	61.4	Low	22 Å²	22	81 Å²	81	13%	0.133	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.7	-175.5	-177.5	0	0	0	0	108.6	R658 R659	V616-R658 WeakPolarHBondContact O-CA 3.48Å; V616-R659 HydrophobicContact CB-CG 4.08Å; V616-R659 PolarHBondContact N-O 2.88Å; V616-R659 PolarHBondContact O-N 3.3Å
617	P	71.6	Confident	62.1	Low	87 Å²	87	84.1 Å²	84.1	57%	0.565	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	139.9	173	27.7	-32.5	0	0	0	110.3	Q619	P617-Q619 PolarHBondContact O-N 2.85Å
618	D	64	Low	62.7	Low	41 Å²	41	82.6 Å²	82.6	22%	0.219	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-68.8	127.1	178.9	-169.1	23.3	0	0	0	111.5	R626 R657	D618-R626 IonicContact OD1-CZ 3.39Å; D618-R626 IonicContact OD1-NH1 2.65Å; D618-R626 PolarHBondContact OD1-NH1 3.42Å; D618-R626 IonicContact OD1-NH2 3.56Å; D618-R626 IonicContact OD2-CZ 3.32Å; D618-R626 VanDerWaalsContact OD2-CZ 3.32Å; D618-R626 IonicContact OD2-NE 3.76Å; D618-R626 IonicContact OD2-NH1 3.03Å; D618-R626 PolarHBondContact OD2-NH1 3.45Å; D618-R626 IonicContact OD2-NH2 3.82Å; D618-R657 VanDerWaalsContact CB-O 3.28Å; D618-R657 WeakPolarHBondContact CB-O 2.88Å; D618-R657 PolarHBondContact N-O 3.11Å
619	Q	59.8	Low	63.2	Low	138 Å²	138	81.2 Å²	81.2	65%	0.645	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-80.9	132.3	176.5	-77.5	-167.2	2.8	0	0	111	P617 G621 R626	P617-Q619 PolarHBondContact O-N 2.85Å; Q619-G621 VanDerWaalsContact C-N 3.31Å; Q619-G621 PolarHBondContact O-N 3.46Å; Q619-R626 PolarHBondContact O-NH2 3.12Å
620	P	49.8	Very low	64.1	Low	141 Å²	141	79.6 Å²	79.6	92%	0.916	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	60.9	-173.1	33	-35.9	0	0	0	113.7
621	G	45.7	Very low	64.6	Low	69 Å²	69	77.6 Å²	77.6	71%	0.711	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	-10.7	-174.3	0	0	0	0	0	119.9	Q619	Q619-G621 VanDerWaalsContact C-N 3.31Å; Q619-G621 PolarHBondContact O-N 3.46Å
622	A	44.3	Very low	65.2	Low	66 Å²	66	75.6 Å²	75.6	55%	0.545	43%	0.43	S	S	.	.			trans	-93.1	128.2	-177	0	0	0	0	0	113.1	G624	A622-G624 PolarHBondContact O-N 3.25Å
623	P	40.4	Very low	65.4	Low	139 Å²	139	76.8 Å²	76.8	90%	0.903	44%	0.437	S	S	*	.			trans	-79.3	110.3	179.5	31.3	-30.7	0	0	0	110.5
624	G	48.2	Very low	65.4	Low	59 Å²	59	78.9 Å²	78.9	61%	0.608	44%	0.442	S	S	*	.	S	Bend	trans	168.2	144.1	175	0	0	0	0	0	112.9	A622 R626	A622-G624 PolarHBondContact O-N 3.25Å; G624-R626 PolarHBondContact O-N 3.08Å
625	R	52.4	Low	65.1	Low	249 Å²	249	78.6 Å²	78.6	94%	0.94	43%	0.433	S	S	*	.			trans	-70.8	95.7	176.5	-148.5	-178.9	-167	-170.3	4.4	108.6
626	R	61.7	Low	64.4	Low	76 Å²	76	78.1 Å²	78.1	29%	0.287	43%	0.433	S	S	.	.			trans	-66.4	134.4	-172.7	-60.9	-178.9	-179.4	-132.9	14.9	111.7	D618 Q619 G624	D618-R626 IonicContact OD1-CZ 3.39Å; D618-R626 IonicContact OD1-NH1 2.65Å; D618-R626 PolarHBondContact OD1-NH1 3.42Å; D618-R626 IonicContact OD1-NH2 3.56Å; D618-R626 IonicContact OD2-CZ 3.32Å; D618-R626 VanDerWaalsContact OD2-CZ 3.32Å; D618-R626 IonicContact OD2-NE 3.76Å; D618-R626 IonicContact OD2-NH1 3.03Å; D618-R626 PolarHBondContact OD2-NH1 3.45Å; D618-R626 IonicContact OD2-NH2 3.82Å; Q619-R626 PolarHBondContact O-NH2 3.12Å; G624-R626 PolarHBondContact O-N 3.08Å
627	R	73.2	Confident	63.8	Low	129 Å²	129	83 Å²	83	49%	0.487	46%	0.458	S	S	.	.			trans	-109.8	123.5	-178	-55.1	-178.6	-178.3	-167.2	1.6	109.2	Y586 Q587	Y586-R627 WeakPolarHBondContact CA-O 3.5Å; Y586-R627 HydrophobicContact CD1-CB 3.44Å; Y586-R627 VanDerWaalsContact CD1-CB 3.44Å; Y586-R627 HydrophobicContact CE1-CB 3.52Å; Y586-R627 HydrophobicContact CE1-CG 4.34Å; Y586-R627 HydrophobicContact CG-CB 4.12Å; Q587-R627 PolarHBondContact N-O 2.96Å
628	W	72.8	Confident	63.3	Low	30 Å²	30	85 Å²	85	11%	0.114	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.3	-174.7	-64.7	90.7	0	0	0	111.6	Q587 C589 C654	Q587-W628 HydrophobicContact CB-CE3 4.22Å; Q587-W628 HydrophobicContact CB-CZ3 4.35Å; Q587-W628 CarbonylContact O-C 3.44Å; Q587-W628 WeakPolarHBondContact O-CA 3.29Å; C589-W628 HydrophobicContact CB-CE3 4.09Å; W628-C654 HydrophobicContact CD2-CB 3.64Å; W628-C654 HydrophobicContact CE3-CB 3.4Å; W628-C654 HydrophobicContact CG-CB 4.35Å; W628-C654 HydrophobicContact CH2-CB 3.92Å; W628-C654 HydrophobicContact CZ2-CB 4.14Å; W628-C654 HydrophobicContact CZ3-CB 3.54Å
629	L	77	Confident	62.8	Low	1 Å²	1	91.6 Å²	91.6	1%	0.005	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.8	165.7	-73	170.6	0	0	0	109.5	V579 Y586 Q587 C589 L647 E648 K649	V579-L629 HydrophobicContact CB-CD1 3.9Å; V579-L629 HydrophobicContact CG1-CD1 3.84Å; Y586-L629 VanDerWaalsContact CB-CD1 3.42Å; Y586-L629 HydrophobicContact CD1-CD1 4.39Å; Y586-L629 HydrophobicContact CD1-CD2 4.14Å; Y586-L629 HydrophobicContact CD1-CG 3.82Å; Y586-L629 HydrophobicContact CG-CD1 3.92Å; Y586-L629 HydrophobicContact CG-CD2 4.44Å; Y586-L629 HydrophobicContact CG-CG 3.86Å; Q587-L629 PolarHBondContact O-N 3.41Å; C589-L629 WeakPolarHBondContact CB-O 3.49Å; C589-L629 PolarHBondContact N-O 3.48Å; L629-L647 HydrophobicContact CB-CB 4.31Å; L629-L647 HydrophobicContact CD1-CB 4.42Å; L629-L647 HydrophobicContact CD1-CD1 4.43Å; L629-E648 WeakPolarHBondContact CA-O 3.15Å; L629-K649 HydrophobicContact CD2-CB 4.17Å
630	H	81	Confident	62.6	Low	20 Å²	20	85.7 Å²	85.7	9%	0.093	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153	-179.9	-66.9	-99.1	0	0	0	109.9	L647 E648 R650 H652	H630-L647 CarbonylContact O-C 3.57Å; H630-L647 WeakPolarHBondContact O-CA 3.27Å; H630-E648 PolarHBondContact N-O 3.09Å; H630-E648 PolarHBondContact O-N 3.38Å; H630-R650 HydrophobicContact CB-CG 4.39Å; H630-H652 PolarHBondContact NE2-O 3.05Å
631	V	78.7	Confident	62.9	Low	4 Å²	4	84.6 Å²	84.6	2%	0.024	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132	172.2	-177.7	0	0	0	0	108.6	W593 L597 W635 L647	W593-V631 HydrophobicContact CE3-CG2 3.75Å; W593-V631 HydrophobicContact CZ3-CG2 4.21Å; L597-V631 HydrophobicContact CD1-CG1 3.8Å; L597-V631 HydrophobicContact CD1-CG2 3.84Å; V631-W635 HydrophobicContact CG1-CB 4.07Å; V631-W635 HydrophobicContact CG1-CG 4.12Å; V631-L647 HydrophobicContact CG2-CD2 4.2Å
632	H	77.1	Confident	63.7	Low	28 Å²	28	82.6 Å²	82.6	13%	0.13	44%	0.438	C	S	.	.			trans	-69.6	140.5	177.1	-171.3	-82.5	0	0	0	110.2	E634 W635 R638 R646 E648	H632-E634 PolarHBondContact ND1-N 2.05Å; H632-E634 VanDerWaalsContact ND1-N 3.13Å; H632-E634 PolarHBondContact O-N 3.37Å; H632-W635 WeakPolarHBondContact O-CB 3.35Å; H632-W635 PolarHBondContact O-N 3.36Å; H632-W635 VanDerWaalsContact O-N 3.13Å; H632-R638 PolarHBondContact NE2-NH2 2.95Å; H632-R646 WeakPolarHBondContact CB-O 3.3Å; H632-R646 PolarHBondContact N-O 3.16Å; H632-E648 HydrophobicContact CB-CG 4.36Å; H632-E648 IonicContact CD2-OE2 2.78Å; H632-E648 PolarHBondContact CD2-OE2 2.74Å; H632-E648 IonicContact NE2-OE2 3.6Å
633	P	71.9	Confident	65	Low	76 Å²	76	79.5 Å²	79.5	49%	0.494	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.2	-177.7	-25.6	34.4	0	0	0	113.5	R650	P633-R650 VanDerWaalsContact CD-NH2 3.33Å
634	E	72.7	Confident	66.3	Low	111 Å²	111	73.8 Å²	73.8	52%	0.519	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	42.3	178.3	-57.6	177.3	155	0	0	112.4	H632 N636 L637	H632-E634 PolarHBondContact ND1-N 2.05Å; H632-E634 VanDerWaalsContact ND1-N 3.13Å; H632-E634 PolarHBondContact O-N 3.37Å; E634-N636 PolarHBondContact O-N 3.34Å; E634-L637 HydrophobicContact CB-CB 4.48Å; E634-L637 HydrophobicContact CB-CD1 4.28Å; E634-L637 HydrophobicContact CG-CD1 4.45Å; E634-L637 PolarHBondContact O-N 3.21Å
635	W	69.6	Low	67.1	Low	47 Å²	47	73 Å²	73	18%	0.178	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.4	-177.7	65.7	-88.7	0	0	0	113.8	N594 E596 L597 V631 H632 R646	N594-W635 VanDerWaalsContact ND2-CH2 3.27Å; N594-W635 WeakPolarHBondContact ND2-CH2 3.03Å; N594-W635 WeakPolarHBondContact ND2-CZ2 3.33Å; E596-W635 HydrophobicContact CB-CH2 4.43Å; E596-W635 WeakPolarHBondContact OE2-CH2 3.4Å; L597-W635 HydrophobicContact CD2-CE3 4.03Å; V631-W635 HydrophobicContact CG1-CB 4.07Å; V631-W635 HydrophobicContact CG1-CG 4.12Å; H632-W635 WeakPolarHBondContact O-CB 3.35Å; H632-W635 PolarHBondContact O-N 3.36Å; H632-W635 VanDerWaalsContact O-N 3.13Å; W635-R646 HydrophobicContact CB-CB 4.27Å
636	N	66.1	Low	68.2	Low	107 Å²	107	63 Å²	63	57%	0.572	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-23	179.9	58.1	-17.5	0	0	0	113.8	E634	E634-N636 PolarHBondContact O-N 3.34Å
637	L	63	Low	68.8	Low	126 Å²	126	59.7 Å²	59.7	66%	0.66	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-9.8	-177.8	-70	165.6	0	0	0	113.2	E634	E634-L637 HydrophobicContact CB-CB 4.48Å; E634-L637 HydrophobicContact CB-CD1 4.28Å; E634-L637 HydrophobicContact CG-CD1 4.45Å; E634-L637 PolarHBondContact O-N 3.21Å
638	R	59.8	Low	69	Low	128 Å²	128	55.9 Å²	55.9	48%	0.483	30%	0.299	S	S	.	.			trans	-86.2	117.7	177.6	-75.7	-174.2	173.6	-113.6	0.9	111	H632 G640 A645	H632-R638 PolarHBondContact NE2-NH2 2.95Å; R638-G640 PolarHBondContact O-N 3.32Å; R638-A645 WeakPolarHBondContact CD-O 3.45Å
639	N	53.1	Low	68.9	Low	179 Å²	179	61.1 Å²	61.1	96%	0.957	32%	0.323	S	S	*	.			trans	-70.7	47.8	173.2	-79.6	-8	0	0	0	113.4
640	G	55.9	Low	68.6	Low	15 Å²	15	65.8 Å²	65.8	16%	0.155	34%	0.341	C	S	.	.			trans	-100	122.6	169.8	0	0	0	0	0	110.4	R638 A642 R646	R638-G640 PolarHBondContact O-N 3.32Å; G640-A642 PolarHBondContact O-N 3.24Å; G640-R646 PolarHBondContact O-NE 3.21Å; G640-R646 PolarHBondContact O-NH2 3.21Å
641	S	56.1	Low	67.4	Low	117 Å²	117	70.2 Å²	70.2	82%	0.818	37%	0.374	S	S	*	.	S	Bend	trans	-69.2	-16	169.6	51.8	0	0	0	0	112.8
642	A	62.4	Low	66.8	Low	28 Å²	28	77 Å²	77	23%	0.231	41%	0.405	C	S	.	.	S	Bend	trans	-106.3	140.5	-176.1	0	0	0	0	0	112.5	G640 Q644 A645	G640-A642 PolarHBondContact O-N 3.24Å; A642-Q644 PolarHBondContact O-N 2.77Å; A642-A645 PolarHBondContact O-N 3.19Å
643	L	71.2	Confident	66.2	Low	0 Å²	0	79.2 Å²	79.2	0%	0	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-54.7	-37.4	177.9	-179.7	73.6	0	0	0	112.2	V565 L577 W593 L597 T601 A645 R646 L647	V565-L643 HydrophobicContact CG2-CB 4.27Å; V565-L643 HydrophobicContact CG2-CD2 4Å; L577-L643 HydrophobicContact CD2-CD2 4.14Å; W593-L643 HydrophobicContact CH2-CD1 3.76Å; W593-L643 HydrophobicContact CH2-CD2 4.06Å; W593-L643 HydrophobicContact CH2-CG 4.46Å; W593-L643 HydrophobicContact CZ3-CD1 4.34Å; L597-L643 HydrophobicContact CB-CD1 4.04Å; L597-L643 HydrophobicContact CD2-CD1 4.06Å; T601-L643 HydrophobicContact CG2-CD2 4.33Å; T601-L643 WeakPolarHBondContact OG1-CD2 3.08Å; L643-A645 VanDerWaalsContact C-N 3.25Å; L643-A645 PolarHBondContact O-N 2.79Å; L643-R646 WeakPolarHBondContact O-CB 3.21Å; L643-R646 PolarHBondContact O-N 2.87Å; L643-L647 HydrophobicContact CD2-CD1 4.18Å; L643-L647 HydrophobicContact CG-CD1 3.97Å; L643-L647 HydrophobicContact CG-CG 4.43Å; L643-L647 WeakPolarHBondContact O-CG 3.5Å; L643-L647 PolarHBondContact O-N 2.94Å
644	Q	68.4	Low	66.2	Low	19 Å²	19	75.9 Å²	75.9	9%	0.089	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-62.9	-29.6	-176.9	-63	86.2	-12.8	0	0	113.3	G563 V579 A642 R646 L647	G563-Q644 PolarHBondContact O-NE2 2.81Å; V579-Q644 HydrophobicContact CG1-CB 4.49Å; V579-Q644 HydrophobicContact CG1-CG 3.52Å; A642-Q644 PolarHBondContact O-N 2.77Å; Q644-R646 PolarHBondContact O-N 2.87Å; Q644-L647 PolarHBondContact O-N 3.01Å
645	A	65.8	Low	66.2	Low	44 Å²	44	79.2 Å²	79.2	36%	0.364	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-72.3	-18.2	177.3	0	0	0	0	0	112.5	R638 A642 L643	R638-A645 WeakPolarHBondContact CD-O 3.45Å; A642-A645 PolarHBondContact O-N 3.19Å; L643-A645 VanDerWaalsContact C-N 3.25Å; L643-A645 PolarHBondContact O-N 2.79Å
646	R	74.3	Confident	66.3	Low	38 Å²	38	79 Å²	79	14%	0.143	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-98.5	-1.5	179	-55.6	-175.1	-174.3	-155.5	-3	112.8	L597 L600 H632 W635 G640 L643 Q644	L597-R646 HydrophobicContact CD2-CB 4.5Å; L600-R646 VanDerWaalsContact CD1-NH1 3.3Å; H632-R646 WeakPolarHBondContact CB-O 3.3Å; H632-R646 PolarHBondContact N-O 3.16Å; W635-R646 HydrophobicContact CB-CB 4.27Å; G640-R646 PolarHBondContact O-NE 3.21Å; G640-R646 PolarHBondContact O-NH2 3.21Å; L643-R646 WeakPolarHBondContact O-CB 3.21Å; L643-R646 PolarHBondContact O-N 2.87Å; Q644-R646 PolarHBondContact O-N 2.87Å
647	L	75.7	Confident	66.7	Low	7 Å²	7	82.9 Å²	82.9	4%	0.037	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.6	179.5	-67.4	175.1	0	0	0	111.3	V579 V588 W593 L629 H630 V631 L643 Q644	V579-L647 HydrophobicContact CG2-CD1 3.86Å; V588-L647 HydrophobicContact CG1-CD2 4.09Å; V588-L647 HydrophobicContact CG2-CD1 4.03Å; W593-L647 HydrophobicContact CZ3-CD2 4.29Å; L629-L647 HydrophobicContact CB-CB 4.31Å; L629-L647 HydrophobicContact CD1-CB 4.42Å; L629-L647 HydrophobicContact CD1-CD1 4.43Å; H630-L647 CarbonylContact O-C 3.57Å; H630-L647 WeakPolarHBondContact O-CA 3.27Å; V631-L647 HydrophobicContact CG2-CD2 4.2Å; L643-L647 HydrophobicContact CD2-CD1 4.18Å; L643-L647 HydrophobicContact CG-CD1 3.97Å; L643-L647 HydrophobicContact CG-CG 4.43Å; L643-L647 WeakPolarHBondContact O-CG 3.5Å; L643-L647 PolarHBondContact O-N 2.94Å; Q644-L647 PolarHBondContact O-N 3.01Å
648	E	76.5	Confident	67.3	Low	48 Å²	48	82.8 Å²	82.8	22%	0.224	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151	179.7	66	172.1	-178.1	0	0	113	L629 H630 H632 R650	L629-E648 WeakPolarHBondContact CA-O 3.15Å; H630-E648 PolarHBondContact N-O 3.09Å; H630-E648 PolarHBondContact O-N 3.38Å; H632-E648 HydrophobicContact CB-CG 4.36Å; H632-E648 IonicContact CD2-OE2 2.78Å; H632-E648 PolarHBondContact CD2-OE2 2.74Å; H632-E648 IonicContact NE2-OE2 3.6Å; E648-R650 HydrophobicContact CG-CG 4.33Å; E648-R650 IonicContact OE1-CZ 3.69Å; E648-R650 IonicContact OE1-NE 3.69Å; E648-R650 PolarHBondContact OE1-NE 3.23Å; E648-R650 IonicContact OE1-NH2 2.77Å; E648-R650 PolarHBondContact OE1-NH2 3.05Å
649	K	70.1	Confident	68.3	Low	140 Å²	140	78.7 Å²	78.7	61%	0.609	41%	0.41	S	S	*	.			trans	-88.5	113.1	174.4	-177.5	-179.6	177.9	177.4	0	108.5	Y586 L629	Y586-K649 HydrophobicContact CE1-CD 4.09Å; Y586-K649 HydrophobicContact CE1-CG 4.41Å; L629-K649 HydrophobicContact CD2-CB 4.17Å
650	R	70.4	Confident	69.5	Low	99 Å²	99	70.2 Å²	70.2	37%	0.374	36%	0.364	S	S	.	.			trans	-100.5	150.5	167.7	-64.9	-174.3	176.9	178.6	3	110.3	H630 P633 E648 H652	H630-R650 HydrophobicContact CB-CG 4.39Å; P633-R650 VanDerWaalsContact CD-NH2 3.33Å; E648-R650 HydrophobicContact CG-CG 4.33Å; E648-R650 IonicContact OE1-CZ 3.69Å; E648-R650 IonicContact OE1-NE 3.69Å; E648-R650 PolarHBondContact OE1-NE 3.23Å; E648-R650 IonicContact OE1-NH2 2.77Å; E648-R650 PolarHBondContact OE1-NH2 3.05Å; R650-H652 PolarHBondContact O-N 2.03Å
651	S	56.3	Low	70.5	Confident	114 Å²	114	69.5 Å²	69.5	80%	0.797	36%	0.357	S	S	*	.	S	Bend	trans	-69.9	-19.8	179.5	49.3	0	0	0	0	113.6
652	H	65.7	Low	71.2	Confident	146 Å²	146	64.1 Å²	64.1	68%	0.676	32%	0.319	S	S	*	.	S	Bend	trans	-89.8	140.8	-178.6	-58.9	-75.1	0	0	0	112.1	H630 R650	H630-H652 PolarHBondContact NE2-O 3.05Å; R650-H652 PolarHBondContact O-N 2.03Å
653	A	66.1	Low	71.4	Confident	75 Å²	75	69.1 Å²	69.1	62%	0.62	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-63.3	150.5	171.7	0	0	0	0	0	110.9	H655	A653-H655 PolarHBondContact O-N 3.45Å
654	C	71.1	Confident	71	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.034	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-52.7	126.2	176.2	-171.7	0	0	0	0	111	C589 W628 R657	C589-C654 VanDerWaalsContact CA-SG 3.55Å; C589-C654 HydrophobicContact CB-CB 3.78Å; C589-C654 WeakPolarHBondContact CB-SG 3.47Å; C589-C654 VanDerWaalsContact SG-CA 3.54Å; C589-C654 WeakPolarHBondContact SG-CB 3.12Å; C589-C654 CovalentContact SG-SG 2.04Å; C589-C654 PolarHBondContact SG-SG 2.74Å; W628-C654 HydrophobicContact CD2-CB 3.64Å; W628-C654 HydrophobicContact CE3-CB 3.4Å; W628-C654 HydrophobicContact CG-CB 4.35Å; W628-C654 HydrophobicContact CH2-CB 3.92Å; W628-C654 HydrophobicContact CZ2-CB 4.14Å; W628-C654 HydrophobicContact CZ3-CB 3.54Å; C654-R657 PolarHBondContact O-N 3.39Å
655	H	73.4	Confident	70.6	Confident	181 Å²	181	72.1 Å²	72.1	84%	0.838	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-40.4	-171.1	-177.1	76.9	0	0	0	110.8	D591 A653 R657	D591-H655 WeakPolarHBondContact OD2-CB 3.46Å; D591-H655 PolarHBondContact OD2-N 3.06Å; A653-H655 PolarHBondContact O-N 3.45Å; H655-R657 VanDerWaalsContact C-N 3.33Å; H655-R657 PolarHBondContact O-N 3.25Å
656	S	70.4	Confident	70.2	Confident	43 Å²	43	75.7 Å²	75.7	30%	0.301	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14	177.9	61.9	0	0	0	0	114.8	D591 R658	D591-S656 WeakPolarHBondContact OD1-CB 3.32Å; D591-S656 PolarHBondContact OD1-OG 2.95Å; D591-S656 PolarHBondContact OD2-N 3.36Å; S656-R658 PolarHBondContact O-N 2.93Å; S656-R658 VanDerWaalsContact O-N 3.09Å; S656-R658 PolarHBondContact OG-N 3.44Å
657	R	74.1	Confident	69.3	Low	188 Å²	188	75.5 Å²	75.5	71%	0.709	37%	0.366	S	S	*	.			trans	48.1	29.3	-166.7	-59.2	-175.1	179.5	-179.9	0.2	113.2	D618 C654 H655	D618-R657 VanDerWaalsContact CB-O 3.28Å; D618-R657 WeakPolarHBondContact CB-O 2.88Å; D618-R657 PolarHBondContact N-O 3.11Å; C654-R657 PolarHBondContact O-N 3.39Å; H655-R657 VanDerWaalsContact C-N 3.33Å; H655-R657 PolarHBondContact O-N 3.25Å
658	R	76.6	Confident	68.8	Low	125 Å²	125	80.9 Å²	80.9	47%	0.472	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.9	176.3	-69.5	176.6	-177.1	-168.7	-0.5	109.5	A590 M615 V616 S656	A590-R658 HydrophobicContact CB-CB 3.86Å; A590-R658 WeakPolarHBondContact CB-O 2.95Å; A590-R658 PolarHBondContact N-O 2.89Å; A590-R658 VanDerWaalsContact N-O 3.09Å; M615-R658 HydrophobicContact CB-CB 4.42Å; V616-R658 WeakPolarHBondContact O-CA 3.48Å; S656-R658 PolarHBondContact O-N 2.93Å; S656-R658 VanDerWaalsContact O-N 3.09Å; S656-R658 PolarHBondContact OG-N 3.44Å
659	R	79.9	Confident	68.6	Low	41 Å²	41	79.6 Å²	79.6	16%	0.155	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.2	175.9	63.9	-168	179.7	166.6	-1.3	110.4	V576 V616	V576-R659 HydrophobicContact CG1-CG 4.07Å; V616-R659 HydrophobicContact CB-CG 4.08Å; V616-R659 PolarHBondContact N-O 2.88Å; V616-R659 PolarHBondContact O-N 3.3Å
660	V	79.9	Confident	68.6	Low	1 Å²	1	74.4 Å²	74.4	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.1	178.8	-174.2	0	0	0	0	109.8	L577 V588 A590 W593 V613 V662	L577-V660 WeakPolarHBondContact CB-O 3.45Å; L577-V660 PolarHBondContact N-O 3.26Å; V588-V660 HydrophobicContact CG1-CG2 4.33Å; V588-V660 PolarHBondContact O-N 2.98Å; A590-V660 HydrophobicContact CB-CG2 4.01Å; W593-V660 HydrophobicContact CB-CG2 4.23Å; W593-V660 HydrophobicContact CD2-CB 4.47Å; W593-V660 HydrophobicContact CD2-CG1 4.06Å; W593-V660 HydrophobicContact CD2-CG2 3.74Å; W593-V660 HydrophobicContact CE3-CG2 3.99Å; W593-V660 HydrophobicContact CG-CG1 4.25Å; W593-V660 HydrophobicContact CG-CG2 3.84Å; W593-V660 HydrophobicContact CZ2-CG1 4.05Å; V613-V660 HydrophobicContact CG1-CG1 4.23Å; V660-V662 HydrophobicContact CG1-CG2 3.73Å
661	S	75.9	Confident	68.7	Low	1 Å²	1	73.5 Å²	73.5	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.5	167.8	169.7	0	0	0	0	108.5	S575 V613 S614	S575-S661 WeakPolarHBondContact O-CA 3.08Å; S575-S661 WeakPolarHBondContact O-CB 3.08Å; S575-S661 PolarHBondContact O-OG 3.01Å; V613-S661 CarbonylContact C-O 3.6Å; V613-S661 WeakPolarHBondContact CA-O 3.48Å; S614-S661 PolarHBondContact N-O 3.25Å; S614-S661 WeakPolarHBondContact O-CA 3.43Å; S614-S661 WeakPolarHBondContact O-CB 3.2Å; S614-S661 PolarHBondContact O-N 2.73Å; S614-S661 WeakPolarHBondContact OG-CB 3.38Å; S614-S661 PolarHBondContact OG-OG 3.23Å
662	V	71.9	Confident	69.5	Low	3 Å²	3	71 Å²	71	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.1	176	-174.4	0	0	0	0	108	S575 W593 P610 V660	S575-V662 PolarHBondContact O-N 2.9Å; W593-V662 HydrophobicContact CZ2-CG2 4.48Å; P610-V662 HydrophobicContact CB-CG1 4.35Å; V660-V662 HydrophobicContact CG1-CG2 3.73Å
663	R	64.7	Low	69.3	Low	133 Å²	133	67.4 Å²	67.4	50%	0.502	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.4	163.5	-65.6	-173.9	175.1	177.2	-0.9	107.7	S611 S612	S611-R663 PolarHBondContact N-O 3.42Å; S611-R663 PolarHBondContact OG-O 3.32Å; S612-R663 PolarHBondContact N-O 3.2Å; S612-R663 PolarHBondContact O-N 3.39Å; S612-R663 WeakPolarHBondContact OG-CB 3.37Å; S612-R663 WeakPolarHBondContact OG-CD 3.43Å
664	C	64.5	Low	68.9	Low	26 Å²	26	66 Å²	66	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.8	171.4	-53.6	0	0	0	0	107.8	C602 L607 A609 R666	C602-C664 WeakPolarHBondContact CA-SG 3.13Å; C602-C664 HydrophobicContact CB-CB 3.71Å; C602-C664 WeakPolarHBondContact CB-SG 3.4Å; C602-C664 VanDerWaalsContact SG-CA 3.56Å; C602-C664 WeakPolarHBondContact SG-CB 2.99Å; C602-C664 CovalentContact SG-SG 2.04Å; C602-C664 PolarHBondContact SG-SG 3.46Å; L607-C664 HydrophobicContact CB-CB 3.5Å; L607-C664 VanDerWaalsContact CB-CB 3.5Å; L607-C664 HydrophobicContact CD1-CB 4.23Å; A609-C664 WeakPolarHBondContact O-CA 3.21Å; C664-R666 PolarHBondContact O-N 3.28Å
665	S	60.1	Low	68.1	Low	56 Å²	56	69 Å²	69	39%	0.392	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109	166	42.6	0	0	0	0	107.2	L607 A609 S611 A667	L607-S665 CarbonylContact O-C 3.57Å; L607-S665 VanDerWaalsContact O-C 3.23Å; A609-S665 PolarHBondContact O-N 3.36Å; A609-S665 PolarHBondContact O-OG 2.9Å; A609-S665 VanDerWaalsContact O-OG 3.11Å; S611-S665 PolarHBondContact OG-N 3.17Å; S665-A667 PolarHBondContact O-N 2.76Å
666	R	55.8	Low	66.9	Low	119 Å²	119	71.1 Å²	71.1	45%	0.449	34%	0.342	S	S	.	.			trans	-44	127.2	169.6	-165.8	174.1	-172.5	169.1	3.3	107.2	L607 C664 E668 C669	L607-R666 WeakPolarHBondContact O-CA 2.98Å; L607-R666 PolarHBondContact O-N 3.09Å; C664-R666 PolarHBondContact O-N 3.28Å; R666-E668 PolarHBondContact O-N 2.92Å; R666-C669 VanDerWaalsContact CD-SG 3.59Å; R666-C669 VanDerWaalsContact CZ-SG 3.59Å; R666-C669 PolarHBondContact NE-SG 2.79Å
667	A	56.7	Low	65.2	Low	35 Å²	35	75.3 Å²	75.3	29%	0.289	37%	0.368	S	S	.	.			trans	-45.5	120.6	166.4	0	0	0	0	0	106.5	S665 C669	S665-A667 PolarHBondContact O-N 2.76Å; A667-C669 PolarHBondContact O-N 3.22Å
668	E	65.3	Low	63.4	Low	120 Å²	120	74.3 Å²	74.3	56%	0.561	37%	0.371	S	S	*	.			trans	-51.6	103.9	-168.7	-72.7	178.5	173.5	0	0	110.6	R666 L671 R790	R666-E668 PolarHBondContact O-N 2.92Å; E668-L671 HydrophobicContact CB-CD1 3.82Å; E668-L671 HydrophobicContact CG-CD1 4.14Å; E668-L671 WeakPolarHBondContact OE2-CD1 3.03Å; E668-R790 PolarHBondContact O-NH2 2.9Å; E668-R790 IonicContact OE2-CZ 3.16Å; E668-R790 IonicContact OE2-NH1 3.95Å; E668-R790 IonicContact OE2-NH2 3.39Å; E668-R790 PolarHBondContact OE2-NH2 3.4Å
669	C	71.7	Confident	61.6	Low	20 Å²	20	75.7 Å²	75.7	14%	0.135	38%	0.377	C	S	.	.			trans	-101.7	157	-179.2	65.6	0	0	0	0	110.9	R666 A667 L671 P791 C793	R666-C669 VanDerWaalsContact CD-SG 3.59Å; R666-C669 VanDerWaalsContact CZ-SG 3.59Å; R666-C669 PolarHBondContact NE-SG 2.79Å; A667-C669 PolarHBondContact O-N 3.22Å; C669-L671 PolarHBondContact O-N 2.74Å; C669-P791 CarbonylContact C-O 3.56Å; C669-P791 VanDerWaalsContact CA-O 3.27Å; C669-P791 WeakPolarHBondContact CA-O 3.49Å; C669-P791 HydrophobicContact CB-CG 4.37Å; C669-P791 WeakPolarHBondContact CB-O 3.27Å; C669-C793 HydrophobicContact CB-CB 4.2Å; C669-C793 WeakPolarHBondContact CB-SG 3.1Å; C669-C793 PolarHBondContact O-SG 3.19Å; C669-C793 VanDerWaalsContact SG-CA 3.51Å; C669-C793 WeakPolarHBondContact SG-CB 3.4Å; C669-C793 CovalentContact SG-SG 2.06Å; C669-C793 PolarHBondContact SG-SG 2.9Å
670	G	69.9	Low	59.6	Low	32 Å²	32	81.5 Å²	81.5	33%	0.33	40%	0.403	S	S	.	.	S	Bend	trans	71.9	6.5	173.2	0	0	0	0	0	115.5	P791	G670-P791 PolarHBondContact N-O 2.86Å
671	L	73.1	Confident	57.3	Low	80 Å²	80	88.3 Å²	88.3	42%	0.419	43%	0.433	S	S	.	.			trans	-86.4	144.6	176.8	-62.4	-174.8	0	0	0	111.7	E668 C669 P673	E668-L671 HydrophobicContact CB-CD1 3.82Å; E668-L671 HydrophobicContact CG-CD1 4.14Å; E668-L671 WeakPolarHBondContact OE2-CD1 3.03Å; C669-L671 PolarHBondContact O-N 2.74Å; L671-P673 VanDerWaalsContact C-CD 3.45Å; L671-P673 WeakPolarHBondContact O-CD 3.46Å
672	R	73.4	Confident	55	Low	62 Å²	62	90 Å²	90	23%	0.234	44%	0.439	C	S	.	.			trans	-120.4	72.5	177.6	-60	178.4	-165.9	-157.1	13.2	110.9	A674 L675 A693 W694 W696	R672-A674 PolarHBondContact O-N 2Å; R672-L675 HydrophobicContact CB-CB 4.28Å; R672-L675 HydrophobicContact CB-CD1 4.05Å; R672-L675 HydrophobicContact CG-CD1 4.48Å; R672-L675 PolarHBondContact O-N 3.13Å; R672-L675 VanDerWaalsContact O-N 3.08Å; R672-A693 VanDerWaalsContact CD-O 3.22Å; R672-A693 WeakPolarHBondContact CD-O 3.29Å; R672-A693 PolarHBondContact NE-O 3.48Å; R672-A693 PolarHBondContact NH1-O 3.44Å; R672-A693 VanDerWaalsContact NH1-O 3.07Å; R672-W694 VanDerWaalsContact NH1-CZ2 3.27Å; R672-W696 HydrophobicContact CG-CH2 3.98Å; R672-W696 HydrophobicContact CG-CZ3 4.25Å
673	P	59.8	Low	53.4	Low	69 Å²	69	92.6 Å²	92.6	45%	0.448	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22	-174.8	26.4	-36.1	0	0	0	114.2	L671 L675 A787	L671-P673 VanDerWaalsContact C-CD 3.45Å; L671-P673 WeakPolarHBondContact O-CD 3.46Å; P673-L675 PolarHBondContact O-N 3.29Å; P673-A787 HydrophobicContact CG-CB 4.26Å
674	A	57.9	Low	51.8	Low	46 Å²	46	91.6 Å²	91.6	38%	0.38	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.1	174	0	0	0	0	0	113.7	R672 A787	R672-A674 PolarHBondContact O-N 2Å; A674-A787 HydrophobicContact CB-CB 4.43Å
675	L	55.9	Low	50.6	Low	69 Å²	69	92.9 Å²	92.9	36%	0.361	47%	0.474	S	S	.	.	S	Bend	trans	-100.7	118.3	176.7	-88.2	150.1	0	0	0	110	R672 P673 A693	R672-L675 HydrophobicContact CB-CB 4.28Å; R672-L675 HydrophobicContact CB-CD1 4.05Å; R672-L675 HydrophobicContact CG-CD1 4.48Å; R672-L675 PolarHBondContact O-N 3.13Å; R672-L675 VanDerWaalsContact O-N 3.08Å; P673-L675 PolarHBondContact O-N 3.29Å; L675-A693 HydrophobicContact CD1-CB 4Å
676	R	46.2	Very low	50.1	Low	225 Å²	225	92.7 Å²	92.7	85%	0.849	48%	0.481	S	S	*	.			trans	-64.4	153.2	168.3	-71.3	-172.3	-179.8	-171.6	1.4	110.4	H678	R676-H678 PolarHBondContact O-N 3.12Å
677	P	34.8	Very low	50	Low	130 Å²	130	91.8 Å²	91.8	84%	0.844	48%	0.478	S	S	*	.	S	Bend	trans	-72.5	2.8	-160.9	-16.3	30.5	0	0	0	117.2
678	H	37.6	Very low	49.9	Very low	167 Å²	167	95.6 Å²	95.6	77%	0.773	50%	0.497	S	S	*	.	S	Bend	trans	-117.8	137.8	178.1	-77.1	-74.4	0	0	0	109.4	R676	R676-H678 PolarHBondContact O-N 3.12Å
679	R	38.8	Very low	49.8	Very low	154 Å²	154	92.2 Å²	92.2	58%	0.581	49%	0.486	S	S	*	.			trans	99.4	86.5	179	-52.3	177.3	174.8	-148	-1.3	113.4	V195	V195-R679 HydrophobicContact CB-CG 4.39Å; V195-R679 HydrophobicContact CG1-CB 4.22Å; V195-R679 HydrophobicContact CG1-CG 3.57Å; V195-R679 HydrophobicContact CG2-CG 3.95Å; V195-R679 PolarHBondContact O-NH1 2.95Å
680	K	36.9	Very low	49.5	Very low	164 Å²	164	98.7 Å²	98.7	71%	0.713	51%	0.508	S	S	*	.			trans	-117.9	122.7	152.5	-83.1	-175.3	179.2	179.7	0	107.7
681	K	32.2	Very low	49.2	Very low	143 Å²	143	105.7 Å²	105.7	62%	0.622	52%	0.524	S	S	*	.			trans	-172.2	170.5	140.2	-100.9	-179.6	-177.3	-167.3	0	110.7	Y165	Y165-K681 HydrophobicContact CE2-CD 4.46Å
682	R	28.2	Very low	49	Very low	37 Å²	37	102.3 Å²	102.3	14%	0.14	51%	0.508	C	S	.	.			trans	-57.9	158.6	-145	-169.4	-155	-152.8	-128.1	-174.2	120.4	Y165 N166 D167 L684	Y165-R682 VanDerWaalsContact C-CZ 3.47Å; Y165-R682 VanDerWaalsContact CB-NH1 3.27Å; Y165-R682 HydrophobicContact CD1-CB 4.16Å; Y165-R682 HydrophobicContact CD1-CG 3.51Å; Y165-R682 HydrophobicContact CE1-CB 3.64Å; Y165-R682 HydrophobicContact CE1-CG 3.39Å; Y165-R682 HydrophobicContact CE2-CB 4.41Å; Y165-R682 VanDerWaalsContact CG-CD 3.43Å; Y165-R682 HydrophobicContact CG-CG 4.16Å; N166-R682 VanDerWaalsContact C-NH1 3.34Å; N166-R682 PolarHBondContact O-NH1 3.44Å; N166-R682 PolarHBondContact O-NH2 3.31Å; D167-R682 IonicContact OD1-NH1 2.96Å; D167-R682 PolarHBondContact OD1-NH1 2.81Å; D167-R682 VanDerWaalsContact OD1-NH1 3.11Å; R682-L684 VanDerWaalsContact NH2-CD1 3.33Å
683	I	37.4	Very low	49	Very low	58 Å²	58	99.8 Å²	99.8	30%	0.297	50%	0.501	S	S	.	.			trans	-135.9	135.6	152.4	-69.8	-75.6	0	0	0	110.9	R687	I683-R687 VanDerWaalsContact CD1-CD 3.43Å; I683-R687 HydrophobicContact CD1-CG 3.9Å; I683-R687 VanDerWaalsContact CD1-NH1 3.32Å; I683-R687 HydrophobicContact CG1-CG 3.79Å; I683-R687 VanDerWaalsContact CG1-NH2 3.26Å; I683-R687 HydrophobicContact CG2-CG 4.18Å
684	L	30.5	Very low	50.2	Low	111 Å²	111	99 Å²	99	58%	0.581	49%	0.489	S	S	*	.	S	Bend	trans	-127.1	138.6	154.1	-75.6	-174.1	0	0	0	108.5	R682	R682-L684 VanDerWaalsContact NH2-CD1 3.33Å
685	G	39.8	Very low	51.6	Low	53 Å²	53	96.9 Å²	96.9	55%	0.546	47%	0.471	S	S	.	.	S	Bend	trans	91.3	59.6	-163.1	0	0	0	0	0	111
686	G	50.6	Low	53.2	Low	53 Å²	53	94.8 Å²	94.8	55%	0.546	46%	0.459	S	S	.	.			trans	-32.1	128.7	-161	0	0	0	0	0	116.3
687	R	53.2	Low	55.4	Low	100 Å²	100	85.1 Å²	85.1	38%	0.377	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-102.8	156.1	170.5	67.7	178	169.7	-151.5	-12.6	110.4	D203 I683 S689	D203-R687 IonicContact OD1-NH1 3.66Å; I683-R687 VanDerWaalsContact CD1-CD 3.43Å; I683-R687 HydrophobicContact CD1-CG 3.9Å; I683-R687 VanDerWaalsContact CD1-NH1 3.32Å; I683-R687 HydrophobicContact CG1-CG 3.79Å; I683-R687 VanDerWaalsContact CG1-NH2 3.26Å; I683-R687 HydrophobicContact CG2-CG 4.18Å; R687-S689 PolarHBondContact O-N 3.47Å
688	V	55	Low	58.1	Low	115 Å²	115	79 Å²	79	70%	0.697	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-54	124	172.8	-179.2	0	0	0	0	109.3
689	S	63.1	Low	60.6	Low	48 Å²	48	71 Å²	71	34%	0.336	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-73.4	143.4	-179.2	175.9	0	0	0	0	110.9	R687 W694 T742	R687-S689 PolarHBondContact O-N 3.47Å; S689-W694 PolarHBondContact OG-NE1 3.38Å; S689-T742 WeakPolarHBondContact O-CG2 3.39Å
690	R	64.1	Low	63	Low	157 Å²	157	63.7 Å²	63.7	59%	0.592	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-62	143.9	171.1	-63	-176.8	-176.7	176.3	1.3	111.1	G692 A693	R690-G692 PolarHBondContact O-N 3.42Å; R690-A693 HydrophobicContact CB-CB 4.48Å; R690-A693 VanDerWaalsContact O-CB 3.25Å; R690-A693 WeakPolarHBondContact O-CB 3.36Å; R690-A693 PolarHBondContact O-N 2.62Å; R690-A693 VanDerWaalsContact O-N 3.16Å
691	R	64.8	Low	65.4	Low	179 Å²	179	57 Å²	57	68%	0.675	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	128.8	176.3	-63.8	-174.2	-179.6	178.7	2.3	110.2	A693 T742	R691-A693 VanDerWaalsContact C-N 3.29Å; R691-A693 PolarHBondContact O-N 3.1Å; R691-T742 HydrophobicContact CG-CG2 4.08Å; R691-T742 WeakPolarHBondContact CG-OG1 3.26Å
692	G	67.7	Low	67.7	Low	8 Å²	8	50.9 Å²	50.9	8%	0.082	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	5	178	0	0	0	0	0	115.8	R690 W694	R690-G692 PolarHBondContact O-N 3.42Å; G692-W694 VanDerWaalsContact C-N 3.27Å; G692-W694 PolarHBondContact O-N 3.15Å
693	A	73.8	Confident	69.4	Low	9 Å²	9	51.7 Å²	51.7	7%	0.074	29%	0.285	C	S	.	.	S	Bend	trans	-68.3	-26.6	175.3	0	0	0	0	0	113.4	R672 L675 R690 R691	R672-A693 VanDerWaalsContact CD-O 3.22Å; R672-A693 WeakPolarHBondContact CD-O 3.29Å; R672-A693 PolarHBondContact NE-O 3.48Å; R672-A693 PolarHBondContact NH1-O 3.44Å; R672-A693 VanDerWaalsContact NH1-O 3.07Å; L675-A693 HydrophobicContact CD1-CB 4Å; R690-A693 HydrophobicContact CB-CB 4.48Å; R690-A693 VanDerWaalsContact O-CB 3.25Å; R690-A693 WeakPolarHBondContact O-CB 3.36Å; R690-A693 PolarHBondContact O-N 2.62Å; R690-A693 VanDerWaalsContact O-N 3.16Å; R691-A693 VanDerWaalsContact C-N 3.29Å; R691-A693 PolarHBondContact O-N 3.1Å
694	W	85.8	Confident	70.1	Confident	54 Å²	54	55.8 Å²	55.8	21%	0.205	30%	0.303	C	S	.	.	S	Bend	trans	-135.1	72.9	-177.4	-54.4	103.2	0	0	0	111	R672 S689 G692 W696 Q697 Y808 T810	R672-W694 VanDerWaalsContact NH1-CZ2 3.27Å; S689-W694 PolarHBondContact OG-NE1 3.38Å; G692-W694 VanDerWaalsContact C-N 3.27Å; G692-W694 PolarHBondContact O-N 3.15Å; W694-W696 AromaticContact CE3-CZ2 3.68Å; W694-W696 HydrophobicContact CE3-CZ2 3.68Å; W694-W696 AromaticContact CE3-NE1 3.88Å; W694-W696 HydrophobicContact CZ3-CZ2 4.05Å; W694-W696 PolarHBondContact O-N 2.88Å; W694-W696 VanDerWaalsContact O-N 3.12Å; W694-Q697 HydrophobicContact CB-CB 4.27Å; W694-Q697 WeakPolarHBondContact O-CB 3.09Å; W694-Q697 PolarHBondContact O-N 3.25Å; W694-Q697 VanDerWaalsContact O-N 3.12Å; W694-Y808 AromaticContact CH2-CD1 3.91Å; W694-Y808 HydrophobicContact CH2-CD1 3.91Å; W694-Y808 AromaticContact CH2-CD2 3.68Å; W694-Y808 HydrophobicContact CH2-CD2 3.68Å; W694-Y808 HydrophobicContact CH2-CE2 4.42Å; W694-Y808 AromaticContact CH2-CG 3.36Å; W694-Y808 HydrophobicContact CH2-CG 3.36Å; W694-Y808 HydrophobicContact CZ2-CD1 4.07Å; W694-Y808 AromaticContact CZ2-CG 3.98Å; W694-Y808 HydrophobicContact CZ2-CG 3.98Å; W694-Y808 HydrophobicContact CZ3-CD2 4.45Å; W694-Y808 HydrophobicContact CZ3-CG 4.3Å; W694-T810 HydrophobicContact CB-CG2 4.5Å; W694-T810 HydrophobicContact CD2-CG2 3.76Å; W694-T810 HydrophobicContact CE3-CG2 4.38Å; W694-T810 HydrophobicContact CG-CG2 3.75Å; W694-T810 HydrophobicContact CZ2-CG2 4.47Å
695	P	86.9	Confident	71.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-10	-168.2	29.5	-36.6	0	0	0	114.7	H788 V789 R790	P695-H788 WeakPolarHBondContact CA-O 3.32Å; P695-H788 VanDerWaalsContact CB-C 3.48Å; P695-H788 WeakPolarHBondContact CB-O 3.3Å; P695-V789 VanDerWaalsContact O-CA 3.31Å; P695-V789 WeakPolarHBondContact O-CA 3.28Å; P695-R790 CarbonylContact C-O 3.23Å; P695-R790 HydrophobicContact CB-CB 4.09Å; P695-R790 HydrophobicContact CB-CG 4.36Å; P695-R790 HydrophobicContact CG-CB 4.14Å; P695-R790 PolarHBondContact O-N 2.96Å
696	W	90.4	Very high	72.9	Confident	25 Å²	25	51.8 Å²	51.8	10%	0.095	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.6	175.5	43.7	77.6	0	0	0	113.4	R672 W694 C698 V712 L713 R790 V792	R672-W696 HydrophobicContact CG-CH2 3.98Å; R672-W696 HydrophobicContact CG-CZ3 4.25Å; W694-W696 AromaticContact CE3-CZ2 3.68Å; W694-W696 HydrophobicContact CE3-CZ2 3.68Å; W694-W696 AromaticContact CE3-NE1 3.88Å; W694-W696 HydrophobicContact CZ3-CZ2 4.05Å; W694-W696 PolarHBondContact O-N 2.88Å; W694-W696 VanDerWaalsContact O-N 3.12Å; W696-C698 PolarHBondContact O-N 2.67Å; W696-V712 HydrophobicContact CB-CG1 4.13Å; W696-V712 HydrophobicContact CG-CG1 4.38Å; W696-V712 WeakPolarHBondContact O-CA 3.03Å; W696-L713 PolarHBondContact O-N 2.8Å; W696-R790 WeakPolarHBondContact CA-O 2.98Å; W696-R790 VanDerWaalsContact CB-O 3.25Å; W696-R790 WeakPolarHBondContact CB-O 3.42Å; W696-R790 PolarHBondContact N-O 3.43Å; W696-V792 HydrophobicContact CB-CB 3.83Å; W696-V792 HydrophobicContact CD2-CB 3.89Å; W696-V792 HydrophobicContact CD2-CG2 3.92Å; W696-V792 HydrophobicContact CE3-CB 4.26Å; W696-V792 HydrophobicContact CE3-CG2 4.33Å; W696-V792 HydrophobicContact CG-CB 3.71Å; W696-V792 HydrophobicContact CG-CG2 4.11Å
697	Q	91.2	Very high	74.3	Confident	22 Å²	22	51.6 Å²	51.6	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129	178.5	-176.7	67.7	44.9	0	0	109.2	W694 T810 W812	W694-Q697 HydrophobicContact CB-CB 4.27Å; W694-Q697 WeakPolarHBondContact O-CB 3.09Å; W694-Q697 PolarHBondContact O-N 3.25Å; W694-Q697 VanDerWaalsContact O-N 3.12Å; Q697-T810 PolarHBondContact OE1-O 2.03Å; Q697-T810 PolarHBondContact OE1-OG1 3.27Å; Q697-W812 HydrophobicContact CG-CH2 3.49Å; Q697-W812 VanDerWaalsContact CG-CH2 3.49Å; Q697-W812 HydrophobicContact CG-CZ2 4.37Å; Q697-W812 HydrophobicContact CG-CZ3 3.59Å
698	C	91.6	Very high	75.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.1	172.6	60.6	0	0	0	0	111.8	W696 C711 V737 V738 L739	W696-C698 PolarHBondContact O-N 2.67Å; C698-C711 HydrophobicContact CB-CB 4.47Å; C698-C711 WeakPolarHBondContact CB-SG 3.42Å; C698-C711 PolarHBondContact N-O 3.12Å; C698-C711 PolarHBondContact O-N 3.08Å; C698-C711 PolarHBondContact O-SG 3.22Å; C698-C711 VanDerWaalsContact SG-CA 3.57Å; C698-C711 WeakPolarHBondContact SG-CB 3.14Å; C698-C711 PolarHBondContact SG-O 3.15Å; C698-C711 CovalentContact SG-SG 2.03Å; C698-C711 PolarHBondContact SG-SG 2.04Å; C698-V737 HydrophobicContact CB-CG1 3.87Å; C698-V738 WeakPolarHBondContact CA-O 3.48Å; C698-V738 WeakPolarHBondContact CB-O 3.09Å; C698-L739 HydrophobicContact CB-CD2 3.61Å; C698-L739 HydrophobicContact CB-CG 3.77Å
699	S	89.9	Confident	77.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.5	175.3	167.5	0	0	0	0	108.2	Q701 H707 V738	S699-Q701 WeakPolarHBondContact OG-CG 3.36Å; S699-Q701 PolarHBondContact OG-NE2 2.88Å; S699-H707 PolarHBondContact OG-ND1 3.39Å; S699-V738 PolarHBondContact N-O 2.03Å; S699-V738 PolarHBondContact O-N 3.02Å
700	L	90.5	Very high	78.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.9	167.7	-173.5	70.5	0	0	0	107.9	V708 C709 C725 F726 W735 V737	L700-V708 PolarHBondContact O-N 2.85Å; L700-C709 HydrophobicContact CB-CB 4.29Å; L700-C709 WeakPolarHBondContact CB-O 3.46Å; L700-C709 HydrophobicContact CD2-CB 4.25Å; L700-C709 PolarHBondContact N-O 3.46Å; L700-C709 PolarHBondContact O-N 2.81Å; L700-C725 HydrophobicContact CD2-CB 4.33Å; L700-F726 HydrophobicContact CD1-CE1 4.47Å; L700-F726 HydrophobicContact CD1-CZ 4.36Å; L700-F726 HydrophobicContact CD2-CE1 3.62Å; L700-F726 HydrophobicContact CD2-CE2 4.43Å; L700-F726 HydrophobicContact CD2-CZ 3.49Å; L700-F726 VanDerWaalsContact CD2-CZ 3.49Å; L700-W735 HydrophobicContact CD1-CB 4.45Å; L700-W735 HydrophobicContact CD1-CD2 4.48Å; L700-W735 HydrophobicContact CD1-CE3 3.9Å; L700-W735 HydrophobicContact CD2-CE3 3.8Å; L700-W735 HydrophobicContact CD2-CH2 4.25Å; L700-W735 HydrophobicContact CD2-CZ3 3.65Å; L700-W735 HydrophobicContact CG-CD2 4.47Å; L700-W735 HydrophobicContact CG-CE3 3.54Å; L700-W735 HydrophobicContact CG-CZ3 3.69Å; L700-V737 HydrophobicContact CD1-CG2 3.82Å
701	Q	87.3	Confident	79.9	Confident	23 Å²	23	36.9 Å²	36.9	11%	0.107	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.2	-178.5	-58.4	-174.4	-4.1	0	0	110	S699 G706 K736 V738	S699-Q701 WeakPolarHBondContact OG-CG 3.36Å; S699-Q701 PolarHBondContact OG-NE2 2.88Å; Q701-G706 WeakPolarHBondContact CA-O 3.28Å; Q701-G706 VanDerWaalsContact CB-O 3.26Å; Q701-G706 WeakPolarHBondContact CB-O 3.45Å; Q701-K736 HydrophobicContact CB-CD 4.39Å; Q701-K736 HydrophobicContact CB-CG 3.8Å; Q701-K736 PolarHBondContact N-O 3.44Å; Q701-K736 PolarHBondContact O-N 3.24Å; Q701-K736 VanDerWaalsContact O-O 3.06Å; Q701-V738 HydrophobicContact CG-CG2 4.11Å
702	S	79.9	Confident	81.3	Confident	16 Å²	16	30.5 Å²	30.5	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.3	170.8	150.4	0	0	0	0	108.4	Q704 S705 G706 L734	S702-Q704 PolarHBondContact O-N 3.33Å; S702-S705 VanDerWaalsContact CB-OG 3.22Å; S702-S705 WeakPolarHBondContact CB-OG 3.44Å; S702-S705 PolarHBondContact O-N 3.49Å; S702-S705 VanDerWaalsContact O-N 3.08Å; S702-S705 PolarHBondContact OG-OG 3.49Å; S702-S705 VanDerWaalsContact OG-OG 3.09Å; S702-G706 PolarHBondContact N-O 2.87Å; S702-L734 WeakPolarHBondContact CA-O 3.4Å
703	G	63.6	Low	82.4	Confident	53 Å²	53	30.2 Å²	30.2	55%	0.546	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-31.5	-162.7	0	0	0	0	0	117.1	L734	G703-L734 PolarHBondContact N-O 3Å; G703-L734 VanDerWaalsContact N-O 3.09Å
704	Q	52.1	Low	83.2	Confident	144 Å²	144	31.6 Å²	31.6	67%	0.673	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-9.7	-177.3	-67	178.2	-13.5	0	0	114.5	S702	S702-Q704 PolarHBondContact O-N 3.33Å
705	S	55.3	Low	83.1	Confident	44 Å²	44	30.7 Å²	30.7	31%	0.308	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	10.6	-166.5	57.2	0	0	0	0	114.2	S702	S702-S705 VanDerWaalsContact CB-OG 3.22Å; S702-S705 WeakPolarHBondContact CB-OG 3.44Å; S702-S705 PolarHBondContact O-N 3.49Å; S702-S705 VanDerWaalsContact O-N 3.08Å; S702-S705 PolarHBondContact OG-OG 3.49Å; S702-S705 VanDerWaalsContact OG-OG 3.09Å
706	G	73.3	Confident	83	Confident	36 Å²	36	35.8 Å²	35.8	37%	0.371	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.2	-143.9	-178.5	0	0	0	0	0	113.1	Q701 S702	Q701-G706 WeakPolarHBondContact CA-O 3.28Å; Q701-G706 VanDerWaalsContact CB-O 3.26Å; Q701-G706 WeakPolarHBondContact CB-O 3.45Å; S702-G706 PolarHBondContact N-O 2.87Å
707	H	81.8	Confident	82.7	Confident	50 Å²	50	39.5 Å²	39.5	23%	0.231	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	126.4	177.7	-179.9	74.2	0	0	0	111.8	S699 C709 L744 W812	S699-H707 PolarHBondContact OG-ND1 3.39Å; H707-C709 PolarHBondContact CE1-O 3.48Å; H707-L744 HydrophobicContact CB-CD1 3.54Å; H707-L744 HydrophobicContact CB-CD2 3.89Å; H707-L744 HydrophobicContact CB-CG 4.35Å; H707-W812 AromaticContact CE1-CE3 3.69Å
708	V	83.6	Confident	82.7	Confident	58 Å²	58	43.2 Å²	43.2	35%	0.352	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-50.9	174.9	-176.9	0	0	0	0	110.7	L700 W735	L700-V708 PolarHBondContact O-N 2.85Å; V708-W735 HydrophobicContact CB-CH2 4.26Å; V708-W735 HydrophobicContact CB-CZ3 3.94Å; V708-W735 HydrophobicContact CG1-CH2 4.03Å; V708-W735 HydrophobicContact CG1-CZ3 4.22Å; V708-W735 HydrophobicContact CG2-CH2 4.34Å; V708-W735 HydrophobicContact CG2-CZ3 3.96Å
709	C	88.3	Confident	82.7	Confident	17 Å²	17	43.2 Å²	43.2	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.7	-175.7	-75.5	0	0	0	0	112.7	L700 H707 C725	L700-C709 HydrophobicContact CB-CB 4.29Å; L700-C709 WeakPolarHBondContact CB-O 3.46Å; L700-C709 HydrophobicContact CD2-CB 4.25Å; L700-C709 PolarHBondContact N-O 3.46Å; L700-C709 PolarHBondContact O-N 2.81Å; H707-C709 PolarHBondContact CE1-O 3.48Å; C709-C725 HydrophobicContact CB-CB 3.91Å; C709-C725 WeakPolarHBondContact CB-SG 3.3Å; C709-C725 WeakPolarHBondContact SG-CB 3.29Å; C709-C725 CovalentContact SG-SG 2.02Å; C709-C725 PolarHBondContact SG-SG 3.31Å
710	G	89.4	Confident	82.9	Confident	33 Å²	33	45.4 Å²	45.4	34%	0.34	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	144.6	166	0	0	0	0	0	111.7	T721	G710-T721 PolarHBondContact O-OG1 3.09Å
711	C	91.9	Very high	83	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.7	169.1	61.4	0	0	0	0	111	C698 L720	C698-C711 HydrophobicContact CB-CB 4.47Å; C698-C711 WeakPolarHBondContact CB-SG 3.42Å; C698-C711 PolarHBondContact N-O 3.12Å; C698-C711 PolarHBondContact O-N 3.08Å; C698-C711 PolarHBondContact O-SG 3.22Å; C698-C711 VanDerWaalsContact SG-CA 3.57Å; C698-C711 WeakPolarHBondContact SG-CB 3.14Å; C698-C711 PolarHBondContact SG-O 3.15Å; C698-C711 CovalentContact SG-SG 2.03Å; C698-C711 PolarHBondContact SG-SG 2.04Å; C711-L720 CarbonylContact C-O 3.55Å; C711-L720 WeakPolarHBondContact CA-O 3.08Å
712	V	93.2	Very high	83.1	Confident	46 Å²	46	47 Å²	47	28%	0.279	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.8	-179.4	-175.1	0	0	0	0	110.3	W696 I714 A719 L720 V792	W696-V712 HydrophobicContact CB-CG1 4.13Å; W696-V712 HydrophobicContact CG-CG1 4.38Å; W696-V712 WeakPolarHBondContact O-CA 3.03Å; V712-I714 PolarHBondContact O-N 3.47Å; V712-A719 CarbonylContact O-C 3.6Å; V712-A719 WeakPolarHBondContact O-CA 3.33Å; V712-L720 PolarHBondContact N-O 2.66Å; V712-L720 PolarHBondContact O-N 3.4Å; V712-V792 HydrophobicContact CG1-CB 4.08Å; V712-V792 HydrophobicContact CG1-CG1 3.44Å; V712-V792 VanDerWaalsContact CG1-CG1 3.44Å
713	L	91.4	Very high	83.4	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	119	176.4	-167.1	73.4	0	0	0	110.4	W696 A715 L739 L779 V783 V789 P791 V792	W696-L713 PolarHBondContact O-N 2.8Å; L713-A715 WeakPolarHBondContact CD1-O 3.23Å; L713-A715 WeakPolarHBondContact CG-O 3.43Å; L713-L739 HydrophobicContact CB-CD2 3.96Å; L713-L739 HydrophobicContact CD1-CD2 4.03Å; L713-L739 HydrophobicContact CD2-CD2 4.05Å; L713-L739 HydrophobicContact CG-CD2 4.23Å; L713-L779 HydrophobicContact CD1-CD1 4.3Å; L713-V783 HydrophobicContact CD1-CG2 4.35Å; L713-V783 HydrophobicContact CD2-CG1 4.44Å; L713-V789 HydrophobicContact CD2-CG1 4.26Å; L713-P791 HydrophobicContact CG-CB 4.5Å; L713-P791 CarbonylContact O-C 3.44Å; L713-P791 VanDerWaalsContact O-CA 3.26Å; L713-P791 WeakPolarHBondContact O-CA 2.94Å; L713-V792 PolarHBondContact O-N 3.21Å
714	I	89.6	Confident	84.4	Confident	38 Å²	38	48.1 Å²	48.1	20%	0.195	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-23.8	178.1	56.9	167.4	0	0	0	112.5	V712 W718 L720 V792 L794	V712-I714 PolarHBondContact O-N 3.47Å; I714-W718 HydrophobicContact CD1-CB 4.13Å; I714-W718 HydrophobicContact CG1-CB 3.83Å; I714-W718 WeakPolarHBondContact CG1-O 3.26Å; I714-W718 PolarHBondContact N-O 3.32Å; I714-L720 HydrophobicContact CD1-CB 4.4Å; I714-L720 HydrophobicContact CG2-CB 3.81Å; I714-L720 HydrophobicContact CG2-CD2 4.45Å; I714-V792 HydrophobicContact CG2-CG1 4.17Å; I714-L794 HydrophobicContact CG2-CD2 4.08Å
715	A	83.6	Confident	86	Confident	34 Å²	34	41.7 Å²	41.7	28%	0.281	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	170.4	171	0	0	0	0	0	110.4	L713 R717 W718	L713-A715 WeakPolarHBondContact CD1-O 3.23Å; L713-A715 WeakPolarHBondContact CG-O 3.43Å; A715-R717 PolarHBondContact O-N 3.34Å; A715-W718 HydrophobicContact CB-CB 4.09Å; A715-W718 PolarHBondContact N-O 3.33Å; A715-W718 VanDerWaalsContact N-O 3.09Å; A715-W718 PolarHBondContact O-N 2.88Å
716	R	84.3	Confident	87.2	Confident	108 Å²	108	39.6 Å²	39.6	41%	0.408	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.3	-176.9	-63.7	-177.9	-179.2	-168.5	-6.9	115.5	E782 V783 E785	R716-E782 HydrophobicContact CB-CG 4.42Å; R716-V783 WeakPolarHBondContact O-CG2 3.36Å; R716-V783 PolarHBondContact O-N 3.32Å; R716-E785 HydrophobicContact CG-CG 4.43Å; R716-E785 WeakPolarHBondContact CG-OE1 3.32Å; R716-E785 IonicContact CZ-OE1 2.72Å; R716-E785 IonicContact CZ-OE2 3.09Å; R716-E785 IonicContact NE-OE1 3.86Å; R716-E785 PolarHBondContact NE-OE1 3.23Å; R716-E785 IonicContact NE-OE2 3.55Å; R716-E785 IonicContact NH2-OE1 2.7Å; R716-E785 PolarHBondContact NH2-OE1 3.48Å; R716-E785 IonicContact NH2-OE2 3.82Å; R716-E785 PolarHBondContact NH2-OE2 2.59Å
717	R	85.9	Confident	86.9	Confident	103 Å²	103	42.2 Å²	42.2	39%	0.389	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	2.9	177	-59.7	-169.5	-174.2	-143.1	-4.8	113.9	A715 L779 E782	A715-R717 PolarHBondContact O-N 3.34Å; R717-L779 PolarHBondContact O-N 2.99Å; R717-E782 HydrophobicContact CG-CB 4.45Å; R717-E782 HydrophobicContact CG-CG 3.44Å; R717-E782 VanDerWaalsContact CG-CG 3.44Å; R717-E782 IonicContact CZ-OE1 3.31Å; R717-E782 IonicContact NE-OE1 3.91Å; R717-E782 PolarHBondContact NE-OE1 3.44Å; R717-E782 IonicContact NH2-OE1 3.85Å; R717-E782 PolarHBondContact NH2-OE1 2.84Å
718	W	89.6	Confident	85.9	Confident	100 Å²	100	43.6 Å²	43.6	38%	0.379	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.1	-168.7	-64.1	100.5	0	0	0	110.6	I714 A715 V776 Q778	I714-W718 HydrophobicContact CD1-CB 4.13Å; I714-W718 HydrophobicContact CG1-CB 3.83Å; I714-W718 WeakPolarHBondContact CG1-O 3.26Å; I714-W718 PolarHBondContact N-O 3.32Å; A715-W718 HydrophobicContact CB-CB 4.09Å; A715-W718 PolarHBondContact N-O 3.33Å; A715-W718 VanDerWaalsContact N-O 3.09Å; A715-W718 PolarHBondContact O-N 2.88Å; W718-V776 HydrophobicContact CE3-CG1 3.53Å; W718-V776 HydrophobicContact CZ3-CG1 3.88Å; W718-Q778 HydrophobicContact CD2-CG 4.48Å; W718-Q778 HydrophobicContact CE3-CB 4.01Å; W718-Q778 HydrophobicContact CE3-CG 4.22Å; W718-Q778 HydrophobicContact CH2-CB 4.09Å; W718-Q778 HydrophobicContact CH2-CG 3.91Å; W718-Q778 HydrophobicContact CZ2-CG 4.15Å; W718-Q778 HydrophobicContact CZ3-CB 3.68Å; W718-Q778 HydrophobicContact CZ3-CG 3.95Å
719	A	92.1	Very high	85	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.9	172.8	0	0	0	0	0	110.1	V712 V777	V712-A719 CarbonylContact O-C 3.6Å; V712-A719 WeakPolarHBondContact O-CA 3.33Å; A719-V777 HydrophobicContact CB-CB 4.41Å; A719-V777 PolarHBondContact N-O 3.23Å; A719-V777 PolarHBondContact O-N 3.38Å
720	L	93.5	Very high	83.9	Confident	47 Å²	47	51 Å²	51	25%	0.246	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.8	176.2	-171.5	71.3	0	0	0	109	C711 V712 I714 I774 V776	C711-L720 CarbonylContact C-O 3.55Å; C711-L720 WeakPolarHBondContact CA-O 3.08Å; V712-L720 PolarHBondContact N-O 2.66Å; V712-L720 PolarHBondContact O-N 3.4Å; I714-L720 HydrophobicContact CD1-CB 4.4Å; I714-L720 HydrophobicContact CG2-CB 3.81Å; I714-L720 HydrophobicContact CG2-CD2 4.45Å; L720-I774 HydrophobicContact CD1-CD1 4Å; L720-I774 HydrophobicContact CD1-CG1 3.89Å; L720-V776 HydrophobicContact CD1-CG2 3.84Å
721	T	93.4	Very high	83.3	Confident	10 Å²	10	53.2 Å²	53.2	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-163.4	173.6	-170.5	0	0	0	0	108.8	G710 F726 S775 V777	G710-T721 PolarHBondContact O-OG1 3.09Å; T721-F726 HydrophobicContact CG2-CD2 4.49Å; T721-F726 HydrophobicContact CG2-CE2 3.38Å; T721-F726 HydrophobicContact CG2-CZ 3.78Å; T721-S775 CarbonylContact C-O 3.54Å; T721-S775 WeakPolarHBondContact CG2-OG 3.03Å; T721-S775 PolarHBondContact N-O 3.23Å; T721-S775 PolarHBondContact O-N 3.03Å; T721-V777 HydrophobicContact CG2-CG2 3.81Å
722	V	90.4	Very high	82.6	Confident	45 Å²	45	54 Å²	54	27%	0.273	28%	0.278	S	S	.	.			trans	-105.2	153.4	-175.1	-64	0	0	0	0	110.5	H724 C725 S775	V722-H724 WeakPolarHBondContact CG2-CE1 3.41Å; V722-H724 WeakPolarHBondContact CG2-ND1 3.37Å; V722-C725 HydrophobicContact CG2-CB 4.37Å; V722-C725 WeakPolarHBondContact CG2-SG 3.39Å; V722-S775 PolarHBondContact O-OG 3.45Å
723	A	86.1	Confident	81.9	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	30%	0.303	C	S	.	.	S	Bend	trans	-71.7	-38.4	-173.5	0	0	0	0	0	112	C725 F726 V761 Y765 D773	A723-C725 PolarHBondContact O-N 3.06Å; A723-C725 VanDerWaalsContact O-N 3.1Å; A723-F726 PolarHBondContact O-N 3.05Å; A723-V761 HydrophobicContact CB-CG1 3.61Å; A723-Y765 HydrophobicContact CB-CD1 3.56Å; A723-Y765 HydrophobicContact CB-CD2 3.66Å; A723-Y765 HydrophobicContact CB-CE1 4.06Å; A723-Y765 HydrophobicContact CB-CE2 4.13Å; A723-Y765 HydrophobicContact CB-CG 3.36Å; A723-D773 WeakPolarHBondContact CA-OD1 3.45Å; A723-D773 WeakPolarHBondContact CB-OD1 3.32Å; A723-D773 PolarHBondContact N-OD1 3.39Å
724	H	84	Confident	81.3	Confident	92 Å²	92	62.6 Å²	62.6	43%	0.426	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.3	-177.7	73.3	-107.1	0	0	0	113.9	V722 F726 E727 Y765 D773	V722-H724 WeakPolarHBondContact CG2-CE1 3.41Å; V722-H724 WeakPolarHBondContact CG2-ND1 3.37Å; H724-F726 PolarHBondContact O-N 3.27Å; H724-E727 PolarHBondContact O-N 2.6Å; H724-Y765 HydrophobicContact CB-CE1 4.43Å; H724-Y765 HydrophobicContact CB-CE2 4.34Å; H724-Y765 WeakPolarHBondContact CB-OH 3.31Å; H724-D773 IonicContact CE1-OD2 3.83Å; H724-D773 PolarHBondContact CE1-OD2 3.44Å; H724-D773 IonicContact CG-OD1 3.84Å; H724-D773 IonicContact CG-OD2 2.9Å; H724-D773 PolarHBondContact N-OD1 3.01Å; H724-D773 IonicContact ND1-OD1 3.09Å; H724-D773 PolarHBondContact ND1-OD1 3.47Å; H724-D773 IonicContact ND1-OD2 2.74Å; H724-D773 PolarHBondContact ND1-OD2 2.99Å
725	C	85	Confident	81.1	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.061	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-65	-19.9	177.2	-65.2	0	0	0	0	113.6	L700 C709 V722 A723 W735	L700-C725 HydrophobicContact CD2-CB 4.33Å; C709-C725 HydrophobicContact CB-CB 3.91Å; C709-C725 WeakPolarHBondContact CB-SG 3.3Å; C709-C725 WeakPolarHBondContact SG-CB 3.29Å; C709-C725 CovalentContact SG-SG 2.02Å; C709-C725 PolarHBondContact SG-SG 3.31Å; V722-C725 HydrophobicContact CG2-CB 4.37Å; V722-C725 WeakPolarHBondContact CG2-SG 3.39Å; A723-C725 PolarHBondContact O-N 3.06Å; A723-C725 VanDerWaalsContact O-N 3.1Å; C725-W735 WeakPolarHBondContact O-CH2 3.22Å; C725-W735 WeakPolarHBondContact O-CZ2 3.46Å
726	F	80.3	Confident	81.4	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-109	-1.2	-176.6	-59.7	-64.4	0	0	0	113.5	L700 T721 A723 H724 G728 R729 W735 I759 V761 S775 V777	L700-F726 HydrophobicContact CD1-CE1 4.47Å; L700-F726 HydrophobicContact CD1-CZ 4.36Å; L700-F726 HydrophobicContact CD2-CE1 3.62Å; L700-F726 HydrophobicContact CD2-CE2 4.43Å; L700-F726 HydrophobicContact CD2-CZ 3.49Å; L700-F726 VanDerWaalsContact CD2-CZ 3.49Å; T721-F726 HydrophobicContact CG2-CD2 4.49Å; T721-F726 HydrophobicContact CG2-CE2 3.38Å; T721-F726 HydrophobicContact CG2-CZ 3.78Å; A723-F726 PolarHBondContact O-N 3.05Å; H724-F726 PolarHBondContact O-N 3.27Å; F726-G728 PolarHBondContact O-N 3Å; F726-R729 CarbonylContact O-C 3.6Å; F726-R729 PolarHBondContact O-N 2.88Å; F726-W735 HydrophobicContact CD1-CD2 4.35Å; F726-W735 AromaticContact CD1-CE2 3.71Å; F726-W735 AromaticContact CD1-CZ2 3.8Å; F726-W735 HydrophobicContact CD1-CZ2 3.8Å; F726-W735 AromaticContact CD1-NE1 3.77Å; F726-W735 AromaticContact CE1-CD2 3.94Å; F726-W735 HydrophobicContact CE1-CD2 3.94Å; F726-W735 AromaticContact CE1-CE2 3.78Å; F726-W735 HydrophobicContact CE1-CE3 4.45Å; F726-W735 HydrophobicContact CE1-CG 4.22Å; F726-W735 HydrophobicContact CE1-CZ2 4.11Å; F726-W735 AromaticContact CE1-NE1 3.99Å; F726-I759 HydrophobicContact CB-CG2 4.31Å; F726-I759 HydrophobicContact CD1-CD1 3.7Å; F726-I759 HydrophobicContact CD1-CG1 4.42Å; F726-I759 HydrophobicContact CD1-CG2 3.9Å; F726-I759 HydrophobicContact CD2-CG2 3.55Å; F726-I759 HydrophobicContact CE1-CD1 3.64Å; F726-I759 HydrophobicContact CE1-CG1 4.11Å; F726-I759 HydrophobicContact CE1-CG2 4.05Å; F726-I759 HydrophobicContact CE2-CG2 3.68Å; F726-I759 HydrophobicContact CG-CD1 4.5Å; F726-I759 HydrophobicContact CG-CG2 3.65Å; F726-I759 HydrophobicContact CZ-CD1 4.39Å; F726-I759 HydrophobicContact CZ-CG1 4.39Å; F726-I759 HydrophobicContact CZ-CG2 3.95Å; F726-V761 HydrophobicContact CB-CG2 4.03Å; F726-V761 HydrophobicContact CD2-CG2 4.31Å; F726-S775 VanDerWaalsContact CE2-OG 3.24Å; F726-S775 WeakPolarHBondContact CE2-OG 3.37Å; F726-V777 HydrophobicContact CE2-CG2 3.83Å; F726-V777 HydrophobicContact CZ-CG2 3.5Å
727	E	68.3	Low	81.8	Confident	90 Å²	90	57.8 Å²	57.8	42%	0.421	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	117.6	-180	-162	177	160.2	0	0	110	H724 R729 Y765 R767	H724-E727 PolarHBondContact O-N 2.6Å; E727-R729 VanDerWaalsContact C-N 3.32Å; E727-Y765 WeakPolarHBondContact OE2-CE1 3.45Å; E727-Y765 PolarHBondContact OE2-OH 3.13Å; E727-R767 WeakPolarHBondContact OE1-CD 3.08Å; E727-R767 IonicContact OE1-NH1 3.53Å
728	G	60	Low	82	Confident	79 Å²	79	53.1 Å²	53.1	81%	0.814	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	0.6	-173.7	0	0	0	0	0	115.4	F726	F726-G728 PolarHBondContact O-N 3Å
729	R	65.1	Low	82	Confident	74 Å²	74	48.3 Å²	48.3	28%	0.279	26%	0.256	S	S	.	.			trans	-142.6	55.1	-175.3	-59	-175.6	-173	-150.2	6.3	112.6	E363 F726 E727 N731 W735	E363-R729 IonicContact OE2-CZ 2.77Å; E363-R729 IonicContact OE2-NE 3.63Å; E363-R729 IonicContact OE2-NH2 2.67Å; E363-R729 PolarHBondContact OE2-NH2 3.38Å; F726-R729 CarbonylContact O-C 3.6Å; F726-R729 PolarHBondContact O-N 2.88Å; E727-R729 VanDerWaalsContact C-N 3.32Å; R729-N731 VanDerWaalsContact C-N 3.32Å; R729-N731 PolarHBondContact O-N 2.87Å; R729-W735 HydrophobicContact CB-CZ2 3.89Å; R729-W735 PolarHBondContact O-NE1 2.7Å
730	E	65.4	Low	81.6	Confident	156 Å²	156	49 Å²	49	73%	0.729	26%	0.263	S	S	*	.			trans	-77.9	-10	-172.3	-61.3	-174.5	175.4	0	0	115	A732	E730-A732 PolarHBondContact O-N 3.44Å
731	N	75.5	Confident	80.8	Confident	81 Å²	81	47.6 Å²	47.6	43%	0.433	26%	0.255	S	S	.	.			trans	-73.5	112.9	-176.6	-170.1	11.8	0	0	0	111.8	R729 E733 L734	R729-N731 VanDerWaalsContact C-N 3.32Å; R729-N731 PolarHBondContact O-N 2.87Å; N731-E733 VanDerWaalsContact C-N 3.26Å; N731-E733 PolarHBondContact O-N 3.02Å; N731-L734 HydrophobicContact CB-CD1 4.02Å; N731-L734 HydrophobicContact CB-CG 4.16Å; N731-L734 PolarHBondContact O-N 3.01Å
732	A	77.9	Confident	79.6	Confident	17 Å²	17	49 Å²	49	14%	0.14	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-59	-31.6	-177.7	0	0	0	0	0	113.9	E730 L734 W735 V756 I759	E730-A732 PolarHBondContact O-N 3.44Å; A732-L734 PolarHBondContact O-N 3.14Å; A732-L734 VanDerWaalsContact O-N 3.14Å; A732-W735 PolarHBondContact O-N 2.03Å; A732-V756 HydrophobicContact CB-CG1 4.08Å; A732-I759 HydrophobicContact CB-CD1 4.33Å; A732-I759 HydrophobicContact CB-CG1 4.46Å
733	E	78.6	Confident	78.4	Confident	171 Å²	171	49.2 Å²	49.2	80%	0.799	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18	-177.6	-63.2	-178.1	169.9	0	0	113.7	N731	N731-E733 VanDerWaalsContact C-N 3.26Å; N731-E733 PolarHBondContact O-N 3.02Å
734	L	78.2	Confident	77.5	Confident	59 Å²	59	51.3 Å²	51.3	31%	0.309	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-83.7	-15.7	-179.3	-58.7	179.9	0	0	0	113.1	S702 G703 N731 A732	S702-L734 WeakPolarHBondContact CA-O 3.4Å; G703-L734 PolarHBondContact N-O 3Å; G703-L734 VanDerWaalsContact N-O 3.09Å; N731-L734 HydrophobicContact CB-CD1 4.02Å; N731-L734 HydrophobicContact CB-CG 4.16Å; N731-L734 PolarHBondContact O-N 3.01Å; A732-L734 PolarHBondContact O-N 3.14Å; A732-L734 VanDerWaalsContact O-N 3.14Å
735	W	85.8	Confident	76.2	Confident	6 Å²	6	53 Å²	53	2%	0.023	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.6	-168.7	-65.5	101.7	0	0	0	111.5	L700 V708 C725 F726 R729 A732 V756 I759	L700-W735 HydrophobicContact CD1-CB 4.45Å; L700-W735 HydrophobicContact CD1-CD2 4.48Å; L700-W735 HydrophobicContact CD1-CE3 3.9Å; L700-W735 HydrophobicContact CD2-CE3 3.8Å; L700-W735 HydrophobicContact CD2-CH2 4.25Å; L700-W735 HydrophobicContact CD2-CZ3 3.65Å; L700-W735 HydrophobicContact CG-CD2 4.47Å; L700-W735 HydrophobicContact CG-CE3 3.54Å; L700-W735 HydrophobicContact CG-CZ3 3.69Å; V708-W735 HydrophobicContact CB-CH2 4.26Å; V708-W735 HydrophobicContact CB-CZ3 3.94Å; V708-W735 HydrophobicContact CG1-CH2 4.03Å; V708-W735 HydrophobicContact CG1-CZ3 4.22Å; V708-W735 HydrophobicContact CG2-CH2 4.34Å; V708-W735 HydrophobicContact CG2-CZ3 3.96Å; C725-W735 WeakPolarHBondContact O-CH2 3.22Å; C725-W735 WeakPolarHBondContact O-CZ2 3.46Å; F726-W735 HydrophobicContact CD1-CD2 4.35Å; F726-W735 AromaticContact CD1-CE2 3.71Å; F726-W735 AromaticContact CD1-CZ2 3.8Å; F726-W735 HydrophobicContact CD1-CZ2 3.8Å; F726-W735 AromaticContact CD1-NE1 3.77Å; F726-W735 AromaticContact CE1-CD2 3.94Å; F726-W735 HydrophobicContact CE1-CD2 3.94Å; F726-W735 AromaticContact CE1-CE2 3.78Å; F726-W735 HydrophobicContact CE1-CE3 4.45Å; F726-W735 HydrophobicContact CE1-CG 4.22Å; F726-W735 HydrophobicContact CE1-CZ2 4.11Å; F726-W735 AromaticContact CE1-NE1 3.99Å; R729-W735 HydrophobicContact CB-CZ2 3.89Å; R729-W735 PolarHBondContact O-NE1 2.7Å; A732-W735 PolarHBondContact O-N 2.03Å; W735-V756 HydrophobicContact CB-CB 4.01Å; W735-V756 HydrophobicContact CB-CG2 3.68Å; W735-V756 WeakPolarHBondContact O-CG2 3.38Å; W735-V756 PolarHBondContact O-N 2.01Å; W735-V756 VanDerWaalsContact O-N 3.17Å; W735-I759 HydrophobicContact CG-CD1 4.23Å
736	K	89.9	Confident	74.9	Confident	72 Å²	72	58 Å²	58	31%	0.313	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.7	170.2	67.1	-174.2	178	174.6	0	109.5	Q701 V738 T753 R754	Q701-K736 HydrophobicContact CB-CD 4.39Å; Q701-K736 HydrophobicContact CB-CG 3.8Å; Q701-K736 PolarHBondContact N-O 3.44Å; Q701-K736 PolarHBondContact O-N 3.24Å; Q701-K736 VanDerWaalsContact O-O 3.06Å; K736-V738 HydrophobicContact CG-CG2 4.48Å; K736-T753 HydrophobicContact CB-CG2 4.19Å; K736-T753 HydrophobicContact CD-CG2 4.3Å; K736-R754 WeakPolarHBondContact CA-O 3.09Å
737	V	92.1	Very high	74	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.9	176	175.6	0	0	0	0	108	C698 L700 L739 T753 R754 V756 V777 L779	C698-V737 HydrophobicContact CB-CG1 3.87Å; L700-V737 HydrophobicContact CD1-CG2 3.82Å; V737-L739 HydrophobicContact CG1-CD1 4.07Å; V737-L739 HydrophobicContact CG1-CG 4.22Å; V737-T753 CarbonylContact O-C 3.5Å; V737-T753 WeakPolarHBondContact O-CA 3.02Å; V737-R754 PolarHBondContact N-O 2.68Å; V737-R754 PolarHBondContact O-N 3.46Å; V737-V756 HydrophobicContact CG2-CG2 3.93Å; V737-V777 HydrophobicContact CG2-CG1 4.44Å; V737-L779 HydrophobicContact CB-CD2 3.83Å; V737-L779 HydrophobicContact CG1-CD2 4.31Å; V737-L779 HydrophobicContact CG2-CD2 3.76Å
738	V	90.2	Very high	73.9	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.6	178.3	-162.7	0	0	0	0	109.9	C698 S699 Q701 K736 L741 Q752 T753	C698-V738 WeakPolarHBondContact CA-O 3.48Å; C698-V738 WeakPolarHBondContact CB-O 3.09Å; S699-V738 PolarHBondContact N-O 2.03Å; S699-V738 PolarHBondContact O-N 3.02Å; Q701-V738 HydrophobicContact CG-CG2 4.11Å; K736-V738 HydrophobicContact CG-CG2 4.48Å; V738-L741 HydrophobicContact CB-CD1 3.63Å; V738-L741 HydrophobicContact CB-CG 4.4Å; V738-L741 HydrophobicContact CG1-CD1 3.39Å; V738-L741 HydrophobicContact CG1-CD2 3.99Å; V738-L741 HydrophobicContact CG1-CG 3.7Å; V738-Q752 CarbonylContact C-O 3.5Å; V738-Q752 WeakPolarHBondContact CA-O 3.31Å; V738-T753 HydrophobicContact CG2-CG2 4.11Å
739	L	90	Very high	74.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	159.1	-174.3	-62.9	124.7	0	0	0	110.5	C698 L713 V737 L741 S751 Q752 V783 V789	C698-L739 HydrophobicContact CB-CD2 3.61Å; C698-L739 HydrophobicContact CB-CG 3.77Å; L713-L739 HydrophobicContact CB-CD2 3.96Å; L713-L739 HydrophobicContact CD1-CD2 4.03Å; L713-L739 HydrophobicContact CD2-CD2 4.05Å; L713-L739 HydrophobicContact CG-CD2 4.23Å; V737-L739 HydrophobicContact CG1-CD1 4.07Å; V737-L739 HydrophobicContact CG1-CG 4.22Å; L739-L741 PolarHBondContact O-N 2.91Å; L739-S751 CarbonylContact O-C 3.44Å; L739-S751 VanDerWaalsContact O-CA 3.23Å; L739-S751 WeakPolarHBondContact O-CA 3.36Å; L739-Q752 PolarHBondContact N-O 3.26Å; L739-Q752 PolarHBondContact O-N 3.11Å; L739-V783 HydrophobicContact CD1-CG1 4.1Å; L739-V783 HydrophobicContact CD1-CG2 3.75Å; L739-V789 HydrophobicContact CB-CG1 3.89Å; L739-V789 HydrophobicContact CB-CG2 4.06Å; L739-V789 HydrophobicContact CD2-CG1 4.05Å; L739-V789 HydrophobicContact CG-CG1 4.44Å
740	G	83.2	Confident	74.5	Confident	14 Å²	14	62.1 Å²	62.1	14%	0.144	34%	0.343	C	S	.	.	S	Bend	trans	73.2	17.1	176.7	0	0	0	0	0	114.1
741	L	77.9	Confident	75.4	Confident	17 Å²	17	56.4 Å²	56.4	9%	0.089	32%	0.321	C	S	.	.			trans	-85	156.2	177	-64.3	172.9	0	0	0	111.6	V738 L739 L744 P747 W812	V738-L741 HydrophobicContact CB-CD1 3.63Å; V738-L741 HydrophobicContact CB-CG 4.4Å; V738-L741 HydrophobicContact CG1-CD1 3.39Å; V738-L741 HydrophobicContact CG1-CD2 3.99Å; V738-L741 HydrophobicContact CG1-CG 3.7Å; L739-L741 PolarHBondContact O-N 2.91Å; L741-L744 HydrophobicContact CD1-CD2 4.44Å; L741-P747 HydrophobicContact CD2-CB 3.67Å; L741-W812 HydrophobicContact CB-CH2 4.49Å; L741-W812 HydrophobicContact CB-CZ2 4.06Å
742	T	67.8	Low	76	Confident	39 Å²	39	53.4 Å²	53.4	24%	0.239	30%	0.304	C	S	.	.	S	Bend	trans	-132.3	-45.7	169.3	-55.9	0	0	0	0	109.3	S689 R691 W812	S689-T742 WeakPolarHBondContact O-CG2 3.39Å; R691-T742 HydrophobicContact CG-CG2 4.08Å; R691-T742 WeakPolarHBondContact CG-OG1 3.26Å; T742-W812 PolarHBondContact O-NE1 3.13Å; T742-W812 VanDerWaalsContact O-NE1 3.08Å
743	N	65.3	Low	76.5	Confident	51 Å²	51	56 Å²	56	27%	0.273	32%	0.318	S	S	.	.	S	Bend	trans	-98.9	142.2	163.2	-164.5	-26.4	0	0	0	109.4	D238 D745	D238-N743 PolarHBondContact OD2-ND2 2.73Å; N743-D745 PolarHBondContact OD1-N 2.99Å; N743-D745 VanDerWaalsContact OD1-N 3.08Å
744	L	67.3	Low	77.2	Confident	45 Å²	45	50 Å²	50	24%	0.236	29%	0.288	C	S	.	.	S	Bend	trans	-77.4	-32.8	177.4	-76.3	176.1	0	0	0	112.2	H707 L741 W812	H707-L744 HydrophobicContact CB-CD1 3.54Å; H707-L744 HydrophobicContact CB-CD2 3.89Å; H707-L744 HydrophobicContact CB-CG 4.35Å; L741-L744 HydrophobicContact CD1-CD2 4.44Å; L744-W812 HydrophobicContact CD1-CB 3.52Å; L744-W812 HydrophobicContact CD1-CG 3.78Å; L744-W812 HydrophobicContact CD2-CD2 4.03Å; L744-W812 HydrophobicContact CD2-CE3 4.48Å; L744-W812 HydrophobicContact CD2-CG 4.05Å; L744-W812 HydrophobicContact CG-CB 4.08Å; L744-W812 HydrophobicContact CG-CD2 4.23Å; L744-W812 HydrophobicContact CG-CG 3.75Å
745	D	55.5	Low	77.7	Confident	127 Å²	127	50.2 Å²	50.2	68%	0.679	30%	0.295	S	S	*	.	S	Bend	trans	-83.3	-27.6	-173.3	-59	-43.4	0	0	0	112	N743 P747	N743-D745 PolarHBondContact OD1-N 2.99Å; N743-D745 VanDerWaalsContact OD1-N 3.08Å; D745-P747 WeakPolarHBondContact O-CD 3.02Å
746	H	58.1	Low	78	Confident	115 Å²	115	50.4 Å²	50.4	53%	0.532	30%	0.297	S	S	.	.	S	Bend	trans	-121.5	86.6	-179.3	-62.4	104.7	0	0	0	111.5	G748	H746-G748 PolarHBondContact O-N 3.01Å
747	P	62.5	Low	77.8	Confident	82 Å²	82	54.8 Å²	54.8	53%	0.532	31%	0.311	S	S	.	.			trans	-65.5	106.4	174.9	24.4	-30.5	0	0	0	110.3	L741 D745	L741-P747 HydrophobicContact CD2-CB 3.67Å; D745-P747 WeakPolarHBondContact O-CD 3.02Å
748	G	64.6	Low	77.4	Confident	31 Å²	31	56.5 Å²	56.5	32%	0.32	32%	0.324	S	S	.	.			trans	-64.7	169.6	179	0	0	0	0	0	113.7	H746 H750 S751	H746-G748 PolarHBondContact O-N 3.01Å; G748-H750 PolarHBondContact O-N 3.12Å; G748-S751 WeakPolarHBondContact O-CB 3.3Å; G748-S751 PolarHBondContact O-N 3Å; G748-S751 PolarHBondContact O-OG 3.36Å
749	A	66.8	Low	77.3	Confident	106 Å²	106	57.9 Å²	57.9	88%	0.876	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-9.8	-178.6	0	0	0	0	0	115.5
750	H	72.5	Confident	77.1	Confident	110 Å²	110	61.8 Å²	61.8	51%	0.509	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	4.5	178.4	-56.5	-46	0	0	0	113.3	G748 H788	G748-H750 PolarHBondContact O-N 3.12Å; H750-H788 HydrophobicContact CB-CB 4.43Å; H750-H788 AromaticContact CD2-CE1 3.55Å; H750-H788 AromaticContact CD2-ND1 3.83Å; H750-H788 AromaticContact CG-ND1 3.83Å
751	S	83.8	Confident	77.2	Confident	37 Å²	37	63.4 Å²	63.4	26%	0.259	36%	0.361	S	S	.	.			trans	-75.1	146.5	178.3	66.7	0	0	0	0	111.6	L739 G748	L739-S751 CarbonylContact O-C 3.44Å; L739-S751 VanDerWaalsContact O-CA 3.23Å; L739-S751 WeakPolarHBondContact O-CA 3.36Å; G748-S751 WeakPolarHBondContact O-CB 3.3Å; G748-S751 PolarHBondContact O-N 3Å; G748-S751 PolarHBondContact O-OG 3.36Å
752	Q	88.4	Confident	77.4	Confident	18 Å²	18	65.5 Å²	65.5	8%	0.084	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.7	178.1	-68.3	179.6	55.1	0	0	110	V738 L739 E784	V738-Q752 CarbonylContact C-O 3.5Å; V738-Q752 WeakPolarHBondContact CA-O 3.31Å; L739-Q752 PolarHBondContact N-O 3.26Å; L739-Q752 PolarHBondContact O-N 3.11Å; Q752-E784 PolarHBondContact NE2-O 3.09Å; Q752-E784 PolarHBondContact OE1-O 2.93Å
753	T	89.1	Confident	77.8	Confident	72 Å²	72	67.6 Å²	67.6	44%	0.442	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.4	177.5	-56.7	0	0	0	0	110.4	K736 V737 V738	K736-T753 HydrophobicContact CB-CG2 4.19Å; K736-T753 HydrophobicContact CD-CG2 4.3Å; V737-T753 CarbonylContact O-C 3.5Å; V737-T753 WeakPolarHBondContact O-CA 3.02Å; V738-T753 HydrophobicContact CG2-CG2 4.11Å
754	R	91.8	Very high	78.1	Confident	43 Å²	43	68 Å²	68	16%	0.162	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.2	176.7	-64.3	-65.8	179.7	-89.6	2.8	110.5	K736 V737 L779 S781 E782 V783	K736-R754 WeakPolarHBondContact CA-O 3.09Å; V737-R754 PolarHBondContact N-O 2.68Å; V737-R754 PolarHBondContact O-N 3.46Å; R754-L779 HydrophobicContact CB-CB 4.37Å; R754-L779 HydrophobicContact CB-CD1 4.28Å; R754-L779 HydrophobicContact CB-CD2 4.17Å; R754-L779 HydrophobicContact CG-CD1 4.36Å; R754-S781 WeakPolarHBondContact CD-OG 3.18Å; R754-S781 PolarHBondContact NE-OG 3.46Å; R754-E782 PolarHBondContact NE-O 3.39Å; R754-E782 VanDerWaalsContact NE-O 3.07Å; R754-E782 PolarHBondContact NH2-O 2.81Å; R754-E782 VanDerWaalsContact NH2-O 3.17Å; R754-V783 HydrophobicContact CG-CG2 3.89Å
755	S	89.8	Confident	78.4	Confident	65 Å²	65	67.5 Å²	67.5	46%	0.455	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	154.6	174.8	-55.8	0	0	0	0	110.2	D780	S755-D780 WeakPolarHBondContact CB-OD2 3.03Å; S755-D780 PolarHBondContact N-OD1 2.87Å; S755-D780 PolarHBondContact O-N 3.21Å
756	V	91	Very high	78.8	Confident	10 Å²	10	65.6 Å²	65.6	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.7	177.9	176.7	0	0	0	0	110.1	A732 W735 V737 I759 V777	A732-V756 HydrophobicContact CB-CG1 4.08Å; W735-V756 HydrophobicContact CB-CB 4.01Å; W735-V756 HydrophobicContact CB-CG2 3.68Å; W735-V756 WeakPolarHBondContact O-CG2 3.38Å; W735-V756 PolarHBondContact O-N 2.01Å; W735-V756 VanDerWaalsContact O-N 3.17Å; V737-V756 HydrophobicContact CG2-CG2 3.93Å; V756-I759 HydrophobicContact CG1-CD1 4.21Å; V756-I759 HydrophobicContact CG1-CG1 3.62Å; V756-V777 HydrophobicContact CB-CG1 4.12Å; V756-V777 HydrophobicContact CG1-CG1 3.45Å; V756-V777 VanDerWaalsContact CG1-CG1 3.45Å; V756-V777 HydrophobicContact CG2-CG1 3.54Å
757	R	86	Confident	78.7	Confident	163 Å²	163	68.6 Å²	68.6	62%	0.615	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-43.9	175.7	179	176.8	-180	173.1	1.2	112.2	Q778	R757-Q778 PolarHBondContact N-O 2.82Å
758	S	84.6	Confident	78	Confident	37 Å²	37	68.2 Å²	68.2	26%	0.259	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.8	179.5	67.1	0	0	0	0	110.8	Q778	S758-Q778 PolarHBondContact N-O 3.11Å; S758-Q778 PolarHBondContact O-N 3.33Å; S758-Q778 VanDerWaalsContact OG-CB 3.25Å; S758-Q778 WeakPolarHBondContact OG-CB 3.19Å; S758-Q778 PolarHBondContact OG-OE1 3.4Å
759	I	87.4	Confident	77.4	Confident	33 Å²	33	71 Å²	71	17%	0.169	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129	178	-59.9	163.7	0	0	0	106.8	F726 A732 W735 V756 V761	F726-I759 HydrophobicContact CB-CG2 4.31Å; F726-I759 HydrophobicContact CD1-CD1 3.7Å; F726-I759 HydrophobicContact CD1-CG1 4.42Å; F726-I759 HydrophobicContact CD1-CG2 3.9Å; F726-I759 HydrophobicContact CD2-CG2 3.55Å; F726-I759 HydrophobicContact CE1-CD1 3.64Å; F726-I759 HydrophobicContact CE1-CG1 4.11Å; F726-I759 HydrophobicContact CE1-CG2 4.05Å; F726-I759 HydrophobicContact CE2-CG2 3.68Å; F726-I759 HydrophobicContact CG-CD1 4.5Å; F726-I759 HydrophobicContact CG-CG2 3.65Å; F726-I759 HydrophobicContact CZ-CD1 4.39Å; F726-I759 HydrophobicContact CZ-CG1 4.39Å; F726-I759 HydrophobicContact CZ-CG2 3.95Å; A732-I759 HydrophobicContact CB-CD1 4.33Å; A732-I759 HydrophobicContact CB-CG1 4.46Å; W735-I759 HydrophobicContact CG-CD1 4.23Å; V756-I759 HydrophobicContact CG1-CD1 4.21Å; V756-I759 HydrophobicContact CG1-CG1 3.62Å; I759-V761 HydrophobicContact CG2-CG2 4.02Å
760	V	85.5	Confident	77.2	Confident	82 Å²	82	70.4 Å²	70.4	50%	0.497	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	100.5	179.1	-174.7	0	0	0	0	108.1	S775 V776	V760-S775 CarbonylContact O-C 3.56Å; V760-S775 VanDerWaalsContact O-CA 3.28Å; V760-S775 WeakPolarHBondContact O-CA 3.29Å; V760-S775 WeakPolarHBondContact O-CB 3.35Å; V760-V776 PolarHBondContact N-O 3.44Å; V760-V776 PolarHBondContact O-N 3.27Å
761	V	84.9	Confident	77.2	Confident	48 Å²	48	69.6 Å²	69.6	29%	0.291	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.3	176.6	-175.4	0	0	0	0	109.7	A723 F726 I759	A723-V761 HydrophobicContact CB-CG1 3.61Å; F726-V761 HydrophobicContact CB-CG2 4.03Å; F726-V761 HydrophobicContact CD2-CG2 4.31Å; I759-V761 HydrophobicContact CG2-CG2 4.02Å
762	H	82.3	Confident	77	Confident	61 Å²	61	72.7 Å²	72.7	28%	0.282	38%	0.38	S	S	.	.			trans	-64.1	127.5	178.4	-166.4	-83.6	0	0	0	111.5	R764 Y765 Y772 I774	H762-R764 VanDerWaalsContact C-N 3.27Å; H762-R764 PolarHBondContact ND1-N 2.03Å; H762-R764 PolarHBondContact O-N 3.19Å; H762-R764 VanDerWaalsContact O-N 3.17Å; H762-Y765 WeakPolarHBondContact O-CB 3.45Å; H762-Y765 PolarHBondContact O-N 3.14Å; H762-Y772 AromaticContact CE1-CD1 3.38Å; H762-Y772 WeakPolarHBondContact CE1-CD1 3.4Å; H762-Y772 AromaticContact CE1-CG 3.71Å; H762-Y772 WeakPolarHBondContact ND1-CB 3.48Å; H762-Y772 AromaticContact ND1-CD1 3.93Å; H762-Y772 AromaticContact ND1-CG 3.81Å; H762-Y772 AromaticContact NE2-CD1 3.83Å; H762-I774 HydrophobicContact CB-CG2 3.83Å; H762-I774 VanDerWaalsContact CB-O 3.29Å; H762-I774 WeakPolarHBondContact CB-O 3.5Å; H762-I774 PolarHBondContact N-O 3.28Å
763	P	75.7	Confident	76.9	Confident	84 Å²	84	73.7 Å²	73.7	55%	0.545	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.8	-173.2	-25.7	34	0	0	0	115.5	K505	K505-P763 PolarHBondContact NZ-O 3.48Å
764	R	71.8	Confident	76.9	Confident	60 Å²	60	73.8 Å²	73.8	23%	0.226	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2.2	179.3	-57	-176.3	75.2	146.1	0.8	114.1	D511 D515 H762 N766 Y772	D511-R764 IonicContact OD2-CZ 3.63Å; D511-R764 IonicContact OD2-NH1 3.43Å; D511-R764 PolarHBondContact OD2-NH1 2.9Å; D515-R764 IonicContact OD1-NH2 3.53Å; H762-R764 VanDerWaalsContact C-N 3.27Å; H762-R764 PolarHBondContact ND1-N 2.03Å; H762-R764 PolarHBondContact O-N 3.19Å; H762-R764 VanDerWaalsContact O-N 3.17Å; R764-N766 PolarHBondContact O-N 2.81Å; R764-Y772 HydrophobicContact CB-CD2 3.81Å; R764-Y772 HydrophobicContact CB-CE2 4.24Å; R764-Y772 HydrophobicContact CB-CG 4.06Å
765	Y	74.6	Confident	76.9	Confident	33 Å²	33	71.9 Å²	71.9	13%	0.129	38%	0.376	C	S	.	.			trans	-61	128.9	177.3	169.3	-111.2	0	0	0	110.2	A723 H724 E727 H762 D773	A723-Y765 HydrophobicContact CB-CD1 3.56Å; A723-Y765 HydrophobicContact CB-CD2 3.66Å; A723-Y765 HydrophobicContact CB-CE1 4.06Å; A723-Y765 HydrophobicContact CB-CE2 4.13Å; A723-Y765 HydrophobicContact CB-CG 3.36Å; H724-Y765 HydrophobicContact CB-CE1 4.43Å; H724-Y765 HydrophobicContact CB-CE2 4.34Å; H724-Y765 WeakPolarHBondContact CB-OH 3.31Å; E727-Y765 WeakPolarHBondContact OE2-CE1 3.45Å; E727-Y765 PolarHBondContact OE2-OH 3.13Å; H762-Y765 WeakPolarHBondContact O-CB 3.45Å; H762-Y765 PolarHBondContact O-N 3.14Å; Y765-D773 HydrophobicContact CD2-CB 3.97Å; Y765-D773 HydrophobicContact CE2-CB 3.9Å
766	N	63	Low	77	Confident	88 Å²	88	70.8 Å²	70.8	47%	0.471	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-138.3	123.1	175.3	-176	-9.5	0	0	0	109.9	R764 A768 V769 V770	R764-N766 PolarHBondContact O-N 2.81Å; N766-A768 PolarHBondContact O-N 3.12Å; N766-A768 PolarHBondContact OD1-N 3.22Å; N766-A768 VanDerWaalsContact OD1-N 3.11Å; N766-V769 PolarHBondContact O-N 3.18Å; N766-V770 PolarHBondContact O-N 3.43Å
767	R	57.5	Low	77	Confident	177 Å²	177	70.4 Å²	70.4	67%	0.668	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.1	-177.5	-171.7	174.4	178.7	162.4	0.7	114.1	E727	E727-R767 WeakPolarHBondContact OE1-CD 3.08Å; E727-R767 IonicContact OE1-NH1 3.53Å
768	A	46.7	Very low	77.2	Confident	74 Å²	74	64.6 Å²	64.6	61%	0.612	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-30.4	-177.3	0	0	0	0	0	113.7	N766	N766-A768 PolarHBondContact O-N 3.12Å; N766-A768 PolarHBondContact OD1-N 3.22Å; N766-A768 VanDerWaalsContact OD1-N 3.11Å
769	V	53	Low	77.4	Confident	90 Å²	90	63 Å²	63	55%	0.545	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-20.1	-177.3	-167.7	0	0	0	0	111.4	N766 D771	N766-V769 PolarHBondContact O-N 3.18Å; V769-D771 HydrophobicContact CG1-CB 4.23Å; V769-D771 VanDerWaalsContact CG1-OD2 3.32Å; V769-D771 WeakPolarHBondContact CG1-OD2 3.49Å; V769-D771 PolarHBondContact O-N 3.41Å
770	V	62.7	Low	77.5	Confident	94 Å²	94	64.8 Å²	64.8	57%	0.57	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.2	-174.2	-158	0	0	0	0	112.3	N766 D773	N766-V770 PolarHBondContact O-N 3.43Å; V770-D773 HydrophobicContact CG1-CB 4.46Å
771	D	71.8	Confident	77.5	Confident	92 Å²	92	63.1 Å²	63.1	49%	0.492	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-83.7	145.6	172.3	-80.7	-22.2	0	0	0	110.5	V769 D773	V769-D771 HydrophobicContact CG1-CB 4.23Å; V769-D771 VanDerWaalsContact CG1-OD2 3.32Å; V769-D771 WeakPolarHBondContact CG1-OD2 3.49Å; V769-D771 PolarHBondContact O-N 3.41Å; D771-D773 VanDerWaalsContact C-N 3.29Å; D771-D773 PolarHBondContact O-N 2.92Å
772	Y	79.9	Confident	77.5	Confident	103 Å²	103	65.1 Å²	65.1	40%	0.404	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	34.4	-179.9	-51.3	-85.1	0	0	0	114.9	H762 R764 I774	H762-Y772 AromaticContact CE1-CD1 3.38Å; H762-Y772 WeakPolarHBondContact CE1-CD1 3.4Å; H762-Y772 AromaticContact CE1-CG 3.71Å; H762-Y772 WeakPolarHBondContact ND1-CB 3.48Å; H762-Y772 AromaticContact ND1-CD1 3.93Å; H762-Y772 AromaticContact ND1-CG 3.81Å; H762-Y772 AromaticContact NE2-CD1 3.83Å; R764-Y772 HydrophobicContact CB-CD2 3.81Å; R764-Y772 HydrophobicContact CB-CE2 4.24Å; R764-Y772 HydrophobicContact CB-CG 4.06Å; Y772-I774 PolarHBondContact O-N 2.94Å
773	D	85.9	Confident	77.7	Confident	38 Å²	38	62.4 Å²	62.4	20%	0.203	33%	0.328	C	S	.	.			trans	-74.3	70.1	177.2	-170.8	19.3	0	0	0	112.6	A723 H724 Y765 V770 D771	A723-D773 WeakPolarHBondContact CA-OD1 3.45Å; A723-D773 WeakPolarHBondContact CB-OD1 3.32Å; A723-D773 PolarHBondContact N-OD1 3.39Å; H724-D773 IonicContact CE1-OD2 3.83Å; H724-D773 PolarHBondContact CE1-OD2 3.44Å; H724-D773 IonicContact CG-OD1 3.84Å; H724-D773 IonicContact CG-OD2 2.9Å; H724-D773 PolarHBondContact N-OD1 3.01Å; H724-D773 IonicContact ND1-OD1 3.09Å; H724-D773 PolarHBondContact ND1-OD1 3.47Å; H724-D773 IonicContact ND1-OD2 2.74Å; H724-D773 PolarHBondContact ND1-OD2 2.99Å; Y765-D773 HydrophobicContact CD2-CB 3.97Å; Y765-D773 HydrophobicContact CE2-CB 3.9Å; V770-D773 HydrophobicContact CG1-CB 4.46Å; D771-D773 VanDerWaalsContact C-N 3.29Å; D771-D773 PolarHBondContact O-N 2.92Å
774	I	89.9	Confident	78.2	Confident	75 Å²	75	64.8 Å²	64.8	39%	0.385	33%	0.332	S	S	.	.			trans	-141.6	140.2	-176.6	-165.8	170	0	0	0	110.9	L720 H762 Y772	L720-I774 HydrophobicContact CD1-CD1 4Å; L720-I774 HydrophobicContact CD1-CG1 3.89Å; H762-I774 HydrophobicContact CB-CG2 3.83Å; H762-I774 VanDerWaalsContact CB-O 3.29Å; H762-I774 WeakPolarHBondContact CB-O 3.5Å; H762-I774 PolarHBondContact N-O 3.28Å; Y772-I774 PolarHBondContact O-N 2.94Å
775	S	90.1	Very high	78.7	Confident	2 Å²	2	65 Å²	65	1%	0.014	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.3	175.8	64.6	0	0	0	0	111.3	T721 V722 F726 V760	T721-S775 CarbonylContact C-O 3.54Å; T721-S775 WeakPolarHBondContact CG2-OG 3.03Å; T721-S775 PolarHBondContact N-O 3.23Å; T721-S775 PolarHBondContact O-N 3.03Å; V722-S775 PolarHBondContact O-OG 3.45Å; F726-S775 VanDerWaalsContact CE2-OG 3.24Å; F726-S775 WeakPolarHBondContact CE2-OG 3.37Å; V760-S775 CarbonylContact O-C 3.56Å; V760-S775 VanDerWaalsContact O-CA 3.28Å; V760-S775 WeakPolarHBondContact O-CA 3.29Å; V760-S775 WeakPolarHBondContact O-CB 3.35Å
776	V	92.5	Very high	79.1	Confident	43 Å²	43	65.9 Å²	65.9	26%	0.261	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.1	179.9	-178.1	0	0	0	0	109.1	W718 L720 V760	W718-V776 HydrophobicContact CE3-CG1 3.53Å; W718-V776 HydrophobicContact CZ3-CG1 3.88Å; L720-V776 HydrophobicContact CD1-CG2 3.84Å; V760-V776 PolarHBondContact N-O 3.44Å; V760-V776 PolarHBondContact O-N 3.27Å
777	V	91.6	Very high	79.8	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.6	-177.2	-175.6	0	0	0	0	109.1	A719 T721 F726 V737 V756	A719-V777 HydrophobicContact CB-CB 4.41Å; A719-V777 PolarHBondContact N-O 3.23Å; A719-V777 PolarHBondContact O-N 3.38Å; T721-V777 HydrophobicContact CG2-CG2 3.81Å; F726-V777 HydrophobicContact CE2-CG2 3.83Å; F726-V777 HydrophobicContact CZ-CG2 3.5Å; V737-V777 HydrophobicContact CG2-CG1 4.44Å; V756-V777 HydrophobicContact CB-CG1 4.12Å; V756-V777 HydrophobicContact CG1-CG1 3.45Å; V756-V777 VanDerWaalsContact CG1-CG1 3.45Å; V756-V777 HydrophobicContact CG2-CG1 3.54Å
778	Q	89.8	Confident	80.9	Confident	42 Å²	42	57 Å²	57	20%	0.196	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.3	174	-166.8	-179.2	35.2	0	0	110	W718 R757 S758	W718-Q778 HydrophobicContact CD2-CG 4.48Å; W718-Q778 HydrophobicContact CE3-CB 4.01Å; W718-Q778 HydrophobicContact CE3-CG 4.22Å; W718-Q778 HydrophobicContact CH2-CB 4.09Å; W718-Q778 HydrophobicContact CH2-CG 3.91Å; W718-Q778 HydrophobicContact CZ2-CG 4.15Å; W718-Q778 HydrophobicContact CZ3-CB 3.68Å; W718-Q778 HydrophobicContact CZ3-CG 3.95Å; R757-Q778 PolarHBondContact N-O 2.82Å; S758-Q778 PolarHBondContact N-O 3.11Å; S758-Q778 PolarHBondContact O-N 3.33Å; S758-Q778 VanDerWaalsContact OG-CB 3.25Å; S758-Q778 WeakPolarHBondContact OG-CB 3.19Å; S758-Q778 PolarHBondContact OG-OE1 3.4Å
779	L	89.3	Confident	82.8	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	152	176.8	-53.1	177.9	0	0	0	111.1	L713 R717 V737 R754 V783	L713-L779 HydrophobicContact CD1-CD1 4.3Å; R717-L779 PolarHBondContact O-N 2.99Å; V737-L779 HydrophobicContact CB-CD2 3.83Å; V737-L779 HydrophobicContact CG1-CD2 4.31Å; V737-L779 HydrophobicContact CG2-CD2 3.76Å; R754-L779 HydrophobicContact CB-CB 4.37Å; R754-L779 HydrophobicContact CB-CD1 4.28Å; R754-L779 HydrophobicContact CB-CD2 4.17Å; R754-L779 HydrophobicContact CG-CD1 4.36Å; L779-V783 HydrophobicContact CD1-CG2 3.52Å
780	D	88.5	Confident	84.4	Confident	72 Å²	72	50.4 Å²	50.4	39%	0.385	26%	0.264	S	S	.	.	S	Bend	trans	-64	-39.5	176.6	68.3	-17.7	0	0	0	113.1	S755	S755-D780 WeakPolarHBondContact CB-OD2 3.03Å; S755-D780 PolarHBondContact N-OD1 2.87Å; S755-D780 PolarHBondContact O-N 3.21Å
781	S	85.5	Confident	85.6	Confident	47 Å²	47	46.1 Å²	46.1	33%	0.329	24%	0.238	S	C	.	.	S	Bend	trans	-139.5	160.6	-172.4	58.2	0	0	0	0	111.3	R754	R754-S781 WeakPolarHBondContact CD-OG 3.18Å; R754-S781 PolarHBondContact NE-OG 3.46Å
782	E	85.3	Confident	86.3	Confident	89 Å²	89	43.3 Å²	43.3	42%	0.416	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70.3	141	179.8	-72.7	-179.7	-160.5	0	0	111.8	R716 R717 R754	R716-E782 HydrophobicContact CB-CG 4.42Å; R717-E782 HydrophobicContact CG-CB 4.45Å; R717-E782 HydrophobicContact CG-CG 3.44Å; R717-E782 VanDerWaalsContact CG-CG 3.44Å; R717-E782 IonicContact CZ-OE1 3.31Å; R717-E782 IonicContact NE-OE1 3.91Å; R717-E782 PolarHBondContact NE-OE1 3.44Å; R717-E782 IonicContact NH2-OE1 3.85Å; R717-E782 PolarHBondContact NH2-OE1 2.84Å; R754-E782 PolarHBondContact NE-O 3.39Å; R754-E782 VanDerWaalsContact NE-O 3.07Å; R754-E782 PolarHBondContact NH2-O 2.81Å; R754-E782 VanDerWaalsContact NH2-O 3.17Å
783	V	86.6	Confident	86.5	Confident	5 Å²	5	41 Å²	41	3%	0.03	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-81.2	138.8	171.7	-179.6	0	0	0	0	109.5	L713 R716 L739 R754 L779 V789	L713-V783 HydrophobicContact CD1-CG2 4.35Å; L713-V783 HydrophobicContact CD2-CG1 4.44Å; R716-V783 WeakPolarHBondContact O-CG2 3.36Å; R716-V783 PolarHBondContact O-N 3.32Å; L739-V783 HydrophobicContact CD1-CG1 4.1Å; L739-V783 HydrophobicContact CD1-CG2 3.75Å; R754-V783 HydrophobicContact CG-CG2 3.89Å; L779-V783 HydrophobicContact CD1-CG2 3.52Å; V783-V789 HydrophobicContact CG1-CB 4.48Å; V783-V789 HydrophobicContact CG1-CG1 3.28Å
784	E	86.7	Confident	86.4	Confident	134 Å²	134	43.2 Å²	43.2	63%	0.626	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-80.6	122.7	175.3	-61.8	-174.8	171.9	0	0	109.9	Q752 T786	Q752-E784 PolarHBondContact NE2-O 3.09Å; Q752-E784 PolarHBondContact OE1-O 2.93Å; E784-T786 PolarHBondContact O-N 3.26Å
785	E	82.2	Confident	85.8	Confident	63 Å²	63	44.2 Å²	44.2	29%	0.294	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-74.5	117.3	179.1	-74.1	175.1	-175.6	0	0	110.4	R716 V789	R716-E785 HydrophobicContact CG-CG 4.43Å; R716-E785 WeakPolarHBondContact CG-OE1 3.32Å; R716-E785 IonicContact CZ-OE1 2.72Å; R716-E785 IonicContact CZ-OE2 3.09Å; R716-E785 IonicContact NE-OE1 3.86Å; R716-E785 PolarHBondContact NE-OE1 3.23Å; R716-E785 IonicContact NE-OE2 3.55Å; R716-E785 IonicContact NH2-OE1 2.7Å; R716-E785 PolarHBondContact NH2-OE1 3.48Å; R716-E785 IonicContact NH2-OE2 3.82Å; R716-E785 PolarHBondContact NH2-OE2 2.59Å; E785-V789 WeakPolarHBondContact CA-O 3.37Å
786	T	82.3	Confident	84.9	Confident	52 Å²	52	53.4 Å²	53.4	32%	0.319	28%	0.28	S	S	.	.			trans	-125.7	-179.5	178.9	66.7	0	0	0	0	110.5	E784 H788 V789 R790	E784-T786 PolarHBondContact O-N 3.26Å; T786-H788 PolarHBondContact O-N 3.13Å; T786-H788 VanDerWaalsContact O-N 3.15Å; T786-H788 PolarHBondContact OG1-N 3.24Å; T786-V789 PolarHBondContact N-O 3.27Å; T786-V789 PolarHBondContact O-N 2.8Å; T786-V789 PolarHBondContact OG1-N 2.95Å; T786-R790 WeakPolarHBondContact O-CG 3.27Å
787	A	78.4	Confident	83.3	Confident	39 Å²	39	58 Å²	58	32%	0.322	31%	0.31	S	S	.	.	S	Bend	trans	-61.9	-20	173.5	0	0	0	0	0	113.5	P673 A674	P673-A787 HydrophobicContact CG-CB 4.26Å; A674-A787 HydrophobicContact CB-CB 4.43Å
788	H	80.5	Confident	82	Confident	40 Å²	40	61.9 Å²	61.9	19%	0.185	35%	0.351	C	S	.	.	S	Bend	trans	-109	-10.8	-175.2	-56.3	90.2	0	0	0	113.5	P695 H750 T786	P695-H788 WeakPolarHBondContact CA-O 3.32Å; P695-H788 VanDerWaalsContact CB-C 3.48Å; P695-H788 WeakPolarHBondContact CB-O 3.3Å; H750-H788 HydrophobicContact CB-CB 4.43Å; H750-H788 AromaticContact CD2-CE1 3.55Å; H750-H788 AromaticContact CD2-ND1 3.83Å; H750-H788 AromaticContact CG-ND1 3.83Å; T786-H788 PolarHBondContact O-N 3.13Å; T786-H788 VanDerWaalsContact O-N 3.15Å; T786-H788 PolarHBondContact OG1-N 3.24Å
789	V	86.6	Confident	81.1	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	37%	0.368	C	S	.	.			trans	-135.2	106.9	-176.5	-174.6	0	0	0	0	109.6	P695 L713 L739 V783 E785 T786	P695-V789 VanDerWaalsContact O-CA 3.31Å; P695-V789 WeakPolarHBondContact O-CA 3.28Å; L713-V789 HydrophobicContact CD2-CG1 4.26Å; L739-V789 HydrophobicContact CB-CG1 3.89Å; L739-V789 HydrophobicContact CB-CG2 4.06Å; L739-V789 HydrophobicContact CD2-CG1 4.05Å; L739-V789 HydrophobicContact CG-CG1 4.44Å; V783-V789 HydrophobicContact CG1-CB 4.48Å; V783-V789 HydrophobicContact CG1-CG1 3.28Å; E785-V789 WeakPolarHBondContact CA-O 3.37Å; T786-V789 PolarHBondContact N-O 3.27Å; T786-V789 PolarHBondContact O-N 2.8Å; T786-V789 PolarHBondContact OG1-N 2.95Å
790	R	85.9	Confident	80.3	Confident	25 Å²	25	72.6 Å²	72.6	9%	0.094	41%	0.405	C	S	.	.			trans	-152.9	149.2	-177.8	-62.5	-171	69.3	153.6	4.3	111.4	E668 P695 W696 T786	E668-R790 PolarHBondContact O-NH2 2.9Å; E668-R790 IonicContact OE2-CZ 3.16Å; E668-R790 IonicContact OE2-NH1 3.95Å; E668-R790 IonicContact OE2-NH2 3.39Å; E668-R790 PolarHBondContact OE2-NH2 3.4Å; P695-R790 CarbonylContact C-O 3.23Å; P695-R790 HydrophobicContact CB-CB 4.09Å; P695-R790 HydrophobicContact CB-CG 4.36Å; P695-R790 HydrophobicContact CG-CB 4.14Å; P695-R790 PolarHBondContact O-N 2.96Å; W696-R790 WeakPolarHBondContact CA-O 2.98Å; W696-R790 VanDerWaalsContact CB-O 3.25Å; W696-R790 WeakPolarHBondContact CB-O 3.42Å; W696-R790 PolarHBondContact N-O 3.43Å; T786-R790 WeakPolarHBondContact O-CG 3.27Å
791	P	87.4	Confident	79.7	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.026	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-74.3	148.6	179.9	29.3	-34.3	0	0	0	113.3	C669 G670 L713	C669-P791 CarbonylContact C-O 3.56Å; C669-P791 VanDerWaalsContact CA-O 3.27Å; C669-P791 WeakPolarHBondContact CA-O 3.49Å; C669-P791 HydrophobicContact CB-CG 4.37Å; C669-P791 WeakPolarHBondContact CB-O 3.27Å; G670-P791 PolarHBondContact N-O 2.86Å; L713-P791 HydrophobicContact CG-CB 4.5Å; L713-P791 CarbonylContact O-C 3.44Å; L713-P791 VanDerWaalsContact O-CA 3.26Å; L713-P791 WeakPolarHBondContact O-CA 2.94Å
792	V	87.9	Confident	79.3	Confident	33 Å²	33	76.7 Å²	76.7	20%	0.2	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-82.7	156.1	170.8	77.2	0	0	0	0	111.1	W696 V712 L713 I714	W696-V792 HydrophobicContact CB-CB 3.83Å; W696-V792 HydrophobicContact CD2-CB 3.89Å; W696-V792 HydrophobicContact CD2-CG2 3.92Å; W696-V792 HydrophobicContact CE3-CB 4.26Å; W696-V792 HydrophobicContact CE3-CG2 4.33Å; W696-V792 HydrophobicContact CG-CB 3.71Å; W696-V792 HydrophobicContact CG-CG2 4.11Å; V712-V792 HydrophobicContact CG1-CB 4.08Å; V712-V792 HydrophobicContact CG1-CG1 3.44Å; V712-V792 VanDerWaalsContact CG1-CG1 3.44Å; L713-V792 PolarHBondContact O-N 3.21Å; I714-V792 HydrophobicContact CG2-CG1 4.17Å
793	C	83.6	Confident	78.5	Confident	54 Å²	54	77.9 Å²	77.9	37%	0.365	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-86.9	133.7	172.8	-56.9	0	0	0	0	111.6	C669	C669-C793 HydrophobicContact CB-CB 4.2Å; C669-C793 WeakPolarHBondContact CB-SG 3.1Å; C669-C793 PolarHBondContact O-SG 3.19Å; C669-C793 VanDerWaalsContact SG-CA 3.51Å; C669-C793 WeakPolarHBondContact SG-CB 3.4Å; C669-C793 CovalentContact SG-SG 2.06Å; C669-C793 PolarHBondContact SG-SG 2.9Å
794	L	82.9	Confident	77.3	Confident	85 Å²	85	82.3 Å²	82.3	45%	0.445	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-77.5	148.6	166.8	-63.2	176.4	0	0	0	111.7	I714	I714-L794 HydrophobicContact CG2-CD2 4.08Å
795	P	77.6	Confident	76.5	Confident	97 Å²	97	78.5 Å²	78.5	63%	0.63	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-61.9	155.1	176	26.1	-33.8	0	0	0	111.8
796	R	71.7	Confident	75.8	Confident	195 Å²	195	80.2 Å²	80.2	74%	0.736	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-75.4	151.6	175.6	-64.1	-179.5	-177.3	178.1	2.1	110.3	G798 Q799	R796-G798 PolarHBondContact O-N 2.58Å; R796-Q799 HydrophobicContact CB-CB 4.22Å; R796-Q799 VanDerWaalsContact O-CB 3.26Å; R796-Q799 WeakPolarHBondContact O-CB 3Å; R796-Q799 PolarHBondContact O-N 3.3Å
797	P	59.3	Low	75.5	Confident	139 Å²	139	82.6 Å²	82.6	90%	0.903	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	125.9	173	-25.1	34.1	0	0	0	111.1	Q799	P797-Q799 VanDerWaalsContact C-N 3.35Å
798	G	63.2	Low	75.4	Confident	83 Å²	83	86.2 Å²	86.2	86%	0.856	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	0.8	-177.8	0	0	0	0	0	115.9	R796 L800	R796-G798 PolarHBondContact O-N 2.58Å; G798-L800 PolarHBondContact O-N 3.2Å
799	Q	71.3	Confident	75.4	Confident	119 Å²	119	92.3 Å²	92.3	56%	0.556	52%	0.52	S	S	*	.			trans	-87.2	99.1	174.5	-173.7	-178.6	-1	0	0	110.2	R796 P797	R796-Q799 HydrophobicContact CB-CB 4.22Å; R796-Q799 VanDerWaalsContact O-CB 3.26Å; R796-Q799 WeakPolarHBondContact O-CB 3Å; R796-Q799 PolarHBondContact O-N 3.3Å; P797-Q799 VanDerWaalsContact C-N 3.35Å
800	L	73.3	Confident	75.3	Confident	149 Å²	149	94.5 Å²	94.5	78%	0.78	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-89.5	146	173.8	-66	170.8	0	0	0	110.7	G798 T802	G798-L800 PolarHBondContact O-N 3.2Å; L800-T802 PolarHBondContact O-N 2.65Å
801	P	75.4	Confident	75.1	Confident	106 Å²	106	95.8 Å²	95.8	69%	0.688	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-61.9	135.8	170.1	26.3	-31.6	0	0	0	109.5
802	T	77	Confident	74.6	Confident	99 Å²	99	98.3 Å²	98.3	61%	0.607	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-75	136.6	174.4	49.5	0	0	0	0	109.3	L800 S805	L800-T802 PolarHBondContact O-N 2.65Å; T802-S805 WeakPolarHBondContact O-CB 3.12Å; T802-S805 PolarHBondContact O-N 2.61Å; T802-S805 PolarHBondContact O-OG 2.93Å; T802-S805 VanDerWaalsContact O-OG 3.08Å
803	P	67.9	Low	73.6	Confident	114 Å²	114	99.6 Å²	99.6	74%	0.74	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.8	144.3	170.5	-24.4	33.4	0	0	0	111	S805	P803-S805 VanDerWaalsContact C-N 3.3Å; P803-S805 PolarHBondContact O-N 3.41Å
804	D	62.9	Low	72.2	Confident	99 Å²	99	105.7 Å²	105.7	53%	0.529	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	66.9	20.2	179.8	-42.2	-43	0	0	0	115.7	K159	K159-D804 IonicContact NZ-OD2 3.59Å; K159-D804 PolarHBondContact NZ-OD2 3.26Å
805	S	69.5	Low	70.6	Confident	54 Å²	54	108.5 Å²	108.5	38%	0.378	62%	0.619	S	S	.	*			trans	-84.3	130.8	170.1	66.8	0	0	0	0	111.9	T802 P803 C807	T802-S805 WeakPolarHBondContact O-CB 3.12Å; T802-S805 PolarHBondContact O-N 2.61Å; T802-S805 PolarHBondContact O-OG 2.93Å; T802-S805 VanDerWaalsContact O-OG 3.08Å; P803-S805 VanDerWaalsContact C-N 3.3Å; P803-S805 PolarHBondContact O-N 3.41Å; S805-C807 PolarHBondContact O-N 3.44Å
806	Y	66.6	Low	68.4	Low	99 Å²	99	106.6 Å²	106.6	39%	0.388	62%	0.616	S	S	.	*			trans	-70.5	121.8	173.6	-66.7	-75.4	0	0	0	112.1	N163 Y165 D167	N163-Y806 PolarHBondContact ND2-OH 3.45Å; Y165-Y806 AromaticContact CD1-CD1 3.49Å; Y165-Y806 HydrophobicContact CD1-CD1 3.49Å; Y165-Y806 VanDerWaalsContact CD1-CD1 3.49Å; Y165-Y806 HydrophobicContact CD1-CD2 4.32Å; Y165-Y806 AromaticContact CD1-CE1 3.18Å; Y165-Y806 HydrophobicContact CD1-CE1 3.18Å; Y165-Y806 HydrophobicContact CD1-CE2 4.05Å; Y165-Y806 HydrophobicContact CD1-CG 4.06Å; Y165-Y806 AromaticContact CD1-CZ 3.48Å; Y165-Y806 VanDerWaalsContact CD1-CZ 3.48Å; Y165-Y806 AromaticContact CE1-CD1 3.64Å; Y165-Y806 HydrophobicContact CE1-CD1 3.64Å; Y165-Y806 HydrophobicContact CE1-CD2 4.11Å; Y165-Y806 AromaticContact CE1-CE1 3.82Å; Y165-Y806 HydrophobicContact CE1-CE1 3.82Å; Y165-Y806 HydrophobicContact CE1-CE2 4.24Å; Y165-Y806 AromaticContact CE1-CG 3.8Å; Y165-Y806 HydrophobicContact CE1-CG 3.8Å; Y165-Y806 AromaticContact CG-CE1 3.88Å; Y165-Y806 HydrophobicContact CG-CE1 3.88Å; Y165-Y806 HydrophobicContact CG-CE2 4.38Å; Y165-Y806 AromaticContact CG-CZ 3.77Å; D167-Y806 PolarHBondContact OD1-OH 2.93Å; D167-Y806 PolarHBondContact OD2-OH 3.3Å
807	C	75.6	Confident	66.5	Low	101 Å²	101	105.4 Å²	105.4	68%	0.682	63%	0.625	S	S	*	*			trans	-113.1	165.8	173.6	-68.3	0	0	0	0	110.2	S805	S805-C807 PolarHBondContact O-N 3.44Å
808	Y	77.2	Confident	65.1	Low	116 Å²	116	112.6 Å²	112.6	46%	0.455	63%	0.634	S	S	.	*			trans	-118.1	139.6	176.6	-59.5	-89.2	0	0	0	109.4	W694	W694-Y808 AromaticContact CH2-CD1 3.91Å; W694-Y808 HydrophobicContact CH2-CD1 3.91Å; W694-Y808 AromaticContact CH2-CD2 3.68Å; W694-Y808 HydrophobicContact CH2-CD2 3.68Å; W694-Y808 HydrophobicContact CH2-CE2 4.42Å; W694-Y808 AromaticContact CH2-CG 3.36Å; W694-Y808 HydrophobicContact CH2-CG 3.36Å; W694-Y808 HydrophobicContact CZ2-CD1 4.07Å; W694-Y808 AromaticContact CZ2-CG 3.98Å; W694-Y808 HydrophobicContact CZ2-CG 3.98Å; W694-Y808 HydrophobicContact CZ3-CD2 4.45Å; W694-Y808 HydrophobicContact CZ3-CG 4.3Å
809	I	81.3	Confident	65.2	Low	167 Å²	167	114.1 Å²	114.1	86%	0.856	62%	0.623	S	S	*	*			trans	-120.5	136.3	175.9	-56.6	173.5	0	0	0	107.4
810	T	83.1	Confident	64.8	Low	46 Å²	46	113.8 Å²	113.8	28%	0.282	63%	0.626	S	S	.	*			trans	-135.1	141.9	-178.7	48.6	0	0	0	0	109.8	W694 Q697	W694-T810 HydrophobicContact CB-CG2 4.5Å; W694-T810 HydrophobicContact CD2-CG2 3.76Å; W694-T810 HydrophobicContact CE3-CG2 4.38Å; W694-T810 HydrophobicContact CG-CG2 3.75Å; W694-T810 HydrophobicContact CZ2-CG2 4.47Å; Q697-T810 PolarHBondContact OE1-O 2.03Å; Q697-T810 PolarHBondContact OE1-OG1 3.27Å
811	G	82.5	Confident	64.4	Low	52 Å²	52	111.9 Å²	111.9	54%	0.536	62%	0.618	S	S	.	*			trans	175.9	174.1	179.4	0	0	0	0	0	111.3
812	W	77.5	Confident	63.7	Low	58 Å²	58	112.2 Å²	112.2	22%	0.22	61%	0.614	C	S	.	*			trans	-112.3	31.3	178.9	-61	-89	0	0	0	111.8	Q697 H707 L741 T742 L744	Q697-W812 HydrophobicContact CG-CH2 3.49Å; Q697-W812 VanDerWaalsContact CG-CH2 3.49Å; Q697-W812 HydrophobicContact CG-CZ2 4.37Å; Q697-W812 HydrophobicContact CG-CZ3 3.59Å; H707-W812 AromaticContact CE1-CE3 3.69Å; L741-W812 HydrophobicContact CB-CH2 4.49Å; L741-W812 HydrophobicContact CB-CZ2 4.06Å; T742-W812 PolarHBondContact O-NE1 3.13Å; T742-W812 VanDerWaalsContact O-NE1 3.08Å; L744-W812 HydrophobicContact CD1-CB 3.52Å; L744-W812 HydrophobicContact CD1-CG 3.78Å; L744-W812 HydrophobicContact CD2-CD2 4.03Å; L744-W812 HydrophobicContact CD2-CE3 4.48Å; L744-W812 HydrophobicContact CD2-CG 4.05Å; L744-W812 HydrophobicContact CG-CB 4.08Å; L744-W812 HydrophobicContact CG-CD2 4.23Å; L744-W812 HydrophobicContact CG-CG 3.75Å
813	G	66.3	Low	62.9	Low	60 Å²	60	113.1 Å²	113.1	62%	0.619	61%	0.614	S	S	*	*			trans	-70.6	161.3	177.6	0	0	0	0	0	112.4	M815	G813-M815 PolarHBondContact O-N 3.37Å
814	H	54.8	Low	62.6	Low	182 Å²	182	113 Å²	113	84%	0.843	61%	0.606	S	S	*	*			trans	-58.8	121	-179.8	-156.6	-54.3	0	0	0	110.7	G816	H814-G816 PolarHBondContact O-N 3.3Å
815	M	48.5	Very low	62.5	Low	143 Å²	143	114 Å²	114	70%	0.704	61%	0.611	S	S	*	*			trans	-76.2	102	166.7	-60.5	-154.2	-70.7	0	0	105.9	G813	G813-M815 PolarHBondContact O-N 3.37Å
816	G	32.6	Very low	62	Low	57 Å²	57	118.6 Å²	118.6	59%	0.588	63%	0.629	S	S	*	*			trans	-56.2	144.7	178.5	0	0	0	0	0	110.7	H814 R818	H814-G816 PolarHBondContact O-N 3.3Å; G816-R818 PolarHBondContact O-N 2.76Å; G816-R818 VanDerWaalsContact O-N 3.11Å
817	N	31.3	Very low	61.6	Low	170 Å²	170	120.3 Å²	120.3	91%	0.909	65%	0.649	S	S	*	*			trans	-59.6	116.5	168	-83.5	-9.9	0	0	0	107.9
818	R	28.9	Very low	60.4	Low	291 Å²	291	122 Å²	122	100%	1.098	65%	0.646	S	S	*	*			trans	-79.9	0	168.3	-91.9	-176.4	168.9	-174.8	-6.4	110.1	G816	G816-R818 PolarHBondContact O-N 2.76Å; G816-R818 VanDerWaalsContact O-N 3.11Å

Retrieved 818 of 818 residues in 251.6 ms (Link to these results)

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