A0A087WSW2_HUMAN Loading...

Zinc finger protein 43

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WSW2, Species HUMAN (Homo sapiens, Human), Gene ZNF43, Length 818 aa.

						>A0A087WSW2_HUMAN|A0A087WSW2|ZNF43
MPGHPGSWEMGPLTFMDVAIEFCLEEWQCLDIAQQNLYRNVMLENYRNLVFLGIAVSKPDLITCLEQEKEPWEPMRRHEMVAKPPVMCSHFTQDFWPEQHIKDPFQKATLRRYKNCEHKNVHLKKDHKSVDECKVHRGGYNGFNQCLPATQSKIFLFDKCVKAFHKFSNSNRHKISHTEKKLFKCKECGKSFCMLPHLAQHKIIHTRVNFCKCEKCGKAFNCPSIITKHKRINTGEKPYTCEECGKVFNWSSRLTTHKKNYTRYKLYKCEECGKAFNKSSILTTHKIIRTGEKFYKCKECAKAFNQSSNLTEHKKIHPGEKPYKCEECGKAFNWPSTLTKHKRIHTGEKPYTCEECGKAFNQFSNLTTHKRIHTAEKFYKCTECGEAFSRSSNLTKHKKIHTEKKPYKCEECGKAFKWSSKLTEHKLTHTGEKPYKCEECGKAFNWPSTLTKHNRIHTGEKPYKCEVCGKAFNQFSNLTTHKRIHTAEKPYKCEECGKAFSRSSNLTKHKKIHIEKKPYKCEECGKAFKWSSKLTEHKITHTGEKPYKCEECGKAFNHFSILTKHKRIHTGEKPYKCEECGKAFTQSSNLTTHKKIHTGEKFYKCEECGKAFTQSSNLTTHKKIHTGGKPYKCEECGKAFNQFSTLTKHKIIHTEEKPYKCEECGKAFKWSSTLTKHKIIHTGEKPYKCEECGKAFKLSSTLSTHKIIHTGEKPYKCEKCGKAFNRSSNLIEHKKIHTGEQPYKCEECGKAFNYSSHLNTHKRIHTKEQPYKCKECGKAFNQYSNLTTHNKIHTGEKLYKPEDVTVILTTPQTFSNIK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	36.4	Very low	242 Å²	242	147.9 Å²	147.9	100%	1.192	85%	0.854	S	S	*	*				0	118.4	0	-77.5	-163.4	148.1	0	0	110
2	P	34.3	Very low	38.1	Very low	132 Å²	132	145.8 Å²	145.8	86%	0.857	85%	0.85	S	S	*	*			trans	-122.8	140.6	156.5	20.8	-1	0	0	0	111.6
3	G	31	Very low	39.7	Very low	80 Å²	80	141.8 Å²	141.8	83%	0.825	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.5	157.8	-170.4	0	0	0	0	0	116.6
4	H	36	Very low	41.8	Very low	191 Å²	191	136.7 Å²	136.7	88%	0.884	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.8	142	175.6	-108.1	-82.4	0	0	0	113.3
5	P	40.1	Very low	43.7	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-94.8	137.5	153.4	3.6	16	0	0	0	111
6	G	31.5	Very low	45.1	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-80.9	165.2	-162.2	0	0	0	0	0	118.8
7	S	32.8	Very low	46.4	Very low	107 Å²	107	125.2 Å²	125.2	75%	0.748	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-73.4	141.3	173.1	50.4	0	0	0	0	112.2
8	W	31.2	Very low	47.6	Very low	251 Å²	251	120.9 Å²	120.9	95%	0.951	70%	0.695	S	S	*	*			trans	-102.4	108	163.9	-70.7	45.5	0	0	0	106.9
9	E	35.4	Very low	48.6	Very low	184 Å²	184	115.6 Å²	115.6	86%	0.86	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-76.4	124.9	169.2	-73.7	-179.5	155.1	0	0	109
10	M	39.4	Very low	49.5	Very low	185 Å²	185	114.5 Å²	114.5	91%	0.911	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-87.1	128.9	167.1	-76.4	-165.1	-71.9	0	0	108.8
11	G	46.7	Very low	50.1	Low	67 Å²	67	115.4 Å²	115.4	69%	0.691	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-64.6	164.2	175.6	0	0	0	0	0	113.4
12	P	57.5	Low	50.8	Low	123 Å²	123	107.2 Å²	107.2	80%	0.799	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-66.3	137	-177.1	26.1	-32.1	0	0	0	111.7
13	L	59	Low	51.7	Low	93 Å²	93	103.5 Å²	103.5	49%	0.487	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-63.7	132.1	-179.8	-154	98.9	0	0	0	110.2	D17 V18 L49 I54	L13-D17 HydrophobicContact CG-CB 4.43Å; L13-V18 HydrophobicContact CD2-CG1 4.05Å; L13-L49 HydrophobicContact CD2-CD2 3.94Å; L13-I54 HydrophobicContact CB-CG2 4.48Å; L13-I54 WeakPolarHBondContact O-CG2 3.23Å
14	T	68.6	Low	52.5	Low	71 Å²	71	102.7 Å²	102.7	44%	0.436	57%	0.567	S	S	.	*			trans	-111.4	165.2	178.1	70.5	0	0	0	0	111.6	M16 D17	T14-M16 PolarHBondContact O-N 2.96Å; T14-D17 WeakPolarHBondContact CA-OD2 3.2Å; T14-D17 WeakPolarHBondContact CB-OD2 3.42Å; T14-D17 PolarHBondContact N-OD2 3.33Å; T14-D17 WeakPolarHBondContact O-CB 2.9Å; T14-D17 PolarHBondContact O-N 3.48Å; T14-D17 VanDerWaalsContact O-N 3.1Å; T14-D17 PolarHBondContact OG1-OD2 3.15Å
15	F	69.8	Low	53.2	Low	13 Å²	13	99.4 Å²	99.4	6%	0.057	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-59.7	-33.3	175	180	-100.1	0	0	0	112.1	D17 V18 A19 N45 Y46 L49 P59 I62	F15-D17 PolarHBondContact O-N 3.15Å; F15-V18 HydrophobicContact CD2-CG2 4.32Å; F15-V18 CarbonylContact O-C 3.55Å; F15-V18 VanDerWaalsContact O-CG2 3.31Å; F15-V18 WeakPolarHBondContact O-CG2 3.39Å; F15-V18 PolarHBondContact O-N 3.36Å; F15-V18 VanDerWaalsContact O-N 3.08Å; F15-A19 HydrophobicContact CD1-CB 3.89Å; F15-A19 HydrophobicContact CE1-CB 3.5Å; F15-A19 VanDerWaalsContact CE1-CB 3.5Å; F15-A19 HydrophobicContact CZ-CB 3.88Å; F15-A19 VanDerWaalsContact O-CB 3.3Å; F15-A19 WeakPolarHBondContact O-CB 3.47Å; F15-A19 PolarHBondContact O-N 3.17Å; F15-N45 HydrophobicContact CE2-CB 4.46Å; F15-Y46 AromaticContact CD2-CD2 3.93Å; F15-Y46 HydrophobicContact CD2-CD2 3.93Å; F15-Y46 HydrophobicContact CD2-CG 4.44Å; F15-Y46 HydrophobicContact CE2-CD2 4.4Å; F15-Y46 HydrophobicContact CG-CD2 4.34Å; F15-L49 HydrophobicContact CB-CD1 4.09Å; F15-L49 HydrophobicContact CD2-CD1 3.93Å; F15-P59 HydrophobicContact CB-CG 4.02Å; F15-P59 HydrophobicContact CD1-CB 4.06Å; F15-P59 HydrophobicContact CD1-CG 3.57Å; F15-P59 HydrophobicContact CE1-CB 4.47Å; F15-P59 HydrophobicContact CE1-CG 4.3Å; F15-P59 HydrophobicContact CG-CG 3.9Å; F15-I62 HydrophobicContact CD1-CG1 4.48Å; F15-I62 HydrophobicContact CE1-CD1 4.03Å; F15-I62 HydrophobicContact CE1-CG1 3.81Å; F15-I62 HydrophobicContact CE2-CD1 3.81Å; F15-I62 HydrophobicContact CE2-CG1 4.09Å; F15-I62 HydrophobicContact CZ-CD1 3.37Å; F15-I62 HydrophobicContact CZ-CG1 3.63Å
16	M	66.9	Low	53.6	Low	95 Å²	95	98.8 Å²	98.8	47%	0.468	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-68	-20.9	177.7	-66.2	-41.9	-161.7	0	0	113.7	T14 V18 A19	T14-M16 PolarHBondContact O-N 2.96Å; M16-V18 PolarHBondContact O-N 3.27Å; M16-A19 HydrophobicContact SD-CB 4.17Å
17	D	67.3	Low	54.8	Low	106 Å²	106	95.7 Å²	95.7	57%	0.567	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-73.7	-16.8	174.5	-60.4	-56.6	0	0	0	112.6	L13 T14 F15	L13-D17 HydrophobicContact CG-CB 4.43Å; T14-D17 WeakPolarHBondContact CA-OD2 3.2Å; T14-D17 WeakPolarHBondContact CB-OD2 3.42Å; T14-D17 PolarHBondContact N-OD2 3.33Å; T14-D17 WeakPolarHBondContact O-CB 2.9Å; T14-D17 PolarHBondContact O-N 3.48Å; T14-D17 VanDerWaalsContact O-N 3.1Å; T14-D17 PolarHBondContact OG1-OD2 3.15Å; F15-D17 PolarHBondContact O-N 3.15Å
18	V	67.2	Low	55.8	Low	49 Å²	49	96.9 Å²	96.9	30%	0.297	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-3.9	-178.6	-59.3	0	0	0	0	113.8	L13 F15 M16 L49	L13-V18 HydrophobicContact CD2-CG1 4.05Å; F15-V18 HydrophobicContact CD2-CG2 4.32Å; F15-V18 CarbonylContact O-C 3.55Å; F15-V18 VanDerWaalsContact O-CG2 3.31Å; F15-V18 WeakPolarHBondContact O-CG2 3.39Å; F15-V18 PolarHBondContact O-N 3.36Å; F15-V18 VanDerWaalsContact O-N 3.08Å; M16-V18 PolarHBondContact O-N 3.27Å; V18-L49 HydrophobicContact CG2-CD1 3.45Å; V18-L49 VanDerWaalsContact CG2-CD1 3.45Å; V18-L49 HydrophobicContact CG2-CG 4.46Å
19	A	66.7	Low	56.9	Low	19 Å²	19	90.1 Å²	90.1	16%	0.157	49%	0.489	C	S	.	.			trans	-81.9	142.2	173.9	0	0	0	0	0	110.3	F15 M16 M42	F15-A19 HydrophobicContact CD1-CB 3.89Å; F15-A19 HydrophobicContact CE1-CB 3.5Å; F15-A19 VanDerWaalsContact CE1-CB 3.5Å; F15-A19 HydrophobicContact CZ-CB 3.88Å; F15-A19 VanDerWaalsContact O-CB 3.3Å; F15-A19 WeakPolarHBondContact O-CB 3.47Å; F15-A19 PolarHBondContact O-N 3.17Å; M16-A19 HydrophobicContact SD-CB 4.17Å; A19-M42 HydrophobicContact CB-SD 4.4Å
20	I	67.3	Low	57.7	Low	94 Å²	94	83.1 Å²	83.1	48%	0.482	46%	0.457	S	S	.	.			trans	-111.4	121.2	172.5	-62.4	174.4	0	0	0	105.7	Y38 M42	I20-Y38 HydrophobicContact CB-CE2 4.25Å; I20-Y38 WeakPolarHBondContact O-CE2 3.4Å; I20-Y38 PolarHBondContact O-OH 3.48Å; I20-M42 HydrophobicContact CB-CE 4.41Å; I20-M42 HydrophobicContact CG1-CE 4.42Å
21	E	60.9	Low	58.6	Low	134 Å²	134	78.3 Å²	78.3	63%	0.626	44%	0.435	S	S	*	.			trans	-98.4	141.6	177.8	-66.1	178.5	177.2	0	0	110	L61	E21-L61 HydrophobicContact CG-CD2 4.46Å
22	F	56.3	Low	59.5	Low	70 Å²	70	81.2 Å²	81.2	31%	0.307	43%	0.434	S	S	.	.			trans	-113.4	140.1	174.6	-75.2	-66.9	0	0	0	110.1	E26 W27 L30 Y38	F22-E26 HydrophobicContact CB-CB 4.44Å; F22-E26 HydrophobicContact CD1-CB 3.95Å; F22-W27 HydrophobicContact CB-CB 4.36Å; F22-W27 HydrophobicContact CB-CE3 3.99Å; F22-W27 AromaticContact CD2-CE3 3.65Å; F22-W27 HydrophobicContact CD2-CE3 3.65Å; F22-W27 AromaticContact CD2-CZ3 3.8Å; F22-W27 HydrophobicContact CD2-CZ3 3.8Å; F22-W27 HydrophobicContact CE2-CE3 4.47Å; F22-W27 HydrophobicContact CE2-CZ3 4.37Å; F22-W27 HydrophobicContact CG-CE3 4.12Å; F22-L30 HydrophobicContact CD1-CD1 4.47Å; F22-L30 HydrophobicContact CD2-CD1 4.04Å; F22-L30 HydrophobicContact CE1-CD1 4.19Å; F22-L30 HydrophobicContact CE2-CD1 3.7Å; F22-L30 HydrophobicContact CG-CD1 4.4Å; F22-L30 HydrophobicContact CZ-CD1 3.8Å; F22-Y38 AromaticContact CD2-CD2 3.88Å; F22-Y38 HydrophobicContact CD2-CD2 3.88Å; F22-Y38 AromaticContact CD2-CE2 3.66Å; F22-Y38 HydrophobicContact CD2-CE2 3.66Å; F22-Y38 HydrophobicContact CD2-CG 4.35Å; F22-Y38 AromaticContact CD2-CZ 3.99Å; F22-Y38 AromaticContact CE2-CD2 3.36Å; F22-Y38 HydrophobicContact CE2-CD2 3.36Å; F22-Y38 AromaticContact CE2-CE2 3.55Å; F22-Y38 HydrophobicContact CE2-CE2 3.55Å; F22-Y38 AromaticContact CE2-CG 3.96Å; F22-Y38 HydrophobicContact CE2-CG 3.96Å; F22-Y38 HydrophobicContact CZ-CD2 4.46Å
23	C	54.8	Low	59.6	Low	54 Å²	54	78.7 Å²	78.7	37%	0.365	42%	0.423	S	S	.	.			trans	-77.4	164.9	166.6	79.4	0	0	0	0	111.1	E25 E26 W27	C23-E25 VanDerWaalsContact C-N 3.27Å; C23-E25 PolarHBondContact O-N 3.34Å; C23-E25 PolarHBondContact SG-OE2 3.45Å; C23-E26 PolarHBondContact N-OE2 3.38Å; C23-E26 PolarHBondContact O-N 3.48Å; C23-E26 VanDerWaalsContact O-N 3.09Å; C23-E26 WeakPolarHBondContact SG-CG 3.46Å; C23-E26 PolarHBondContact SG-N 3.26Å; C23-W27 PolarHBondContact O-N 2.94Å
24	L	46.3	Very low	59.5	Low	62 Å²	62	78.3 Å²	78.3	33%	0.325	42%	0.419	S	S	.	.	H	α-helix	trans	-55.6	-43	-177.7	178	62.2	0	0	0	112.1	E26 W27 Q28 W72	L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.96Å; L24-W27 PolarHBondContact O-N 3.23Å; L24-Q28 HydrophobicContact CD1-CG 4.44Å; L24-Q28 WeakPolarHBondContact O-CG 3.46Å; L24-Q28 PolarHBondContact O-N 3.35Å; L24-W72 HydrophobicContact CD1-CD2 3.45Å; L24-W72 VanDerWaalsContact CD1-CD2 3.45Å; L24-W72 HydrophobicContact CD1-CE3 3.84Å; L24-W72 HydrophobicContact CD1-CG 3.8Å; L24-W72 HydrophobicContact CD1-CH2 3.94Å; L24-W72 HydrophobicContact CD1-CZ2 3.69Å; L24-W72 HydrophobicContact CD1-CZ3 4.05Å
25	E	51.3	Low	59.6	Low	123 Å²	123	76.3 Å²	76.3	58%	0.575	41%	0.405	S	S	*	.	H	α-helix	trans	-68.2	-34	-179.9	-57.8	78.4	-171.6	0	0	112.1	C23 C29	C23-E25 VanDerWaalsContact C-N 3.27Å; C23-E25 PolarHBondContact O-N 3.34Å; C23-E25 PolarHBondContact SG-OE2 3.45Å; E25-C29 PolarHBondContact O-N 3.03Å; E25-C29 PolarHBondContact O-SG 3.46Å
26	E	47.9	Very low	59.5	Low	106 Å²	106	79.2 Å²	79.2	50%	0.495	42%	0.421	S	S	.	.	H	α-helix	trans	-74.8	-39.7	176.6	-74.3	173.1	160.4	0	0	111.5	F22 C23 L24 C29 L30	F22-E26 HydrophobicContact CB-CB 4.44Å; F22-E26 HydrophobicContact CD1-CB 3.95Å; C23-E26 PolarHBondContact N-OE2 3.38Å; C23-E26 PolarHBondContact O-N 3.48Å; C23-E26 VanDerWaalsContact O-N 3.09Å; C23-E26 WeakPolarHBondContact SG-CG 3.46Å; C23-E26 PolarHBondContact SG-N 3.26Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-E26 PolarHBondContact O-N 2.96Å; E26-C29 WeakPolarHBondContact O-CB 3.16Å; E26-C29 PolarHBondContact O-N 3.47Å; E26-L30 PolarHBondContact O-N 2.81Å
27	W	56.7	Low	59.7	Low	3 Å²	3	80 Å²	80	1%	0.011	43%	0.426	C	S	.	.	H	α-helix	trans	-65.2	-39.6	177.9	-171.8	-88.7	0	0	0	112.4	F22 C23 L24 C29 L30 Q35 Y38 P71 W72	F22-W27 HydrophobicContact CB-CB 4.36Å; F22-W27 HydrophobicContact CB-CE3 3.99Å; F22-W27 AromaticContact CD2-CE3 3.65Å; F22-W27 HydrophobicContact CD2-CE3 3.65Å; F22-W27 AromaticContact CD2-CZ3 3.8Å; F22-W27 HydrophobicContact CD2-CZ3 3.8Å; F22-W27 HydrophobicContact CE2-CE3 4.47Å; F22-W27 HydrophobicContact CE2-CZ3 4.37Å; F22-W27 HydrophobicContact CG-CE3 4.12Å; C23-W27 PolarHBondContact O-N 2.94Å; L24-W27 PolarHBondContact O-N 3.23Å; W27-C29 PolarHBondContact O-N 3.3Å; W27-L30 HydrophobicContact CE3-CD1 4.06Å; W27-L30 HydrophobicContact CZ3-CD1 4.37Å; W27-L30 WeakPolarHBondContact O-CB 3.45Å; W27-L30 PolarHBondContact O-N 3.38Å; W27-L30 VanDerWaalsContact O-N 3.13Å; W27-Q35 HydrophobicContact CD2-CG 4.37Å; W27-Q35 HydrophobicContact CH2-CB 4.12Å; W27-Q35 HydrophobicContact CH2-CG 4.27Å; W27-Q35 HydrophobicContact CZ2-CB 3.78Å; W27-Q35 HydrophobicContact CZ2-CG 3.77Å; W27-Q35 PolarHBondContact O-NE2 3.27Å; W27-Y38 AromaticContact CH2-CD1 3.41Å; W27-Y38 HydrophobicContact CH2-CD1 3.41Å; W27-Y38 VanDerWaalsContact CH2-CD1 3.41Å; W27-Y38 AromaticContact CH2-CE1 3.9Å; W27-Y38 HydrophobicContact CH2-CE1 3.9Å; W27-Y38 HydrophobicContact CH2-CG 4.17Å; W27-Y38 AromaticContact CZ3-CD1 3.25Å; W27-Y38 HydrophobicContact CZ3-CD1 3.25Å; W27-Y38 AromaticContact CZ3-CE1 3.5Å; W27-Y38 HydrophobicContact CZ3-CE1 3.5Å; W27-Y38 AromaticContact CZ3-CG 3.79Å; W27-Y38 HydrophobicContact CZ3-CG 3.79Å; W27-P71 HydrophobicContact CD2-CG 3.98Å; W27-P71 HydrophobicContact CE3-CG 3.97Å; W27-P71 HydrophobicContact CH2-CG 3.82Å; W27-P71 HydrophobicContact CZ2-CG 3.82Å; W27-P71 HydrophobicContact CZ3-CG 3.9Å; W27-W72 AromaticContact CD1-CE3 3.84Å; W27-W72 AromaticContact CD1-CZ3 3.3Å; W27-W72 HydrophobicContact CG-CE3 4.17Å; W27-W72 HydrophobicContact CG-CZ3 4.06Å; W27-W72 AromaticContact NE1-CZ3 3.69Å
28	Q	55.6	Low	60.3	Low	133 Å²	133	75.9 Å²	75.9	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-68.1	-20.1	175.1	-73.3	179.5	-1.8	0	0	113.4	L24 L30	L24-Q28 HydrophobicContact CD1-CG 4.44Å; L24-Q28 WeakPolarHBondContact O-CG 3.46Å; L24-Q28 PolarHBondContact O-N 3.35Å; Q28-L30 VanDerWaalsContact C-N 3.32Å
29	C	53.5	Low	60.7	Low	108 Å²	108	75.1 Å²	75.1	73%	0.73	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.6	174.2	-69.3	0	0	0	0	113.1	E25 E26 W27	E25-C29 PolarHBondContact O-N 3.03Å; E25-C29 PolarHBondContact O-SG 3.46Å; E26-C29 WeakPolarHBondContact O-CB 3.16Å; E26-C29 PolarHBondContact O-N 3.47Å; W27-C29 PolarHBondContact O-N 3.3Å
30	L	52.3	Low	60.9	Low	37 Å²	37	79.3 Å²	79.3	19%	0.194	41%	0.414	C	S	.	.	S	Bend	trans	-85.4	135.9	176.2	-61.8	175.8	0	0	0	110.4	F22 E26 W27 Q28 Q34 Q35	F22-L30 HydrophobicContact CD1-CD1 4.47Å; F22-L30 HydrophobicContact CD2-CD1 4.04Å; F22-L30 HydrophobicContact CE1-CD1 4.19Å; F22-L30 HydrophobicContact CE2-CD1 3.7Å; F22-L30 HydrophobicContact CG-CD1 4.4Å; F22-L30 HydrophobicContact CZ-CD1 3.8Å; E26-L30 PolarHBondContact O-N 2.81Å; W27-L30 HydrophobicContact CE3-CD1 4.06Å; W27-L30 HydrophobicContact CZ3-CD1 4.37Å; W27-L30 WeakPolarHBondContact O-CB 3.45Å; W27-L30 PolarHBondContact O-N 3.38Å; W27-L30 VanDerWaalsContact O-N 3.13Å; Q28-L30 VanDerWaalsContact C-N 3.32Å; L30-Q34 HydrophobicContact CB-CB 4.11Å; L30-Q34 HydrophobicContact CD2-CB 4.21Å; L30-Q35 HydrophobicContact CB-CG 3.74Å; L30-Q35 HydrophobicContact CD1-CG 4.47Å; L30-Q35 PolarHBondContact O-NE2 3.28Å
31	D	59	Low	61.3	Low	84 Å²	84	77.8 Å²	77.8	45%	0.449	41%	0.409	S	S	.	.			trans	-72.8	163.1	170.2	69.3	52	0	0	0	111.4	A33 Q34 Q35	D31-A33 PolarHBondContact O-N 2.98Å; D31-A33 VanDerWaalsContact O-N 3.15Å; D31-A33 WeakPolarHBondContact OD1-CA 3.45Å; D31-A33 WeakPolarHBondContact OD1-CB 3.34Å; D31-A33 PolarHBondContact OD1-N 2.97Å; D31-Q34 WeakPolarHBondContact O-CB 3.41Å; D31-Q34 PolarHBondContact O-N 3.13Å; D31-Q34 WeakPolarHBondContact OD1-CG 3.4Å; D31-Q34 PolarHBondContact OD1-N 2.85Å; D31-Q34 PolarHBondContact OD2-NE2 3.17Å; D31-Q34 VanDerWaalsContact OD2-NE2 3.13Å; D31-Q35 PolarHBondContact O-N 2.91Å
32	I	64.9	Low	62.2	Low	129 Å²	129	71.5 Å²	71.5	66%	0.662	38%	0.38	S	S	*	.	H	α-helix	trans	-57.2	-34.5	-175.1	-63.6	168.9	0	0	0	112	N36	I32-N36 WeakPolarHBondContact O-CB 3.35Å; I32-N36 VanDerWaalsContact O-CG 3.24Å; I32-N36 PolarHBondContact O-N 3.37Å; I32-N36 PolarHBondContact O-ND2 3.06Å
33	A	58.9	Low	63.2	Low	70 Å²	70	69.2 Å²	69.2	58%	0.579	37%	0.371	S	S	*	.	H	α-helix	trans	-71.6	-36	179	0	0	0	0	0	111.6	D31 L37	D31-A33 PolarHBondContact O-N 2.98Å; D31-A33 VanDerWaalsContact O-N 3.15Å; D31-A33 WeakPolarHBondContact OD1-CA 3.45Å; D31-A33 WeakPolarHBondContact OD1-CB 3.34Å; D31-A33 PolarHBondContact OD1-N 2.97Å; A33-L37 WeakPolarHBondContact O-CB 3.47Å; A33-L37 PolarHBondContact O-N 2.85Å
34	Q	56.9	Low	64.3	Low	85 Å²	85	70.9 Å²	70.9	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-70	-40.8	175.6	-68.6	168.8	-3.9	0	0	112.2	L30 D31 L37 Y38	L30-Q34 HydrophobicContact CB-CB 4.11Å; L30-Q34 HydrophobicContact CD2-CB 4.21Å; D31-Q34 WeakPolarHBondContact O-CB 3.41Å; D31-Q34 PolarHBondContact O-N 3.13Å; D31-Q34 WeakPolarHBondContact OD1-CG 3.4Å; D31-Q34 PolarHBondContact OD1-N 2.85Å; D31-Q34 PolarHBondContact OD2-NE2 3.17Å; D31-Q34 VanDerWaalsContact OD2-NE2 3.13Å; Q34-L37 PolarHBondContact O-N 2.96Å; Q34-Y38 WeakPolarHBondContact O-CB 3.5Å; Q34-Y38 PolarHBondContact O-N 3.36Å
35	Q	71.8	Confident	65.7	Low	29 Å²	29	70.4 Å²	70.4	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-61.8	-45.2	173.8	-67.9	-179.9	-2.4	0	0	110.9	W27 L30 D31 L37 Y38 R39	W27-Q35 HydrophobicContact CD2-CG 4.37Å; W27-Q35 HydrophobicContact CH2-CB 4.12Å; W27-Q35 HydrophobicContact CH2-CG 4.27Å; W27-Q35 HydrophobicContact CZ2-CB 3.78Å; W27-Q35 HydrophobicContact CZ2-CG 3.77Å; W27-Q35 PolarHBondContact O-NE2 3.27Å; L30-Q35 HydrophobicContact CB-CG 3.74Å; L30-Q35 HydrophobicContact CD1-CG 4.47Å; L30-Q35 PolarHBondContact O-NE2 3.28Å; D31-Q35 PolarHBondContact O-N 2.91Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L37 PolarHBondContact O-N 2.91Å; Q35-Y38 WeakPolarHBondContact O-CB 3.37Å; Q35-Y38 PolarHBondContact O-N 2.95Å; Q35-R39 VanDerWaalsContact O-CG 3.28Å; Q35-R39 WeakPolarHBondContact O-CG 3.14Å; Q35-R39 PolarHBondContact O-N 3.44Å
36	N	67.8	Low	67	Low	74 Å²	74	65.8 Å²	65.8	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-38.5	175.8	-74.7	-23.2	0	0	0	112.8	I32 R39 N40	I32-N36 WeakPolarHBondContact O-CB 3.35Å; I32-N36 VanDerWaalsContact O-CG 3.24Å; I32-N36 PolarHBondContact O-N 3.37Å; I32-N36 PolarHBondContact O-ND2 3.06Å; N36-R39 PolarHBondContact O-N 3.38Å; N36-N40 PolarHBondContact O-N 2.82Å; N36-N40 VanDerWaalsContact O-N 3.09Å; N36-N40 PolarHBondContact O-ND2 3.14Å
37	L	70	Confident	68.2	Low	110 Å²	110	67.9 Å²	67.9	58%	0.576	35%	0.352	S	S	*	.	H	α-helix	trans	-64.1	-44.4	174.9	-179	62.6	0	0	0	111.1	A33 Q34 Q35 R39 N40 V41	A33-L37 WeakPolarHBondContact O-CB 3.47Å; A33-L37 PolarHBondContact O-N 2.85Å; Q34-L37 PolarHBondContact O-N 2.96Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-L37 PolarHBondContact O-N 2.91Å; L37-R39 PolarHBondContact O-N 3.27Å; L37-N40 PolarHBondContact O-N 2.78Å; L37-V41 HydrophobicContact CD1-CG2 4.11Å; L37-V41 HydrophobicContact CG-CG2 4.4Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 3.33Å
38	Y	79.8	Confident	69.1	Low	21 Å²	21	71.2 Å²	71.2	8%	0.082	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-47.7	176.3	171.8	-91.8	0	0	0	111.7	I20 F22 W27 Q34 Q35 N40 V41 M42 L65	I20-Y38 HydrophobicContact CB-CE2 4.25Å; I20-Y38 WeakPolarHBondContact O-CE2 3.4Å; I20-Y38 PolarHBondContact O-OH 3.48Å; F22-Y38 AromaticContact CD2-CD2 3.88Å; F22-Y38 HydrophobicContact CD2-CD2 3.88Å; F22-Y38 AromaticContact CD2-CE2 3.66Å; F22-Y38 HydrophobicContact CD2-CE2 3.66Å; F22-Y38 HydrophobicContact CD2-CG 4.35Å; F22-Y38 AromaticContact CD2-CZ 3.99Å; F22-Y38 AromaticContact CE2-CD2 3.36Å; F22-Y38 HydrophobicContact CE2-CD2 3.36Å; F22-Y38 AromaticContact CE2-CE2 3.55Å; F22-Y38 HydrophobicContact CE2-CE2 3.55Å; F22-Y38 AromaticContact CE2-CG 3.96Å; F22-Y38 HydrophobicContact CE2-CG 3.96Å; F22-Y38 HydrophobicContact CZ-CD2 4.46Å; W27-Y38 AromaticContact CH2-CD1 3.41Å; W27-Y38 HydrophobicContact CH2-CD1 3.41Å; W27-Y38 VanDerWaalsContact CH2-CD1 3.41Å; W27-Y38 AromaticContact CH2-CE1 3.9Å; W27-Y38 HydrophobicContact CH2-CE1 3.9Å; W27-Y38 HydrophobicContact CH2-CG 4.17Å; W27-Y38 AromaticContact CZ3-CD1 3.25Å; W27-Y38 HydrophobicContact CZ3-CD1 3.25Å; W27-Y38 AromaticContact CZ3-CE1 3.5Å; W27-Y38 HydrophobicContact CZ3-CE1 3.5Å; W27-Y38 AromaticContact CZ3-CG 3.79Å; W27-Y38 HydrophobicContact CZ3-CG 3.79Å; Q34-Y38 WeakPolarHBondContact O-CB 3.5Å; Q34-Y38 PolarHBondContact O-N 3.36Å; Q35-Y38 WeakPolarHBondContact O-CB 3.37Å; Q35-Y38 PolarHBondContact O-N 2.95Å; Y38-N40 VanDerWaalsContact C-N 3.33Å; Y38-N40 PolarHBondContact O-N 2.79Å; Y38-V41 PolarHBondContact O-N 3.45Å; Y38-M42 HydrophobicContact CD1-CG 4.19Å; Y38-M42 HydrophobicContact CD2-CG 3.97Å; Y38-M42 HydrophobicContact CE1-CG 3.84Å; Y38-M42 HydrophobicContact CE2-CE 4.36Å; Y38-M42 HydrophobicContact CE2-CG 3.59Å; Y38-M42 HydrophobicContact CE2-SD 4.01Å; Y38-M42 HydrophobicContact CG-CG 4.31Å; Y38-M42 WeakPolarHBondContact O-CG 3.4Å; Y38-M42 PolarHBondContact O-N 3.44Å; Y38-L65 HydrophobicContact CD1-CD2 4.36Å; Y38-L65 HydrophobicContact CE1-CD1 4.05Å; Y38-L65 HydrophobicContact CE1-CD2 4.09Å
39	R	75.9	Confident	69.8	Low	33 Å²	33	65.4 Å²	65.4	13%	0.125	34%	0.343	C	S	.	.	H	α-helix	trans	-54.8	-50.7	177.1	-60.5	-145.1	172.9	114	-13	110.8	Q35 N36 L37 V41 M42 L43 L65 E68	Q35-R39 VanDerWaalsContact O-CG 3.28Å; Q35-R39 WeakPolarHBondContact O-CG 3.14Å; Q35-R39 PolarHBondContact O-N 3.44Å; N36-R39 PolarHBondContact O-N 3.38Å; L37-R39 PolarHBondContact O-N 3.27Å; R39-V41 PolarHBondContact O-N 3.3Å; R39-M42 PolarHBondContact O-N 3.48Å; R39-L43 WeakPolarHBondContact O-CB 3.24Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 2.85Å; R39-L43 PolarHBondContact O-N 3.22Å; R39-L65 HydrophobicContact CB-CD2 4.38Å; R39-L65 HydrophobicContact CG-CD2 3.79Å; R39-E68 PolarHBondContact NH2-O 3.01Å
40	N	70.9	Confident	70.6	Confident	107 Å²	107	63.4 Å²	63.4	57%	0.572	33%	0.327	S	S	*	.	H	α-helix	trans	-60.9	-42.4	-178.8	-75.6	-49.9	0	0	0	112.7	N36 L37 Y38 E44	N36-N40 PolarHBondContact O-N 2.82Å; N36-N40 VanDerWaalsContact O-N 3.09Å; N36-N40 PolarHBondContact O-ND2 3.14Å; L37-N40 PolarHBondContact O-N 2.78Å; Y38-N40 VanDerWaalsContact C-N 3.33Å; Y38-N40 PolarHBondContact O-N 2.79Å; N40-E44 WeakPolarHBondContact O-CB 3.43Å; N40-E44 PolarHBondContact O-N 3.25Å
41	V	75.3	Confident	71.4	Confident	61 Å²	61	70 Å²	70	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-70.4	-41.6	-178.5	175.9	0	0	0	0	111.5	L37 Y38 R39 E44 N45	L37-V41 HydrophobicContact CD1-CG2 4.11Å; L37-V41 HydrophobicContact CG-CG2 4.4Å; L37-V41 VanDerWaalsContact O-CG2 3.29Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 3.33Å; Y38-V41 PolarHBondContact O-N 3.45Å; R39-V41 PolarHBondContact O-N 3.3Å; V41-E44 PolarHBondContact O-N 3.37Å; V41-N45 WeakPolarHBondContact O-CB 3.17Å; V41-N45 PolarHBondContact O-N 3.32Å; V41-N45 PolarHBondContact O-OD1 3.44Å
42	M	81	Confident	71.7	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.015	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-41.7	178.6	-67.6	-59.7	104.4	0	0	111.9	A19 I20 Y38 R39 N45 Y46 I62 L65	A19-M42 HydrophobicContact CB-SD 4.4Å; I20-M42 HydrophobicContact CB-CE 4.41Å; I20-M42 HydrophobicContact CG1-CE 4.42Å; Y38-M42 HydrophobicContact CD1-CG 4.19Å; Y38-M42 HydrophobicContact CD2-CG 3.97Å; Y38-M42 HydrophobicContact CE1-CG 3.84Å; Y38-M42 HydrophobicContact CE2-CE 4.36Å; Y38-M42 HydrophobicContact CE2-CG 3.59Å; Y38-M42 HydrophobicContact CE2-SD 4.01Å; Y38-M42 HydrophobicContact CG-CG 4.31Å; Y38-M42 WeakPolarHBondContact O-CG 3.4Å; Y38-M42 PolarHBondContact O-N 3.44Å; R39-M42 PolarHBondContact O-N 3.48Å; M42-N45 PolarHBondContact O-N 2.86Å; M42-Y46 PolarHBondContact O-N 3.3Å; M42-I62 HydrophobicContact CB-CD1 4.35Å; M42-I62 WeakPolarHBondContact O-CD1 3.4Å; M42-L65 HydrophobicContact CB-CD1 3.68Å; M42-L65 HydrophobicContact CG-CD1 4.21Å
43	L	76.9	Confident	71.5	Confident	22 Å²	22	68.4 Å²	68.4	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-64.5	-41.1	175.3	-67.4	176.6	0	0	0	112.1	R39 Y46 R47 I62 L65 E66	R39-L43 WeakPolarHBondContact O-CB 3.24Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 2.85Å; R39-L43 PolarHBondContact O-N 3.22Å; L43-Y46 PolarHBondContact O-N 3.39Å; L43-R47 WeakPolarHBondContact O-CB 3.42Å; L43-R47 VanDerWaalsContact O-CG 3.29Å; L43-R47 WeakPolarHBondContact O-CG 3.48Å; L43-R47 PolarHBondContact O-N 3.21Å; L43-I62 HydrophobicContact CD2-CD1 4.16Å; L43-I62 HydrophobicContact CD2-CG2 3.99Å; L43-L65 HydrophobicContact CD2-CB 4.13Å; L43-L65 HydrophobicContact CG-CB 4.42Å; L43-E66 HydrophobicContact CD1-CG 4.4Å; L43-E66 HydrophobicContact CD2-CG 3.46Å; L43-E66 VanDerWaalsContact CD2-CG 3.46Å
44	E	77.1	Confident	71.9	Confident	88 Å²	88	68.1 Å²	68.1	41%	0.411	35%	0.351	S	S	.	.	H	α-helix	trans	-68	-39.7	177.6	-170.9	62.6	-163.4	0	0	111.8	N40 V41 Y46 R47 N48	N40-E44 WeakPolarHBondContact O-CB 3.43Å; N40-E44 PolarHBondContact O-N 3.25Å; V41-E44 PolarHBondContact O-N 3.37Å; E44-Y46 PolarHBondContact O-N 3.37Å; E44-R47 PolarHBondContact O-N 3.02Å; E44-N48 WeakPolarHBondContact O-CB 3.19Å; E44-N48 VanDerWaalsContact O-CG 3.31Å; E44-N48 PolarHBondContact O-N 3.45Å; E44-N48 PolarHBondContact O-ND2 2.96Å
45	N	75.4	Confident	72.2	Confident	52 Å²	52	65.2 Å²	65.2	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-43.3	174.4	-75	-4.7	0	0	0	111.3	F15 V41 M42 N48 L49	F15-N45 HydrophobicContact CE2-CB 4.46Å; V41-N45 WeakPolarHBondContact O-CB 3.17Å; V41-N45 PolarHBondContact O-N 3.32Å; V41-N45 PolarHBondContact O-OD1 3.44Å; M42-N45 PolarHBondContact O-N 2.86Å; N45-N48 PolarHBondContact O-N 3.05Å; N45-L49 WeakPolarHBondContact O-CG 3.34Å; N45-L49 PolarHBondContact O-N 3.03Å
46	Y	78.9	Confident	71.5	Confident	27 Å²	27	70.8 Å²	70.8	11%	0.106	38%	0.377	C	S	.	.	H	α-helix	trans	-63.4	-46.1	175.2	-179.9	-105.9	0	0	0	111.8	F15 M42 L43 E44 N48 L49 V50 A55 K58 P59 I62	F15-Y46 AromaticContact CD2-CD2 3.93Å; F15-Y46 HydrophobicContact CD2-CD2 3.93Å; F15-Y46 HydrophobicContact CD2-CG 4.44Å; F15-Y46 HydrophobicContact CE2-CD2 4.4Å; F15-Y46 HydrophobicContact CG-CD2 4.34Å; M42-Y46 PolarHBondContact O-N 3.3Å; L43-Y46 PolarHBondContact O-N 3.39Å; E44-Y46 PolarHBondContact O-N 3.37Å; Y46-N48 VanDerWaalsContact C-N 3.27Å; Y46-N48 PolarHBondContact O-N 3.13Å; Y46-L49 PolarHBondContact O-N 3.37Å; Y46-L49 VanDerWaalsContact O-N 3.09Å; Y46-V50 HydrophobicContact CD1-CG2 4.05Å; Y46-V50 HydrophobicContact CD2-CG2 4.32Å; Y46-V50 HydrophobicContact CE1-CG2 3.54Å; Y46-V50 HydrophobicContact CE2-CG2 3.82Å; Y46-V50 HydrophobicContact CG-CG2 4.41Å; Y46-V50 WeakPolarHBondContact O-CG2 3.21Å; Y46-V50 PolarHBondContact O-N 3.03Å; Y46-A55 HydrophobicContact CD2-CB 4.46Å; Y46-A55 HydrophobicContact CE2-CB 3.9Å; Y46-K58 HydrophobicContact CE1-CD 4.42Å; Y46-K58 HydrophobicContact CE1-CG 3.97Å; Y46-K58 WeakPolarHBondContact OH-CA 3.48Å; Y46-K58 WeakPolarHBondContact OH-CB 3.36Å; Y46-P59 HydrophobicContact CD2-CG 4.43Å; Y46-P59 HydrophobicContact CE2-CG 4.32Å; Y46-I62 HydrophobicContact CD1-CG1 4.42Å; Y46-I62 HydrophobicContact CD1-CG2 3.68Å; Y46-I62 HydrophobicContact CD2-CG1 4.08Å; Y46-I62 HydrophobicContact CE1-CG2 4.1Å; Y46-I62 HydrophobicContact CG-CB 4.46Å; Y46-I62 HydrophobicContact CG-CD1 4.17Å; Y46-I62 HydrophobicContact CG-CG1 3.84Å; Y46-I62 HydrophobicContact CG-CG2 3.99Å
47	R	74.4	Confident	71.3	Confident	149 Å²	149	71.7 Å²	71.7	56%	0.562	39%	0.389	S	S	*	.	H	α-helix	trans	-56.9	-41.1	175.8	-75.5	172	-178.9	176.8	0.5	112.3	L43 E44 V50 F51	L43-R47 WeakPolarHBondContact O-CB 3.42Å; L43-R47 VanDerWaalsContact O-CG 3.29Å; L43-R47 WeakPolarHBondContact O-CG 3.48Å; L43-R47 PolarHBondContact O-N 3.21Å; E44-R47 PolarHBondContact O-N 3.02Å; R47-V50 PolarHBondContact O-N 3.44Å; R47-F51 VanDerWaalsContact O-CB 3.31Å; R47-F51 WeakPolarHBondContact O-CB 3.39Å; R47-F51 PolarHBondContact O-N 3.19Å
48	N	73.9	Confident	71.4	Confident	73 Å²	73	70.7 Å²	70.7	39%	0.39	38%	0.38	S	S	.	.	H	α-helix	trans	-67	-39.5	176.5	-74.3	-48.2	0	0	0	112.1	E44 N45 Y46 F51 L52	E44-N48 WeakPolarHBondContact O-CB 3.19Å; E44-N48 VanDerWaalsContact O-CG 3.31Å; E44-N48 PolarHBondContact O-N 3.45Å; E44-N48 PolarHBondContact O-ND2 2.96Å; N45-N48 PolarHBondContact O-N 3.05Å; Y46-N48 VanDerWaalsContact C-N 3.27Å; Y46-N48 PolarHBondContact O-N 3.13Å; N48-F51 PolarHBondContact O-N 2.96Å; N48-L52 WeakPolarHBondContact O-CB 3.5Å; N48-L52 WeakPolarHBondContact O-CG 3.39Å; N48-L52 PolarHBondContact O-N 2.86Å
49	L	71	Confident	71.2	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-68.9	-35.1	175.8	-71.8	175.8	0	0	0	113.2	L13 F15 V18 N45 Y46 L52 G53 I54 A55	L13-L49 HydrophobicContact CD2-CD2 3.94Å; F15-L49 HydrophobicContact CB-CD1 4.09Å; F15-L49 HydrophobicContact CD2-CD1 3.93Å; V18-L49 HydrophobicContact CG2-CD1 3.45Å; V18-L49 VanDerWaalsContact CG2-CD1 3.45Å; V18-L49 HydrophobicContact CG2-CG 4.46Å; N45-L49 WeakPolarHBondContact O-CG 3.34Å; N45-L49 PolarHBondContact O-N 3.03Å; Y46-L49 PolarHBondContact O-N 3.37Å; Y46-L49 VanDerWaalsContact O-N 3.09Å; L49-L52 PolarHBondContact O-N 3Å; L49-G53 PolarHBondContact O-N 2.8Å; L49-I54 HydrophobicContact CD2-CB 4.38Å; L49-I54 HydrophobicContact CD2-CD1 4.27Å; L49-I54 HydrophobicContact CD2-CG2 4.31Å; L49-I54 PolarHBondContact O-N 3.45Å; L49-A55 HydrophobicContact CB-CB 4.12Å; L49-A55 PolarHBondContact O-N 2.84Å
50	V	70.5	Confident	70.9	Confident	66 Å²	66	73.2 Å²	73.2	40%	0.4	40%	0.399	S	S	.	.	H	α-helix	trans	-66.7	-44.5	171	173.9	0	0	0	0	110.6	Y46 R47 L52 G53 A55	Y46-V50 HydrophobicContact CD1-CG2 4.05Å; Y46-V50 HydrophobicContact CD2-CG2 4.32Å; Y46-V50 HydrophobicContact CE1-CG2 3.54Å; Y46-V50 HydrophobicContact CE2-CG2 3.82Å; Y46-V50 HydrophobicContact CG-CG2 4.41Å; Y46-V50 WeakPolarHBondContact O-CG2 3.21Å; Y46-V50 PolarHBondContact O-N 3.03Å; R47-V50 PolarHBondContact O-N 3.44Å; V50-L52 PolarHBondContact O-N 3.26Å; V50-G53 PolarHBondContact O-N 2.9Å; V50-A55 HydrophobicContact CG2-CB 3.92Å
51	F	68.9	Low	71	Confident	176 Å²	176	69.2 Å²	69.2	77%	0.772	38%	0.377	S	S	*	.	H	α-helix	trans	-60.1	-34.5	177	-179.3	-96.6	0	0	0	112.5	R47 N48 G53	R47-F51 VanDerWaalsContact O-CB 3.31Å; R47-F51 WeakPolarHBondContact O-CB 3.39Å; R47-F51 PolarHBondContact O-N 3.19Å; N48-F51 PolarHBondContact O-N 2.96Å; F51-G53 PolarHBondContact O-N 3.35Å
52	L	66.4	Low	71.1	Confident	113 Å²	113	66.3 Å²	66.3	59%	0.592	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.5	175.9	-66.9	170.2	0	0	0	113.4	N48 L49 V50 I54	N48-L52 WeakPolarHBondContact O-CB 3.5Å; N48-L52 WeakPolarHBondContact O-CG 3.39Å; N48-L52 PolarHBondContact O-N 2.86Å; L49-L52 PolarHBondContact O-N 3Å; V50-L52 PolarHBondContact O-N 3.26Å; L52-I54 HydrophobicContact CB-CD1 3.65Å; L52-I54 HydrophobicContact CB-CG1 3.83Å; L52-I54 HydrophobicContact CD1-CD1 4.1Å; L52-I54 PolarHBondContact O-N 3.21Å
53	G	60.7	Low	71	Confident	66 Å²	66	68.4 Å²	68.4	68%	0.68	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	18.8	-178.7	0	0	0	0	0	114	L49 V50 F51	L49-G53 PolarHBondContact O-N 2.8Å; V50-G53 PolarHBondContact O-N 2.9Å; F51-G53 PolarHBondContact O-N 3.35Å
54	I	65.9	Low	70.6	Confident	64 Å²	64	68.3 Å²	68.3	33%	0.328	37%	0.374	S	S	.	.			trans	-93.6	-35.2	-172.5	-61.8	174.2	0	0	0	111.2	L13 L49 L52	L13-I54 HydrophobicContact CB-CG2 4.48Å; L13-I54 WeakPolarHBondContact O-CG2 3.23Å; L49-I54 HydrophobicContact CD2-CB 4.38Å; L49-I54 HydrophobicContact CD2-CD1 4.27Å; L49-I54 HydrophobicContact CD2-CG2 4.31Å; L49-I54 PolarHBondContact O-N 3.45Å; L52-I54 HydrophobicContact CB-CD1 3.65Å; L52-I54 HydrophobicContact CB-CG1 3.83Å; L52-I54 HydrophobicContact CD1-CD1 4.1Å; L52-I54 PolarHBondContact O-N 3.21Å
55	A	63.8	Low	70.4	Confident	24 Å²	24	64.3 Å²	64.3	20%	0.198	36%	0.355	C	S	.	.			trans	-86.4	116.5	178.5	0	0	0	0	0	111	Y46 L49 V50	Y46-A55 HydrophobicContact CD2-CB 4.46Å; Y46-A55 HydrophobicContact CE2-CB 3.9Å; L49-A55 HydrophobicContact CB-CB 4.12Å; L49-A55 PolarHBondContact O-N 2.84Å; V50-A55 HydrophobicContact CG2-CB 3.92Å
56	V	56.8	Low	70.5	Confident	145 Å²	145	66.1 Å²	66.1	88%	0.879	36%	0.362	S	S	*	.			trans	-93.1	-25.4	-177.3	-170.5	0	0	0	0	112.4
57	S	63.4	Low	70.1	Confident	94 Å²	94	70 Å²	70	66%	0.657	38%	0.381	S	S	*	.	S	Bend	trans	-138.6	147	179.2	57.4	0	0	0	0	111.4	P59	S57-P59 VanDerWaalsContact O-CD 3.3Å; S57-P59 WeakPolarHBondContact O-CD 3.44Å
58	K	72	Confident	69.4	Low	88 Å²	88	70.1 Å²	70.1	38%	0.383	39%	0.388	S	S	.	.			trans	-78.9	117.5	179.6	-166.6	172	-169.9	168.8	0	111.1	Y46 I62 E66	Y46-K58 HydrophobicContact CE1-CD 4.42Å; Y46-K58 HydrophobicContact CE1-CG 3.97Å; Y46-K58 WeakPolarHBondContact OH-CA 3.48Å; Y46-K58 WeakPolarHBondContact OH-CB 3.36Å; K58-I62 HydrophobicContact CD-CG2 4.44Å; K58-I62 HydrophobicContact CG-CB 4.41Å; K58-I62 HydrophobicContact CG-CG2 4.04Å; K58-E66 VanDerWaalsContact CE-OE1 3.28Å; K58-E66 WeakPolarHBondContact CE-OE1 3.4Å; K58-E66 WeakPolarHBondContact CE-OE2 3.36Å; K58-E66 IonicContact NZ-OE1 3.88Å; K58-E66 PolarHBondContact NZ-OE1 3.11Å; K58-E66 IonicContact NZ-OE2 2.92Å; K58-E66 PolarHBondContact NZ-OE2 3.11Å
59	P	75.4	Confident	68.7	Low	24 Å²	24	72.4 Å²	72.4	16%	0.156	39%	0.394	C	S	.	.			trans	-68.6	146.5	-179.3	-20.9	34.1	0	0	0	112.5	F15 Y46 S57 L61 I62 T63	F15-P59 HydrophobicContact CB-CG 4.02Å; F15-P59 HydrophobicContact CD1-CB 4.06Å; F15-P59 HydrophobicContact CD1-CG 3.57Å; F15-P59 HydrophobicContact CE1-CB 4.47Å; F15-P59 HydrophobicContact CE1-CG 4.3Å; F15-P59 HydrophobicContact CG-CG 3.9Å; Y46-P59 HydrophobicContact CD2-CG 4.43Å; Y46-P59 HydrophobicContact CE2-CG 4.32Å; S57-P59 VanDerWaalsContact O-CD 3.3Å; S57-P59 WeakPolarHBondContact O-CD 3.44Å; P59-L61 PolarHBondContact O-N 3.45Å; P59-I62 HydrophobicContact CB-CG1 4.48Å; P59-I62 HydrophobicContact CG-CG1 4.42Å; P59-I62 WeakPolarHBondContact O-CB 3.41Å; P59-I62 PolarHBondContact O-N 2.9Å; P59-T63 PolarHBondContact O-N 2.86Å; P59-T63 VanDerWaalsContact O-N 3.16Å; P59-T63 PolarHBondContact O-OG1 3.46Å
60	D	70	Confident	68.1	Low	83 Å²	83	76.7 Å²	76.7	44%	0.444	41%	0.414	S	S	.	.	H	α-helix	trans	-55.8	-38.5	-179.4	-65.3	-32.3	0	0	0	112.5	I62 T63 C64 P74	D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 3.16Å; D60-T63 WeakPolarHBondContact O-CB 3.29Å; D60-T63 PolarHBondContact O-N 3.17Å; D60-T63 VanDerWaalsContact O-N 3.15Å; D60-C64 PolarHBondContact O-N 3.04Å; D60-C64 PolarHBondContact O-SG 3.43Å; D60-C64 VanDerWaalsContact O-SG 3.35Å; D60-P74 HydrophobicContact CB-CG 4.45Å
61	L	72.4	Confident	67.3	Low	24 Å²	24	74.6 Å²	74.6	13%	0.126	40%	0.402	C	S	.	.	H	α-helix	trans	-58	-41.4	174.7	-179.3	61.6	0	0	0	112.3	E21 P59 C64 L65 P71	E21-L61 HydrophobicContact CG-CD2 4.46Å; P59-L61 PolarHBondContact O-N 3.45Å; L61-C64 PolarHBondContact O-N 3.36Å; L61-L65 HydrophobicContact CD1-CD1 4.28Å; L61-L65 HydrophobicContact CD1-CG 4.36Å; L61-L65 HydrophobicContact CG-CD1 4.13Å; L61-L65 WeakPolarHBondContact O-CB 3.47Å; L61-L65 WeakPolarHBondContact O-CG 2.93Å; L61-L65 PolarHBondContact O-N 3.04Å; L61-P71 HydrophobicContact CD1-CB 3.57Å
62	I	78.9	Confident	66.7	Low	0 Å²	0	70.2 Å²	70.2	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-68.4	-39.4	177.4	-68.4	-62.4	0	0	0	110.7	F15 M42 L43 Y46 K58 P59 D60 L65 E66	F15-I62 HydrophobicContact CD1-CG1 4.48Å; F15-I62 HydrophobicContact CE1-CD1 4.03Å; F15-I62 HydrophobicContact CE1-CG1 3.81Å; F15-I62 HydrophobicContact CE2-CD1 3.81Å; F15-I62 HydrophobicContact CE2-CG1 4.09Å; F15-I62 HydrophobicContact CZ-CD1 3.37Å; F15-I62 HydrophobicContact CZ-CG1 3.63Å; M42-I62 HydrophobicContact CB-CD1 4.35Å; M42-I62 WeakPolarHBondContact O-CD1 3.4Å; L43-I62 HydrophobicContact CD2-CD1 4.16Å; L43-I62 HydrophobicContact CD2-CG2 3.99Å; Y46-I62 HydrophobicContact CD1-CG1 4.42Å; Y46-I62 HydrophobicContact CD1-CG2 3.68Å; Y46-I62 HydrophobicContact CD2-CG1 4.08Å; Y46-I62 HydrophobicContact CE1-CG2 4.1Å; Y46-I62 HydrophobicContact CG-CB 4.46Å; Y46-I62 HydrophobicContact CG-CD1 4.17Å; Y46-I62 HydrophobicContact CG-CG1 3.84Å; Y46-I62 HydrophobicContact CG-CG2 3.99Å; K58-I62 HydrophobicContact CD-CG2 4.44Å; K58-I62 HydrophobicContact CG-CB 4.41Å; K58-I62 HydrophobicContact CG-CG2 4.04Å; P59-I62 HydrophobicContact CB-CG1 4.48Å; P59-I62 HydrophobicContact CG-CG1 4.42Å; P59-I62 WeakPolarHBondContact O-CB 3.41Å; P59-I62 PolarHBondContact O-N 2.9Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 3.16Å; I62-L65 PolarHBondContact O-N 3.44Å; I62-E66 WeakPolarHBondContact O-CG 2.93Å; I62-E66 PolarHBondContact O-N 3.19Å
63	T	77.3	Confident	65.8	Low	47 Å²	47	72.1 Å²	72.1	29%	0.288	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-41.7	174.8	-53.7	0	0	0	0	111.7	P59 D60 Q67	P59-T63 PolarHBondContact O-N 2.86Å; P59-T63 VanDerWaalsContact O-N 3.16Å; P59-T63 PolarHBondContact O-OG1 3.46Å; D60-T63 WeakPolarHBondContact O-CB 3.29Å; D60-T63 PolarHBondContact O-N 3.17Å; D60-T63 VanDerWaalsContact O-N 3.15Å; T63-Q67 WeakPolarHBondContact O-CG 3.45Å; T63-Q67 PolarHBondContact O-N 3.46Å
64	C	70.2	Confident	65.1	Low	20 Å²	20	72.4 Å²	72.4	14%	0.135	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-41.7	175.1	-69.7	0	0	0	0	112.3	D60 L61 Q67 E68 K69	D60-C64 PolarHBondContact O-N 3.04Å; D60-C64 PolarHBondContact O-SG 3.43Å; D60-C64 VanDerWaalsContact O-SG 3.35Å; L61-C64 PolarHBondContact O-N 3.36Å; C64-Q67 PolarHBondContact O-N 3.47Å; C64-E68 PolarHBondContact O-N 3.13Å; C64-K69 PolarHBondContact O-N 3.04Å; C64-K69 VanDerWaalsContact O-N 3.12Å
65	L	72.9	Confident	63.4	Low	3 Å²	3	76.6 Å²	76.6	2%	0.016	40%	0.396	C	S	.	.	H	α-helix	trans	-70.2	-32.5	-179.3	-69.7	174.6	0	0	0	113.4	Y38 R39 M42 L43 L61 I62 P71	Y38-L65 HydrophobicContact CD1-CD2 4.36Å; Y38-L65 HydrophobicContact CE1-CD1 4.05Å; Y38-L65 HydrophobicContact CE1-CD2 4.09Å; R39-L65 HydrophobicContact CB-CD2 4.38Å; R39-L65 HydrophobicContact CG-CD2 3.79Å; M42-L65 HydrophobicContact CB-CD1 3.68Å; M42-L65 HydrophobicContact CG-CD1 4.21Å; L43-L65 HydrophobicContact CD2-CB 4.13Å; L43-L65 HydrophobicContact CG-CB 4.42Å; L61-L65 HydrophobicContact CD1-CD1 4.28Å; L61-L65 HydrophobicContact CD1-CG 4.36Å; L61-L65 HydrophobicContact CG-CD1 4.13Å; L61-L65 WeakPolarHBondContact O-CB 3.47Å; L61-L65 WeakPolarHBondContact O-CG 2.93Å; L61-L65 PolarHBondContact O-N 3.04Å; I62-L65 PolarHBondContact O-N 3.44Å; L65-P71 HydrophobicContact CD2-CB 4.12Å; L65-P71 HydrophobicContact CD2-CG 4.28Å
66	E	77.1	Confident	61.9	Low	90 Å²	90	87 Å²	87	42%	0.421	43%	0.43	S	S	.	.	H	α-helix	trans	-73.1	-30.9	173.6	-72.8	-177	-178.2	0	0	113.3	L43 K58 I62 E68	L43-E66 HydrophobicContact CD1-CG 4.4Å; L43-E66 HydrophobicContact CD2-CG 3.46Å; L43-E66 VanDerWaalsContact CD2-CG 3.46Å; K58-E66 VanDerWaalsContact CE-OE1 3.28Å; K58-E66 WeakPolarHBondContact CE-OE1 3.4Å; K58-E66 WeakPolarHBondContact CE-OE2 3.36Å; K58-E66 IonicContact NZ-OE1 3.88Å; K58-E66 PolarHBondContact NZ-OE1 3.11Å; K58-E66 IonicContact NZ-OE2 2.92Å; K58-E66 PolarHBondContact NZ-OE2 3.11Å; I62-E66 WeakPolarHBondContact O-CG 2.93Å; I62-E66 PolarHBondContact O-N 3.19Å; E66-E68 PolarHBondContact O-N 3.13Å
67	Q	70.6	Confident	60.6	Low	109 Å²	109	90.9 Å²	90.9	51%	0.509	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.9	176.9	-67.8	-178.1	8.9	0	0	113.2	T63 C64 K69	T63-Q67 WeakPolarHBondContact O-CG 3.45Å; T63-Q67 PolarHBondContact O-N 3.46Å; C64-Q67 PolarHBondContact O-N 3.47Å; Q67-K69 HydrophobicContact CB-CD 4.27Å; Q67-K69 HydrophobicContact CB-CG 4.23Å; Q67-K69 PolarHBondContact O-N 3.39Å
68	E	59.9	Low	59	Low	151 Å²	151	95.7 Å²	95.7	71%	0.706	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	16.8	-172.7	-63.4	-169.2	163.8	0	0	114.9	R39 C64 E66	R39-E68 PolarHBondContact NH2-O 3.01Å; C64-E68 PolarHBondContact O-N 3.13Å; E66-E68 PolarHBondContact O-N 3.13Å
69	K	58.8	Low	56.8	Low	121 Å²	121	99.4 Å²	99.4	53%	0.526	46%	0.459	S	S	.	.			trans	-74.7	153.8	174.7	-71.4	176.5	-178.1	163.7	0	109.9	C64 Q67	C64-K69 PolarHBondContact O-N 3.04Å; C64-K69 VanDerWaalsContact O-N 3.12Å; Q67-K69 HydrophobicContact CB-CD 4.27Å; Q67-K69 HydrophobicContact CB-CG 4.23Å; Q67-K69 PolarHBondContact O-N 3.39Å
70	E	58	Low	54.5	Low	102 Å²	102	106 Å²	106	48%	0.477	49%	0.49	S	S	.	.			trans	-76.5	130.7	-179.8	-60.3	-170.8	116.9	0	0	110.5	W72	E70-W72 VanDerWaalsContact C-N 3.3Å; E70-W72 HydrophobicContact CB-CD2 4.12Å; E70-W72 HydrophobicContact CB-CE3 3.63Å; E70-W72 HydrophobicContact CB-CH2 3.44Å; E70-W72 VanDerWaalsContact CB-CH2 3.44Å; E70-W72 HydrophobicContact CB-CZ2 3.83Å; E70-W72 HydrophobicContact CB-CZ3 3.28Å; E70-W72 HydrophobicContact CG-CH2 3.79Å; E70-W72 HydrophobicContact CG-CZ2 4.42Å; E70-W72 HydrophobicContact CG-CZ3 3.89Å; E70-W72 PolarHBondContact O-N 3.38Å; E70-W72 VanDerWaalsContact O-N 3.11Å; E70-W72 WeakPolarHBondContact OE1-CH2 3.42Å; E70-W72 WeakPolarHBondContact OE2-CH2 3.32Å; E70-W72 WeakPolarHBondContact OE2-CZ2 3.16Å
71	P	54.2	Low	52.4	Low	22 Å²	22	108.2 Å²	108.2	14%	0.143	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	3.6	-156.5	26.2	-33.1	0	0	0	116.7	W27 L61 L65	W27-P71 HydrophobicContact CD2-CG 3.98Å; W27-P71 HydrophobicContact CE3-CG 3.97Å; W27-P71 HydrophobicContact CH2-CG 3.82Å; W27-P71 HydrophobicContact CZ2-CG 3.82Å; W27-P71 HydrophobicContact CZ3-CG 3.9Å; L61-P71 HydrophobicContact CD1-CB 3.57Å; L65-P71 HydrophobicContact CD2-CB 4.12Å; L65-P71 HydrophobicContact CD2-CG 4.28Å
72	W	55.3	Low	50.2	Low	84 Å²	84	111.2 Å²	111.2	32%	0.318	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2	-169.8	61.2	80.4	0	0	0	115.9	L24 W27 E70	L24-W72 HydrophobicContact CD1-CD2 3.45Å; L24-W72 VanDerWaalsContact CD1-CD2 3.45Å; L24-W72 HydrophobicContact CD1-CE3 3.84Å; L24-W72 HydrophobicContact CD1-CG 3.8Å; L24-W72 HydrophobicContact CD1-CH2 3.94Å; L24-W72 HydrophobicContact CD1-CZ2 3.69Å; L24-W72 HydrophobicContact CD1-CZ3 4.05Å; W27-W72 AromaticContact CD1-CE3 3.84Å; W27-W72 AromaticContact CD1-CZ3 3.3Å; W27-W72 HydrophobicContact CG-CE3 4.17Å; W27-W72 HydrophobicContact CG-CZ3 4.06Å; W27-W72 AromaticContact NE1-CZ3 3.69Å; E70-W72 VanDerWaalsContact C-N 3.3Å; E70-W72 HydrophobicContact CB-CD2 4.12Å; E70-W72 HydrophobicContact CB-CE3 3.63Å; E70-W72 HydrophobicContact CB-CH2 3.44Å; E70-W72 VanDerWaalsContact CB-CH2 3.44Å; E70-W72 HydrophobicContact CB-CZ2 3.83Å; E70-W72 HydrophobicContact CB-CZ3 3.28Å; E70-W72 HydrophobicContact CG-CH2 3.79Å; E70-W72 HydrophobicContact CG-CZ2 4.42Å; E70-W72 HydrophobicContact CG-CZ3 3.89Å; E70-W72 PolarHBondContact O-N 3.38Å; E70-W72 VanDerWaalsContact O-N 3.11Å; E70-W72 WeakPolarHBondContact OE1-CH2 3.42Å; E70-W72 WeakPolarHBondContact OE2-CH2 3.32Å; E70-W72 WeakPolarHBondContact OE2-CZ2 3.16Å
73	E	48.3	Very low	47.7	Very low	154 Å²	154	121 Å²	121	72%	0.72	58%	0.577	S	S	*	*	S	Bend	trans	-128.2	87.7	174.2	-77.4	-96.5	160	0	0	107
74	P	45.2	Very low	46	Very low	71 Å²	71	124 Å²	124	46%	0.461	60%	0.597	S	S	.	*				-149	139.4	59.7	36.2	-15.3	0	0	0	115.7	D60	D60-P74 HydrophobicContact CB-CG 4.45Å
75	M	30.7	Very low	43.9	Very low	152 Å²	152	128.6 Å²	128.6	75%	0.749	63%	0.627	S	S	*	*			trans	-175.9	104.6	130.9	-102.8	179.3	-178.9	0	0	111.3
76	R	33.6	Very low	41.5	Very low	243 Å²	243	135.3 Å²	135.3	92%	0.917	67%	0.668	S	S	*	*			trans	-68.3	127.3	154	-72.4	-174.2	-171.9	-167.5	3.5	108
77	R	28.5	Very low	39	Very low	226 Å²	226	139.2 Å²	139.2	85%	0.853	69%	0.688	S	S	*	*			trans	-57.1	134.5	163.7	-105.4	-174.1	-71.6	-141.7	-6.3	109.9
78	H	29.5	Very low	36.6	Very low	195 Å²	195	139.1 Å²	139.1	90%	0.903	70%	0.698	S	S	*	*			trans	-131.5	139.4	144.1	-88.3	171.5	0	0	0	110.5
79	E	26.9	Very low	35	Very low	166 Å²	166	135.4 Å²	135.4	78%	0.776	69%	0.689	S	S	*	*			trans	-83.3	164.4	-175.3	-68.6	175.3	126.5	0	0	112.8
80	M	26.7	Very low	33.5	Very low	162 Å²	162	138.3 Å²	138.3	80%	0.798	70%	0.704	S	S	*	*				116.5	126.7	127	-103	-177.1	-169.8	0	0	119.7
81	V	25.8	Very low	31.8	Very low	131 Å²	131	142.4 Å²	142.4	79%	0.794	72%	0.72	S	S	*	*			trans	105.4	115.7	140.9	179.8	0	0	0	0	120.2
82	A	27	Very low	30.4	Very low	87 Å²	87	146.2 Å²	146.2	72%	0.719	74%	0.743	S	S	*	*			trans	36.7	122.3	140.5	0	0	0	0	0	123.9
83	K	24.7	Very low	29	Very low	206 Å²	206	149.4 Å²	149.4	90%	0.896	76%	0.762	S	S	*	*			trans	57.3	154.7	142.4	-92.5	-167.3	175.3	176.4	0	120.5
84	P	42.2	Very low	27.8	Very low	109 Å²	109	148 Å²	148	71%	0.708	76%	0.759	S	S	*	*			trans	-102.2	165.2	-149.6	40.4	-36	0	0	0	114.3
85	P	25.5	Very low	26.6	Very low	117 Å²	117	153.9 Å²	153.9	76%	0.76	78%	0.778	S	S	*	*			trans	-119.9	126.9	142.7	24.9	-7.6	0	0	0	110.2
86	V	22.5	Very low	26.3	Very low	143 Å²	143	157.9 Å²	157.9	87%	0.867	79%	0.785	S	S	*	*				66.9	129	86.7	-178.5	0	0	0	0	114
87	M	24.7	Very low	26.6	Very low	172 Å²	172	151 Å²	151	85%	0.847	77%	0.772	S	S	*	*			trans	-64.3	150.7	-176.3	-58.2	-148.7	-51.3	0	0	116.1
88	C	21.4	Very low	26.3	Very low	108 Å²	108	147.8 Å²	147.8	73%	0.73	77%	0.767	S	S	*	*				176.8	130.6	121.7	-112.8	0	0	0	0	110.6
89	S	26	Very low	26.2	Very low	73 Å²	73	144.9 Å²	144.9	51%	0.51	75%	0.753	S	S	.	*				45.5	128	112.3	67.7	0	0	0	0	115
90	H	26.1	Very low	26.1	Very low	181 Å²	181	144 Å²	144	84%	0.838	75%	0.749	S	S	*	*				-164.8	169	68.4	-68.7	-79.1	0	0	0	113
91	F	24.1	Very low	26	Very low	188 Å²	188	143.7 Å²	143.7	83%	0.825	75%	0.749	S	S	*	*			trans	-52	152.3	178.2	-113.3	-118.8	0	0	0	117.9
92	T	24.2	Very low	26.1	Very low	102 Å²	102	146.2 Å²	146.2	63%	0.626	75%	0.749	S	S	*	*			trans	41.9	137.7	140.2	59.9	0	0	0	0	119
93	Q	25.7	Very low	26	Very low	152 Å²	152	148.7 Å²	148.7	71%	0.71	75%	0.75	S	S	*	*				177.5	176.5	54.8	-148.4	172.5	-71.2	0	0	108.7
94	D	23.3	Very low	26.4	Very low	123 Å²	123	143.8 Å²	143.8	66%	0.658	74%	0.739	S	S	*	*			trans	96.4	98.9	157.1	-50.6	-28.7	0	0	0	116.4
95	F	20.2	Very low	25.5	Very low	196 Å²	196	147.2 Å²	147.2	86%	0.86	74%	0.743	S	S	*	*				71	103.7	92.2	-91.8	-86	0	0	0	112.7
96	W	23.4	Very low	25.6	Very low	236 Å²	236	150.5 Å²	150.5	89%	0.894	75%	0.749	S	S	*	*			trans	-51.9	161.5	148.5	-94.6	30.5	0	0	0	110.3
97	P	40.6	Very low	25.8	Very low	99 Å²	99	153.1 Å²	153.1	64%	0.643	75%	0.748	S	S	*	*			cis	-152.3	179.7	41.1	37.8	-13.5	0	0	0	116.3
98	E	22.3	Very low	25.8	Very low	158 Å²	158	149.2 Å²	149.2	74%	0.738	74%	0.744	S	S	*	*				117.8	150.9	125	-96.2	-179.3	-173.7	0	0	110.3
99	Q	27.5	Very low	25.8	Very low	133 Å²	133	151 Å²	151	62%	0.621	75%	0.751	S	S	*	*			cis	-173.2	154.8	-22.9	-128.2	178	25.1	0	0	107.3
100	H	23.9	Very low	25.8	Very low	147 Å²	147	154.7 Å²	154.7	68%	0.681	76%	0.764	S	S	*	*			trans	70.8	133.4	162.6	-63.3	-65.2	0	0	0	118.3
101	I	25.5	Very low	25.8	Very low	156 Å²	156	155 Å²	155	80%	0.8	76%	0.758	S	S	*	*				-150.4	129.8	56.8	-71.7	170	0	0	0	113
102	K	26.3	Very low	26.1	Very low	184 Å²	184	153.4 Å²	153.4	80%	0.8	75%	0.747	S	S	*	*			trans	29.2	121.4	144.4	-64	176.6	177.9	174.6	0	123.8
103	D	26.1	Very low	26	Very low	139 Å²	139	156.6 Å²	156.6	74%	0.743	75%	0.749	S	S	*	*			trans	-46.5	152	146.4	-170.1	16.7	0	0	0	115.1	F105	D103-F105 PolarHBondContact OD1-N 2.8Å; D103-F105 VanDerWaalsContact OD1-N 3.11Å
104	P	33.7	Very low	26.2	Very low	103 Å²	103	158 Å²	158	67%	0.669	75%	0.753	S	S	*	*				-139.5	128.7	120.7	34.1	-19.1	0	0	0	113.1
105	F	21.9	Very low	26.4	Very low	181 Å²	181	157.8 Å²	157.8	79%	0.794	75%	0.751	S	S	*	*				-175.2	103.7	107.6	-108.1	-84.2	0	0	0	111.3	D103	D103-F105 PolarHBondContact OD1-N 2.8Å; D103-F105 VanDerWaalsContact OD1-N 3.11Å
106	Q	27.8	Very low	26.5	Very low	187 Å²	187	153.1 Å²	153.1	87%	0.874	74%	0.742	S	S	*	*			trans	-99.3	135.8	152.8	-85.6	-171.1	-18.1	0	0	109.4
107	K	27.1	Very low	26.5	Very low	197 Å²	197	149.7 Å²	149.7	86%	0.857	74%	0.736	S	S	*	*			trans	-151.4	125.1	149.1	-128.5	177.4	-175.5	178.4	0	110.8
108	A	24.5	Very low	25.8	Very low	90 Å²	90	152.8 Å²	152.8	74%	0.744	74%	0.741	S	S	*	*			trans	44	125.4	149.7	0	0	0	0	0	119
109	T	21.6	Very low	26	Very low	145 Å²	145	154.5 Å²	154.5	89%	0.89	75%	0.746	S	S	*	*				-160.8	146.4	50.8	-55.2	0	0	0	0	111.1
110	L	26.7	Very low	25.9	Very low	151 Å²	151	154.5 Å²	154.5	79%	0.791	75%	0.751	S	S	*	*			trans	-118.4	145.9	-172.1	-164.1	147.3	0	0	0	109.9
111	R	26.2	Very low	25.8	Very low	188 Å²	188	153.1 Å²	153.1	71%	0.709	75%	0.752	S	S	*	*			trans	137.4	134.9	150.6	-83.3	-173.2	172.9	-154.2	3.4	110.3
112	R	30.3	Very low	25.7	Very low	154 Å²	154	153 Å²	153	58%	0.581	75%	0.748	S	S	*	*			cis	-177.5	154.3	6.9	-125.2	164.3	174.3	-166.9	3	104.1
113	Y	22.4	Very low	25.5	Very low	170 Å²	170	150.5 Å²	150.5	67%	0.667	74%	0.742	S	S	*	*			cis	-158.2	129.9	26.2	-102.9	-81.5	0	0	0	105.7
114	K	28.2	Very low	25.3	Very low	182 Å²	182	152.7 Å²	152.7	79%	0.791	75%	0.746	S	S	*	*				46.3	123.8	76.8	-118.1	-172.1	172.7	-173.1	0	114.1
115	N	27.8	Very low	24.8	Very low	117 Å²	117	157.5 Å²	157.5	63%	0.626	76%	0.756	S	S	*	*				-171.7	151	70.1	-90.9	-22.8	0	0	0	115
116	C	22.9	Very low	24.9	Very low	98 Å²	98	155.6 Å²	155.6	66%	0.662	75%	0.754	S	S	*	*			trans	58.3	147.5	138.1	-71.2	0	0	0	0	121.2
117	E	23	Very low	24.8	Very low	165 Å²	165	154.8 Å²	154.8	77%	0.771	75%	0.75	S	S	*	*			cis	-167.8	166.7	4.7	-122.2	165.8	-158.1	0	0	111.5
118	H	26.8	Very low	24.6	Very low	163 Å²	163	153.7 Å²	153.7	76%	0.755	75%	0.745	S	S	*	*			trans	-30.7	153.6	175.4	-74.9	-119.1	0	0	0	122.2
119	K	26.4	Very low	24.6	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	75%	0.746	S	S	*	*				133	147.9	126.3	-74.3	-177.9	-172.9	173.8	0	111.5
120	N	23.9	Very low	24.7	Very low	133 Å²	133	153.5 Å²	153.5	71%	0.711	74%	0.739	S	S	*	*			cis	-176.2	154	-31.7	-135.6	-17.6	0	0	0	104.1
121	V	22.6	Very low	24.5	Very low	118 Å²	118	153.2 Å²	153.2	72%	0.715	74%	0.738	S	S	*	*			trans	71.9	138.7	146	173.1	0	0	0	0	116.7
122	H	22.7	Very low	24.3	Very low	152 Å²	152	152.6 Å²	152.6	70%	0.704	74%	0.743	S	S	*	*			cis	177.3	164.7	-17.5	-129	-32.8	0	0	0	107.2
123	L	22.1	Very low	23.9	Very low	132 Å²	132	150.1 Å²	150.1	69%	0.691	75%	0.748	S	S	*	*			trans	68.3	106.8	145.2	-69.4	154.8	0	0	0	118.2
124	K	22.6	Very low	23.9	Very low	186 Å²	186	150.7 Å²	150.7	81%	0.809	75%	0.754	S	S	*	*				59.2	119.6	86.9	-89.8	-169.9	173.3	179.6	0	114.5
125	K	24.1	Very low	23.7	Very low	204 Å²	204	147.7 Å²	147.7	89%	0.887	75%	0.751	S	S	*	*				-173.3	145.7	110.9	-106.1	176.2	179.3	177.8	0	112.8
126	D	23.2	Very low	23.5	Very low	141 Å²	141	149.9 Å²	149.9	75%	0.754	76%	0.757	S	S	*	*			trans	-69	153.6	175.8	-51.8	-75.9	0	0	0	113.3
127	H	24.9	Very low	23.5	Very low	169 Å²	169	156.5 Å²	156.5	78%	0.782	77%	0.768	S	S	*	*				159.8	158.5	94.8	-137	-98.5	0	0	0	111.8
128	K	24	Very low	23.6	Very low	175 Å²	175	152.5 Å²	152.5	76%	0.761	77%	0.771	S	S	*	*			trans	-63	152.3	-164.9	-59.3	165.6	177.9	173.2	0	116.2
129	S	24	Very low	23.4	Very low	108 Å²	108	148.6 Å²	148.6	76%	0.755	78%	0.775	S	S	*	*				157.6	146.1	95.6	86.6	0	0	0	0	114.7
130	V	23.2	Very low	23.3	Very low	122 Å²	122	149.6 Å²	149.6	74%	0.739	78%	0.775	S	S	*	*			trans	77.4	119.5	144.5	179.8	0	0	0	0	121.9
131	D	22.9	Very low	23.5	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	78%	0.782	S	S	*	*			trans	64.2	134.9	145.8	-70.4	-25	0	0	0	126.9
132	E	22.8	Very low	23.6	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	78%	0.781	S	S	*	*			trans	83.7	120.1	145	-80	-173.9	167	0	0	123.7
133	C	21.2	Very low	23.6	Very low	102 Å²	102	151.2 Å²	151.2	69%	0.689	79%	0.791	S	S	*	*			trans	62.4	110.6	138.8	-88.2	0	0	0	0	122.8
134	K	22.8	Very low	24	Very low	182 Å²	182	151.9 Å²	151.9	79%	0.791	80%	0.796	S	S	*	*				70.4	116.5	125.2	-78.8	-177.5	-178.4	168.7	0	120.7
135	V	24	Very low	24.1	Very low	119 Å²	119	151.9 Å²	151.9	72%	0.721	80%	0.798	S	S	*	*				98.2	103.8	122.6	176.8	0	0	0	0	119
136	H	23.7	Very low	24.1	Very low	162 Å²	162	148.2 Å²	148.2	75%	0.75	80%	0.797	S	S	*	*				88.2	137.2	129.2	-91.9	38.4	0	0	0	124.1
137	R	23.6	Very low	24.5	Very low	237 Å²	237	149.1 Å²	149.1	89%	0.894	80%	0.801	S	S	*	*			trans	73.8	132.6	158.7	-70.1	177	-165.4	-130.6	0.2	115
138	G	23.3	Very low	24.8	Very low	82 Å²	82	146.2 Å²	146.2	85%	0.845	80%	0.797	S	S	*	*			cis	126.9	122.1	20	0	0	0	0	0	107.7
139	G	23.3	Very low	24.9	Very low	80 Å²	80	142 Å²	142	83%	0.825	79%	0.794	S	S	*	*			trans	174.1	105.4	176.6	0	0	0	0	0	112.8
140	Y	25.1	Very low	25.3	Very low	217 Å²	217	142.7 Å²	142.7	85%	0.851	80%	0.795	S	S	*	*			trans	-86.5	144.1	177.1	-92.1	-102.9	0	0	0	111.4
141	N	26.4	Very low	25.6	Very low	159 Å²	159	145 Å²	145	85%	0.85	80%	0.797	S	S	*	*				156.7	139.4	109.6	-89.4	-28.6	0	0	0	115.9
142	G	25.3	Very low	26.1	Very low	68 Å²	68	142.6 Å²	142.6	70%	0.701	79%	0.792	S	S	*	*			trans	94.2	127	152.3	0	0	0	0	0	115.6
143	F	23.1	Very low	26.6	Very low	210 Å²	210	142.7 Å²	142.7	92%	0.921	79%	0.79	S	S	*	*			cis	-157.8	150.5	5.7	-123.6	-92.8	0	0	0	108.5
144	N	30.2	Very low	27.2	Very low	146 Å²	146	144.3 Å²	144.3	78%	0.781	79%	0.79	S	S	*	*			trans	-62.6	147	173.9	-75.9	-60.6	0	0	0	112.9
145	Q	25.6	Very low	27.5	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	79%	0.786	S	S	*	*				-172.6	140	124	-100.1	164.5	32.8	0	0	113.1
146	C	23.3	Very low	27.9	Very low	127 Å²	127	143.3 Å²	143.3	86%	0.858	78%	0.781	S	S	*	*			trans	77.4	91.6	168.5	-66.9	0	0	0	0	121.2
147	L	31.1	Very low	28.2	Very low	160 Å²	160	143.3 Å²	143.3	84%	0.838	78%	0.779	S	S	*	*			trans	-58	178.2	142.5	-108.8	76.7	0	0	0	110.6
148	P	32.6	Very low	28.5	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	76%	0.757	S	S	*	*			cis	-142.2	137.8	-23.1	33.8	-13.8	0	0	0	113.4
149	A	26.3	Very low	28.8	Very low	85 Å²	85	139.3 Å²	139.3	70%	0.702	75%	0.749	S	S	*	*	S	Bend	trans	-140.7	1.2	173	0	0	0	0	0	116.9
150	T	30.7	Very low	29.1	Very low	124 Å²	124	139.4 Å²	139.4	76%	0.761	74%	0.736	S	S	*	*	S	Bend	trans	-122.5	4	-171.1	-12.2	0	0	0	0	114.8
151	Q	30.8	Very low	29.4	Very low	171 Å²	171	132.4 Å²	132.4	80%	0.799	72%	0.715	S	S	*	*	S	Bend	trans	-101	-9.8	173.4	-98	170.6	-16.2	0	0	114.6
152	S	32.2	Very low	29.7	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-10.1	178.8	-56.9	0	0	0	0	114.6
153	K	33.8	Very low	29.8	Very low	178 Å²	178	131 Å²	131	77%	0.774	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-20.2	178.6	-69.9	-173.8	178.4	-177.4	0	114.5
154	I	33.5	Very low	30	Very low	136 Å²	136	128.2 Å²	128.2	70%	0.697	68%	0.682	S	S	*	*	H	α-helix	trans	-83	-18.7	173.7	-63.3	175.6	0	0	0	111.5
155	F	29.3	Very low	29.9	Very low	164 Å²	164	129 Å²	129	72%	0.719	68%	0.68	S	S	*	*	H	α-helix	trans	-80.9	-12.2	177.6	-153.6	-98.4	0	0	0	114.3
156	L	32.3	Very low	30.2	Very low	115 Å²	115	128.9 Å²	128.9	60%	0.602	68%	0.677	S	S	*	*	H	α-helix	trans	-88.2	-24.4	175.9	-84.5	158.3	0	0	0	113.2	C160	L156-C160 PolarHBondContact O-N 3.37Å
157	F	29.7	Very low	30.4	Very low	163 Å²	163	131.5 Å²	131.5	72%	0.715	67%	0.674	S	S	*	*	H	α-helix	trans	-74.7	-36.3	178.2	-143.2	-97.5	0	0	0	112.2	K159 C160 V161	F157-K159 VanDerWaalsContact C-N 3.26Å; F157-K159 PolarHBondContact O-N 2.87Å; F157-C160 PolarHBondContact O-N 3.15Å; F157-V161 HydrophobicContact CD1-CG2 4.46Å; F157-V161 WeakPolarHBondContact O-CG2 3.31Å; F157-V161 PolarHBondContact O-N 2.81Å
158	D	30	Very low	30.2	Very low	81 Å²	81	128.4 Å²	128.4	43%	0.433	67%	0.666	S	S	.	*	H	α-helix	trans	-76.5	-11.7	178.1	-162.1	39	0	0	0	113.2	K162	D158-K162 VanDerWaalsContact CG-NZ 3.3Å; D158-K162 WeakPolarHBondContact O-CD 3.39Å; D158-K162 WeakPolarHBondContact O-CG 3.31Å; D158-K162 WeakPolarHBondContact OD1-CE 3.45Å; D158-K162 IonicContact OD1-NZ 3.96Å; D158-K162 PolarHBondContact OD1-NZ 2.93Å; D158-K162 WeakPolarHBondContact OD2-CE 3.49Å; D158-K162 IonicContact OD2-NZ 3.13Å; D158-K162 PolarHBondContact OD2-NZ 3.48Å
159	K	30.7	Very low	29.9	Very low	154 Å²	154	131 Å²	131	67%	0.67	67%	0.674	S	S	*	*	H	α-helix	trans	-88.5	-31.1	174.6	-153.1	175.8	-177.9	-175.4	0	112.4	F157 A163	F157-K159 VanDerWaalsContact C-N 3.26Å; F157-K159 PolarHBondContact O-N 2.87Å; K159-A163 PolarHBondContact O-N 3.49Å
160	C	29.1	Very low	30	Very low	82 Å²	82	131.8 Å²	131.8	55%	0.554	67%	0.674	S	S	*	*	H	α-helix	trans	-77.6	-38.6	176.5	-65.6	0	0	0	0	112.6	L156 F157 K162 A163 F164	L156-C160 PolarHBondContact O-N 3.37Å; F157-C160 PolarHBondContact O-N 3.15Å; C160-K162 VanDerWaalsContact C-N 3.3Å; C160-K162 PolarHBondContact O-N 3.14Å; C160-A163 PolarHBondContact O-N 3.41Å; C160-A163 VanDerWaalsContact O-N 3.14Å; C160-F164 PolarHBondContact O-N 3.11Å
161	V	32.3	Very low	29.8	Very low	69 Å²	69	133.3 Å²	133.3	42%	0.418	68%	0.678	S	S	.	*	H	α-helix	trans	-67.5	-30.6	178.4	176.5	0	0	0	0	112.3	F157 H165	F157-V161 HydrophobicContact CD1-CG2 4.46Å; F157-V161 WeakPolarHBondContact O-CG2 3.31Å; F157-V161 PolarHBondContact O-N 2.81Å; V161-H165 PolarHBondContact O-N 3.26Å
162	K	31.2	Very low	29.5	Very low	136 Å²	136	136.5 Å²	136.5	59%	0.591	68%	0.683	S	S	*	*	H	α-helix	trans	-78.5	-17.6	174.7	-70.5	175.2	-169.5	158.9	0	113.8	D158 C160	D158-K162 VanDerWaalsContact CG-NZ 3.3Å; D158-K162 WeakPolarHBondContact O-CD 3.39Å; D158-K162 WeakPolarHBondContact O-CG 3.31Å; D158-K162 WeakPolarHBondContact OD1-CE 3.45Å; D158-K162 IonicContact OD1-NZ 3.96Å; D158-K162 PolarHBondContact OD1-NZ 2.93Å; D158-K162 WeakPolarHBondContact OD2-CE 3.49Å; D158-K162 IonicContact OD2-NZ 3.13Å; D158-K162 PolarHBondContact OD2-NZ 3.48Å; C160-K162 VanDerWaalsContact C-N 3.3Å; C160-K162 PolarHBondContact O-N 3.14Å
163	A	28.1	Very low	29.3	Very low	62 Å²	62	140.5 Å²	140.5	51%	0.512	69%	0.69	S	S	.	*	H	α-helix	trans	-82.3	-38.2	170.3	0	0	0	0	0	111.3	K159 C160 K166	K159-A163 PolarHBondContact O-N 3.49Å; C160-A163 PolarHBondContact O-N 3.41Å; C160-A163 VanDerWaalsContact O-N 3.14Å; A163-K166 PolarHBondContact O-N 3Å
164	F	27.9	Very low	29	Very low	151 Å²	151	142 Å²	142	66%	0.662	70%	0.697	S	S	*	*	H	α-helix	trans	-67.8	-39.6	180	-119.4	-94.4	0	0	0	113.6	C160 K166 F167	C160-F164 PolarHBondContact O-N 3.11Å; F164-K166 PolarHBondContact O-N 3.46Å; F164-K166 VanDerWaalsContact O-N 3.12Å; F164-F167 PolarHBondContact O-N 3.47Å
165	H	28.4	Very low	28.6	Very low	162 Å²	162	143.2 Å²	143.2	75%	0.75	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-8.9	175.5	-96.5	-62.4	0	0	0	114.6	V161	V161-H165 PolarHBondContact O-N 3.26Å
166	K	30.5	Very low	28.5	Very low	185 Å²	185	139.6 Å²	139.6	80%	0.804	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-8.1	177.7	-136	176.4	-177.7	-175.7	0	113.2	A163 F164	A163-K166 PolarHBondContact O-N 3Å; F164-K166 PolarHBondContact O-N 3.46Å; F164-K166 VanDerWaalsContact O-N 3.12Å
167	F	27.9	Very low	28.2	Very low	181 Å²	181	142.7 Å²	142.7	79%	0.794	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-26.7	-177.5	-138.1	-98.7	0	0	0	114	F164 N169	F164-F167 PolarHBondContact O-N 3.47Å; F167-N169 VanDerWaalsContact C-N 3.29Å; F167-N169 PolarHBondContact O-N 3.21Å; F167-N169 VanDerWaalsContact O-N 3.13Å
168	S	26.3	Very low	28.1	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	17.5	-178.1	-60.4	0	0	0	0	116.9
169	N	26.5	Very low	28.7	Very low	163 Å²	163	146.2 Å²	146.2	87%	0.872	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	14.2	174.6	-96.5	-26.4	0	0	0	114.3	F167	F167-N169 VanDerWaalsContact C-N 3.29Å; F167-N169 PolarHBondContact O-N 3.21Å; F167-N169 VanDerWaalsContact O-N 3.13Å
170	S	29	Very low	28.9	Very low	100 Å²	100	147.5 Å²	147.5	70%	0.699	74%	0.739	S	S	*	*	S	Bend	trans	-122.6	86.8	171.5	-153.5	0	0	0	0	110
171	N	25.8	Very low	29.6	Very low	156 Å²	156	152.9 Å²	152.9	83%	0.834	75%	0.754	S	S	*	*			trans	139.6	84.5	151	-75.5	-27.6	0	0	0	112.7
172	R	24.4	Very low	30.2	Very low	239 Å²	239	154.5 Å²	154.5	90%	0.902	76%	0.759	S	S	*	*			trans	-136.8	82.7	143.5	-149.2	-178.3	-155	-172.4	7.4	108
173	H	29	Very low	31.2	Very low	178 Å²	178	151.8 Å²	151.8	82%	0.824	75%	0.747	S	S	*	*			trans	179.4	102.7	141.1	-86.3	-46.7	0	0	0	109.5
174	K	26.4	Very low	32.3	Very low	209 Å²	209	155.8 Å²	155.8	91%	0.909	75%	0.753	S	S	*	*			trans	-170.7	115.4	134	-104	165.6	-174.2	-177.9	0	108.6
175	I	26.2	Very low	33.3	Very low	162 Å²	162	148.7 Å²	148.7	83%	0.831	72%	0.722	S	S	*	*			trans	-105.5	129.2	153.8	-69.1	177.7	0	0	0	106.4
176	S	27.2	Very low	34.3	Very low	87 Å²	87	150.9 Å²	150.9	61%	0.608	73%	0.73	S	S	*	*			trans	54.6	122.4	158.5	69	0	0	0	0	121.1
177	H	25.3	Very low	35	Very low	181 Å²	181	149.3 Å²	149.3	84%	0.838	73%	0.725	S	S	*	*				-156.1	117	109.4	-94	-65.5	0	0	0	110.9
178	T	27.7	Very low	36.2	Very low	125 Å²	125	143 Å²	143	77%	0.767	70%	0.703	S	S	*	*			trans	9.5	137	148.8	38.2	0	0	0	0	121.4
179	E	41.8	Very low	37.4	Very low	193 Å²	193	140.8 Å²	140.8	90%	0.902	70%	0.695	S	S	*	*			trans	-20.3	116.4	170.8	-63.3	176	142.9	0	0	117.2
180	K	35.2	Very low	38.6	Very low	180 Å²	180	139.1 Å²	139.1	78%	0.783	68%	0.68	S	S	*	*			trans	-143.5	126.3	154.2	-72.8	-168.7	178.1	175	0	111.4	L182	K180-L182 PolarHBondContact O-N 3.16Å
181	K	43.6	Very low	39.4	Very low	196 Å²	196	136.8 Å²	136.8	85%	0.852	66%	0.664	S	S	*	*			trans	-38.8	127.7	172.8	-115.4	171.5	177.2	171.4	0	112.3
182	L	45.7	Very low	41	Very low	102 Å²	102	131.2 Å²	131.2	53%	0.534	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-80	135.7	172.6	-81.6	87.9	0	0	0	111.6	K180 F192 C193	K180-L182 PolarHBondContact O-N 3.16Å; L182-F192 CarbonylContact C-O 3.42Å; L182-F192 WeakPolarHBondContact CA-O 3.28Å; L182-C193 HydrophobicContact CG-CB 4.49Å
183	F	52.8	Low	41.9	Very low	79 Å²	79	123.8 Å²	123.8	35%	0.346	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	119.8	173.4	-57.6	-83.6	0	0	0	110.5	F192 L195 L198	F183-F192 PolarHBondContact N-O 2.9Å; F183-F192 PolarHBondContact O-N 3.11Å; F183-L195 HydrophobicContact CD1-CD1 4Å; F183-L195 HydrophobicContact CD1-CD2 4.11Å; F183-L195 HydrophobicContact CD1-CG 3.64Å; F183-L195 HydrophobicContact CD2-CB 4.31Å; F183-L195 HydrophobicContact CD2-CG 3.85Å; F183-L195 HydrophobicContact CE1-CD1 3.38Å; F183-L195 HydrophobicContact CE1-CD2 4.33Å; F183-L195 HydrophobicContact CE1-CG 3.55Å; F183-L195 HydrophobicContact CE2-CB 4.21Å; F183-L195 HydrophobicContact CE2-CD1 3.99Å; F183-L195 HydrophobicContact CE2-CG 3.76Å; F183-L195 HydrophobicContact CG-CD2 4.38Å; F183-L195 HydrophobicContact CG-CG 3.79Å; F183-L195 HydrophobicContact CZ-CB 4.44Å; F183-L195 HydrophobicContact CZ-CD1 3.38Å; F183-L195 HydrophobicContact CZ-CG 3.62Å; F183-L198 HydrophobicContact CB-CB 4.5Å; F183-L198 HydrophobicContact CB-CD2 3.65Å
184	K	50.2	Low	42.5	Very low	146 Å²	146	120.4 Å²	120.4	64%	0.635	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.1	136.1	-179.6	-82.2	178.2	178.1	-179.7	0	112.5	K190 S191	K184-K190 WeakPolarHBondContact CA-O 3.4Å; K184-S191 WeakPolarHBondContact CE-OG 3.46Å; K184-S191 WeakPolarHBondContact CG-OG 3.03Å
185	C	48.7	Very low	43.4	Very low	2 Å²	2	115.2 Å²	115.2	1%	0.014	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-76	118.5	166.9	-171.6	0	0	0	0	109.6	E187 C188 G189 K190 F192 L198	C185-E187 VanDerWaalsContact C-N 3.25Å; C185-E187 PolarHBondContact O-N 3.34Å; C185-C188 VanDerWaalsContact CB-SG 3.57Å; C185-C188 VanDerWaalsContact SG-SG 3.67Å; C185-G189 WeakPolarHBondContact O-CA 3.24Å; C185-G189 PolarHBondContact O-N 2.88Å; C185-K190 PolarHBondContact N-O 3.35Å; C185-F192 HydrophobicContact CB-CE2 4.29Å; C185-L198 HydrophobicContact CB-CD1 3.47Å; C185-L198 VanDerWaalsContact CB-CD1 3.47Å
186	K	49.6	Very low	44.2	Very low	209 Å²	209	111.3 Å²	111.3	91%	0.909	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-22.6	-177.8	-73.5	-171.4	176.4	-174.7	0	113.9
187	E	46.3	Very low	45.1	Very low	152 Å²	152	111.9 Å²	111.9	71%	0.71	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-25.6	-177.6	-69	-177.4	-175.7	0	0	114.5	C185	C185-E187 VanDerWaalsContact C-N 3.25Å; C185-E187 PolarHBondContact O-N 3.34Å
188	C	51.7	Low	46.5	Very low	47 Å²	47	103.9 Å²	103.9	32%	0.318	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	2	-175.8	72.8	0	0	0	0	114.3	C185 K190 H201	C185-C188 VanDerWaalsContact CB-SG 3.57Å; C185-C188 VanDerWaalsContact SG-SG 3.67Å; C188-K190 PolarHBondContact O-N 2.86Å; C188-H201 PolarHBondContact SG-NE2 3.29Å
189	G	52.1	Low	47.6	Very low	50 Å²	50	100.2 Å²	100.2	52%	0.515	51%	0.508	S	S	.	.			trans	71.1	-2.9	175.8	0	0	0	0	0	116.1	C185	C185-G189 WeakPolarHBondContact O-CA 3.24Å; C185-G189 PolarHBondContact O-N 2.88Å
190	K	52.3	Low	47.9	Very low	128 Å²	128	96.9 Å²	96.9	56%	0.557	49%	0.492	S	S	*	.			trans	-70.7	133.9	-178.3	-72.8	-178.9	179.6	174.6	0	111.9	K184 C185 C188 F192	K184-K190 WeakPolarHBondContact CA-O 3.4Å; C185-K190 PolarHBondContact N-O 3.35Å; C188-K190 PolarHBondContact O-N 2.86Å; K190-F192 HydrophobicContact CB-CE2 3.71Å; K190-F192 HydrophobicContact CB-CZ 3.82Å; K190-F192 WeakPolarHBondContact O-CD2 3.29Å; K190-F192 WeakPolarHBondContact O-CE2 3.49Å
191	S	46.4	Very low	49	Very low	52 Å²	52	89.6 Å²	89.6	36%	0.364	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.8	-177.7	-50.4	0	0	0	0	109.9	K184	K184-S191 WeakPolarHBondContact CE-OG 3.46Å; K184-S191 WeakPolarHBondContact CG-OG 3.03Å
192	F	58.8	Low	49.2	Very low	39 Å²	39	85.4 Å²	85.4	17%	0.171	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.2	-178.5	-60.1	-89	0	0	0	110.1	L182 F183 C185 K190 M194 H197 L198 H201	L182-F192 CarbonylContact C-O 3.42Å; L182-F192 WeakPolarHBondContact CA-O 3.28Å; F183-F192 PolarHBondContact N-O 2.9Å; F183-F192 PolarHBondContact O-N 3.11Å; C185-F192 HydrophobicContact CB-CE2 4.29Å; K190-F192 HydrophobicContact CB-CE2 3.71Å; K190-F192 HydrophobicContact CB-CZ 3.82Å; K190-F192 WeakPolarHBondContact O-CD2 3.29Å; K190-F192 WeakPolarHBondContact O-CE2 3.49Å; F192-M194 PolarHBondContact O-N 3.03Å; F192-H197 HydrophobicContact CB-CB 4.35Å; F192-H197 HydrophobicContact CD1-CB 3.98Å; F192-H197 HydrophobicContact CG-CB 4.48Å; F192-L198 HydrophobicContact CB-CB 4.13Å; F192-L198 HydrophobicContact CD2-CB 3.87Å; F192-L198 HydrophobicContact CD2-CD1 3.66Å; F192-L198 HydrophobicContact CD2-CG 4.34Å; F192-L198 HydrophobicContact CE2-CD1 3.84Å; F192-L198 HydrophobicContact CG-CB 4.13Å; F192-H201 HydrophobicContact CE1-CB 3.99Å; F192-H201 HydrophobicContact CE2-CB 4.03Å; F192-H201 AromaticContact CE2-CD2 3.55Å; F192-H201 AromaticContact CE2-CG 3.83Å; F192-H201 HydrophobicContact CZ-CB 3.54Å; F192-H201 AromaticContact CZ-CD2 3.41Å; F192-H201 VanDerWaalsContact CZ-CD2 3.41Å; F192-H201 WeakPolarHBondContact CZ-CD2 3.38Å; F192-H201 AromaticContact CZ-CG 3.27Å; F192-H201 AromaticContact CZ-ND1 3.81Å; F192-H201 AromaticContact CZ-NE2 3.99Å
193	C	42.8	Very low	49.5	Very low	83 Å²	83	84.6 Å²	84.6	56%	0.561	44%	0.438	S	S	*	.	S	Bend	trans	-73	-8	179.8	28.9	0	0	0	0	114	L182	L182-C193 HydrophobicContact CG-CB 4.49Å
194	M	41.7	Very low	49.4	Very low	107 Å²	107	86.9 Å²	86.9	53%	0.527	45%	0.452	S	S	.	.	S	Bend	trans	-143.7	133	177.3	-64.9	-69.3	-81.7	0	0	110.9	F192 P196 H197 L198	F192-M194 PolarHBondContact O-N 3.03Å; M194-P196 VanDerWaalsContact C-CD 3.41Å; M194-P196 VanDerWaalsContact C-N 3.34Å; M194-H197 PolarHBondContact O-N 3.14Å; M194-L198 PolarHBondContact O-N 3.36Å
195	L	44.8	Very low	49.2	Very low	99 Å²	99	84.8 Å²	84.8	52%	0.518	45%	0.445	S	S	.	.	H	α-helix	trans	-50.2	-38.8	177.3	-102.7	157	0	0	0	114.8	F183 H197 L198 A199	F183-L195 HydrophobicContact CD1-CD1 4Å; F183-L195 HydrophobicContact CD1-CD2 4.11Å; F183-L195 HydrophobicContact CD1-CG 3.64Å; F183-L195 HydrophobicContact CD2-CB 4.31Å; F183-L195 HydrophobicContact CD2-CG 3.85Å; F183-L195 HydrophobicContact CE1-CD1 3.38Å; F183-L195 HydrophobicContact CE1-CD2 4.33Å; F183-L195 HydrophobicContact CE1-CG 3.55Å; F183-L195 HydrophobicContact CE2-CB 4.21Å; F183-L195 HydrophobicContact CE2-CD1 3.99Å; F183-L195 HydrophobicContact CE2-CG 3.76Å; F183-L195 HydrophobicContact CG-CD2 4.38Å; F183-L195 HydrophobicContact CG-CG 3.79Å; F183-L195 HydrophobicContact CZ-CB 4.44Å; F183-L195 HydrophobicContact CZ-CD1 3.38Å; F183-L195 HydrophobicContact CZ-CG 3.62Å; L195-H197 VanDerWaalsContact C-N 3.32Å; L195-H197 PolarHBondContact O-N 3.19Å; L195-L198 PolarHBondContact O-N 3.27Å; L195-A199 PolarHBondContact O-N 3.42Å
196	P	43.2	Very low	49.1	Very low	81 Å²	81	88.5 Å²	88.5	53%	0.526	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-30.4	176.5	-25.7	35.2	0	0	0	114.6	M194 A199 Q200	M194-P196 VanDerWaalsContact C-CD 3.41Å; M194-P196 VanDerWaalsContact C-N 3.34Å; P196-A199 PolarHBondContact O-N 2.86Å; P196-Q200 PolarHBondContact O-N 3.1Å
197	H	46.9	Very low	49.1	Very low	99 Å²	99	90.4 Å²	90.4	46%	0.458	47%	0.469	S	S	.	.	H	α-helix	trans	-76	-35.3	176.3	-66.1	165.5	0	0	0	111.4	F192 M194 L195 A199 H201	F192-H197 HydrophobicContact CB-CB 4.35Å; F192-H197 HydrophobicContact CD1-CB 3.98Å; F192-H197 HydrophobicContact CG-CB 4.48Å; M194-H197 PolarHBondContact O-N 3.14Å; L195-H197 VanDerWaalsContact C-N 3.32Å; L195-H197 PolarHBondContact O-N 3.19Å; H197-A199 VanDerWaalsContact C-N 3.33Å; H197-H201 VanDerWaalsContact O-CB 3.24Å; H197-H201 WeakPolarHBondContact O-CB 3.48Å; H197-H201 PolarHBondContact O-N 3.09Å
198	L	53.4	Low	49	Very low	12 Å²	12	87.3 Å²	87.3	6%	0.063	46%	0.46	C	S	.	.	H	α-helix	trans	-64.6	-39.3	168	176.6	60.6	0	0	0	111.1	F183 C185 F192 M194 L195 H201 K202	F183-L198 HydrophobicContact CB-CB 4.5Å; F183-L198 HydrophobicContact CB-CD2 3.65Å; C185-L198 HydrophobicContact CB-CD1 3.47Å; C185-L198 VanDerWaalsContact CB-CD1 3.47Å; F192-L198 HydrophobicContact CB-CB 4.13Å; F192-L198 HydrophobicContact CD2-CB 3.87Å; F192-L198 HydrophobicContact CD2-CD1 3.66Å; F192-L198 HydrophobicContact CD2-CG 4.34Å; F192-L198 HydrophobicContact CE2-CD1 3.84Å; F192-L198 HydrophobicContact CG-CB 4.13Å; M194-L198 PolarHBondContact O-N 3.36Å; L195-L198 PolarHBondContact O-N 3.27Å; L198-H201 PolarHBondContact O-N 3.05Å; L198-K202 HydrophobicContact CD1-CD 4.47Å; L198-K202 HydrophobicContact CD1-CG 4.24Å; L198-K202 HydrophobicContact CG-CD 4.44Å; L198-K202 WeakPolarHBondContact O-CG 3.19Å; L198-K202 PolarHBondContact O-N 3.25Å
199	A	51.2	Low	48.8	Very low	48 Å²	48	90 Å²	90	40%	0.397	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-45.6	176.1	0	0	0	0	0	112	L195 P196 H197 H201 K202 I203	L195-A199 PolarHBondContact O-N 3.42Å; P196-A199 PolarHBondContact O-N 2.86Å; H197-A199 VanDerWaalsContact C-N 3.33Å; A199-H201 VanDerWaalsContact C-N 3.3Å; A199-H201 PolarHBondContact O-N 3.15Å; A199-K202 PolarHBondContact O-N 3.24Å; A199-I203 WeakPolarHBondContact O-CD1 3.37Å; A199-I203 WeakPolarHBondContact O-CG1 3.33Å; A199-I203 PolarHBondContact O-N 3.45Å
200	Q	49.4	Very low	48.8	Very low	124 Å²	124	94.7 Å²	94.7	58%	0.579	48%	0.478	S	S	*	.	H	α-helix	trans	-61	-38.1	172.2	-91.4	-179.8	-23.5	0	0	112.7	P196 I203 I204	P196-Q200 PolarHBondContact O-N 3.1Å; Q200-I203 PolarHBondContact O-N 3.18Å; Q200-I204 WeakPolarHBondContact O-CD1 3.46Å; Q200-I204 VanDerWaalsContact O-CG1 3.31Å; Q200-I204 WeakPolarHBondContact O-CG1 3.27Å; Q200-I204 PolarHBondContact O-N 2.94Å
201	H	56.6	Low	48.8	Very low	27 Å²	27	91.5 Å²	91.5	13%	0.125	47%	0.471	C	S	.	.	H	α-helix	trans	-68.5	-40.6	178	-176.9	65	0	0	0	112.5	C188 F192 H197 L198 A199 I203 I204 H205	C188-H201 PolarHBondContact SG-NE2 3.29Å; F192-H201 HydrophobicContact CE1-CB 3.99Å; F192-H201 HydrophobicContact CE2-CB 4.03Å; F192-H201 AromaticContact CE2-CD2 3.55Å; F192-H201 AromaticContact CE2-CG 3.83Å; F192-H201 HydrophobicContact CZ-CB 3.54Å; F192-H201 AromaticContact CZ-CD2 3.41Å; F192-H201 VanDerWaalsContact CZ-CD2 3.41Å; F192-H201 WeakPolarHBondContact CZ-CD2 3.38Å; F192-H201 AromaticContact CZ-CG 3.27Å; F192-H201 AromaticContact CZ-ND1 3.81Å; F192-H201 AromaticContact CZ-NE2 3.99Å; H197-H201 VanDerWaalsContact O-CB 3.24Å; H197-H201 WeakPolarHBondContact O-CB 3.48Å; H197-H201 PolarHBondContact O-N 3.09Å; L198-H201 PolarHBondContact O-N 3.05Å; A199-H201 VanDerWaalsContact C-N 3.3Å; A199-H201 PolarHBondContact O-N 3.15Å; H201-I203 VanDerWaalsContact C-N 3.35Å; H201-I204 PolarHBondContact O-N 3.42Å; H201-H205 AromaticContact CE1-CD2 3.75Å; H201-H205 AromaticContact NE2-CD2 3.85Å; H201-H205 PolarHBondContact O-N 2.8Å
202	K	48.6	Very low	49.2	Very low	107 Å²	107	96 Å²	96	47%	0.465	48%	0.484	S	S	.	.	H	α-helix	trans	-63	-39.2	173	-74.8	-177.8	175.7	-171.3	0	112.1	L198 A199 I204 H205 T206	L198-K202 HydrophobicContact CD1-CD 4.47Å; L198-K202 HydrophobicContact CD1-CG 4.24Å; L198-K202 HydrophobicContact CG-CD 4.44Å; L198-K202 WeakPolarHBondContact O-CG 3.19Å; L198-K202 PolarHBondContact O-N 3.25Å; A199-K202 PolarHBondContact O-N 3.24Å; K202-I204 PolarHBondContact O-N 3.32Å; K202-H205 PolarHBondContact O-N 2.82Å; K202-H205 VanDerWaalsContact O-N 3.14Å; K202-T206 PolarHBondContact O-N 3.32Å; K202-T206 VanDerWaalsContact O-N 3.09Å; K202-T206 PolarHBondContact O-OG1 3.27Å; K202-T206 VanDerWaalsContact O-OG1 3.13Å
203	I	52.3	Low	49	Very low	86 Å²	86	94.4 Å²	94.4	44%	0.441	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-29.8	175.5	-69.4	162.6	0	0	0	112.4	A199 Q200 H201 N221	A199-I203 WeakPolarHBondContact O-CD1 3.37Å; A199-I203 WeakPolarHBondContact O-CG1 3.33Å; A199-I203 PolarHBondContact O-N 3.45Å; Q200-I203 PolarHBondContact O-N 3.18Å; H201-I203 VanDerWaalsContact C-N 3.35Å; I203-N221 HydrophobicContact CG2-CB 4.1Å
204	I	49.4	Very low	49.4	Very low	126 Å²	126	99.2 Å²	99.2	65%	0.646	49%	0.492	S	S	*	.	H	α-helix	trans	-80.1	-28.1	178	-66.6	164.1	0	0	0	111.4	Q200 H201 K202	Q200-I204 WeakPolarHBondContact O-CD1 3.46Å; Q200-I204 VanDerWaalsContact O-CG1 3.31Å; Q200-I204 WeakPolarHBondContact O-CG1 3.27Å; Q200-I204 PolarHBondContact O-N 2.94Å; H201-I204 PolarHBondContact O-N 3.42Å; K202-I204 PolarHBondContact O-N 3.32Å
205	H	47.9	Very low	49.9	Very low	102 Å²	102	103 Å²	103	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-84.7	-34.7	-178.2	-108.3	-89.2	0	0	0	113.7	H201 K202 R207	H201-H205 AromaticContact CE1-CD2 3.75Å; H201-H205 AromaticContact NE2-CD2 3.85Å; H201-H205 PolarHBondContact O-N 2.8Å; K202-H205 PolarHBondContact O-N 2.82Å; K202-H205 VanDerWaalsContact O-N 3.14Å; H205-R207 PolarHBondContact O-N 3.34Å
206	T	45.2	Very low	50.4	Low	81 Å²	81	100.9 Å²	100.9	50%	0.497	50%	0.499	S	S	.	.	S	Bend	trans	-84.7	93.2	174.2	53.1	0	0	0	0	110.2	K202 V208	K202-T206 PolarHBondContact O-N 3.32Å; K202-T206 VanDerWaalsContact O-N 3.09Å; K202-T206 PolarHBondContact O-OG1 3.27Å; K202-T206 VanDerWaalsContact O-OG1 3.13Å; T206-V208 VanDerWaalsContact C-N 3.27Å; T206-V208 PolarHBondContact O-N 2.81Å
207	R	49.9	Very low	51	Low	248 Å²	248	99.9 Å²	99.9	94%	0.936	50%	0.502	S	S	*	.			trans	-63	86.2	168.5	-86.6	-176.6	174.1	173.5	-0.6	110.3	H205	H205-R207 PolarHBondContact O-N 3.34Å
208	V	44.1	Very low	51.4	Low	88 Å²	88	101.2 Å²	101.2	53%	0.533	51%	0.507	S	S	.	.			trans	-137.7	107.2	158.8	-173.5	0	0	0	0	107.8	T206 F210	T206-V208 VanDerWaalsContact C-N 3.27Å; T206-V208 PolarHBondContact O-N 2.81Å; V208-F210 HydrophobicContact CB-CE2 4.01Å; V208-F210 HydrophobicContact CB-CZ 4.23Å; V208-F210 HydrophobicContact CG1-CD2 4.48Å; V208-F210 HydrophobicContact CG1-CE1 4.23Å; V208-F210 HydrophobicContact CG1-CE2 4.05Å; V208-F210 HydrophobicContact CG1-CZ 3.91Å; V208-F210 VanDerWaalsContact O-CD2 3.31Å; V208-F210 WeakPolarHBondContact O-CD2 3.26Å; V208-F210 PolarHBondContact O-N 3.28Å
209	N	47.5	Very low	51.3	Low	102 Å²	102	102.7 Å²	102.7	55%	0.545	52%	0.521	S	S	.	.			trans	-73.6	111.2	174.9	-72.8	-51.5	0	0	0	108.8	A219	N209-A219 HydrophobicContact CB-CB 4.33Å
210	F	51.8	Low	51.9	Low	149 Å²	149	102 Å²	102	65%	0.654	51%	0.509	S	S	*	.			trans	-80.9	-21.7	-174.2	-80.6	-79.6	0	0	0	115.5	V208	V208-F210 HydrophobicContact CB-CE2 4.01Å; V208-F210 HydrophobicContact CB-CZ 4.23Å; V208-F210 HydrophobicContact CG1-CD2 4.48Å; V208-F210 HydrophobicContact CG1-CE1 4.23Å; V208-F210 HydrophobicContact CG1-CE2 4.05Å; V208-F210 HydrophobicContact CG1-CZ 3.91Å; V208-F210 VanDerWaalsContact O-CD2 3.31Å; V208-F210 WeakPolarHBondContact O-CD2 3.26Å; V208-F210 PolarHBondContact O-N 3.28Å
211	C	53	Low	51.8	Low	62 Å²	62	100.2 Å²	100.2	42%	0.419	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	146.6	173.4	-84.4	0	0	0	0	111.4	F220 I226	C211-F220 PolarHBondContact O-N 2.91Å; C211-F220 VanDerWaalsContact O-N 3.09Å; C211-I226 HydrophobicContact CB-CD1 3.26Å; C211-I226 WeakPolarHBondContact O-CD1 3.47Å
212	K	54.3	Low	51.2	Low	146 Å²	146	101.4 Å²	101.4	64%	0.635	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.4	173.6	-67.3	178.8	-177.2	173.6	0	110.2	E214 A219	K212-E214 PolarHBondContact O-N 3.4Å; K212-A219 HydrophobicContact CG-CB 4.07Å
213	C	55.4	Low	51.1	Low	6 Å²	6	100 Å²	100	4%	0.041	52%	0.516	C	S	.	.			trans	-80.5	109.5	172.9	-179.5	0	0	0	0	109.8	K215 C216 G217 K218 F220	C213-K215 VanDerWaalsContact C-N 3.25Å; C213-K215 PolarHBondContact O-N 2.8Å; C213-C216 PolarHBondContact O-N 3.33Å; C213-G217 WeakPolarHBondContact O-CA 3.4Å; C213-G217 PolarHBondContact O-N 3.3Å; C213-K218 PolarHBondContact N-O 3.36Å; C213-F220 HydrophobicContact CB-CE2 3.94Å
214	E	51.6	Low	51.2	Low	184 Å²	184	99.5 Å²	99.5	86%	0.86	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.6	-177.1	-70.8	171.4	158.7	0	0	113.9	K212	K212-E214 PolarHBondContact O-N 3.4Å
215	K	51.9	Low	51.4	Low	187 Å²	187	97.7 Å²	97.7	81%	0.813	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-26	180	-84.2	-172	176.1	-178.8	0	115.1	C213	C213-K215 VanDerWaalsContact C-N 3.25Å; C213-K215 PolarHBondContact O-N 2.8Å
216	C	54	Low	51.8	Low	54 Å²	54	93.4 Å²	93.4	37%	0.365	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	3.9	-173	73	0	0	0	0	114.5	C213 K218 H229	C213-C216 PolarHBondContact O-N 3.33Å; C216-K218 PolarHBondContact O-N 3.18Å; C216-H229 PolarHBondContact SG-NE2 2.77Å
217	G	56.5	Low	52.3	Low	59 Å²	59	92.4 Å²	92.4	61%	0.608	49%	0.485	S	S	*	.			trans	67.4	-1.2	177.4	0	0	0	0	0	115.6	C213 A219	C213-G217 WeakPolarHBondContact O-CA 3.4Å; C213-G217 PolarHBondContact O-N 3.3Å; G217-A219 PolarHBondContact O-N 3.35Å
218	K	54.3	Low	52.7	Low	128 Å²	128	85.6 Å²	85.6	56%	0.557	46%	0.462	S	S	*	.			trans	-75.2	127.9	-176.8	-69.3	-176.2	179.5	-179.7	0	111.2	C213 C216 F220	C213-K218 PolarHBondContact N-O 3.36Å; C216-K218 PolarHBondContact O-N 3.18Å; K218-F220 HydrophobicContact CB-CD2 4.49Å; K218-F220 HydrophobicContact CB-CE2 3.65Å; K218-F220 HydrophobicContact CB-CZ 3.82Å; K218-F220 VanDerWaalsContact O-CD2 3.23Å; K218-F220 WeakPolarHBondContact O-CD2 3.33Å; K218-F220 VanDerWaalsContact O-CE2 3.23Å; K218-F220 WeakPolarHBondContact O-CE2 3.49Å
219	A	51.6	Low	53.6	Low	42 Å²	42	83.1 Å²	83.1	35%	0.347	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.6	173.3	0	0	0	0	0	110.4	N209 K212 G217	N209-A219 HydrophobicContact CB-CB 4.33Å; K212-A219 HydrophobicContact CG-CB 4.07Å; G217-A219 PolarHBondContact O-N 3.35Å
220	F	63.8	Low	53.9	Low	34 Å²	34	82.9 Å²	82.9	15%	0.149	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.5	178.3	-59.7	-94.3	0	0	0	110.7	C211 C213 K218 C222 I225 I226 H229	C211-F220 PolarHBondContact O-N 2.91Å; C211-F220 VanDerWaalsContact O-N 3.09Å; C213-F220 HydrophobicContact CB-CE2 3.94Å; K218-F220 HydrophobicContact CB-CD2 4.49Å; K218-F220 HydrophobicContact CB-CE2 3.65Å; K218-F220 HydrophobicContact CB-CZ 3.82Å; K218-F220 VanDerWaalsContact O-CD2 3.23Å; K218-F220 WeakPolarHBondContact O-CD2 3.33Å; K218-F220 VanDerWaalsContact O-CE2 3.23Å; K218-F220 WeakPolarHBondContact O-CE2 3.49Å; F220-C222 VanDerWaalsContact C-N 3.28Å; F220-C222 PolarHBondContact O-N 3.48Å; F220-I225 HydrophobicContact CD1-CG2 3.67Å; F220-I225 HydrophobicContact CE1-CG2 4.25Å; F220-I225 HydrophobicContact CG-CG2 4.46Å; F220-I226 HydrophobicContact CB-CD1 3.85Å; F220-I226 HydrophobicContact CB-CG1 3.67Å; F220-I226 HydrophobicContact CD2-CD1 3.72Å; F220-I226 HydrophobicContact CD2-CG1 3.2Å; F220-I226 HydrophobicContact CE2-CG1 3.98Å; F220-I226 HydrophobicContact CG-CD1 4.17Å; F220-I226 HydrophobicContact CG-CG1 3.61Å; F220-H229 HydrophobicContact CE1-CB 4.2Å; F220-H229 HydrophobicContact CE2-CB 4.43Å; F220-H229 AromaticContact CE2-CD2 3.71Å; F220-H229 HydrophobicContact CZ-CB 3.89Å; F220-H229 AromaticContact CZ-CD2 3.45Å; F220-H229 VanDerWaalsContact CZ-CD2 3.45Å; F220-H229 WeakPolarHBondContact CZ-CD2 3.29Å; F220-H229 AromaticContact CZ-CE1 3.93Å; F220-H229 AromaticContact CZ-CG 3.4Å; F220-H229 AromaticContact CZ-ND1 3.72Å; F220-H229 AromaticContact CZ-NE2 3.79Å
221	N	47.2	Very low	54.3	Low	87 Å²	87	80.4 Å²	80.4	47%	0.465	43%	0.425	S	S	.	.	S	Bend	trans	-83.6	0.5	-173.3	-62.9	5.2	0	0	0	113.4	I203	I203-N221 HydrophobicContact CG2-CB 4.1Å
222	C	44.9	Very low	54.5	Low	51 Å²	51	83 Å²	83	35%	0.345	43%	0.433	S	S	.	.	S	Bend	trans	-154.5	134	-179.7	-161.6	0	0	0	0	111.6	F220 S224 I225 I226	F220-C222 VanDerWaalsContact C-N 3.28Å; F220-C222 PolarHBondContact O-N 3.48Å; C222-S224 VanDerWaalsContact C-N 3.3Å; C222-S224 PolarHBondContact O-N 3.2Å; C222-S224 PolarHBondContact SG-OG 2.84Å; C222-I225 HydrophobicContact CB-CD1 4.11Å; C222-I225 HydrophobicContact CB-CG1 4.18Å; C222-I225 PolarHBondContact O-N 3.35Å; C222-I225 VanDerWaalsContact O-N 3.12Å; C222-I226 PolarHBondContact O-N 3.38Å
223	P	46.7	Very low	54.3	Low	78 Å²	78	81.1 Å²	81.1	51%	0.506	43%	0.43	S	S	.	.	H	α-helix	trans	-56.4	-36.9	-179.4	-28.7	35.8	0	0	0	114.4	I225 I226 T227	P223-I225 VanDerWaalsContact C-N 3.27Å; P223-I225 PolarHBondContact O-N 3.27Å; P223-I226 CarbonylContact O-C 3.25Å; P223-I226 WeakPolarHBondContact O-CA 3.39Å; P223-I226 WeakPolarHBondContact O-CB 3.46Å; P223-I226 PolarHBondContact O-N 2.87Å; P223-I226 VanDerWaalsContact O-N 3.09Å; P223-T227 PolarHBondContact O-N 3.27Å; P223-T227 PolarHBondContact O-OG1 3.45Å
224	S	53.6	Low	54.1	Low	76 Å²	76	83.8 Å²	83.8	53%	0.531	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-30.3	179.1	59.7	0	0	0	0	113.5	C222 T227 K228	C222-S224 VanDerWaalsContact C-N 3.3Å; C222-S224 PolarHBondContact O-N 3.2Å; C222-S224 PolarHBondContact SG-OG 2.84Å; S224-T227 PolarHBondContact O-N 2.96Å; S224-K228 WeakPolarHBondContact O-CB 3.41Å; S224-K228 PolarHBondContact O-N 3.49Å
225	I	54.9	Low	54.3	Low	87 Å²	87	77.4 Å²	77.4	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-76	-35.3	176	-59.7	179.5	0	0	0	110.1	F220 C222 P223 K228 H229	F220-I225 HydrophobicContact CD1-CG2 3.67Å; F220-I225 HydrophobicContact CE1-CG2 4.25Å; F220-I225 HydrophobicContact CG-CG2 4.46Å; C222-I225 HydrophobicContact CB-CD1 4.11Å; C222-I225 HydrophobicContact CB-CG1 4.18Å; C222-I225 PolarHBondContact O-N 3.35Å; C222-I225 VanDerWaalsContact O-N 3.12Å; P223-I225 VanDerWaalsContact C-N 3.27Å; P223-I225 PolarHBondContact O-N 3.27Å; I225-K228 PolarHBondContact O-N 2.88Å; I225-H229 VanDerWaalsContact O-CB 3.23Å; I225-H229 WeakPolarHBondContact O-CB 3.43Å; I225-H229 PolarHBondContact O-N 3.4Å
226	I	56.6	Low	54.4	Low	13 Å²	13	74.4 Å²	74.4	7%	0.067	42%	0.419	C	S	.	.	H	α-helix	trans	-64	-42.9	168.4	-88.2	165.3	0	0	0	111.1	C211 F220 C222 P223 K228 H229 K230	C211-I226 HydrophobicContact CB-CD1 3.26Å; C211-I226 WeakPolarHBondContact O-CD1 3.47Å; F220-I226 HydrophobicContact CB-CD1 3.85Å; F220-I226 HydrophobicContact CB-CG1 3.67Å; F220-I226 HydrophobicContact CD2-CD1 3.72Å; F220-I226 HydrophobicContact CD2-CG1 3.2Å; F220-I226 HydrophobicContact CE2-CG1 3.98Å; F220-I226 HydrophobicContact CG-CD1 4.17Å; F220-I226 HydrophobicContact CG-CG1 3.61Å; C222-I226 PolarHBondContact O-N 3.38Å; P223-I226 CarbonylContact O-C 3.25Å; P223-I226 WeakPolarHBondContact O-CA 3.39Å; P223-I226 WeakPolarHBondContact O-CB 3.46Å; P223-I226 PolarHBondContact O-N 2.87Å; P223-I226 VanDerWaalsContact O-N 3.09Å; I226-K228 VanDerWaalsContact C-N 3.28Å; I226-K228 PolarHBondContact O-N 3.49Å; I226-H229 PolarHBondContact O-N 2.98Å; I226-K230 HydrophobicContact CG2-CD 3.89Å; I226-K230 HydrophobicContact CG2-CG 4.19Å; I226-K230 VanDerWaalsContact O-CB 3.28Å; I226-K230 WeakPolarHBondContact O-CB 3.43Å; I226-K230 WeakPolarHBondContact O-CG 3.46Å; I226-K230 PolarHBondContact O-N 3.38Å
227	T	54.7	Low	54.6	Low	59 Å²	59	77.5 Å²	77.5	36%	0.362	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-39	177.2	-35.9	0	0	0	0	111	P223 S224 R231	P223-T227 PolarHBondContact O-N 3.27Å; P223-T227 PolarHBondContact O-OG1 3.45Å; S224-T227 PolarHBondContact O-N 2.96Å; T227-R231 WeakPolarHBondContact O-CB 3.34Å; T227-R231 VanDerWaalsContact O-CG 3.25Å; T227-R231 WeakPolarHBondContact O-CG 3.44Å; T227-R231 PolarHBondContact O-N 3.43Å
228	K	58.6	Low	54.6	Low	106 Å²	106	78.2 Å²	78.2	46%	0.461	42%	0.42	S	S	.	.	H	α-helix	trans	-68.3	-40.5	174.9	-170.9	170.3	173.5	174.3	0	112.1	S224 I225 I226 I232 W250	S224-K228 WeakPolarHBondContact O-CB 3.41Å; S224-K228 PolarHBondContact O-N 3.49Å; I225-K228 PolarHBondContact O-N 2.88Å; I226-K228 VanDerWaalsContact C-N 3.28Å; I226-K228 PolarHBondContact O-N 3.49Å; K228-I232 HydrophobicContact CG-CD1 4.04Å; K228-I232 WeakPolarHBondContact O-CB 3.01Å; K228-I232 WeakPolarHBondContact O-CD1 3.45Å; K228-I232 WeakPolarHBondContact O-CG1 3.44Å; K228-I232 PolarHBondContact O-N 3.31Å; K228-W250 HydrophobicContact CD-CH2 3.89Å; K228-W250 HydrophobicContact CD-CZ2 3.85Å; K228-W250 HydrophobicContact CG-CZ2 4.09Å
229	H	63.5	Low	55	Low	36 Å²	36	75.7 Å²	75.7	17%	0.167	41%	0.408	C	S	.	.	H	α-helix	trans	-66.9	-43.9	175.6	-177.6	71.6	0	0	0	111.9	C216 F220 I225 I226 I232 N233	C216-H229 PolarHBondContact SG-NE2 2.77Å; F220-H229 HydrophobicContact CE1-CB 4.2Å; F220-H229 HydrophobicContact CE2-CB 4.43Å; F220-H229 AromaticContact CE2-CD2 3.71Å; F220-H229 HydrophobicContact CZ-CB 3.89Å; F220-H229 AromaticContact CZ-CD2 3.45Å; F220-H229 VanDerWaalsContact CZ-CD2 3.45Å; F220-H229 WeakPolarHBondContact CZ-CD2 3.29Å; F220-H229 AromaticContact CZ-CE1 3.93Å; F220-H229 AromaticContact CZ-CG 3.4Å; F220-H229 AromaticContact CZ-ND1 3.72Å; F220-H229 AromaticContact CZ-NE2 3.79Å; I225-H229 VanDerWaalsContact O-CB 3.23Å; I225-H229 WeakPolarHBondContact O-CB 3.43Å; I225-H229 PolarHBondContact O-N 3.4Å; I226-H229 PolarHBondContact O-N 2.98Å; H229-I232 PolarHBondContact O-N 3.47Å; H229-N233 PolarHBondContact CE1-ND2 3.2Å; H229-N233 PolarHBondContact NE2-ND2 3.21Å; H229-N233 VanDerWaalsContact NE2-ND2 3.17Å; H229-N233 WeakPolarHBondContact O-CB 3.44Å; H229-N233 PolarHBondContact O-N 3.21Å
230	K	53.7	Low	55.3	Low	96 Å²	96	77.1 Å²	77.1	42%	0.417	41%	0.412	S	S	.	.	H	α-helix	trans	-59.7	-53.1	172.9	-75.5	-176.4	176.2	-173.2	0	110.1	I226 I232 N233 T234	I226-K230 HydrophobicContact CG2-CD 3.89Å; I226-K230 HydrophobicContact CG2-CG 4.19Å; I226-K230 VanDerWaalsContact O-CB 3.28Å; I226-K230 WeakPolarHBondContact O-CB 3.43Å; I226-K230 WeakPolarHBondContact O-CG 3.46Å; I226-K230 PolarHBondContact O-N 3.38Å; K230-I232 VanDerWaalsContact C-N 3.3Å; K230-I232 PolarHBondContact O-N 3.14Å; K230-N233 CarbonylContact O-C 3.59Å; K230-N233 PolarHBondContact O-N 3.47Å; K230-T234 WeakPolarHBondContact O-CB 3.37Å; K230-T234 PolarHBondContact O-N 2.99Å; K230-T234 PolarHBondContact O-OG1 3.3Å
231	R	60	Low	55.4	Low	98 Å²	98	75.6 Å²	75.6	37%	0.37	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-33.5	179.2	-75.3	176.8	-166.5	172.9	5.8	114.4	T227 G235	T227-R231 WeakPolarHBondContact O-CB 3.34Å; T227-R231 VanDerWaalsContact O-CG 3.25Å; T227-R231 WeakPolarHBondContact O-CG 3.44Å; T227-R231 PolarHBondContact O-N 3.43Å; R231-G235 PolarHBondContact O-N 2.67Å
232	I	56.1	Low	56	Low	115 Å²	115	79.9 Å²	79.9	59%	0.59	42%	0.423	S	S	*	.	H	α-helix	trans	-75.6	-36.2	176.4	-68.4	167.7	0	0	0	111.1	K228 H229 K230	K228-I232 HydrophobicContact CG-CD1 4.04Å; K228-I232 WeakPolarHBondContact O-CB 3.01Å; K228-I232 WeakPolarHBondContact O-CD1 3.45Å; K228-I232 WeakPolarHBondContact O-CG1 3.44Å; K228-I232 PolarHBondContact O-N 3.31Å; H229-I232 PolarHBondContact O-N 3.47Å; K230-I232 VanDerWaalsContact C-N 3.3Å; K230-I232 PolarHBondContact O-N 3.14Å
233	N	50.4	Low	56.6	Low	107 Å²	107	82.6 Å²	82.6	57%	0.572	43%	0.431	S	S	*	.	H	α-helix	trans	-88.5	-26	-177.3	-82.8	-4.5	0	0	0	114.7	H229 K230	H229-N233 PolarHBondContact CE1-ND2 3.2Å; H229-N233 PolarHBondContact NE2-ND2 3.21Å; H229-N233 VanDerWaalsContact NE2-ND2 3.17Å; H229-N233 WeakPolarHBondContact O-CB 3.44Å; H229-N233 PolarHBondContact O-N 3.21Å; K230-N233 CarbonylContact O-C 3.59Å; K230-N233 PolarHBondContact O-N 3.47Å
234	T	51.5	Low	57.5	Low	62 Å²	62	81.2 Å²	81.2	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-91.1	-17	176.6	59	0	0	0	0	113	K230 E236	K230-T234 WeakPolarHBondContact O-CB 3.37Å; K230-T234 PolarHBondContact O-N 2.99Å; K230-T234 PolarHBondContact O-OG1 3.3Å; T234-E236 VanDerWaalsContact C-N 3.31Å; T234-E236 PolarHBondContact O-N 3.46Å
235	G	56.3	Low	57.8	Low	50 Å²	50	80.2 Å²	80.2	52%	0.515	42%	0.424	S	S	.	.			trans	77.1	10.8	178.8	0	0	0	0	0	115	R231 K237	R231-G235 PolarHBondContact O-N 2.67Å; G235-K237 PolarHBondContact O-N 3.2Å
236	E	53.6	Low	58.2	Low	124 Å²	124	82.1 Å²	82.1	58%	0.579	43%	0.429	S	S	*	.			trans	-63.3	125.8	178.6	-75.5	174.7	177.6	0	0	112	T234 P238	T234-E236 VanDerWaalsContact C-N 3.31Å; T234-E236 PolarHBondContact O-N 3.46Å; E236-P238 VanDerWaalsContact C-CD 3.5Å; E236-P238 WeakPolarHBondContact O-CD 3.2Å
237	K	57.5	Low	58.7	Low	120 Å²	120	84.9 Å²	84.9	52%	0.522	45%	0.446	S	S	.	.			trans	-119.9	77.6	177.5	-62.5	176	-171.1	167.2	0	110	G235 Y239 V247	G235-K237 PolarHBondContact O-N 3.2Å; K237-Y239 VanDerWaalsContact C-N 3.27Å; K237-Y239 PolarHBondContact O-N 3.15Å; K237-V247 HydrophobicContact CB-CB 3.95Å; K237-V247 HydrophobicContact CB-CG2 4.32Å; K237-V247 HydrophobicContact CD-CB 4.14Å; K237-V247 HydrophobicContact CD-CG2 3.62Å
238	P	57.6	Low	59.6	Low	73 Å²	73	83.8 Å²	83.8	47%	0.474	44%	0.437	S	S	.	.			trans	-77.3	-5.4	-168.8	28.2	-33.7	0	0	0	114.8	E236	E236-P238 VanDerWaalsContact C-CD 3.5Å; E236-P238 WeakPolarHBondContact O-CD 3.2Å
239	Y	63.3	Low	59.3	Low	76 Å²	76	81.9 Å²	81.9	30%	0.298	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	100	-175.8	-55.6	-71.9	0	0	0	111.1	K237 F248	K237-Y239 VanDerWaalsContact C-N 3.27Å; K237-Y239 PolarHBondContact O-N 3.15Å; Y239-F248 PolarHBondContact N-O 3.11Å; Y239-F248 PolarHBondContact O-N 3.36Å
240	T	55.9	Low	59.5	Low	71 Å²	71	85.4 Å²	85.4	44%	0.436	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.5	180	-38.9	0	0	0	0	110.3	E242 V247	T240-E242 PolarHBondContact O-N 3.12Å; T240-V247 HydrophobicContact CG2-CG1 3.66Å
241	C	67.1	Low	59.8	Low	2 Å²	2	83.8 Å²	83.8	1%	0.014	44%	0.444	C	S	.	.			trans	-80.2	109.1	169.9	-173.3	0	0	0	0	109.2	E243 C244 G245 K246 F248 L254	C241-E243 PolarHBondContact O-N 3.15Å; C241-C244 PolarHBondContact O-N 2.85Å; C241-C244 VanDerWaalsContact SG-SG 3.65Å; C241-G245 WeakPolarHBondContact O-CA 3.4Å; C241-G245 PolarHBondContact O-N 3.17Å; C241-K246 WeakPolarHBondContact CB-O 3.28Å; C241-K246 PolarHBondContact N-O 3.08Å; C241-F248 HydrophobicContact CB-CE2 4Å; C241-L254 HydrophobicContact CB-CD1 3.44Å; C241-L254 VanDerWaalsContact CB-CD1 3.44Å
242	E	58.8	Low	59.8	Low	177 Å²	177	82.1 Å²	82.1	83%	0.827	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.3	-179	-67.5	172	176.5	0	0	113.2	T240	T240-E242 PolarHBondContact O-N 3.12Å
243	E	58.5	Low	60.2	Low	109 Å²	109	83.9 Å²	83.9	51%	0.509	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.4	-178.5	-67.5	178.8	-151.4	0	0	115	C241 Y261	C241-E243 PolarHBondContact O-N 3.15Å; E243-Y261 HydrophobicContact CB-CE1 4.4Å; E243-Y261 WeakPolarHBondContact OE2-CD1 2.79Å; E243-Y261 WeakPolarHBondContact OE2-CE1 3.33Å
244	C	65.3	Low	61.1	Low	49 Å²	49	80 Å²	80	33%	0.331	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	7.1	-177.3	72.6	0	0	0	0	114.9	C241 K246 H257	C241-C244 PolarHBondContact O-N 2.85Å; C241-C244 VanDerWaalsContact SG-SG 3.65Å; C244-K246 PolarHBondContact O-N 3.16Å; C244-H257 PolarHBondContact SG-NE2 2.85Å
245	G	60.3	Low	61.4	Low	55 Å²	55	80.7 Å²	80.7	57%	0.567	43%	0.43	S	S	*	.			trans	66.5	3.3	179.4	0	0	0	0	0	115.4	C241 V247	C241-G245 WeakPolarHBondContact O-CA 3.4Å; C241-G245 PolarHBondContact O-N 3.17Å; G245-V247 PolarHBondContact O-N 3.14Å
246	K	63.5	Low	61.6	Low	127 Å²	127	82.2 Å²	82.2	55%	0.552	43%	0.43	S	S	*	.			trans	-76.1	125.5	-176.2	-74.2	-178.7	-179.2	170.4	0	111.5	C241 C244 F248	C241-K246 WeakPolarHBondContact CB-O 3.28Å; C241-K246 PolarHBondContact N-O 3.08Å; C244-K246 PolarHBondContact O-N 3.16Å; K246-F248 HydrophobicContact CB-CE2 3.81Å; K246-F248 HydrophobicContact CB-CZ 4.03Å; K246-F248 VanDerWaalsContact O-CD2 3.24Å; K246-F248 WeakPolarHBondContact O-CD2 3.49Å; K246-F248 WeakPolarHBondContact O-CE2 3.44Å
247	V	66.6	Low	62.5	Low	71 Å²	71	78.2 Å²	78.2	43%	0.43	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.9	178.3	-72.4	0	0	0	0	112.1	K237 T240 G245	K237-V247 HydrophobicContact CB-CB 3.95Å; K237-V247 HydrophobicContact CB-CG2 4.32Å; K237-V247 HydrophobicContact CD-CB 4.14Å; K237-V247 HydrophobicContact CD-CG2 3.62Å; T240-V247 HydrophobicContact CG2-CG1 3.66Å; G245-V247 PolarHBondContact O-N 3.14Å
248	F	73.1	Confident	62.6	Low	36 Å²	36	76.4 Å²	76.4	16%	0.158	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.9	-179.3	-61.2	-87.9	0	0	0	110.3	Y239 C241 K246 R253 L254 H257	Y239-F248 PolarHBondContact N-O 3.11Å; Y239-F248 PolarHBondContact O-N 3.36Å; C241-F248 HydrophobicContact CB-CE2 4Å; K246-F248 HydrophobicContact CB-CE2 3.81Å; K246-F248 HydrophobicContact CB-CZ 4.03Å; K246-F248 VanDerWaalsContact O-CD2 3.24Å; K246-F248 WeakPolarHBondContact O-CD2 3.49Å; K246-F248 WeakPolarHBondContact O-CE2 3.44Å; F248-R253 HydrophobicContact CD1-CB 4.04Å; F248-L254 HydrophobicContact CB-CB 4.39Å; F248-L254 HydrophobicContact CD2-CB 3.99Å; F248-L254 HydrophobicContact CD2-CD1 3.81Å; F248-L254 HydrophobicContact CD2-CG 4.48Å; F248-L254 HydrophobicContact CE2-CD1 3.88Å; F248-L254 HydrophobicContact CG-CB 4.26Å; F248-H257 HydrophobicContact CE1-CB 4.2Å; F248-H257 HydrophobicContact CE2-CB 4.32Å; F248-H257 AromaticContact CE2-CD2 3.7Å; F248-H257 HydrophobicContact CZ-CB 3.72Å; F248-H257 AromaticContact CZ-CD2 3.57Å; F248-H257 AromaticContact CZ-CG 3.48Å; F248-H257 VanDerWaalsContact CZ-CG 3.48Å
249	N	52.5	Low	62.7	Low	65 Å²	65	80.2 Å²	80.2	35%	0.348	41%	0.412	S	S	.	.	S	Bend	trans	-84.6	-13	177.1	44.1	3.4	0	0	0	112.9
250	W	67.7	Low	62.3	Low	110 Å²	110	81.3 Å²	81.3	42%	0.417	42%	0.423	S	S	.	.			trans	-140.4	132.8	-176.8	-67.7	63.5	0	0	0	110.1	K228 S252 R253 L254	K228-W250 HydrophobicContact CD-CH2 3.89Å; K228-W250 HydrophobicContact CD-CZ2 3.85Å; K228-W250 HydrophobicContact CG-CZ2 4.09Å; W250-S252 VanDerWaalsContact C-N 3.29Å; W250-S252 PolarHBondContact O-N 3.1Å; W250-R253 HydrophobicContact CB-CG 4.41Å; W250-R253 PolarHBondContact O-N 3.41Å; W250-L254 PolarHBondContact O-N 2.93Å
251	S	59.2	Low	62.3	Low	63 Å²	63	81.8 Å²	81.8	44%	0.441	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-38	177.6	58.2	0	0	0	0	112.3	R253 L254 T255	S251-R253 VanDerWaalsContact C-N 3.28Å; S251-R253 PolarHBondContact O-N 3.38Å; S251-L254 WeakPolarHBondContact O-CA 3.4Å; S251-L254 WeakPolarHBondContact O-CB 3.3Å; S251-L254 PolarHBondContact O-N 3.3Å; S251-T255 PolarHBondContact O-N 3.38Å; S251-T255 PolarHBondContact O-OG1 3.07Å
252	S	61.3	Low	61.5	Low	63 Å²	63	86.8 Å²	86.8	44%	0.441	45%	0.448	S	S	.	.	H	α-helix	trans	-59.3	-35.5	177.8	56.7	0	0	0	0	113.6	W250 T255 T256	W250-S252 VanDerWaalsContact C-N 3.29Å; W250-S252 PolarHBondContact O-N 3.1Å; S252-T255 WeakPolarHBondContact CA-OG1 3.41Å; S252-T255 PolarHBondContact O-N 3.46Å; S252-T255 PolarHBondContact O-OG1 2.89Å; S252-T256 PolarHBondContact O-N 3.15Å; S252-T256 PolarHBondContact O-OG1 2.95Å
253	R	64.5	Low	60.9	Low	152 Å²	152	87.7 Å²	87.7	57%	0.574	44%	0.444	S	S	*	.	H	α-helix	trans	-72	-36.3	174.9	-74.8	-170	172.1	-176.3	-2.2	112.2	F248 W250 S251 T255 T256 H257	F248-R253 HydrophobicContact CD1-CB 4.04Å; W250-R253 HydrophobicContact CB-CG 4.41Å; W250-R253 PolarHBondContact O-N 3.41Å; S251-R253 VanDerWaalsContact C-N 3.28Å; S251-R253 PolarHBondContact O-N 3.38Å; R253-T255 VanDerWaalsContact C-N 3.33Å; R253-T256 PolarHBondContact O-N 3.25Å; R253-H257 VanDerWaalsContact O-CB 3.3Å; R253-H257 WeakPolarHBondContact O-CB 3.27Å; R253-H257 PolarHBondContact O-N 3.39Å
254	L	68.9	Low	60.3	Low	24 Å²	24	88.7 Å²	88.7	13%	0.126	44%	0.444	C	S	.	.	H	α-helix	trans	-62.7	-42	171	173.5	62.4	0	0	0	110.6	C241 F248 W250 S251 T256 H257 K258	C241-L254 HydrophobicContact CB-CD1 3.44Å; C241-L254 VanDerWaalsContact CB-CD1 3.44Å; F248-L254 HydrophobicContact CB-CB 4.39Å; F248-L254 HydrophobicContact CD2-CB 3.99Å; F248-L254 HydrophobicContact CD2-CD1 3.81Å; F248-L254 HydrophobicContact CD2-CG 4.48Å; F248-L254 HydrophobicContact CE2-CD1 3.88Å; F248-L254 HydrophobicContact CG-CB 4.26Å; W250-L254 PolarHBondContact O-N 2.93Å; S251-L254 WeakPolarHBondContact O-CA 3.4Å; S251-L254 WeakPolarHBondContact O-CB 3.3Å; S251-L254 PolarHBondContact O-N 3.3Å; L254-T256 PolarHBondContact O-N 3.13Å; L254-H257 WeakPolarHBondContact O-CB 3.31Å; L254-H257 PolarHBondContact O-N 3.39Å; L254-K258 HydrophobicContact CD1-CG 4.27Å; L254-K258 PolarHBondContact O-N 3.41Å
255	T	57.8	Low	59.6	Low	77 Å²	77	95.9 Å²	95.9	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-64.7	-39.8	177.6	-16.7	0	0	0	0	112.3	S251 S252 R253 H257 K259	S251-T255 PolarHBondContact O-N 3.38Å; S251-T255 PolarHBondContact O-OG1 3.07Å; S252-T255 WeakPolarHBondContact CA-OG1 3.41Å; S252-T255 PolarHBondContact O-N 3.46Å; S252-T255 PolarHBondContact O-OG1 2.89Å; R253-T255 VanDerWaalsContact C-N 3.33Å; T255-H257 VanDerWaalsContact C-N 3.33Å; T255-K259 WeakPolarHBondContact O-CG 3.29Å; T255-K259 PolarHBondContact O-N 2.86Å; T255-K259 VanDerWaalsContact O-N 3.07Å
256	T	61.2	Low	59.5	Low	83 Å²	83	95.6 Å²	95.6	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-68.2	-36	175.5	-39.8	0	0	0	0	111.1	S252 R253 L254 N260	S252-T256 PolarHBondContact O-N 3.15Å; S252-T256 PolarHBondContact O-OG1 2.95Å; R253-T256 PolarHBondContact O-N 3.25Å; L254-T256 PolarHBondContact O-N 3.13Å; T256-N260 WeakPolarHBondContact O-CB 3.37Å; T256-N260 PolarHBondContact O-N 3.37Å; T256-N260 VanDerWaalsContact O-N 3.17Å; T256-N260 PolarHBondContact O-ND2 3.45Å; T256-N260 VanDerWaalsContact O-ND2 3.09Å
257	H	71.2	Confident	59.5	Low	40 Å²	40	95.1 Å²	95.1	19%	0.185	45%	0.45	C	S	.	.	H	α-helix	trans	-66	-46.6	175.6	173.6	65.5	0	0	0	112.2	C244 F248 R253 L254 T255 K259 N260 Y261	C244-H257 PolarHBondContact SG-NE2 2.85Å; F248-H257 HydrophobicContact CE1-CB 4.2Å; F248-H257 HydrophobicContact CE2-CB 4.32Å; F248-H257 AromaticContact CE2-CD2 3.7Å; F248-H257 HydrophobicContact CZ-CB 3.72Å; F248-H257 AromaticContact CZ-CD2 3.57Å; F248-H257 AromaticContact CZ-CG 3.48Å; F248-H257 VanDerWaalsContact CZ-CG 3.48Å; R253-H257 VanDerWaalsContact O-CB 3.3Å; R253-H257 WeakPolarHBondContact O-CB 3.27Å; R253-H257 PolarHBondContact O-N 3.39Å; L254-H257 WeakPolarHBondContact O-CB 3.31Å; L254-H257 PolarHBondContact O-N 3.39Å; T255-H257 VanDerWaalsContact C-N 3.33Å; H257-K259 PolarHBondContact O-N 3.32Å; H257-N260 PolarHBondContact O-N 2.93Å; H257-Y261 WeakPolarHBondContact O-CB 3.28Å; H257-Y261 PolarHBondContact O-N 3.34Å
258	K	60	Low	59.1	Low	81 Å²	81	97.9 Å²	97.9	35%	0.352	46%	0.457	S	S	.	.	H	α-helix	trans	-59.5	-45.4	175	-73.9	-167.7	174.8	-165.8	0	111.9	L254 N260 Y261 T262	L254-K258 HydrophobicContact CD1-CG 4.27Å; L254-K258 PolarHBondContact O-N 3.41Å; K258-N260 VanDerWaalsContact C-N 3.28Å; K258-N260 PolarHBondContact O-N 2.86Å; K258-Y261 PolarHBondContact O-N 2.56Å; K258-T262 PolarHBondContact O-N 2.84Å; K258-T262 PolarHBondContact O-OG1 3.35Å
259	K	60.7	Low	58.6	Low	153 Å²	153	96.3 Å²	96.3	67%	0.665	45%	0.45	S	S	*	.	H	α-helix	trans	-61.7	-31.5	177	-78.8	-174.1	176.4	-175.4	0	114.2	T255 H257	T255-K259 WeakPolarHBondContact O-CG 3.29Å; T255-K259 PolarHBondContact O-N 2.86Å; T255-K259 VanDerWaalsContact O-N 3.07Å; H257-K259 PolarHBondContact O-N 3.32Å
260	N	53.3	Low	58.9	Low	100 Å²	100	101.8 Å²	101.8	54%	0.535	47%	0.474	S	S	.	.	H	α-helix	trans	-83.4	-24.9	177.9	-73.9	-32.3	0	0	0	112.8	T256 H257 K258	T256-N260 WeakPolarHBondContact O-CB 3.37Å; T256-N260 PolarHBondContact O-N 3.37Å; T256-N260 VanDerWaalsContact O-N 3.17Å; T256-N260 PolarHBondContact O-ND2 3.45Å; T256-N260 VanDerWaalsContact O-ND2 3.09Å; H257-N260 PolarHBondContact O-N 2.93Å; K258-N260 VanDerWaalsContact C-N 3.28Å; K258-N260 PolarHBondContact O-N 2.86Å
261	Y	56.7	Low	58.3	Low	80 Å²	80	103.8 Å²	103.8	31%	0.314	49%	0.488	S	S	.	.	H	α-helix	trans	-74.1	-37.1	178.9	-168.2	-104.4	0	0	0	112.1	E243 H257 K258 L266	E243-Y261 HydrophobicContact CB-CE1 4.4Å; E243-Y261 WeakPolarHBondContact OE2-CD1 2.79Å; E243-Y261 WeakPolarHBondContact OE2-CE1 3.33Å; H257-Y261 WeakPolarHBondContact O-CB 3.28Å; H257-Y261 PolarHBondContact O-N 3.34Å; K258-Y261 PolarHBondContact O-N 2.56Å; Y261-L266 HydrophobicContact CD2-CD1 3.59Å; Y261-L266 HydrophobicContact CE2-CD1 3.71Å; Y261-L266 HydrophobicContact CG-CD1 4.41Å
262	T	51.4	Low	58.3	Low	108 Å²	108	102.3 Å²	102.3	66%	0.663	48%	0.477	S	S	*	.	H	α-helix	trans	-82.7	-18.8	-176.8	48.1	0	0	0	0	115.2	K258	K258-T262 PolarHBondContact O-N 2.84Å; K258-T262 PolarHBondContact O-OG1 3.35Å
263	R	45.5	Very low	58.2	Low	195 Å²	195	102.2 Å²	102.2	74%	0.736	49%	0.486	S	S	*	.	S	Bend	trans	-95.9	-10.2	-170.2	-164.1	167.6	-179.2	165.2	2.4	115.8
264	Y	45.7	Very low	58	Low	131 Å²	131	100.6 Å²	100.6	51%	0.514	48%	0.483	S	S	.	.	S	Bend	trans	-140.1	122.9	-178.9	-65.8	-81.6	0	0	0	110.4	L266	Y264-L266 PolarHBondContact O-N 2.87Å
265	K	51.5	Low	57.5	Low	199 Å²	199	101.6 Å²	101.6	87%	0.865	50%	0.495	S	S	*	.			trans	-57.3	111.3	169.5	-160.5	171.8	-174.2	176.1	0	107.7	Y267	K265-Y267 PolarHBondContact O-N 3.09Å
266	L	57.9	Low	58	Low	50 Å²	50	99.5 Å²	99.5	26%	0.262	48%	0.479	S	S	.	.			trans	-78.9	120.4	-172.1	-82.2	142.9	0	0	0	110.4	Y261 Y264 K268 A275	Y261-L266 HydrophobicContact CD2-CD1 3.59Å; Y261-L266 HydrophobicContact CE2-CD1 3.71Å; Y261-L266 HydrophobicContact CG-CD1 4.41Å; Y264-L266 PolarHBondContact O-N 2.87Å; L266-K268 PolarHBondContact O-N 3.29Å; L266-A275 HydrophobicContact CB-CB 4Å; L266-A275 HydrophobicContact CD2-CB 3.53Å; L266-A275 HydrophobicContact CG-CB 4.21Å
267	Y	63.5	Low	57.7	Low	116 Å²	116	99.9 Å²	99.9	46%	0.455	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.7	170.9	-59.5	-86	0	0	0	108.5	K265 F276 S279	K265-Y267 PolarHBondContact O-N 3.09Å; Y267-F276 PolarHBondContact N-O 3.38Å; Y267-F276 PolarHBondContact O-N 3.07Å; Y267-S279 VanDerWaalsContact CD2-N 3.35Å
268	K	57.4	Low	57.3	Low	129 Å²	129	104 Å²	104	56%	0.561	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	137.7	-178.5	-67.9	-179.7	-178.1	176.9	0	110.8	L266 K274 A275	L266-K268 PolarHBondContact O-N 3.29Å; K268-K274 WeakPolarHBondContact CA-O 3.31Å; K268-A275 HydrophobicContact CG-CB 4.06Å
269	C	61.8	Low	57.2	Low	3 Å²	3	103 Å²	103	2%	0.02	50%	0.498	C	S	.	.			trans	-81.9	115.2	168.1	-174	0	0	0	0	108.9	E271 C272 G273 K274 F276 L282	C269-E271 VanDerWaalsContact C-N 3.26Å; C269-E271 PolarHBondContact O-N 3.49Å; C269-C272 WeakPolarHBondContact CB-SG 3.22Å; C269-C272 PolarHBondContact O-N 2.98Å; C269-C272 VanDerWaalsContact SG-SG 3.67Å; C269-G273 WeakPolarHBondContact O-CA 3.3Å; C269-G273 PolarHBondContact O-N 3.37Å; C269-K274 PolarHBondContact N-O 3.04Å; C269-F276 HydrophobicContact CB-CE2 4.2Å; C269-L282 HydrophobicContact CB-CD1 3.49Å; C269-L282 VanDerWaalsContact CB-CD1 3.49Å
270	E	59.3	Low	57.2	Low	180 Å²	180	99 Å²	99	84%	0.841	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.2	-177.1	-70.3	169.3	173	0	0	112.8
271	E	55.8	Low	57.5	Low	153 Å²	153	97.9 Å²	97.9	72%	0.715	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.2	-178.9	-64.4	-176.3	173.1	0	0	115.3	C269	C269-E271 VanDerWaalsContact C-N 3.26Å; C269-E271 PolarHBondContact O-N 3.49Å
272	C	58.6	Low	57.9	Low	32 Å²	32	94.9 Å²	94.9	22%	0.216	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-2.5	-172.2	87.7	0	0	0	0	114.5	C269 K274 H285	C269-C272 WeakPolarHBondContact CB-SG 3.22Å; C269-C272 PolarHBondContact O-N 2.98Å; C269-C272 VanDerWaalsContact SG-SG 3.67Å; C272-K274 PolarHBondContact O-N 2.96Å; C272-K274 WeakPolarHBondContact SG-CB 3.39Å; C272-K274 VanDerWaalsContact SG-CG 3.56Å; C272-K274 PolarHBondContact SG-N 3.32Å; C272-H285 PolarHBondContact SG-NE2 3.36Å
273	G	58.6	Low	58.3	Low	60 Å²	60	93.2 Å²	93.2	62%	0.619	46%	0.463	S	S	*	.			trans	64	3	-178.6	0	0	0	0	0	114.6	C269	C269-G273 WeakPolarHBondContact O-CA 3.3Å; C269-G273 PolarHBondContact O-N 3.37Å
274	K	60.9	Low	58.9	Low	118 Å²	118	85.6 Å²	85.6	51%	0.513	44%	0.438	S	S	.	.			trans	-77.7	134.7	-177.9	-67.1	-179.7	-178.9	177.5	0	110.8	K268 C269 C272 F276	K268-K274 WeakPolarHBondContact CA-O 3.31Å; C269-K274 PolarHBondContact N-O 3.04Å; C272-K274 PolarHBondContact O-N 2.96Å; C272-K274 WeakPolarHBondContact SG-CB 3.39Å; C272-K274 VanDerWaalsContact SG-CG 3.56Å; C272-K274 PolarHBondContact SG-N 3.32Å; K274-F276 HydrophobicContact CB-CE2 3.76Å; K274-F276 HydrophobicContact CB-CZ 3.82Å; K274-F276 WeakPolarHBondContact O-CD2 3.45Å; K274-F276 VanDerWaalsContact O-CE2 3.32Å; K274-F276 WeakPolarHBondContact O-CE2 3.19Å
275	A	57.9	Low	59.8	Low	46 Å²	46	80.9 Å²	80.9	38%	0.38	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.9	-172.8	0	0	0	0	0	109.7	L266 K268	L266-A275 HydrophobicContact CB-CB 4Å; L266-A275 HydrophobicContact CD2-CB 3.53Å; L266-A275 HydrophobicContact CG-CB 4.21Å; K268-A275 HydrophobicContact CG-CB 4.06Å
276	F	69.3	Low	60.2	Low	32 Å²	32	75.8 Å²	75.8	14%	0.14	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.3	-175.5	-59.7	-86.6	0	0	0	110.8	Y267 C269 K274 K278 I281 L282 H285	Y267-F276 PolarHBondContact N-O 3.38Å; Y267-F276 PolarHBondContact O-N 3.07Å; C269-F276 HydrophobicContact CB-CE2 4.2Å; K274-F276 HydrophobicContact CB-CE2 3.76Å; K274-F276 HydrophobicContact CB-CZ 3.82Å; K274-F276 WeakPolarHBondContact O-CD2 3.45Å; K274-F276 VanDerWaalsContact O-CE2 3.32Å; K274-F276 WeakPolarHBondContact O-CE2 3.19Å; F276-K278 VanDerWaalsContact C-N 3.34Å; F276-I281 HydrophobicContact CD1-CG2 3.68Å; F276-I281 HydrophobicContact CE1-CG2 4.33Å; F276-I281 HydrophobicContact CG-CG2 4.45Å; F276-L282 HydrophobicContact CB-CB 4.13Å; F276-L282 HydrophobicContact CD2-CB 3.85Å; F276-L282 HydrophobicContact CD2-CD1 3.54Å; F276-L282 HydrophobicContact CD2-CG 4.27Å; F276-L282 HydrophobicContact CE2-CD1 3.72Å; F276-L282 HydrophobicContact CG-CB 4.14Å; F276-H285 HydrophobicContact CE1-CB 3.91Å; F276-H285 AromaticContact CE1-CG 3.9Å; F276-H285 HydrophobicContact CE2-CB 4.05Å; F276-H285 AromaticContact CE2-CD2 3.49Å; F276-H285 VanDerWaalsContact CE2-CD2 3.49Å; F276-H285 WeakPolarHBondContact CE2-CD2 3.45Å; F276-H285 AromaticContact CE2-CG 3.76Å; F276-H285 HydrophobicContact CZ-CB 3.56Å; F276-H285 AromaticContact CZ-CD2 3.29Å; F276-H285 WeakPolarHBondContact CZ-CD2 3.44Å; F276-H285 AromaticContact CZ-CE1 3.92Å; F276-H285 AromaticContact CZ-CG 3.16Å; F276-H285 AromaticContact CZ-ND1 3.59Å; F276-H285 AromaticContact CZ-NE2 3.76Å
277	N	53.9	Low	60.3	Low	91 Å²	91	75 Å²	75	49%	0.487	39%	0.394	S	S	.	.	S	Bend	trans	-84.1	-6.1	-177.6	63.3	-3.2	0	0	0	114
278	K	62.8	Low	59.9	Low	126 Å²	126	74.8 Å²	74.8	55%	0.548	40%	0.399	S	S	.	.	S	Bend	trans	-145.1	140.3	175.5	-64.9	-174.1	178.7	-175.3	0	110	F276 S280 I281 L282	F276-K278 VanDerWaalsContact C-N 3.34Å; K278-S280 VanDerWaalsContact C-N 3.31Å; K278-S280 PolarHBondContact O-N 2.83Å; K278-I281 HydrophobicContact CB-CD1 4.06Å; K278-I281 HydrophobicContact CB-CG1 4.12Å; K278-I281 HydrophobicContact CD-CD1 4.33Å; K278-I281 HydrophobicContact CG-CD1 4.41Å; K278-I281 PolarHBondContact O-N 3.12Å; K278-L282 PolarHBondContact O-N 3.37Å
279	S	58.8	Low	59.8	Low	60 Å²	60	75.3 Å²	75.3	42%	0.42	40%	0.398	S	S	.	.	H	α-helix	trans	-63.4	-37.3	179.8	80.6	0	0	0	0	111.8	Y267 I281 L282 T283	Y267-S279 VanDerWaalsContact CD2-N 3.35Å; S279-I281 PolarHBondContact O-N 3.07Å; S279-L282 CarbonylContact O-C 3.55Å; S279-L282 WeakPolarHBondContact O-CA 3.18Å; S279-L282 WeakPolarHBondContact O-CB 3.49Å; S279-L282 PolarHBondContact O-N 3.03Å; S279-T283 PolarHBondContact O-N 3.28Å; S279-T283 PolarHBondContact O-OG1 3.14Å
280	S	60.7	Low	59.5	Low	71 Å²	71	79 Å²	79	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-58.5	-31.6	176.7	58.5	0	0	0	0	113.7	K278 T284	K278-S280 VanDerWaalsContact C-N 3.31Å; K278-S280 PolarHBondContact O-N 2.83Å; S280-T284 WeakPolarHBondContact O-CB 2.88Å; S280-T284 PolarHBondContact O-N 3.24Å; S280-T284 PolarHBondContact O-OG1 3.46Å
281	I	58.9	Low	59.2	Low	75 Å²	75	73.1 Å²	73.1	39%	0.385	41%	0.408	S	S	.	.	H	α-helix	trans	-78.3	-37.8	176.4	-58.9	175.8	0	0	0	110.4	F276 K278 S279 T284 H285	F276-I281 HydrophobicContact CD1-CG2 3.68Å; F276-I281 HydrophobicContact CE1-CG2 4.33Å; F276-I281 HydrophobicContact CG-CG2 4.45Å; K278-I281 HydrophobicContact CB-CD1 4.06Å; K278-I281 HydrophobicContact CB-CG1 4.12Å; K278-I281 HydrophobicContact CD-CD1 4.33Å; K278-I281 HydrophobicContact CG-CD1 4.41Å; K278-I281 PolarHBondContact O-N 3.12Å; S279-I281 PolarHBondContact O-N 3.07Å; I281-T284 PolarHBondContact O-N 3.41Å; I281-H285 VanDerWaalsContact O-CB 3.29Å; I281-H285 WeakPolarHBondContact O-CB 2.82Å; I281-H285 PolarHBondContact O-N 3.02Å
282	L	65	Low	59.2	Low	17 Å²	17	71.2 Å²	71.2	9%	0.089	40%	0.399	C	S	.	.	H	α-helix	trans	-61.5	-44.5	170.2	172.2	62.9	0	0	0	110.9	C269 F276 K278 S279 T284 H285 K286	C269-L282 HydrophobicContact CB-CD1 3.49Å; C269-L282 VanDerWaalsContact CB-CD1 3.49Å; F276-L282 HydrophobicContact CB-CB 4.13Å; F276-L282 HydrophobicContact CD2-CB 3.85Å; F276-L282 HydrophobicContact CD2-CD1 3.54Å; F276-L282 HydrophobicContact CD2-CG 4.27Å; F276-L282 HydrophobicContact CE2-CD1 3.72Å; F276-L282 HydrophobicContact CG-CB 4.14Å; K278-L282 PolarHBondContact O-N 3.37Å; S279-L282 CarbonylContact O-C 3.55Å; S279-L282 WeakPolarHBondContact O-CA 3.18Å; S279-L282 WeakPolarHBondContact O-CB 3.49Å; S279-L282 PolarHBondContact O-N 3.03Å; L282-T284 PolarHBondContact O-N 3.18Å; L282-H285 CarbonylContact O-C 3.26Å; L282-H285 WeakPolarHBondContact O-CB 3.39Å; L282-H285 PolarHBondContact O-N 2.8Å; L282-H285 VanDerWaalsContact O-N 3.12Å; L282-K286 HydrophobicContact CD1-CD 4.45Å; L282-K286 HydrophobicContact CD1-CG 4.13Å; L282-K286 HydrophobicContact CG-CD 4.49Å; L282-K286 WeakPolarHBondContact O-CG 3.45Å; L282-K286 PolarHBondContact O-N 3.35Å
283	T	61	Low	59	Low	74 Å²	74	75.8 Å²	75.8	45%	0.454	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-45.7	176.7	-46.1	0	0	0	0	110.5	S279 H285 K286 I287	S279-T283 PolarHBondContact O-N 3.28Å; S279-T283 PolarHBondContact O-OG1 3.14Å; T283-H285 VanDerWaalsContact C-N 3.29Å; T283-H285 PolarHBondContact O-N 2.83Å; T283-K286 PolarHBondContact O-N 3.43Å; T283-I287 HydrophobicContact CG2-CD1 3.93Å; T283-I287 WeakPolarHBondContact O-CB 3.43Å; T283-I287 WeakPolarHBondContact O-CD1 3.49Å; T283-I287 WeakPolarHBondContact O-CG1 3.41Å; T283-I287 PolarHBondContact O-N 2.85Å
284	T	58.2	Low	58.9	Low	35 Å²	35	78.9 Å²	78.9	22%	0.215	41%	0.412	C	S	.	.	H	α-helix	trans	-62.1	-36.6	174.2	-51.6	0	0	0	0	111.8	S280 I281 L282 I288	S280-T284 WeakPolarHBondContact O-CB 2.88Å; S280-T284 PolarHBondContact O-N 3.24Å; S280-T284 PolarHBondContact O-OG1 3.46Å; I281-T284 PolarHBondContact O-N 3.41Å; L282-T284 PolarHBondContact O-N 3.18Å; T284-I288 HydrophobicContact CG2-CD1 3.91Å; T284-I288 HydrophobicContact CG2-CG1 4.48Å; T284-I288 WeakPolarHBondContact O-CB 3.35Å; T284-I288 WeakPolarHBondContact O-CD1 3.25Å; T284-I288 WeakPolarHBondContact O-CG1 3.18Å; T284-I288 PolarHBondContact O-N 2.65Å
285	H	64.3	Low	59	Low	31 Å²	31	78.1 Å²	78.1	14%	0.144	41%	0.407	C	S	.	.	H	α-helix	trans	-68.2	-43.4	176.8	177.5	71.6	0	0	0	112.9	C272 F276 I281 L282 T283 I288 R289	C272-H285 PolarHBondContact SG-NE2 3.36Å; F276-H285 HydrophobicContact CE1-CB 3.91Å; F276-H285 AromaticContact CE1-CG 3.9Å; F276-H285 HydrophobicContact CE2-CB 4.05Å; F276-H285 AromaticContact CE2-CD2 3.49Å; F276-H285 VanDerWaalsContact CE2-CD2 3.49Å; F276-H285 WeakPolarHBondContact CE2-CD2 3.45Å; F276-H285 AromaticContact CE2-CG 3.76Å; F276-H285 HydrophobicContact CZ-CB 3.56Å; F276-H285 AromaticContact CZ-CD2 3.29Å; F276-H285 WeakPolarHBondContact CZ-CD2 3.44Å; F276-H285 AromaticContact CZ-CE1 3.92Å; F276-H285 AromaticContact CZ-CG 3.16Å; F276-H285 AromaticContact CZ-ND1 3.59Å; F276-H285 AromaticContact CZ-NE2 3.76Å; I281-H285 VanDerWaalsContact O-CB 3.29Å; I281-H285 WeakPolarHBondContact O-CB 2.82Å; I281-H285 PolarHBondContact O-N 3.02Å; L282-H285 CarbonylContact O-C 3.26Å; L282-H285 WeakPolarHBondContact O-CB 3.39Å; L282-H285 PolarHBondContact O-N 2.8Å; L282-H285 VanDerWaalsContact O-N 3.12Å; T283-H285 VanDerWaalsContact C-N 3.29Å; T283-H285 PolarHBondContact O-N 2.83Å; H285-I288 PolarHBondContact O-N 3.23Å; H285-R289 PolarHBondContact O-N 3.32Å; H285-R289 VanDerWaalsContact O-N 3.13Å
286	K	59.3	Low	58.8	Low	92 Å²	92	82.9 Å²	82.9	40%	0.4	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-46.6	173.3	-71.9	-173.9	176.8	-167.7	0	110.2	L282 T283 I288 R289 T290	L282-K286 HydrophobicContact CD1-CD 4.45Å; L282-K286 HydrophobicContact CD1-CG 4.13Å; L282-K286 HydrophobicContact CG-CD 4.49Å; L282-K286 WeakPolarHBondContact O-CG 3.45Å; L282-K286 PolarHBondContact O-N 3.35Å; T283-K286 PolarHBondContact O-N 3.43Å; K286-I288 PolarHBondContact O-N 3.38Å; K286-R289 PolarHBondContact O-N 3.01Å; K286-R289 VanDerWaalsContact O-N 3.12Å; K286-T290 PolarHBondContact O-N 3.48Å; K286-T290 PolarHBondContact O-OG1 3.48Å
287	I	60.5	Low	58.6	Low	33 Å²	33	81.5 Å²	81.5	17%	0.169	41%	0.413	C	S	.	.	H	α-helix	trans	-61.8	-39.4	177.6	-68.1	167.7	0	0	0	112.6	T283 R289 T290 G291 E292 F294	T283-I287 HydrophobicContact CG2-CD1 3.93Å; T283-I287 WeakPolarHBondContact O-CB 3.43Å; T283-I287 WeakPolarHBondContact O-CD1 3.49Å; T283-I287 WeakPolarHBondContact O-CG1 3.41Å; T283-I287 PolarHBondContact O-N 2.85Å; I287-R289 VanDerWaalsContact C-N 3.31Å; I287-R289 PolarHBondContact O-N 2.98Å; I287-T290 PolarHBondContact O-OG1 3.4Å; I287-G291 PolarHBondContact O-N 2.87Å; I287-E292 WeakPolarHBondContact CG2-O 3.43Å; I287-F294 HydrophobicContact CG1-CD2 4.43Å; I287-F294 HydrophobicContact CG1-CE2 4.13Å; I287-F294 HydrophobicContact CG2-CD2 4.44Å; I287-F294 HydrophobicContact CG2-CE2 4.5Å
288	I	55.8	Low	58.8	Low	112 Å²	112	87.1 Å²	87.1	57%	0.574	43%	0.433	S	S	*	.	H	α-helix	trans	-68.8	-31.5	177	-71.4	165.6	0	0	0	111.5	T284 H285 K286	T284-I288 HydrophobicContact CG2-CD1 3.91Å; T284-I288 HydrophobicContact CG2-CG1 4.48Å; T284-I288 WeakPolarHBondContact O-CB 3.35Å; T284-I288 WeakPolarHBondContact O-CD1 3.25Å; T284-I288 WeakPolarHBondContact O-CG1 3.18Å; T284-I288 PolarHBondContact O-N 2.65Å; H285-I288 PolarHBondContact O-N 3.23Å; K286-I288 PolarHBondContact O-N 3.38Å
289	R	54.1	Low	58.6	Low	141 Å²	141	87.7 Å²	87.7	53%	0.532	44%	0.437	S	S	.	.	H	α-helix	trans	-79.9	-36.4	-179	-110.6	-167.8	167.7	-156.2	0.6	113.4	H285 K286 I287 G291	H285-R289 PolarHBondContact O-N 3.32Å; H285-R289 VanDerWaalsContact O-N 3.13Å; K286-R289 PolarHBondContact O-N 3.01Å; K286-R289 VanDerWaalsContact O-N 3.12Å; I287-R289 VanDerWaalsContact C-N 3.31Å; I287-R289 PolarHBondContact O-N 2.98Å; R289-G291 VanDerWaalsContact C-N 3.28Å
290	T	55.8	Low	58.9	Low	80 Å²	80	87.1 Å²	87.1	49%	0.491	43%	0.433	S	S	.	.	H	α-helix	trans	-77	-16.3	174.9	57.1	0	0	0	0	112.7	K286 I287 E292	K286-T290 PolarHBondContact O-N 3.48Å; K286-T290 PolarHBondContact O-OG1 3.48Å; I287-T290 PolarHBondContact O-OG1 3.4Å; T290-E292 PolarHBondContact O-N 3.15Å
291	G	53.7	Low	58.7	Low	56 Å²	56	87.7 Å²	87.7	58%	0.577	44%	0.442	S	S	*	.			trans	74.7	1.2	178.4	0	0	0	0	0	114.2	I287 R289	I287-G291 PolarHBondContact O-N 2.87Å; R289-G291 VanDerWaalsContact C-N 3.28Å
292	E	55.6	Low	58.6	Low	113 Å²	113	90 Å²	90	53%	0.528	45%	0.449	S	S	.	.			trans	-80.2	124.6	-176.9	-67.9	-174.1	143.1	0	0	111.6	I287 T290 F294	I287-E292 WeakPolarHBondContact CG2-O 3.43Å; T290-E292 PolarHBondContact O-N 3.15Å; E292-F294 HydrophobicContact CB-CE2 3.86Å; E292-F294 HydrophobicContact CB-CZ 3.86Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.5Å
293	K	55	Low	58.3	Low	128 Å²	128	90.6 Å²	90.6	56%	0.557	46%	0.457	S	S	*	.			trans	-106	103.1	178.7	-64	171.9	177.5	179.4	0	108.9	A303	K293-A303 HydrophobicContact CB-CB 3.34Å; K293-A303 HydrophobicContact CD-CB 3.88Å; K293-A303 WeakPolarHBondContact CD-O 3.36Å; K293-A303 HydrophobicContact CG-CB 4.27Å
294	F	55.7	Low	58.7	Low	126 Å²	126	89.1 Å²	89.1	55%	0.553	44%	0.444	S	S	*	.			trans	-78.4	-30.9	-171.6	-67.5	-80.7	0	0	0	114.7	I287 E292 K296	I287-F294 HydrophobicContact CG1-CD2 4.43Å; I287-F294 HydrophobicContact CG1-CE2 4.13Å; I287-F294 HydrophobicContact CG2-CD2 4.44Å; I287-F294 HydrophobicContact CG2-CE2 4.5Å; E292-F294 HydrophobicContact CB-CE2 3.86Å; E292-F294 HydrophobicContact CB-CZ 3.86Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.5Å; F294-K296 PolarHBondContact O-N 3.16Å
295	Y	61.8	Low	58.6	Low	102 Å²	102	90.3 Å²	90.3	40%	0.4	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	87.5	-174	-60.4	-77.7	0	0	0	110.9	A303 F304	Y295-A303 CarbonylContact O-C 3.6Å; Y295-A303 WeakPolarHBondContact O-CA 3.45Å; Y295-F304 WeakPolarHBondContact CB-O 3.44Å; Y295-F304 PolarHBondContact N-O 3.04Å; Y295-F304 VanDerWaalsContact N-O 3.12Å; Y295-F304 PolarHBondContact O-N 2.93Å
296	K	55.7	Low	58.3	Low	146 Å²	146	92.4 Å²	92.4	64%	0.635	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.8	179.2	-65	178.6	-177	174.8	0	111.2	F294 K298 A303	F294-K296 PolarHBondContact O-N 3.16Å; K296-K298 PolarHBondContact O-N 3.37Å; K296-A303 HydrophobicContact CG-CB 3.86Å
297	C	64	Low	58.2	Low	2 Å²	2	91 Å²	91	1%	0.014	46%	0.461	C	S	.	.			trans	-73.9	122	169.5	-173.2	0	0	0	0	109.8	E299 A301 K302 F304 L310 H317	C297-E299 PolarHBondContact O-N 3.21Å; C297-A301 WeakPolarHBondContact O-CA 3.21Å; C297-A301 PolarHBondContact O-N 2.93Å; C297-K302 WeakPolarHBondContact CB-O 3.42Å; C297-K302 PolarHBondContact N-O 2.99Å; C297-F304 HydrophobicContact CB-CE2 4.45Å; C297-L310 HydrophobicContact CB-CD1 3.65Å; C297-H317 PolarHBondContact SG-CD2 2.89Å; C297-H317 PolarHBondContact SG-NE2 2.79Å
298	K	59.1	Low	58.3	Low	210 Å²	210	92.6 Å²	92.6	91%	0.913	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.2	179.9	-65.5	-172	176.5	-174.5	0	113	K296	K296-K298 PolarHBondContact O-N 3.37Å
299	E	58.7	Low	58.6	Low	137 Å²	137	89.8 Å²	89.8	64%	0.64	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-21.4	-173.9	-68.1	166	167.1	0	0	114.4	C297 H317	C297-E299 PolarHBondContact O-N 3.21Å; E299-H317 WeakPolarHBondContact OE2-CB 3.4Å; E299-H317 IonicContact OE2-CD2 2.95Å; E299-H317 PolarHBondContact OE2-CD2 2.84Å; E299-H317 IonicContact OE2-CG 2.85Å; E299-H317 IonicContact OE2-ND1 3.1Å
300	C	64.4	Low	59	Low	48 Å²	48	83.9 Å²	83.9	32%	0.324	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	10.8	178.2	74.2	0	0	0	0	114.8	K302 H313 H317	C300-K302 PolarHBondContact O-N 3.42Å; C300-H313 PolarHBondContact SG-NE2 3.4Å; C300-H317 VanDerWaalsContact CB-CE1 3.48Å; C300-H317 WeakPolarHBondContact CB-CE1 3.47Å; C300-H317 PolarHBondContact SG-CE1 2.8Å; C300-H317 PolarHBondContact SG-NE2 3.15Å; C300-H317 VanDerWaalsContact SG-NE2 3.45Å
301	A	56.2	Low	59.3	Low	83 Å²	83	84 Å²	84	69%	0.686	44%	0.44	S	S	*	.			trans	56	9.6	-178.8	0	0	0	0	0	115.8	C297 A303	C297-A301 WeakPolarHBondContact O-CA 3.21Å; C297-A301 PolarHBondContact O-N 2.93Å; A301-A303 PolarHBondContact O-N 3.41Å
302	K	57.4	Low	59.6	Low	125 Å²	125	86.1 Å²	86.1	54%	0.543	44%	0.435	S	S	.	.			trans	-71	129.5	176.5	-74.5	179	-178.8	170.7	0	110.7	C297 C300 F304	C297-K302 WeakPolarHBondContact CB-O 3.42Å; C297-K302 PolarHBondContact N-O 2.99Å; C300-K302 PolarHBondContact O-N 3.42Å; K302-F304 HydrophobicContact CB-CE2 3.84Å; K302-F304 HydrophobicContact CB-CZ 4.02Å; K302-F304 WeakPolarHBondContact O-CD2 3.43Å; K302-F304 VanDerWaalsContact O-CE2 3.3Å; K302-F304 WeakPolarHBondContact O-CE2 3.48Å
303	A	58.8	Low	60	Low	29 Å²	29	81.7 Å²	81.7	24%	0.24	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.6	-176.8	0	0	0	0	0	111.6	K293 Y295 K296 A301	K293-A303 HydrophobicContact CB-CB 3.34Å; K293-A303 HydrophobicContact CD-CB 3.88Å; K293-A303 WeakPolarHBondContact CD-O 3.36Å; K293-A303 HydrophobicContact CG-CB 4.27Å; Y295-A303 CarbonylContact O-C 3.6Å; Y295-A303 WeakPolarHBondContact O-CA 3.45Å; K296-A303 HydrophobicContact CG-CB 3.86Å; A301-A303 PolarHBondContact O-N 3.41Å
304	F	69.2	Low	60.4	Low	42 Å²	42	80.6 Å²	80.6	18%	0.184	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.3	-177.8	-60.1	-89.7	0	0	0	110.4	Y295 C297 K302 N309 L310 H313	Y295-F304 WeakPolarHBondContact CB-O 3.44Å; Y295-F304 PolarHBondContact N-O 3.04Å; Y295-F304 VanDerWaalsContact N-O 3.12Å; Y295-F304 PolarHBondContact O-N 2.93Å; C297-F304 HydrophobicContact CB-CE2 4.45Å; K302-F304 HydrophobicContact CB-CE2 3.84Å; K302-F304 HydrophobicContact CB-CZ 4.02Å; K302-F304 WeakPolarHBondContact O-CD2 3.43Å; K302-F304 VanDerWaalsContact O-CE2 3.3Å; K302-F304 WeakPolarHBondContact O-CE2 3.48Å; F304-N309 HydrophobicContact CB-CB 4.25Å; F304-N309 HydrophobicContact CD1-CB 3.95Å; F304-N309 HydrophobicContact CG-CB 4.38Å; F304-L310 HydrophobicContact CB-CB 4.23Å; F304-L310 HydrophobicContact CD2-CB 3.97Å; F304-L310 HydrophobicContact CD2-CD1 3.71Å; F304-L310 HydrophobicContact CD2-CG 4.44Å; F304-L310 HydrophobicContact CE2-CD1 3.99Å; F304-L310 HydrophobicContact CG-CB 4.25Å; F304-H313 HydrophobicContact CE1-CB 3.86Å; F304-H313 AromaticContact CE1-CG 3.97Å; F304-H313 HydrophobicContact CE2-CB 3.81Å; F304-H313 AromaticContact CE2-CD2 3.21Å; F304-H313 WeakPolarHBondContact CE2-CD2 3.37Å; F304-H313 AromaticContact CE2-CG 3.5Å; F304-H313 AromaticContact CE2-NE2 3.8Å; F304-H313 HydrophobicContact CZ-CB 3.42Å; F304-H313 VanDerWaalsContact CZ-CB 3.42Å; F304-H313 AromaticContact CZ-CD2 3.27Å; F304-H313 WeakPolarHBondContact CZ-CD2 3.36Å; F304-H313 AromaticContact CZ-CE1 3.87Å; F304-H313 AromaticContact CZ-CG 3.09Å; F304-H313 AromaticContact CZ-ND1 3.51Å; F304-H313 AromaticContact CZ-NE2 3.7Å
305	N	54.8	Low	60.8	Low	60 Å²	60	80.3 Å²	80.3	32%	0.321	41%	0.408	S	S	.	.	S	Bend	trans	-89.1	-10.3	-179.8	60.3	-4.7	0	0	0	113.3	N309	N305-N309 PolarHBondContact OD1-ND2 2.89Å
306	Q	57.8	Low	60.6	Low	76 Å²	76	79.8 Å²	79.8	36%	0.355	41%	0.411	S	S	.	.	S	Bend	trans	-140.4	143.3	178	-61.9	178.5	-3.3	0	0	109.4	S308 N309 L310	Q306-S308 VanDerWaalsContact C-N 3.33Å; Q306-S308 PolarHBondContact O-N 3.49Å; Q306-N309 PolarHBondContact O-N 3.01Å; Q306-L310 PolarHBondContact O-N 2.88Å
307	S	58.6	Low	60.8	Low	63 Å²	63	75.5 Å²	75.5	44%	0.441	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-36.9	178.8	56.2	0	0	0	0	112.3	N309 L310 T311	S307-N309 VanDerWaalsContact C-N 3.3Å; S307-N309 PolarHBondContact O-N 2.99Å; S307-L310 PolarHBondContact O-N 3.1Å; S307-L310 VanDerWaalsContact O-N 3.15Å; S307-T311 PolarHBondContact O-N 3.33Å; S307-T311 PolarHBondContact O-OG1 3.11Å
308	S	63	Low	60.4	Low	65 Å²	65	79.5 Å²	79.5	46%	0.455	42%	0.419	S	S	.	.	H	α-helix	trans	-55.5	-42.1	173.9	50.8	0	0	0	0	112.7	Q306 T311 E312	Q306-S308 VanDerWaalsContact C-N 3.33Å; Q306-S308 PolarHBondContact O-N 3.49Å; S308-T311 PolarHBondContact O-N 2.75Å; S308-E312 PolarHBondContact O-N 3.09Å
309	N	60.2	Low	60.2	Low	54 Å²	54	72.4 Å²	72.4	29%	0.289	41%	0.406	S	S	.	.	H	α-helix	trans	-70.1	-36.2	178.4	-64.5	-23.4	0	0	0	111.9	F304 N305 Q306 S307 H313	F304-N309 HydrophobicContact CB-CB 4.25Å; F304-N309 HydrophobicContact CD1-CB 3.95Å; F304-N309 HydrophobicContact CG-CB 4.38Å; N305-N309 PolarHBondContact OD1-ND2 2.89Å; Q306-N309 PolarHBondContact O-N 3.01Å; S307-N309 VanDerWaalsContact C-N 3.3Å; S307-N309 PolarHBondContact O-N 2.99Å; N309-H313 WeakPolarHBondContact O-CB 3.48Å; N309-H313 PolarHBondContact O-N 3.42Å
310	L	64.2	Low	60	Low	16 Å²	16	73.1 Å²	73.1	8%	0.084	41%	0.409	C	S	.	.	H	α-helix	trans	-66.4	-41.4	172.1	174.9	63	0	0	0	110.8	C297 F304 Q306 S307 H313 K314	C297-L310 HydrophobicContact CB-CD1 3.65Å; F304-L310 HydrophobicContact CB-CB 4.23Å; F304-L310 HydrophobicContact CD2-CB 3.97Å; F304-L310 HydrophobicContact CD2-CD1 3.71Å; F304-L310 HydrophobicContact CD2-CG 4.44Å; F304-L310 HydrophobicContact CE2-CD1 3.99Å; F304-L310 HydrophobicContact CG-CB 4.25Å; Q306-L310 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 3.1Å; S307-L310 VanDerWaalsContact O-N 3.15Å; L310-H313 PolarHBondContact O-N 3.3Å; L310-K314 HydrophobicContact CD1-CG 4.23Å; L310-K314 HydrophobicContact CG-CD 4.41Å; L310-K314 HydrophobicContact CG-CG 4.46Å; L310-K314 WeakPolarHBondContact O-CB 3.32Å; L310-K314 WeakPolarHBondContact O-CG 3.43Å; L310-K314 PolarHBondContact O-N 2.98Å
311	T	61.7	Low	59.7	Low	82 Å²	82	75.6 Å²	75.6	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-63.5	-40.1	176.6	-57.3	0	0	0	0	111.9	S307 S308	S307-T311 PolarHBondContact O-N 3.33Å; S307-T311 PolarHBondContact O-OG1 3.11Å; S308-T311 PolarHBondContact O-N 2.75Å
312	E	59.6	Low	60	Low	102 Å²	102	75.7 Å²	75.7	48%	0.477	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-41	172.9	-166.1	-175.3	168.8	0	0	111.7	S308 K314 K315 W334	S308-E312 PolarHBondContact O-N 3.09Å; E312-K314 PolarHBondContact O-N 3.2Å; E312-K315 WeakPolarHBondContact O-CB 3.22Å; E312-K315 PolarHBondContact O-N 3.33Å; E312-W334 HydrophobicContact CG-CZ2 3.93Å
313	H	64.6	Low	60.5	Low	20 Å²	20	74.3 Å²	74.3	9%	0.093	40%	0.4	C	S	.	.	H	α-helix	trans	-65.3	-36.8	177.1	178.1	66.9	0	0	0	113.1	C300 F304 N309 L310 K315 I316 H317	C300-H313 PolarHBondContact SG-NE2 3.4Å; F304-H313 HydrophobicContact CE1-CB 3.86Å; F304-H313 AromaticContact CE1-CG 3.97Å; F304-H313 HydrophobicContact CE2-CB 3.81Å; F304-H313 AromaticContact CE2-CD2 3.21Å; F304-H313 WeakPolarHBondContact CE2-CD2 3.37Å; F304-H313 AromaticContact CE2-CG 3.5Å; F304-H313 AromaticContact CE2-NE2 3.8Å; F304-H313 HydrophobicContact CZ-CB 3.42Å; F304-H313 VanDerWaalsContact CZ-CB 3.42Å; F304-H313 AromaticContact CZ-CD2 3.27Å; F304-H313 WeakPolarHBondContact CZ-CD2 3.36Å; F304-H313 AromaticContact CZ-CE1 3.87Å; F304-H313 AromaticContact CZ-CG 3.09Å; F304-H313 AromaticContact CZ-ND1 3.51Å; F304-H313 AromaticContact CZ-NE2 3.7Å; N309-H313 WeakPolarHBondContact O-CB 3.48Å; N309-H313 PolarHBondContact O-N 3.42Å; L310-H313 PolarHBondContact O-N 3.3Å; H313-K315 PolarHBondContact O-N 3.46Å; H313-I316 WeakPolarHBondContact O-CB 3.41Å; H313-I316 WeakPolarHBondContact O-CG1 3.49Å; H313-I316 PolarHBondContact O-N 3.48Å; H313-H317 AromaticContact CD2-NE2 3.47Å; H313-H317 PolarHBondContact CD2-NE2 3.02Å; H313-H317 AromaticContact CE1-NE2 3.83Å; H313-H317 AromaticContact NE2-CE1 3.71Å; H313-H317 AromaticContact NE2-NE2 3.13Å; H313-H317 PolarHBondContact NE2-NE2 3.22Å; H313-H317 VanDerWaalsContact NE2-NE2 3.13Å
314	K	63.4	Low	60.5	Low	105 Å²	105	79.3 Å²	79.3	46%	0.457	42%	0.417	S	S	.	.	H	α-helix	trans	-59.6	-26.6	175.7	-79.9	179.4	175.7	-171.9	0	112.9	L310 E312 I316 H317 P318	L310-K314 HydrophobicContact CD1-CG 4.23Å; L310-K314 HydrophobicContact CG-CD 4.41Å; L310-K314 HydrophobicContact CG-CG 4.46Å; L310-K314 WeakPolarHBondContact O-CB 3.32Å; L310-K314 WeakPolarHBondContact O-CG 3.43Å; L310-K314 PolarHBondContact O-N 2.98Å; E312-K314 PolarHBondContact O-N 3.2Å; K314-I316 PolarHBondContact O-N 3.14Å; K314-I316 VanDerWaalsContact O-N 3.11Å; K314-H317 PolarHBondContact O-N 3.13Å; K314-P318 WeakPolarHBondContact O-CD 3.14Å
315	K	62.9	Low	60.7	Low	119 Å²	119	77.4 Å²	77.4	52%	0.517	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-4	173.2	-59.8	177.7	179.3	-174.4	0	113.8	E312 H313 W334	E312-K315 WeakPolarHBondContact O-CB 3.22Å; E312-K315 PolarHBondContact O-N 3.33Å; H313-K315 PolarHBondContact O-N 3.46Å; K315-W334 HydrophobicContact CD-CH2 3.6Å; K315-W334 HydrophobicContact CD-CZ2 4.05Å
316	I	58.2	Low	61.2	Low	92 Å²	92	82.5 Å²	82.5	47%	0.472	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-22.9	178.6	-52.7	175.9	0	0	0	111.6	H313 K314	H313-I316 WeakPolarHBondContact O-CB 3.41Å; H313-I316 WeakPolarHBondContact O-CG1 3.49Å; H313-I316 PolarHBondContact O-N 3.48Å; K314-I316 PolarHBondContact O-N 3.14Å; K314-I316 VanDerWaalsContact O-N 3.11Å
317	H	60	Low	61.3	Low	55 Å²	55	85 Å²	85	26%	0.255	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-33.2	-175.2	-69.3	-56	0	0	0	116.8	C297 E299 C300 H313 K314 G319	C297-H317 PolarHBondContact SG-CD2 2.89Å; C297-H317 PolarHBondContact SG-NE2 2.79Å; E299-H317 WeakPolarHBondContact OE2-CB 3.4Å; E299-H317 IonicContact OE2-CD2 2.95Å; E299-H317 PolarHBondContact OE2-CD2 2.84Å; E299-H317 IonicContact OE2-CG 2.85Å; E299-H317 IonicContact OE2-ND1 3.1Å; C300-H317 VanDerWaalsContact CB-CE1 3.48Å; C300-H317 WeakPolarHBondContact CB-CE1 3.47Å; C300-H317 PolarHBondContact SG-CE1 2.8Å; C300-H317 PolarHBondContact SG-NE2 3.15Å; C300-H317 VanDerWaalsContact SG-NE2 3.45Å; H313-H317 AromaticContact CD2-NE2 3.47Å; H313-H317 PolarHBondContact CD2-NE2 3.02Å; H313-H317 AromaticContact CE1-NE2 3.83Å; H313-H317 AromaticContact NE2-CE1 3.71Å; H313-H317 AromaticContact NE2-NE2 3.13Å; H313-H317 PolarHBondContact NE2-NE2 3.22Å; H313-H317 VanDerWaalsContact NE2-NE2 3.13Å; K314-H317 PolarHBondContact O-N 3.13Å; H317-G319 PolarHBondContact O-N 3.5Å
318	P	55.6	Low	61.7	Low	86 Å²	86	84.3 Å²	84.3	56%	0.558	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.4	178.5	-23.3	31.6	0	0	0	114.5	K314 E320	K314-P318 WeakPolarHBondContact O-CD 3.14Å; P318-E320 PolarHBondContact O-N 3.3Å
319	G	54.2	Low	61.6	Low	61 Å²	61	84.3 Å²	84.3	63%	0.629	45%	0.446	S	S	*	.			trans	66.2	-15.3	-177.9	0	0	0	0	0	114.3	H317 K321	H317-G319 PolarHBondContact O-N 3.5Å; G319-K321 PolarHBondContact O-N 3.24Å
320	E	54.6	Low	61.9	Low	152 Å²	152	87.7 Å²	87.7	71%	0.71	46%	0.459	S	S	*	.			trans	-67.6	105.9	173.2	-62.8	-161.4	167.5	0	0	109	P318 P322	P318-E320 PolarHBondContact O-N 3.3Å; E320-P322 VanDerWaalsContact O-CD 3.23Å; E320-P322 WeakPolarHBondContact O-CD 3.33Å
321	K	58.7	Low	61.9	Low	101 Å²	101	88.2 Å²	88.2	44%	0.439	47%	0.465	S	S	.	.			trans	-95.3	88.7	163.6	-79.6	156.1	169.7	-171	0	105.9	G319 Y323 A331 F332 N333	G319-K321 PolarHBondContact O-N 3.24Å; K321-Y323 PolarHBondContact O-N 3.1Å; K321-Y323 VanDerWaalsContact O-N 3.09Å; K321-A331 HydrophobicContact CB-CB 3.29Å; K321-A331 HydrophobicContact CD-CB 3.75Å; K321-A331 VanDerWaalsContact CD-O 3.27Å; K321-A331 WeakPolarHBondContact CD-O 3.36Å; K321-A331 HydrophobicContact CG-CB 4.08Å; K321-F332 CarbonylContact C-O 3.27Å; K321-F332 WeakPolarHBondContact CA-O 3.2Å; K321-N333 WeakPolarHBondContact CG-OD1 3.4Å
322	P	63.2	Low	62.5	Low	85 Å²	85	86.3 Å²	86.3	55%	0.552	45%	0.45	S	S	*	.			trans	-66.6	-21.1	-167.5	-17.7	33.5	0	0	0	111.6	E320 K324	E320-P322 VanDerWaalsContact O-CD 3.23Å; E320-P322 WeakPolarHBondContact O-CD 3.33Å; P322-K324 PolarHBondContact O-N 3.29Å
323	Y	67.4	Low	62.8	Low	95 Å²	95	83.9 Å²	83.9	37%	0.373	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	89.5	-174	-53.5	-77.3	0	0	0	109.6	K321 F332 P335	K321-Y323 PolarHBondContact O-N 3.1Å; K321-Y323 VanDerWaalsContact O-N 3.09Å; Y323-F332 PolarHBondContact N-O 3.09Å; Y323-F332 PolarHBondContact O-N 2.86Å; Y323-P335 HydrophobicContact CD1-CB 3.72Å; Y323-P335 HydrophobicContact CD1-CG 4.12Å; Y323-P335 HydrophobicContact CD2-CG 4.44Å; Y323-P335 HydrophobicContact CE1-CB 3.66Å; Y323-P335 HydrophobicContact CE1-CG 3.62Å; Y323-P335 VanDerWaalsContact CE2-CD 3.44Å; Y323-P335 HydrophobicContact CE2-CG 4.02Å; Y323-P335 HydrophobicContact CG-CB 4.16Å; Y323-P335 HydrophobicContact CG-CG 4.49Å
324	K	59.2	Low	63	Low	135 Å²	135	87.3 Å²	87.3	59%	0.587	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.1	176.4	-63.9	-178	-178.3	173.6	0	111.1	P322 A331 L338	P322-K324 PolarHBondContact O-N 3.29Å; K324-A331 HydrophobicContact CG-CB 3.79Å; K324-L338 WeakPolarHBondContact O-CD2 3.28Å
325	C	72.2	Confident	63.1	Low	1 Å²	1	84.9 Å²	84.9	1%	0.007	45%	0.448	C	S	.	.			trans	-91.5	109.2	170.7	-178.5	0	0	0	0	108.8	E327 C328 G329 K330 F332 L338 H345	C325-E327 PolarHBondContact O-N 2.72Å; C325-C328 PolarHBondContact O-N 3.24Å; C325-G329 VanDerWaalsContact O-CA 3.32Å; C325-G329 WeakPolarHBondContact O-CA 3.44Å; C325-G329 PolarHBondContact O-N 3.35Å; C325-K330 WeakPolarHBondContact CB-O 3.43Å; C325-K330 PolarHBondContact N-O 2.99Å; C325-F332 HydrophobicContact CB-CE2 4.28Å; C325-L338 HydrophobicContact CB-CD1 3.56Å; C325-H345 VanDerWaalsContact SG-CD2 3.51Å; C325-H345 PolarHBondContact SG-NE2 3.15Å
326	E	66.6	Low	63.4	Low	167 Å²	167	82.5 Å²	82.5	78%	0.78	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-31.7	-179.4	-59.4	-52.5	135.5	0	0	113.3
327	E	59.3	Low	64	Low	128 Å²	128	80.4 Å²	80.4	60%	0.598	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.2	-177.3	-66.2	174.4	152.5	0	0	114.5	C325 H345	C325-E327 PolarHBondContact O-N 2.72Å; E327-H345 WeakPolarHBondContact OE2-CB 3.4Å; E327-H345 IonicContact OE2-CD2 3.4Å; E327-H345 PolarHBondContact OE2-CD2 3.12Å; E327-H345 IonicContact OE2-CG 3.13Å
328	C	66.3	Low	64.6	Low	50 Å²	50	78.6 Å²	78.6	34%	0.338	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	10.1	-177.3	83.9	0	0	0	0	115.1	C325 K330 H341 H345	C325-C328 PolarHBondContact O-N 3.24Å; C328-K330 PolarHBondContact O-N 3.33Å; C328-H341 PolarHBondContact SG-NE2 3.46Å; C328-H345 PolarHBondContact SG-NE2 2.74Å
329	G	62.1	Low	65.3	Low	64 Å²	64	78 Å²	78	66%	0.66	43%	0.425	S	S	*	.			trans	64.8	5.5	177.6	0	0	0	0	0	115.6	C325	C325-G329 VanDerWaalsContact O-CA 3.32Å; C325-G329 WeakPolarHBondContact O-CA 3.44Å; C325-G329 PolarHBondContact O-N 3.35Å
330	K	65.8	Low	66.2	Low	126 Å²	126	80 Å²	80	55%	0.548	42%	0.416	S	S	.	.			trans	-78.3	128.7	-178.1	-74.5	179.6	-177	171.9	0	110.3	C325 C328 F332	C325-K330 WeakPolarHBondContact CB-O 3.43Å; C325-K330 PolarHBondContact N-O 2.99Å; C328-K330 PolarHBondContact O-N 3.33Å; K330-F332 HydrophobicContact CB-CE2 3.81Å; K330-F332 HydrophobicContact CB-CZ 3.93Å; K330-F332 WeakPolarHBondContact O-CD2 3.3Å; K330-F332 VanDerWaalsContact O-CE2 3.24Å; K330-F332 WeakPolarHBondContact O-CE2 3.46Å
331	A	65.5	Low	67.1	Low	27 Å²	27	73.7 Å²	73.7	22%	0.223	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.1	-177.2	0	0	0	0	0	111.2	K321 K324	K321-A331 HydrophobicContact CB-CB 3.29Å; K321-A331 HydrophobicContact CD-CB 3.75Å; K321-A331 VanDerWaalsContact CD-O 3.27Å; K321-A331 WeakPolarHBondContact CD-O 3.36Å; K321-A331 HydrophobicContact CG-CB 4.08Å; K324-A331 HydrophobicContact CG-CB 3.79Å
332	F	74.5	Confident	67.6	Low	41 Å²	41	73.4 Å²	73.4	18%	0.18	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.2	-173.7	-60.7	-89.6	0	0	0	111.8	K321 Y323 C325 K330 W334 T337 L338 H341	K321-F332 CarbonylContact C-O 3.27Å; K321-F332 WeakPolarHBondContact CA-O 3.2Å; Y323-F332 PolarHBondContact N-O 3.09Å; Y323-F332 PolarHBondContact O-N 2.86Å; C325-F332 HydrophobicContact CB-CE2 4.28Å; K330-F332 HydrophobicContact CB-CE2 3.81Å; K330-F332 HydrophobicContact CB-CZ 3.93Å; K330-F332 WeakPolarHBondContact O-CD2 3.3Å; K330-F332 VanDerWaalsContact O-CE2 3.24Å; K330-F332 WeakPolarHBondContact O-CE2 3.46Å; F332-W334 VanDerWaalsContact C-N 3.31Å; F332-T337 WeakPolarHBondContact CB-OG1 3.33Å; F332-L338 HydrophobicContact CB-CB 4.22Å; F332-L338 HydrophobicContact CD2-CB 3.92Å; F332-L338 HydrophobicContact CD2-CD1 3.6Å; F332-L338 HydrophobicContact CD2-CG 4.35Å; F332-L338 HydrophobicContact CE2-CD1 3.81Å; F332-L338 HydrophobicContact CG-CB 4.21Å; F332-H341 HydrophobicContact CE1-CB 3.88Å; F332-H341 AromaticContact CE1-CG 3.99Å; F332-H341 HydrophobicContact CE2-CB 3.89Å; F332-H341 AromaticContact CE2-CD2 3.29Å; F332-H341 WeakPolarHBondContact CE2-CD2 3.31Å; F332-H341 AromaticContact CE2-CG 3.59Å; F332-H341 AromaticContact CE2-NE2 3.94Å; F332-H341 HydrophobicContact CZ-CB 3.43Å; F332-H341 VanDerWaalsContact CZ-CB 3.43Å; F332-H341 AromaticContact CZ-CD2 3.31Å; F332-H341 WeakPolarHBondContact CZ-CD2 3.19Å; F332-H341 AromaticContact CZ-CE1 3.98Å; F332-H341 AromaticContact CZ-CG 3.12Å; F332-H341 AromaticContact CZ-ND1 3.58Å; F332-H341 AromaticContact CZ-NE2 3.81Å
333	N	65.3	Low	68.2	Low	51 Å²	51	71.8 Å²	71.8	27%	0.273	37%	0.368	S	S	.	.	S	Bend	trans	-79.7	-16.5	-178.5	-56.9	7.1	0	0	0	112.2	K321	K321-N333 WeakPolarHBondContact CG-OD1 3.4Å
334	W	69.1	Low	68.2	Low	92 Å²	92	72.4 Å²	72.4	35%	0.348	38%	0.377	S	S	.	.	S	Bend	trans	-139.5	141	-176.8	-58.5	106.8	0	0	0	112.3	E312 K315 F332 S336 T337 L338	E312-W334 HydrophobicContact CG-CZ2 3.93Å; K315-W334 HydrophobicContact CD-CH2 3.6Å; K315-W334 HydrophobicContact CD-CZ2 4.05Å; F332-W334 VanDerWaalsContact C-N 3.31Å; W334-S336 VanDerWaalsContact C-N 3.28Å; W334-S336 PolarHBondContact O-N 3.38Å; W334-T337 HydrophobicContact CB-CG2 4.19Å; W334-T337 PolarHBondContact O-N 3.32Å; W334-T337 PolarHBondContact O-OG1 3.39Å; W334-L338 PolarHBondContact O-N 3.49Å; W334-L338 VanDerWaalsContact O-N 3.13Å
335	P	65.6	Low	68.4	Low	55 Å²	55	69.4 Å²	69.4	36%	0.357	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-30.8	179.9	13.6	-12.9	0	0	0	112.4	Y323 T337 L338 T339	Y323-P335 HydrophobicContact CD1-CB 3.72Å; Y323-P335 HydrophobicContact CD1-CG 4.12Å; Y323-P335 HydrophobicContact CD2-CG 4.44Å; Y323-P335 HydrophobicContact CE1-CB 3.66Å; Y323-P335 HydrophobicContact CE1-CG 3.62Å; Y323-P335 VanDerWaalsContact CE2-CD 3.44Å; Y323-P335 HydrophobicContact CE2-CG 4.02Å; Y323-P335 HydrophobicContact CG-CB 4.16Å; Y323-P335 HydrophobicContact CG-CG 4.49Å; P335-T337 VanDerWaalsContact C-N 3.26Å; P335-T337 PolarHBondContact O-N 3.47Å; P335-L338 PolarHBondContact O-N 3.41Å; P335-T339 WeakPolarHBondContact O-CB 3.17Å; P335-T339 PolarHBondContact O-N 2.96Å; P335-T339 PolarHBondContact O-OG1 2.98Å
336	S	69.1	Low	67.9	Low	68 Å²	68	72.9 Å²	72.9	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-28.8	174	66.5	0	0	0	0	113	W334 K340	W334-S336 VanDerWaalsContact C-N 3.28Å; W334-S336 PolarHBondContact O-N 3.38Å; S336-K340 WeakPolarHBondContact O-CD 3.29Å; S336-K340 VanDerWaalsContact O-CG 3.25Å; S336-K340 WeakPolarHBondContact O-CG 3.41Å; S336-K340 PolarHBondContact O-N 3.43Å
337	T	70.5	Confident	67.7	Low	49 Å²	49	67.2 Å²	67.2	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-81.5	-37.4	175.9	58.6	0	0	0	0	112.4	F332 W334 P335 K340 H341	F332-T337 WeakPolarHBondContact CB-OG1 3.33Å; W334-T337 HydrophobicContact CB-CG2 4.19Å; W334-T337 PolarHBondContact O-N 3.32Å; W334-T337 PolarHBondContact O-OG1 3.39Å; P335-T337 VanDerWaalsContact C-N 3.26Å; P335-T337 PolarHBondContact O-N 3.47Å; T337-K340 PolarHBondContact O-N 2.85Å; T337-H341 WeakPolarHBondContact O-CB 3.49Å; T337-H341 PolarHBondContact O-N 3.08Å
338	L	73.1	Confident	68	Low	16 Å²	16	66.1 Å²	66.1	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-43.9	169.2	175.1	62.1	0	0	0	111	K324 C325 F332 W334 P335 K340 H341 K342	K324-L338 WeakPolarHBondContact O-CD2 3.28Å; C325-L338 HydrophobicContact CB-CD1 3.56Å; F332-L338 HydrophobicContact CB-CB 4.22Å; F332-L338 HydrophobicContact CD2-CB 3.92Å; F332-L338 HydrophobicContact CD2-CD1 3.6Å; F332-L338 HydrophobicContact CD2-CG 4.35Å; F332-L338 HydrophobicContact CE2-CD1 3.81Å; F332-L338 HydrophobicContact CG-CB 4.21Å; W334-L338 PolarHBondContact O-N 3.49Å; W334-L338 VanDerWaalsContact O-N 3.13Å; P335-L338 PolarHBondContact O-N 3.41Å; L338-K340 PolarHBondContact O-N 3.39Å; L338-H341 CarbonylContact O-C 3.6Å; L338-H341 WeakPolarHBondContact O-CA 3.32Å; L338-H341 WeakPolarHBondContact O-CB 3.45Å; L338-H341 PolarHBondContact O-N 3.28Å; L338-K342 HydrophobicContact CD1-CG 4.14Å; L338-K342 HydrophobicContact CG-CD 4.43Å; L338-K342 HydrophobicContact CG-CG 4.37Å; L338-K342 WeakPolarHBondContact O-CG 3.39Å; L338-K342 PolarHBondContact O-N 2.89Å
339	T	70.3	Confident	68.3	Low	74 Å²	74	69.6 Å²	69.6	45%	0.454	38%	0.376	S	S	.	.	H	α-helix	trans	-61.2	-42.9	177.8	-55.8	0	0	0	0	111.6	P335 H341	P335-T339 WeakPolarHBondContact O-CB 3.17Å; P335-T339 PolarHBondContact O-N 2.96Å; P335-T339 PolarHBondContact O-OG1 2.98Å; T339-H341 VanDerWaalsContact C-N 3.28Å; T339-H341 PolarHBondContact O-N 3.25Å
340	K	72.6	Confident	69	Low	102 Å²	102	69.8 Å²	69.8	44%	0.443	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-31.3	173.3	-72.9	168.8	-172.9	172	0	112.6	S336 T337 L338	S336-K340 WeakPolarHBondContact O-CD 3.29Å; S336-K340 VanDerWaalsContact O-CG 3.25Å; S336-K340 WeakPolarHBondContact O-CG 3.41Å; S336-K340 PolarHBondContact O-N 3.43Å; T337-K340 PolarHBondContact O-N 2.85Å; L338-K340 PolarHBondContact O-N 3.39Å
341	H	73.9	Confident	69.5	Low	20 Å²	20	67.3 Å²	67.3	9%	0.093	35%	0.354	C	S	.	.	H	α-helix	trans	-75.5	-41.2	177.5	173.2	69.8	0	0	0	112.7	C328 F332 T337 L338 T339 R343 I344 H345	C328-H341 PolarHBondContact SG-NE2 3.46Å; F332-H341 HydrophobicContact CE1-CB 3.88Å; F332-H341 AromaticContact CE1-CG 3.99Å; F332-H341 HydrophobicContact CE2-CB 3.89Å; F332-H341 AromaticContact CE2-CD2 3.29Å; F332-H341 WeakPolarHBondContact CE2-CD2 3.31Å; F332-H341 AromaticContact CE2-CG 3.59Å; F332-H341 AromaticContact CE2-NE2 3.94Å; F332-H341 HydrophobicContact CZ-CB 3.43Å; F332-H341 VanDerWaalsContact CZ-CB 3.43Å; F332-H341 AromaticContact CZ-CD2 3.31Å; F332-H341 WeakPolarHBondContact CZ-CD2 3.19Å; F332-H341 AromaticContact CZ-CE1 3.98Å; F332-H341 AromaticContact CZ-CG 3.12Å; F332-H341 AromaticContact CZ-ND1 3.58Å; F332-H341 AromaticContact CZ-NE2 3.81Å; T337-H341 WeakPolarHBondContact O-CB 3.49Å; T337-H341 PolarHBondContact O-N 3.08Å; L338-H341 CarbonylContact O-C 3.6Å; L338-H341 WeakPolarHBondContact O-CA 3.32Å; L338-H341 WeakPolarHBondContact O-CB 3.45Å; L338-H341 PolarHBondContact O-N 3.28Å; T339-H341 VanDerWaalsContact C-N 3.28Å; T339-H341 PolarHBondContact O-N 3.25Å; H341-R343 PolarHBondContact O-N 3.47Å; H341-I344 VanDerWaalsContact O-CB 3.22Å; H341-I344 WeakPolarHBondContact O-CB 3.3Å; H341-I344 WeakPolarHBondContact O-CG1 3.47Å; H341-I344 PolarHBondContact O-N 2.82Å; H341-H345 AromaticContact CD2-NE2 3.96Å; H341-H345 AromaticContact CE1-NE2 3.82Å; H341-H345 AromaticContact NE2-CE1 4Å; H341-H345 AromaticContact NE2-NE2 3.24Å; H341-H345 PolarHBondContact NE2-NE2 3.42Å
342	K	67.6	Low	69	Low	95 Å²	95	69.9 Å²	69.9	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-56.2	-31.7	176.9	-75.6	-173.6	174	-169.7	0	112.6	L338 I344 H345 T346	L338-K342 HydrophobicContact CD1-CG 4.14Å; L338-K342 HydrophobicContact CG-CD 4.43Å; L338-K342 HydrophobicContact CG-CG 4.37Å; L338-K342 WeakPolarHBondContact O-CG 3.39Å; L338-K342 PolarHBondContact O-N 2.89Å; K342-I344 PolarHBondContact O-N 3.39Å; K342-H345 PolarHBondContact O-N 3.07Å; K342-T346 PolarHBondContact O-N 3.1Å; K342-T346 VanDerWaalsContact O-N 3.08Å; K342-T346 PolarHBondContact O-OG1 3.21Å
343	R	77.2	Confident	69	Low	52 Å²	52	68 Å²	68	20%	0.196	36%	0.359	C	S	.	.	H	α-helix	trans	-60.2	-14.4	172.4	-63.8	176.9	-172.4	-178.6	-0.9	114.8	H341 G347 E348 N361	H341-R343 PolarHBondContact O-N 3.47Å; R343-G347 PolarHBondContact O-N 2.88Å; R343-E348 HydrophobicContact CB-CB 4.42Å; R343-E348 HydrophobicContact CG-CB 4.26Å; R343-E348 PolarHBondContact O-N 3.41Å; R343-N361 PolarHBondContact NH1-O 3.32Å
344	I	66.2	Low	69.2	Low	107 Å²	107	73.5 Å²	73.5	55%	0.549	38%	0.383	S	S	.	.	H	α-helix	trans	-78.6	-35	174.3	-58.6	174.7	0	0	0	110.5	H341 K342	H341-I344 VanDerWaalsContact O-CB 3.22Å; H341-I344 WeakPolarHBondContact O-CB 3.3Å; H341-I344 WeakPolarHBondContact O-CG1 3.47Å; H341-I344 PolarHBondContact O-N 2.82Å; K342-I344 PolarHBondContact O-N 3.39Å
345	H	63.5	Low	68.8	Low	72 Å²	72	74.9 Å²	74.9	33%	0.333	39%	0.393	S	S	.	.	H	α-helix	trans	-83.1	-43.8	-179.7	-56.6	-49.1	0	0	0	111.6	C325 E327 C328 H341 K342 G347	C325-H345 VanDerWaalsContact SG-CD2 3.51Å; C325-H345 PolarHBondContact SG-NE2 3.15Å; E327-H345 WeakPolarHBondContact OE2-CB 3.4Å; E327-H345 IonicContact OE2-CD2 3.4Å; E327-H345 PolarHBondContact OE2-CD2 3.12Å; E327-H345 IonicContact OE2-CG 3.13Å; C328-H345 PolarHBondContact SG-NE2 2.74Å; H341-H345 AromaticContact CD2-NE2 3.96Å; H341-H345 AromaticContact CE1-NE2 3.82Å; H341-H345 AromaticContact NE2-CE1 4Å; H341-H345 AromaticContact NE2-NE2 3.24Å; H341-H345 PolarHBondContact NE2-NE2 3.42Å; K342-H345 PolarHBondContact O-N 3.07Å; H345-G347 PolarHBondContact O-N 3.1Å
346	T	61.2	Low	68.8	Low	75 Å²	75	74.7 Å²	74.7	46%	0.46	39%	0.393	S	S	.	.	S	Bend	trans	-74.2	-11.9	177.6	63.2	0	0	0	0	113.3	K342 E348	K342-T346 PolarHBondContact O-N 3.1Å; K342-T346 VanDerWaalsContact O-N 3.08Å; K342-T346 PolarHBondContact O-OG1 3.21Å; T346-E348 PolarHBondContact O-N 2.82Å; T346-E348 VanDerWaalsContact O-N 3.13Å; T346-E348 WeakPolarHBondContact OG1-CG 3.43Å
347	G	62.6	Low	68.7	Low	47 Å²	47	74.3 Å²	74.3	49%	0.485	40%	0.399	S	S	.	.			trans	68.7	4.8	-176.6	0	0	0	0	0	114.4	R343 H345 K349	R343-G347 PolarHBondContact O-N 2.88Å; H345-G347 PolarHBondContact O-N 3.1Å; G347-K349 PolarHBondContact O-N 3.49Å
348	E	66.9	Low	68.5	Low	105 Å²	105	78 Å²	78	49%	0.491	41%	0.411	S	S	.	.			trans	-58	125.3	-179.8	-78.2	176.7	-163.8	0	0	111.8	R343 T346 P350	R343-E348 HydrophobicContact CB-CB 4.42Å; R343-E348 HydrophobicContact CG-CB 4.26Å; R343-E348 PolarHBondContact O-N 3.41Å; T346-E348 PolarHBondContact O-N 2.82Å; T346-E348 VanDerWaalsContact O-N 3.13Å; T346-E348 WeakPolarHBondContact OG1-CG 3.43Å; E348-P350 WeakPolarHBondContact O-CD 3.45Å
349	K	72.9	Confident	68.6	Low	124 Å²	124	78.9 Å²	78.9	54%	0.539	42%	0.421	S	S	.	.			trans	-125	75.9	176.6	-71.3	166.7	179.8	175.5	0	109.6	G347 Y351 A359 F360	G347-K349 PolarHBondContact O-N 3.49Å; K349-Y351 PolarHBondContact O-N 3.32Å; K349-A359 HydrophobicContact CB-CB 3.45Å; K349-A359 VanDerWaalsContact CB-CB 3.45Å; K349-A359 HydrophobicContact CD-CB 4.02Å; K349-A359 WeakPolarHBondContact CD-O 3.4Å; K349-A359 HydrophobicContact CG-CB 4.35Å; K349-F360 CarbonylContact C-O 3.57Å; K349-F360 VanDerWaalsContact C-O 3.24Å; K349-F360 WeakPolarHBondContact CA-O 3.47Å
350	P	75.4	Confident	68.9	Low	68 Å²	68	77.4 Å²	77.4	44%	0.442	41%	0.408	S	S	.	.			trans	-65.7	-15.9	-170.3	-22	34.6	0	0	0	114.4	E348	E348-P350 WeakPolarHBondContact O-CD 3.45Å
351	Y	76	Confident	68.9	Low	73 Å²	73	74.8 Å²	74.8	29%	0.286	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	95.1	-173.4	-54.4	-74.1	0	0	0	110	K349 A359 F360 F363	K349-Y351 PolarHBondContact O-N 3.32Å; Y351-A359 CarbonylContact O-C 3.55Å; Y351-F360 WeakPolarHBondContact CB-O 3.45Å; Y351-F360 PolarHBondContact N-O 3.29Å; Y351-F360 VanDerWaalsContact N-O 3.07Å; Y351-F360 PolarHBondContact O-N 3.1Å; Y351-F363 HydrophobicContact CD1-CB 3.97Å; Y351-F363 AromaticContact CD1-CD2 3.88Å; Y351-F363 HydrophobicContact CD1-CD2 3.88Å; Y351-F363 HydrophobicContact CD1-CG 4.44Å; Y351-F363 HydrophobicContact CD2-CB 4.46Å; Y351-F363 VanDerWaalsContact CD2-N 3.27Å; Y351-F363 HydrophobicContact CE1-CB 3.8Å; Y351-F363 HydrophobicContact CE1-CD2 4.12Å; Y351-F363 HydrophobicContact CE1-CG 4.42Å; Y351-F363 HydrophobicContact CE2-CB 4.29Å; Y351-F363 VanDerWaalsContact CE2-N 3.33Å; Y351-F363 HydrophobicContact CG-CB 4.29Å
352	T	55.2	Low	69	Low	82 Å²	82	77.2 Å²	77.2	50%	0.503	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	143	178.5	51.7	0	0	0	0	111.7	A359 L366	T352-A359 HydrophobicContact CG2-CB 3.84Å; T352-L366 WeakPolarHBondContact O-CD2 3.26Å
353	C	74.8	Confident	69	Low	1 Å²	1	78.9 Å²	78.9	1%	0.007	42%	0.418	C	S	.	.			trans	-88.9	113.3	170.7	-172.2	0	0	0	0	109.1	E355 C356 G357 K358 F360 L366 H369 H373	C353-E355 VanDerWaalsContact C-N 3.25Å; C353-E355 PolarHBondContact O-N 2.94Å; C353-C356 PolarHBondContact O-N 3.03Å; C353-G357 VanDerWaalsContact O-CA 3.24Å; C353-G357 WeakPolarHBondContact O-CA 3.39Å; C353-G357 PolarHBondContact O-N 3.35Å; C353-K358 WeakPolarHBondContact CB-O 3.24Å; C353-K358 PolarHBondContact N-O 2.87Å; C353-F360 HydrophobicContact CB-CE2 4.34Å; C353-L366 HydrophobicContact CB-CD1 3.6Å; C353-H369 VanDerWaalsContact SG-CD2 3.51Å; C353-H373 PolarHBondContact SG-CD2 2.9Å; C353-H373 PolarHBondContact SG-NE2 3.05Å
354	E	69.5	Low	68.7	Low	167 Å²	167	79.1 Å²	79.1	78%	0.78	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.2	-179.8	-67.1	165.3	169.5	0	0	112.3	C356	E354-C356 PolarHBondContact O-N 3.49Å
355	E	60.9	Low	69	Low	120 Å²	120	76.2 Å²	76.2	56%	0.561	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20	-177	-66.9	176.2	-131.7	0	0	115	C353 H373	C353-E355 VanDerWaalsContact C-N 3.25Å; C353-E355 PolarHBondContact O-N 2.94Å; E355-H373 HydrophobicContact CB-CB 4.47Å; E355-H373 WeakPolarHBondContact OE2-CB 3.24Å; E355-H373 IonicContact OE2-CD2 3.12Å; E355-H373 IonicContact OE2-CG 3.21Å
356	C	66.2	Low	69.5	Low	52 Å²	52	73.2 Å²	73.2	35%	0.351	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	5.4	-177.5	76.5	0	0	0	0	115.1	C353 E354 K358 H369 H373	C353-C356 PolarHBondContact O-N 3.03Å; E354-C356 PolarHBondContact O-N 3.49Å; C356-K358 PolarHBondContact O-N 2.94Å; C356-K358 VanDerWaalsContact O-N 3.13Å; C356-H369 PolarHBondContact SG-NE2 3.11Å; C356-H373 VanDerWaalsContact CB-CE1 3.41Å; C356-H373 WeakPolarHBondContact CB-CE1 2.97Å; C356-H373 VanDerWaalsContact SG-CE1 3.5Å; C356-H373 PolarHBondContact SG-NE2 3Å
357	G	66.4	Low	69.8	Low	59 Å²	59	72.1 Å²	72.1	61%	0.608	39%	0.392	S	S	*	.			trans	68.7	2.1	-179.2	0	0	0	0	0	115.7	C353 A359	C353-G357 VanDerWaalsContact O-CA 3.24Å; C353-G357 WeakPolarHBondContact O-CA 3.39Å; C353-G357 PolarHBondContact O-N 3.35Å; G357-A359 PolarHBondContact O-N 3.21Å
358	K	67.3	Low	69.8	Low	126 Å²	126	71.2 Å²	71.2	55%	0.548	38%	0.378	S	S	.	.			trans	-73.4	126.9	-178	-73.6	-179.4	179.9	174.2	0	111.7	C353 C356 F360	C353-K358 WeakPolarHBondContact CB-O 3.24Å; C353-K358 PolarHBondContact N-O 2.87Å; C356-K358 PolarHBondContact O-N 2.94Å; C356-K358 VanDerWaalsContact O-N 3.13Å; K358-F360 HydrophobicContact CB-CE2 3.86Å; K358-F360 HydrophobicContact CB-CZ 3.95Å; K358-F360 WeakPolarHBondContact O-CD2 3.47Å; K358-F360 WeakPolarHBondContact O-CE2 3.2Å
359	A	74.1	Confident	69.9	Low	35 Å²	35	67 Å²	67	29%	0.289	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141	-179.5	0	0	0	0	0	112.6	K349 Y351 T352 G357	K349-A359 HydrophobicContact CB-CB 3.45Å; K349-A359 VanDerWaalsContact CB-CB 3.45Å; K349-A359 HydrophobicContact CD-CB 4.02Å; K349-A359 WeakPolarHBondContact CD-O 3.4Å; K349-A359 HydrophobicContact CG-CB 4.35Å; Y351-A359 CarbonylContact O-C 3.55Å; T352-A359 HydrophobicContact CG2-CB 3.84Å; G357-A359 PolarHBondContact O-N 3.21Å
360	F	77.8	Confident	69.5	Low	43 Å²	43	64.6 Å²	64.6	19%	0.189	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.5	-177.6	-58.7	-87.9	0	0	0	111.1	K349 Y351 C353 K358 N365 L366 H369	K349-F360 CarbonylContact C-O 3.57Å; K349-F360 VanDerWaalsContact C-O 3.24Å; K349-F360 WeakPolarHBondContact CA-O 3.47Å; Y351-F360 WeakPolarHBondContact CB-O 3.45Å; Y351-F360 PolarHBondContact N-O 3.29Å; Y351-F360 VanDerWaalsContact N-O 3.07Å; Y351-F360 PolarHBondContact O-N 3.1Å; C353-F360 HydrophobicContact CB-CE2 4.34Å; K358-F360 HydrophobicContact CB-CE2 3.86Å; K358-F360 HydrophobicContact CB-CZ 3.95Å; K358-F360 WeakPolarHBondContact O-CD2 3.47Å; K358-F360 WeakPolarHBondContact O-CE2 3.2Å; F360-N365 HydrophobicContact CB-CB 4.21Å; F360-N365 HydrophobicContact CD1-CB 3.98Å; F360-N365 HydrophobicContact CG-CB 4.34Å; F360-L366 HydrophobicContact CB-CB 4.31Å; F360-L366 HydrophobicContact CD2-CB 3.91Å; F360-L366 HydrophobicContact CD2-CD1 3.76Å; F360-L366 HydrophobicContact CD2-CG 4.45Å; F360-L366 HydrophobicContact CE2-CD1 3.98Å; F360-L366 HydrophobicContact CG-CB 4.29Å; F360-H369 HydrophobicContact CE1-CB 3.96Å; F360-H369 HydrophobicContact CE2-CB 3.71Å; F360-H369 AromaticContact CE2-CD2 3.34Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.37Å; F360-H369 AromaticContact CE2-CG 3.44Å; F360-H369 VanDerWaalsContact CE2-CG 3.44Å; F360-H369 HydrophobicContact CZ-CB 3.39Å; F360-H369 AromaticContact CZ-CD2 3.47Å; F360-H369 VanDerWaalsContact CZ-CD2 3.47Å; F360-H369 WeakPolarHBondContact CZ-CD2 3.39Å; F360-H369 AromaticContact CZ-CE1 3.99Å; F360-H369 AromaticContact CZ-CG 3.11Å; F360-H369 AromaticContact CZ-ND1 3.47Å; F360-H369 WeakPolarHBondContact CZ-ND1 3.47Å; F360-H369 AromaticContact CZ-NE2 3.98Å
361	N	71.7	Confident	69.1	Low	47 Å²	47	66.1 Å²	66.1	25%	0.251	34%	0.344	S	S	.	.	S	Bend	trans	-80.1	-15.7	179	59.6	9.1	0	0	0	113.9	R343 N365	R343-N361 PolarHBondContact NH1-O 3.32Å; N361-N365 PolarHBondContact OD1-ND2 3.03Å
362	Q	75	Confident	68.4	Low	71 Å²	71	67.9 Å²	67.9	33%	0.332	36%	0.357	S	S	.	.	S	Bend	trans	-136.7	140.4	179.5	-62	-178.3	7.6	0	0	111.1	S364 N365 L366	Q362-S364 VanDerWaalsContact C-N 3.32Å; Q362-S364 PolarHBondContact O-N 2.9Å; Q362-N365 WeakPolarHBondContact O-CB 3.44Å; Q362-N365 PolarHBondContact O-N 3.02Å; Q362-N365 VanDerWaalsContact O-N 3.1Å; Q362-L366 PolarHBondContact O-N 3.24Å
363	F	69.3	Low	68.5	Low	131 Å²	131	66.8 Å²	66.8	58%	0.575	35%	0.347	S	S	*	.	H	α-helix	trans	-59.3	-41.3	178.8	-176.9	-102.7	0	0	0	112.4	Y351 N365 L366 T367	Y351-F363 HydrophobicContact CD1-CB 3.97Å; Y351-F363 AromaticContact CD1-CD2 3.88Å; Y351-F363 HydrophobicContact CD1-CD2 3.88Å; Y351-F363 HydrophobicContact CD1-CG 4.44Å; Y351-F363 HydrophobicContact CD2-CB 4.46Å; Y351-F363 VanDerWaalsContact CD2-N 3.27Å; Y351-F363 HydrophobicContact CE1-CB 3.8Å; Y351-F363 HydrophobicContact CE1-CD2 4.12Å; Y351-F363 HydrophobicContact CE1-CG 4.42Å; Y351-F363 HydrophobicContact CE2-CB 4.29Å; Y351-F363 VanDerWaalsContact CE2-N 3.33Å; Y351-F363 HydrophobicContact CG-CB 4.29Å; F363-N365 PolarHBondContact O-N 3.29Å; F363-L366 CarbonylContact O-C 3.57Å; F363-L366 WeakPolarHBondContact O-CA 3.29Å; F363-L366 WeakPolarHBondContact O-CB 3.48Å; F363-L366 PolarHBondContact O-N 3.29Å; F363-T367 WeakPolarHBondContact CE1-OG1 3.45Å; F363-T367 PolarHBondContact O-N 3.49Å; F363-T367 PolarHBondContact O-OG1 2.68Å
364	S	69.6	Low	67.6	Low	57 Å²	57	70.5 Å²	70.5	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-57.3	-32.1	176.8	57.3	0	0	0	0	113.2	Q362 T368	Q362-S364 VanDerWaalsContact C-N 3.32Å; Q362-S364 PolarHBondContact O-N 2.9Å; S364-T368 WeakPolarHBondContact O-CG2 3.43Å; S364-T368 PolarHBondContact O-N 3.46Å; S364-T368 VanDerWaalsContact O-N 3.1Å; S364-T368 PolarHBondContact O-OG1 3.25Å
365	N	73.3	Confident	66.7	Low	46 Å²	46	66.6 Å²	66.6	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-75	-42	176.5	-66.7	-26	0	0	0	111	F360 N361 Q362 F363 T368 H369	F360-N365 HydrophobicContact CB-CB 4.21Å; F360-N365 HydrophobicContact CD1-CB 3.98Å; F360-N365 HydrophobicContact CG-CB 4.34Å; N361-N365 PolarHBondContact OD1-ND2 3.03Å; Q362-N365 WeakPolarHBondContact O-CB 3.44Å; Q362-N365 PolarHBondContact O-N 3.02Å; Q362-N365 VanDerWaalsContact O-N 3.1Å; F363-N365 PolarHBondContact O-N 3.29Å; N365-T368 WeakPolarHBondContact CA-OG1 3.35Å; N365-T368 PolarHBondContact O-N 2.93Å; N365-T368 PolarHBondContact O-OG1 3.39Å; N365-H369 VanDerWaalsContact O-CB 3.32Å; N365-H369 WeakPolarHBondContact O-CB 3.45Å; N365-H369 PolarHBondContact O-N 2.95Å
366	L	72.9	Confident	66.5	Low	9 Å²	9	66.4 Å²	66.4	5%	0.047	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-45.5	171	175.3	63.2	0	0	0	111.2	T352 C353 F360 Q362 F363 T368 H369 K370	T352-L366 WeakPolarHBondContact O-CD2 3.26Å; C353-L366 HydrophobicContact CB-CD1 3.6Å; F360-L366 HydrophobicContact CB-CB 4.31Å; F360-L366 HydrophobicContact CD2-CB 3.91Å; F360-L366 HydrophobicContact CD2-CD1 3.76Å; F360-L366 HydrophobicContact CD2-CG 4.45Å; F360-L366 HydrophobicContact CE2-CD1 3.98Å; F360-L366 HydrophobicContact CG-CB 4.29Å; Q362-L366 PolarHBondContact O-N 3.24Å; F363-L366 CarbonylContact O-C 3.57Å; F363-L366 WeakPolarHBondContact O-CA 3.29Å; F363-L366 WeakPolarHBondContact O-CB 3.48Å; F363-L366 PolarHBondContact O-N 3.29Å; L366-T368 VanDerWaalsContact C-N 3.29Å; L366-T368 PolarHBondContact O-N 3.29Å; L366-H369 CarbonylContact O-C 3.56Å; L366-H369 WeakPolarHBondContact O-CA 3.27Å; L366-H369 WeakPolarHBondContact O-CB 3.38Å; L366-H369 PolarHBondContact O-N 3.15Å; L366-K370 HydrophobicContact CD1-CG 4.04Å; L366-K370 HydrophobicContact CG-CD 4.47Å; L366-K370 HydrophobicContact CG-CG 4.33Å; L366-K370 WeakPolarHBondContact O-CG 3.46Å; L366-K370 PolarHBondContact O-N 3.38Å
367	T	67.8	Low	65.8	Low	51 Å²	51	69.6 Å²	69.6	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-39.6	176.5	-47.7	0	0	0	0	111.7	F363 H369 R371	F363-T367 WeakPolarHBondContact CE1-OG1 3.45Å; F363-T367 PolarHBondContact O-N 3.49Å; F363-T367 PolarHBondContact O-OG1 2.68Å; T367-H369 VanDerWaalsContact C-N 3.33Å; T367-R371 WeakPolarHBondContact O-CG 3.37Å
368	T	63.3	Low	65.3	Low	28 Å²	28	73.7 Å²	73.7	17%	0.172	37%	0.374	C	S	.	.	H	α-helix	trans	-72.6	-27.4	174.4	52.7	0	0	0	0	113.7	S364 N365 L366 R390	S364-T368 WeakPolarHBondContact O-CG2 3.43Å; S364-T368 PolarHBondContact O-N 3.46Å; S364-T368 VanDerWaalsContact O-N 3.1Å; S364-T368 PolarHBondContact O-OG1 3.25Å; N365-T368 WeakPolarHBondContact CA-OG1 3.35Å; N365-T368 PolarHBondContact O-N 2.93Å; N365-T368 PolarHBondContact O-OG1 3.39Å; L366-T368 VanDerWaalsContact C-N 3.29Å; L366-T368 PolarHBondContact O-N 3.29Å; T368-R390 HydrophobicContact CG2-CG 4.34Å
369	H	69.6	Low	65.1	Low	16 Å²	16	72 Å²	72	7%	0.074	37%	0.365	C	S	.	.	H	α-helix	trans	-76.6	-40.1	177.4	174.8	71.5	0	0	0	112.3	C353 C356 F360 N365 L366 T367 R371 I372 H373	C353-H369 VanDerWaalsContact SG-CD2 3.51Å; C356-H369 PolarHBondContact SG-NE2 3.11Å; F360-H369 HydrophobicContact CE1-CB 3.96Å; F360-H369 HydrophobicContact CE2-CB 3.71Å; F360-H369 AromaticContact CE2-CD2 3.34Å; F360-H369 WeakPolarHBondContact CE2-CD2 3.37Å; F360-H369 AromaticContact CE2-CG 3.44Å; F360-H369 VanDerWaalsContact CE2-CG 3.44Å; F360-H369 HydrophobicContact CZ-CB 3.39Å; F360-H369 AromaticContact CZ-CD2 3.47Å; F360-H369 VanDerWaalsContact CZ-CD2 3.47Å; F360-H369 WeakPolarHBondContact CZ-CD2 3.39Å; F360-H369 AromaticContact CZ-CE1 3.99Å; F360-H369 AromaticContact CZ-CG 3.11Å; F360-H369 AromaticContact CZ-ND1 3.47Å; F360-H369 WeakPolarHBondContact CZ-ND1 3.47Å; F360-H369 AromaticContact CZ-NE2 3.98Å; N365-H369 VanDerWaalsContact O-CB 3.32Å; N365-H369 WeakPolarHBondContact O-CB 3.45Å; N365-H369 PolarHBondContact O-N 2.95Å; L366-H369 CarbonylContact O-C 3.56Å; L366-H369 WeakPolarHBondContact O-CA 3.27Å; L366-H369 WeakPolarHBondContact O-CB 3.38Å; L366-H369 PolarHBondContact O-N 3.15Å; T367-H369 VanDerWaalsContact C-N 3.33Å; H369-R371 PolarHBondContact O-N 2.89Å; H369-R371 VanDerWaalsContact O-N 3.13Å; H369-I372 WeakPolarHBondContact O-CB 3.45Å; H369-I372 WeakPolarHBondContact O-CG1 3.48Å; H369-I372 PolarHBondContact O-N 3.13Å; H369-H373 AromaticContact CD2-NE2 3.77Å; H369-H373 AromaticContact CE1-NE2 3.78Å; H369-H373 AromaticContact NE2-CE1 3.76Å; H369-H373 AromaticContact NE2-NE2 3.1Å; H369-H373 PolarHBondContact NE2-NE2 3.49Å
370	K	64.4	Low	64.1	Low	74 Å²	74	76.7 Å²	76.7	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-57.5	-27.4	175.5	-73.2	-167.5	174	-162.6	0	112.6	L366 I372 H373 T374	L366-K370 HydrophobicContact CD1-CG 4.04Å; L366-K370 HydrophobicContact CG-CD 4.47Å; L366-K370 HydrophobicContact CG-CG 4.33Å; L366-K370 WeakPolarHBondContact O-CG 3.46Å; L366-K370 PolarHBondContact O-N 3.38Å; K370-I372 PolarHBondContact O-N 3.38Å; K370-I372 VanDerWaalsContact O-N 3.15Å; K370-H373 PolarHBondContact O-N 3.44Å; K370-H373 VanDerWaalsContact O-N 3.13Å; K370-T374 PolarHBondContact O-N 2.87Å
371	R	66.9	Low	63.4	Low	101 Å²	101	74.8 Å²	74.8	38%	0.381	37%	0.37	S	S	.	.	H	α-helix	trans	-65.6	-10.8	172.9	-61.7	173.4	-173.7	-168.8	-5.3	114.5	T367 H369 S389	T367-R371 WeakPolarHBondContact O-CG 3.37Å; H369-R371 PolarHBondContact O-N 2.89Å; H369-R371 VanDerWaalsContact O-N 3.13Å; R371-S389 PolarHBondContact NH1-O 2.88Å
372	I	59.7	Low	62.9	Low	109 Å²	109	78.4 Å²	78.4	56%	0.559	40%	0.395	S	S	*	.	H	α-helix	trans	-79.6	-34.2	174.5	-60	176.2	0	0	0	110.1	H369 K370	H369-I372 WeakPolarHBondContact O-CB 3.45Å; H369-I372 WeakPolarHBondContact O-CG1 3.48Å; H369-I372 PolarHBondContact O-N 3.13Å; K370-I372 PolarHBondContact O-N 3.38Å; K370-I372 VanDerWaalsContact O-N 3.15Å
373	H	58.3	Low	62.1	Low	60 Å²	60	80.9 Å²	80.9	28%	0.278	41%	0.406	S	S	.	.	H	α-helix	trans	-87.4	-32.5	-174.3	-51.7	-55.5	0	0	0	113.4	C353 E355 C356 H369 K370 A375	C353-H373 PolarHBondContact SG-CD2 2.9Å; C353-H373 PolarHBondContact SG-NE2 3.05Å; E355-H373 HydrophobicContact CB-CB 4.47Å; E355-H373 WeakPolarHBondContact OE2-CB 3.24Å; E355-H373 IonicContact OE2-CD2 3.12Å; E355-H373 IonicContact OE2-CG 3.21Å; C356-H373 VanDerWaalsContact CB-CE1 3.41Å; C356-H373 WeakPolarHBondContact CB-CE1 2.97Å; C356-H373 VanDerWaalsContact SG-CE1 3.5Å; C356-H373 PolarHBondContact SG-NE2 3Å; H369-H373 AromaticContact CD2-NE2 3.77Å; H369-H373 AromaticContact CE1-NE2 3.78Å; H369-H373 AromaticContact NE2-CE1 3.76Å; H369-H373 AromaticContact NE2-NE2 3.1Å; H369-H373 PolarHBondContact NE2-NE2 3.49Å; K370-H373 PolarHBondContact O-N 3.44Å; K370-H373 VanDerWaalsContact O-N 3.13Å; H373-A375 PolarHBondContact O-N 3.2Å; H373-A375 VanDerWaalsContact O-N 3.16Å
374	T	55.5	Low	61.7	Low	78 Å²	78	77.4 Å²	77.4	48%	0.479	40%	0.398	S	S	.	.	S	Bend	trans	-75.2	2.4	177.6	53.3	0	0	0	0	114.6	K370 E376	K370-T374 PolarHBondContact O-N 2.87Å; T374-E376 PolarHBondContact O-N 3.3Å
375	A	51.2	Low	61.1	Low	85 Å²	85	77.3 Å²	77.3	70%	0.702	41%	0.405	S	S	*	.			trans	50.6	3.4	-176.4	0	0	0	0	0	116.8	H373 K377	H373-A375 PolarHBondContact O-N 3.2Å; H373-A375 VanDerWaalsContact O-N 3.16Å; A375-K377 VanDerWaalsContact C-N 3.33Å; A375-K377 PolarHBondContact O-N 3.31Å
376	E	55.8	Low	60.2	Low	116 Å²	116	80.3 Å²	80.3	54%	0.542	42%	0.418	S	S	.	.			trans	-80.2	76	173.9	-71.3	-172	151.8	0	0	111	T374 F378	T374-E376 PolarHBondContact O-N 3.3Å; E376-F378 HydrophobicContact CB-CD2 4.15Å; E376-F378 HydrophobicContact CB-CE2 3.51Å; E376-F378 HydrophobicContact CB-CZ 3.73Å; E376-F378 VanDerWaalsContact CD-CZ 3.49Å; E376-F378 HydrophobicContact CG-CE2 4.26Å; E376-F378 HydrophobicContact CG-CZ 4.01Å; E376-F378 WeakPolarHBondContact O-CD2 2.84Å; E376-F378 PolarHBondContact O-N 2.94Å; E376-F378 WeakPolarHBondContact OE2-CE2 2.79Å; E376-F378 VanDerWaalsContact OE2-CZ 3.26Å; E376-F378 WeakPolarHBondContact OE2-CZ 3.17Å
377	K	53.3	Low	59.4	Low	119 Å²	119	81.3 Å²	81.3	52%	0.517	43%	0.428	S	S	.	.			trans	-79.8	97.4	166	-59.9	-177.7	-175.7	174.5	0	109.5	A375 A387	A375-K377 VanDerWaalsContact C-N 3.33Å; A375-K377 PolarHBondContact O-N 3.31Å; K377-A387 HydrophobicContact CB-CB 3.65Å; K377-A387 HydrophobicContact CD-CB 3.46Å; K377-A387 VanDerWaalsContact CD-CB 3.46Å; K377-A387 HydrophobicContact CG-CB 4.21Å
378	F	55.2	Low	59.4	Low	146 Å²	146	80.7 Å²	80.7	64%	0.64	42%	0.421	S	S	*	.			trans	-78.9	-22.6	-174.7	-72.8	-71	0	0	0	115.8	E376 K380	E376-F378 HydrophobicContact CB-CD2 4.15Å; E376-F378 HydrophobicContact CB-CE2 3.51Å; E376-F378 HydrophobicContact CB-CZ 3.73Å; E376-F378 VanDerWaalsContact CD-CZ 3.49Å; E376-F378 HydrophobicContact CG-CE2 4.26Å; E376-F378 HydrophobicContact CG-CZ 4.01Å; E376-F378 WeakPolarHBondContact O-CD2 2.84Å; E376-F378 PolarHBondContact O-N 2.94Å; E376-F378 WeakPolarHBondContact OE2-CE2 2.79Å; E376-F378 VanDerWaalsContact OE2-CZ 3.26Å; E376-F378 WeakPolarHBondContact OE2-CZ 3.17Å; F378-K380 PolarHBondContact O-N 3.08Å
379	Y	61.8	Low	59.1	Low	89 Å²	89	82 Å²	82	35%	0.349	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	74.5	-176	-58.1	-67.1	0	0	0	110.5	F388 S391 L394	Y379-F388 WeakPolarHBondContact O-CD2 3.32Å; Y379-F388 PolarHBondContact O-N 3.27Å; Y379-S391 VanDerWaalsContact CD2-N 3.31Å; Y379-L394 HydrophobicContact CD1-CD2 4.37Å; Y379-L394 HydrophobicContact CG-CD2 4.43Å
380	K	53.9	Low	58.8	Low	135 Å²	135	86 Å²	86	59%	0.587	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.4	173.7	-62.3	-175.2	-179.3	179.6	0	110	F378 E386 A387	F378-K380 PolarHBondContact O-N 3.08Å; K380-E386 CarbonylContact C-O 3.33Å; K380-E386 WeakPolarHBondContact CA-O 3.48Å; K380-A387 HydrophobicContact CG-CB 3.86Å
381	C	64.1	Low	58.6	Low	2 Å²	2	85.1 Å²	85.1	1%	0.014	45%	0.449	C	S	.	.			trans	-71.7	125.3	165.4	-177	0	0	0	0	108.4	E383 G385 E386 F388 L394 H397 H401	C381-E383 PolarHBondContact O-N 3.48Å; C381-E383 PolarHBondContact SG-N 3.47Å; C381-G385 VanDerWaalsContact O-CA 3.25Å; C381-G385 WeakPolarHBondContact O-CA 3.5Å; C381-G385 PolarHBondContact O-N 3.11Å; C381-E386 PolarHBondContact N-O 3.18Å; C381-F388 HydrophobicContact CB-CE2 4.46Å; C381-L394 HydrophobicContact CB-CD1 3.78Å; C381-H397 WeakPolarHBondContact CB-NE2 3.29Å; C381-H401 PolarHBondContact SG-CD2 3.24Å; C381-H401 PolarHBondContact SG-NE2 3.07Å
382	T	60.3	Low	58.7	Low	124 Å²	124	83 Å²	83	76%	0.761	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.3	179.2	45.2	0	0	0	0	112.8
383	E	58.4	Low	59	Low	122 Å²	122	80.6 Å²	80.6	57%	0.57	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-35.4	-175	-67.9	159.5	159.8	0	0	113.1	C381 H401	C381-E383 PolarHBondContact O-N 3.48Å; C381-E383 PolarHBondContact SG-N 3.47Å; E383-H401 HydrophobicContact CB-CB 4.39Å; E383-H401 WeakPolarHBondContact OE2-CB 3.4Å; E383-H401 IonicContact OE2-CD2 3.5Å; E383-H401 PolarHBondContact OE2-CD2 3.1Å; E383-H401 VanDerWaalsContact OE2-CD2 3.24Å; E383-H401 IonicContact OE2-CG 2.66Å; E383-H401 VanDerWaalsContact OE2-CG 3.26Å
384	C	60.8	Low	59.5	Low	59 Å²	59	78.5 Å²	78.5	40%	0.399	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	1.8	-179.8	72.9	0	0	0	0	114.9	E386 H397 H401	C384-E386 PolarHBondContact O-N 3.23Å; C384-E386 VanDerWaalsContact O-N 3.08Å; C384-E386 PolarHBondContact SG-N 3.07Å; C384-H397 VanDerWaalsContact SG-CE1 3.51Å; C384-H397 PolarHBondContact SG-NE2 2.85Å; C384-H401 WeakPolarHBondContact CB-CE1 3.39Å; C384-H401 PolarHBondContact SG-CE1 3.16Å; C384-H401 PolarHBondContact SG-NE2 3.17Å
385	G	56.3	Low	60	Low	54 Å²	54	78.7 Å²	78.7	56%	0.557	43%	0.43	S	S	*	.			trans	71.7	-3.7	-179.8	0	0	0	0	0	115.6	C381	C381-G385 VanDerWaalsContact O-CA 3.25Å; C381-G385 WeakPolarHBondContact O-CA 3.5Å; C381-G385 PolarHBondContact O-N 3.11Å
386	E	55.8	Low	60.6	Low	109 Å²	109	80.8 Å²	80.8	51%	0.509	42%	0.423	S	S	.	.			trans	-65.7	136.9	179	-75.1	-156.6	149.5	0	0	112.1	K380 C381 C384 F388 H397	K380-E386 CarbonylContact C-O 3.33Å; K380-E386 WeakPolarHBondContact CA-O 3.48Å; C381-E386 PolarHBondContact N-O 3.18Å; C384-E386 PolarHBondContact O-N 3.23Å; C384-E386 VanDerWaalsContact O-N 3.08Å; C384-E386 PolarHBondContact SG-N 3.07Å; E386-F388 HydrophobicContact CB-CE2 3.81Å; E386-F388 HydrophobicContact CB-CZ 3.9Å; E386-F388 WeakPolarHBondContact O-CE2 3.49Å; E386-H397 IonicContact OE2-CE1 3.06Å; E386-H397 PolarHBondContact OE2-CE1 2.61Å; E386-H397 IonicContact OE2-ND1 3.82Å; E386-H397 PolarHBondContact OE2-ND1 3.35Å; E386-H397 IonicContact OE2-NE2 3.26Å
387	A	56.1	Low	61.2	Low	31 Å²	31	75.9 Å²	75.9	26%	0.256	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.6	-168.8	0	0	0	0	0	111.8	K377 K380	K377-A387 HydrophobicContact CB-CB 3.65Å; K377-A387 HydrophobicContact CD-CB 3.46Å; K377-A387 VanDerWaalsContact CD-CB 3.46Å; K377-A387 HydrophobicContact CG-CB 4.21Å; K380-A387 HydrophobicContact CG-CB 3.86Å
388	F	67.5	Low	61.6	Low	38 Å²	38	74.4 Å²	74.4	17%	0.167	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.9	-172.8	-60.8	-87.8	0	0	0	112.5	Y379 C381 E386 N393 L394 H397	Y379-F388 WeakPolarHBondContact O-CD2 3.32Å; Y379-F388 PolarHBondContact O-N 3.27Å; C381-F388 HydrophobicContact CB-CE2 4.46Å; E386-F388 HydrophobicContact CB-CE2 3.81Å; E386-F388 HydrophobicContact CB-CZ 3.9Å; E386-F388 WeakPolarHBondContact O-CE2 3.49Å; F388-N393 HydrophobicContact CB-CB 4.32Å; F388-N393 HydrophobicContact CD1-CB 3.95Å; F388-N393 HydrophobicContact CG-CB 4.42Å; F388-L394 HydrophobicContact CB-CB 4.09Å; F388-L394 HydrophobicContact CD2-CB 3.85Å; F388-L394 HydrophobicContact CD2-CD1 3.62Å; F388-L394 HydrophobicContact CD2-CG 4.34Å; F388-L394 HydrophobicContact CE2-CD1 3.96Å; F388-L394 HydrophobicContact CG-CB 4.1Å; F388-H397 HydrophobicContact CD1-CB 4.49Å; F388-H397 HydrophobicContact CD2-CB 4.47Å; F388-H397 HydrophobicContact CE1-CB 3.77Å; F388-H397 AromaticContact CE1-CG 3.91Å; F388-H397 HydrophobicContact CE2-CB 3.76Å; F388-H397 AromaticContact CE2-CD2 3.28Å; F388-H397 WeakPolarHBondContact CE2-CD2 3.37Å; F388-H397 AromaticContact CE2-CE1 3.94Å; F388-H397 AromaticContact CE2-CG 3.36Å; F388-H397 AromaticContact CE2-ND1 3.8Å; F388-H397 AromaticContact CE2-NE2 3.64Å; F388-H397 HydrophobicContact CZ-CB 3.42Å; F388-H397 VanDerWaalsContact CZ-CB 3.42Å; F388-H397 AromaticContact CZ-CD2 3.5Å; F388-H397 VanDerWaalsContact CZ-CD2 3.5Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.07Å; F388-H397 AromaticContact CZ-CE1 3.58Å; F388-H397 AromaticContact CZ-CG 3.06Å; F388-H397 AromaticContact CZ-ND1 3.15Å; F388-H397 WeakPolarHBondContact CZ-ND1 3.46Å; F388-H397 AromaticContact CZ-NE2 3.77Å
389	S	56.3	Low	62.1	Low	55 Å²	55	72.8 Å²	72.8	39%	0.385	39%	0.386	S	S	.	.	S	Bend	trans	-80.3	-16.2	178.2	57.3	0	0	0	0	114.2	R371	R371-S389 PolarHBondContact NH1-O 2.88Å
390	R	62.9	Low	62	Low	99 Å²	99	73.3 Å²	73.3	37%	0.374	39%	0.394	S	S	.	.	S	Bend	trans	-133.8	138.8	177.8	-74.1	-178.1	166	162.5	2.4	110.5	T368 S392 N393 L394	T368-R390 HydrophobicContact CG2-CG 4.34Å; R390-S392 VanDerWaalsContact C-N 3.3Å; R390-S392 PolarHBondContact O-N 3.17Å; R390-N393 HydrophobicContact CB-CB 4.42Å; R390-N393 WeakPolarHBondContact O-CB 3.45Å; R390-N393 PolarHBondContact O-N 3.03Å; R390-N393 VanDerWaalsContact O-N 3.1Å; R390-L394 PolarHBondContact O-N 3.04Å
391	S	61.3	Low	62.1	Low	57 Å²	57	69.5 Å²	69.5	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-58.8	-39.7	176	54.6	0	0	0	0	112.2	Y379 N393 L394 T395	Y379-S391 VanDerWaalsContact CD2-N 3.31Å; S391-N393 PolarHBondContact O-N 3.25Å; S391-L394 CarbonylContact O-C 3.6Å; S391-L394 WeakPolarHBondContact O-CB 2.83Å; S391-L394 PolarHBondContact O-N 2.96Å; S391-L394 VanDerWaalsContact O-N 3.12Å; S391-T395 PolarHBondContact O-N 3.23Å; S391-T395 PolarHBondContact O-OG1 3.11Å
392	S	67.3	Low	61.6	Low	57 Å²	57	73 Å²	73	40%	0.399	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-30.2	176.9	57.2	0	0	0	0	113.5	R390 K396	R390-S392 VanDerWaalsContact C-N 3.3Å; R390-S392 PolarHBondContact O-N 3.17Å; S392-K396 VanDerWaalsContact O-CG 3.3Å; S392-K396 WeakPolarHBondContact O-CG 3.5Å; S392-K396 PolarHBondContact O-N 3.31Å; S392-K396 VanDerWaalsContact O-N 3.11Å
393	N	67.7	Low	61.3	Low	58 Å²	58	75.8 Å²	75.8	31%	0.31	40%	0.404	S	S	.	.	H	α-helix	trans	-76.9	-40.7	175.1	-68.5	-14.4	0	0	0	111	F388 R390 S391 T395 K396 H397	F388-N393 HydrophobicContact CB-CB 4.32Å; F388-N393 HydrophobicContact CD1-CB 3.95Å; F388-N393 HydrophobicContact CG-CB 4.42Å; R390-N393 HydrophobicContact CB-CB 4.42Å; R390-N393 WeakPolarHBondContact O-CB 3.45Å; R390-N393 PolarHBondContact O-N 3.03Å; R390-N393 VanDerWaalsContact O-N 3.1Å; S391-N393 PolarHBondContact O-N 3.25Å; N393-T395 VanDerWaalsContact C-N 3.32Å; N393-T395 PolarHBondContact O-N 2.97Å; N393-K396 PolarHBondContact O-N 2.93Å; N393-H397 VanDerWaalsContact O-CB 3.27Å; N393-H397 WeakPolarHBondContact O-CB 3.49Å; N393-H397 PolarHBondContact O-N 3.45Å
394	L	67.8	Low	61	Low	16 Å²	16	78.2 Å²	78.2	8%	0.084	41%	0.413	C	S	.	.	H	α-helix	trans	-59.8	-42.6	170.1	175.3	64.7	0	0	0	110.9	Y379 C381 F388 R390 S391 K396 H397 K398	Y379-L394 HydrophobicContact CD1-CD2 4.37Å; Y379-L394 HydrophobicContact CG-CD2 4.43Å; C381-L394 HydrophobicContact CB-CD1 3.78Å; F388-L394 HydrophobicContact CB-CB 4.09Å; F388-L394 HydrophobicContact CD2-CB 3.85Å; F388-L394 HydrophobicContact CD2-CD1 3.62Å; F388-L394 HydrophobicContact CD2-CG 4.34Å; F388-L394 HydrophobicContact CE2-CD1 3.96Å; F388-L394 HydrophobicContact CG-CB 4.1Å; R390-L394 PolarHBondContact O-N 3.04Å; S391-L394 CarbonylContact O-C 3.6Å; S391-L394 WeakPolarHBondContact O-CB 2.83Å; S391-L394 PolarHBondContact O-N 2.96Å; S391-L394 VanDerWaalsContact O-N 3.12Å; L394-K396 VanDerWaalsContact C-N 3.33Å; L394-K396 PolarHBondContact O-N 2.54Å; L394-H397 CarbonylContact O-C 3.6Å; L394-H397 PolarHBondContact O-N 3.34Å; L394-H397 VanDerWaalsContact O-N 3.16Å; L394-K398 HydrophobicContact CD1-CD 4.47Å; L394-K398 HydrophobicContact CD1-CG 3.98Å; L394-K398 HydrophobicContact CG-CD 4.33Å; L394-K398 HydrophobicContact CG-CG 4.21Å; L394-K398 WeakPolarHBondContact O-CB 3.45Å; L394-K398 WeakPolarHBondContact O-CG 3.45Å; L394-K398 PolarHBondContact O-N 2.91Å
395	T	65.6	Low	61	Low	82 Å²	82	81.1 Å²	81.1	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-39.2	176.4	-52.5	0	0	0	0	111.9	S391 N393 K399	S391-T395 PolarHBondContact O-N 3.23Å; S391-T395 PolarHBondContact O-OG1 3.11Å; N393-T395 VanDerWaalsContact C-N 3.32Å; N393-T395 PolarHBondContact O-N 2.97Å; T395-K399 WeakPolarHBondContact O-CG 3.45Å
396	K	65.3	Low	61.5	Low	129 Å²	129	82.7 Å²	82.7	56%	0.561	42%	0.419	S	S	*	.	H	α-helix	trans	-68.8	-35.8	174	-73	172.5	-177.7	-178.2	0	112.5	S392 N393 L394 K417	S392-K396 VanDerWaalsContact O-CG 3.3Å; S392-K396 WeakPolarHBondContact O-CG 3.5Å; S392-K396 PolarHBondContact O-N 3.31Å; S392-K396 VanDerWaalsContact O-N 3.11Å; N393-K396 PolarHBondContact O-N 2.93Å; L394-K396 VanDerWaalsContact C-N 3.33Å; L394-K396 PolarHBondContact O-N 2.54Å; K396-K417 PolarHBondContact O-NZ 3.47Å
397	H	67.3	Low	62.1	Low	12 Å²	12	82 Å²	82	6%	0.056	41%	0.412	C	S	.	.	H	α-helix	trans	-73.7	-39.4	178.2	169.3	90.3	0	0	0	112.4	C381 C384 E386 F388 N393 L394 K399 I400 H401	C381-H397 WeakPolarHBondContact CB-NE2 3.29Å; C384-H397 VanDerWaalsContact SG-CE1 3.51Å; C384-H397 PolarHBondContact SG-NE2 2.85Å; E386-H397 IonicContact OE2-CE1 3.06Å; E386-H397 PolarHBondContact OE2-CE1 2.61Å; E386-H397 IonicContact OE2-ND1 3.82Å; E386-H397 PolarHBondContact OE2-ND1 3.35Å; E386-H397 IonicContact OE2-NE2 3.26Å; F388-H397 HydrophobicContact CD1-CB 4.49Å; F388-H397 HydrophobicContact CD2-CB 4.47Å; F388-H397 HydrophobicContact CE1-CB 3.77Å; F388-H397 AromaticContact CE1-CG 3.91Å; F388-H397 HydrophobicContact CE2-CB 3.76Å; F388-H397 AromaticContact CE2-CD2 3.28Å; F388-H397 WeakPolarHBondContact CE2-CD2 3.37Å; F388-H397 AromaticContact CE2-CE1 3.94Å; F388-H397 AromaticContact CE2-CG 3.36Å; F388-H397 AromaticContact CE2-ND1 3.8Å; F388-H397 AromaticContact CE2-NE2 3.64Å; F388-H397 HydrophobicContact CZ-CB 3.42Å; F388-H397 VanDerWaalsContact CZ-CB 3.42Å; F388-H397 AromaticContact CZ-CD2 3.5Å; F388-H397 VanDerWaalsContact CZ-CD2 3.5Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.07Å; F388-H397 AromaticContact CZ-CE1 3.58Å; F388-H397 AromaticContact CZ-CG 3.06Å; F388-H397 AromaticContact CZ-ND1 3.15Å; F388-H397 WeakPolarHBondContact CZ-ND1 3.46Å; F388-H397 AromaticContact CZ-NE2 3.77Å; N393-H397 VanDerWaalsContact O-CB 3.27Å; N393-H397 WeakPolarHBondContact O-CB 3.49Å; N393-H397 PolarHBondContact O-N 3.45Å; L394-H397 CarbonylContact O-C 3.6Å; L394-H397 PolarHBondContact O-N 3.34Å; L394-H397 VanDerWaalsContact O-N 3.16Å; H397-K399 PolarHBondContact O-N 3.27Å; H397-K399 VanDerWaalsContact O-N 3.14Å; H397-I400 WeakPolarHBondContact O-CA 3.46Å; H397-I400 WeakPolarHBondContact O-CB 3.48Å; H397-I400 WeakPolarHBondContact O-CG1 3.48Å; H397-I400 PolarHBondContact O-N 3.45Å; H397-H401 AromaticContact CD2-NE2 3.59Å; H397-H401 AromaticContact CE1-NE2 3.48Å; H397-H401 PolarHBondContact CE1-NE2 3.35Å; H397-H401 AromaticContact NE2-CD2 3.77Å; H397-H401 AromaticContact NE2-CE1 3.79Å; H397-H401 AromaticContact NE2-NE2 2.87Å; H397-H401 PolarHBondContact NE2-NE2 2.83Å
398	K	62.2	Low	62.5	Low	89 Å²	89	86.9 Å²	86.9	39%	0.387	43%	0.428	S	S	.	.	H	α-helix	trans	-57.4	-29.4	173.9	-77.6	-171.4	172.8	-162.6	0	112.6	L394 I400 H401 T402	L394-K398 HydrophobicContact CD1-CD 4.47Å; L394-K398 HydrophobicContact CD1-CG 3.98Å; L394-K398 HydrophobicContact CG-CD 4.33Å; L394-K398 HydrophobicContact CG-CG 4.21Å; L394-K398 WeakPolarHBondContact O-CB 3.45Å; L394-K398 WeakPolarHBondContact O-CG 3.45Å; L394-K398 PolarHBondContact O-N 2.91Å; K398-I400 PolarHBondContact O-N 3.43Å; K398-I400 VanDerWaalsContact O-N 3.14Å; K398-H401 PolarHBondContact O-N 3.15Å; K398-T402 PolarHBondContact O-N 3.43Å
399	K	65.1	Low	62.7	Low	112 Å²	112	85.1 Å²	85.1	49%	0.487	42%	0.42	S	S	.	.	H	α-helix	trans	-65.3	-9.7	170.5	-61.1	180	-179.4	-167.3	0	113.7	T395 H397 T402 K417	T395-K399 WeakPolarHBondContact O-CG 3.45Å; H397-K399 PolarHBondContact O-N 3.27Å; H397-K399 VanDerWaalsContact O-N 3.14Å; K399-T402 WeakPolarHBondContact CA-OG1 3.2Å; K399-T402 PolarHBondContact O-OG1 3.21Å; K399-K417 VanDerWaalsContact CB-CE 3.47Å; K399-K417 WeakPolarHBondContact O-CD 3.26Å; K399-K417 WeakPolarHBondContact O-CE 3.42Å; K399-K417 PolarHBondContact O-NZ 3.28Å
400	I	59.3	Low	63.4	Low	99 Å²	99	90.3 Å²	90.3	51%	0.508	44%	0.438	S	S	.	.	H	α-helix	trans	-78.4	-42	175.6	-59.1	175.8	0	0	0	108.9	H397 K398	H397-I400 WeakPolarHBondContact O-CA 3.46Å; H397-I400 WeakPolarHBondContact O-CB 3.48Å; H397-I400 WeakPolarHBondContact O-CG1 3.48Å; H397-I400 PolarHBondContact O-N 3.45Å; K398-I400 PolarHBondContact O-N 3.43Å; K398-I400 VanDerWaalsContact O-N 3.14Å
401	H	57.2	Low	63.4	Low	55 Å²	55	91.7 Å²	91.7	26%	0.255	45%	0.449	S	S	.	.	H	α-helix	trans	-78.8	-29	-175.1	-59.1	-48.4	0	0	0	113.6	C381 E383 C384 H397 K398 E403	C381-H401 PolarHBondContact SG-CD2 3.24Å; C381-H401 PolarHBondContact SG-NE2 3.07Å; E383-H401 HydrophobicContact CB-CB 4.39Å; E383-H401 WeakPolarHBondContact OE2-CB 3.4Å; E383-H401 IonicContact OE2-CD2 3.5Å; E383-H401 PolarHBondContact OE2-CD2 3.1Å; E383-H401 VanDerWaalsContact OE2-CD2 3.24Å; E383-H401 IonicContact OE2-CG 2.66Å; E383-H401 VanDerWaalsContact OE2-CG 3.26Å; C384-H401 WeakPolarHBondContact CB-CE1 3.39Å; C384-H401 PolarHBondContact SG-CE1 3.16Å; C384-H401 PolarHBondContact SG-NE2 3.17Å; H397-H401 AromaticContact CD2-NE2 3.59Å; H397-H401 AromaticContact CE1-NE2 3.48Å; H397-H401 PolarHBondContact CE1-NE2 3.35Å; H397-H401 AromaticContact NE2-CD2 3.77Å; H397-H401 AromaticContact NE2-CE1 3.79Å; H397-H401 AromaticContact NE2-NE2 2.87Å; H397-H401 PolarHBondContact NE2-NE2 2.83Å; K398-H401 PolarHBondContact O-N 3.15Å; H401-E403 PolarHBondContact O-N 3.37Å
402	T	54.2	Low	63.7	Low	75 Å²	75	91.4 Å²	91.4	46%	0.46	45%	0.446	S	S	.	.	S	Bend	trans	-70.7	96.9	164.1	56.1	0	0	0	0	108.1	K398 K399 K404	K398-T402 PolarHBondContact O-N 3.43Å; K399-T402 WeakPolarHBondContact CA-OG1 3.2Å; K399-T402 PolarHBondContact O-OG1 3.21Å; T402-K404 PolarHBondContact O-N 2.9Å
403	E	52.3	Low	63.4	Low	184 Å²	184	91.4 Å²	91.4	86%	0.86	46%	0.455	S	S	*	.			trans	-56.6	-3.1	176.8	-68.3	-171.3	150.2	0	0	114.6	H401 K405	H401-E403 PolarHBondContact O-N 3.37Å; E403-K405 PolarHBondContact O-N 2.85Å
404	K	53.8	Low	63.2	Low	173 Å²	173	94.6 Å²	94.6	75%	0.752	47%	0.466	S	S	*	.			trans	-65	95.3	168.3	-64.7	-170.9	179.2	-175.8	0	109.4	T402 P406	T402-K404 PolarHBondContact O-N 2.9Å; K404-P406 WeakPolarHBondContact O-CD 3.2Å; K404-P406 WeakPolarHBondContact O-CG 3.32Å
405	K	60.5	Low	63.2	Low	120 Å²	120	95 Å²	95	52%	0.522	47%	0.472	S	S	.	.			trans	-73.7	89.5	156.7	-72.3	160.7	166.6	-174.9	0	107.4	E403 Y407 A415 F416	E403-K405 PolarHBondContact O-N 2.85Å; K405-Y407 PolarHBondContact O-N 3.1Å; K405-A415 HydrophobicContact CB-CB 3.41Å; K405-A415 VanDerWaalsContact CB-CB 3.41Å; K405-A415 HydrophobicContact CD-CB 3.78Å; K405-A415 VanDerWaalsContact CD-O 3.23Å; K405-A415 WeakPolarHBondContact CD-O 3.32Å; K405-A415 HydrophobicContact CG-CB 4.2Å; K405-F416 CarbonylContact C-O 3.56Å; K405-F416 WeakPolarHBondContact CA-O 3.39Å
406	P	66.5	Low	63.6	Low	86 Å²	86	93.2 Å²	93.2	56%	0.558	46%	0.457	S	S	*	.			trans	-73.8	-16.8	-165.7	-10.1	29.4	0	0	0	111.8	K404 F416	K404-P406 WeakPolarHBondContact O-CD 3.2Å; K404-P406 WeakPolarHBondContact O-CG 3.32Å; P406-F416 WeakPolarHBondContact CD-O 3.49Å
407	Y	68.8	Low	63.5	Low	95 Å²	95	89.6 Å²	89.6	37%	0.373	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	88	-173.4	-54	-73.9	0	0	0	108.5	K405 F416 S419	K405-Y407 PolarHBondContact O-N 3.1Å; Y407-F416 PolarHBondContact N-O 2.86Å; Y407-F416 PolarHBondContact O-N 3Å; Y407-S419 VanDerWaalsContact CD2-N 3.26Å
408	K	63.9	Low	63.7	Low	134 Å²	134	94.8 Å²	94.8	58%	0.583	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	143.2	177	-61.3	-171.8	178.2	177.9	0	110.8	A415 L422	K408-A415 HydrophobicContact CG-CB 3.78Å; K408-L422 VanDerWaalsContact O-CD2 3.28Å; K408-L422 WeakPolarHBondContact O-CD2 3.4Å
409	C	72.3	Confident	63.8	Low	1 Å²	1	93.4 Å²	93.4	1%	0.007	46%	0.462	C	S	.	.			trans	-87.8	114.7	170	179.4	0	0	0	0	108.5	E411 C412 G413 K414 F416 L422 H429	C409-E411 PolarHBondContact O-N 3.31Å; C409-C412 PolarHBondContact O-N 3.08Å; C409-C412 VanDerWaalsContact SG-SG 3.63Å; C409-G413 WeakPolarHBondContact O-CA 3.5Å; C409-G413 PolarHBondContact O-N 2.94Å; C409-K414 VanDerWaalsContact CB-O 3.26Å; C409-K414 WeakPolarHBondContact CB-O 3.3Å; C409-K414 PolarHBondContact N-O 3.26Å; C409-F416 HydrophobicContact CB-CE2 4.34Å; C409-L422 HydrophobicContact CB-CD1 3.54Å; C409-H429 PolarHBondContact SG-CD2 3.06Å; C409-H429 PolarHBondContact SG-NE2 3.13Å
410	E	70.1	Confident	63.9	Low	164 Å²	164	91.5 Å²	91.5	77%	0.766	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.4	179.8	-56.8	-54.1	142.7	0	0	112.5
411	E	64	Low	64.4	Low	128 Å²	128	90.7 Å²	90.7	60%	0.598	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-23.3	-176.1	-67.5	169.7	166.1	0	0	114.7	C409 H429	C409-E411 PolarHBondContact O-N 3.31Å; E411-H429 WeakPolarHBondContact OE2-CB 3.48Å; E411-H429 IonicContact OE2-CD2 3.01Å; E411-H429 PolarHBondContact OE2-CD2 3.43Å; E411-H429 IonicContact OE2-CG 3.97Å
412	C	67.7	Low	65.1	Low	51 Å²	51	89 Å²	89	35%	0.345	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142	9.4	-178	74.6	0	0	0	0	114.6	C409 K414 H425 H429	C409-C412 PolarHBondContact O-N 3.08Å; C409-C412 VanDerWaalsContact SG-SG 3.63Å; C412-K414 PolarHBondContact O-N 3.46Å; C412-H425 PolarHBondContact SG-NE2 3.26Å; C412-H429 VanDerWaalsContact CB-CE1 3.48Å; C412-H429 WeakPolarHBondContact CB-CE1 3.4Å; C412-H429 PolarHBondContact SG-CE1 3.34Å; C412-H429 PolarHBondContact SG-NE2 2.87Å
413	G	60.8	Low	65.7	Low	56 Å²	56	89.5 Å²	89.5	58%	0.577	45%	0.452	S	S	*	.			trans	67.6	-3.5	179.9	0	0	0	0	0	115.6	C409 A415	C409-G413 WeakPolarHBondContact O-CA 3.5Å; C409-G413 PolarHBondContact O-N 2.94Å; G413-A415 PolarHBondContact O-N 2.95Å
414	K	62.1	Low	66.3	Low	125 Å²	125	83.2 Å²	83.2	54%	0.543	42%	0.422	S	S	.	.			trans	-68.1	125.1	-177.4	-73.6	177.5	-177.3	167.5	0	110.8	C409 C412 F416	C409-K414 VanDerWaalsContact CB-O 3.26Å; C409-K414 WeakPolarHBondContact CB-O 3.3Å; C409-K414 PolarHBondContact N-O 3.26Å; C412-K414 PolarHBondContact O-N 3.46Å; K414-F416 HydrophobicContact CB-CE2 3.73Å; K414-F416 HydrophobicContact CB-CZ 3.93Å; K414-F416 WeakPolarHBondContact O-CD2 3.41Å; K414-F416 WeakPolarHBondContact O-CE2 3.44Å
415	A	68.1	Low	67.1	Low	25 Å²	25	76 Å²	76	21%	0.207	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.3	-177.3	0	0	0	0	0	111.5	K405 K408 G413	K405-A415 HydrophobicContact CB-CB 3.41Å; K405-A415 VanDerWaalsContact CB-CB 3.41Å; K405-A415 HydrophobicContact CD-CB 3.78Å; K405-A415 VanDerWaalsContact CD-O 3.23Å; K405-A415 WeakPolarHBondContact CD-O 3.32Å; K405-A415 HydrophobicContact CG-CB 4.2Å; K408-A415 HydrophobicContact CG-CB 3.78Å; G413-A415 PolarHBondContact O-N 2.95Å
416	F	73.8	Confident	67.3	Low	44 Å²	44	74.8 Å²	74.8	19%	0.193	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.4	-176.8	-60.4	-91.6	0	0	0	110.8	K405 P406 Y407 C409 K414 K421 L422 H425	K405-F416 CarbonylContact C-O 3.56Å; K405-F416 WeakPolarHBondContact CA-O 3.39Å; P406-F416 WeakPolarHBondContact CD-O 3.49Å; Y407-F416 PolarHBondContact N-O 2.86Å; Y407-F416 PolarHBondContact O-N 3Å; C409-F416 HydrophobicContact CB-CE2 4.34Å; K414-F416 HydrophobicContact CB-CE2 3.73Å; K414-F416 HydrophobicContact CB-CZ 3.93Å; K414-F416 WeakPolarHBondContact O-CD2 3.41Å; K414-F416 WeakPolarHBondContact O-CE2 3.44Å; F416-K421 HydrophobicContact CB-CB 4.27Å; F416-K421 HydrophobicContact CD1-CB 4.05Å; F416-K421 HydrophobicContact CG-CB 4.45Å; F416-L422 HydrophobicContact CB-CB 4.13Å; F416-L422 HydrophobicContact CD2-CB 3.99Å; F416-L422 HydrophobicContact CD2-CD1 3.68Å; F416-L422 HydrophobicContact CD2-CG 4.46Å; F416-L422 HydrophobicContact CE2-CD1 4.06Å; F416-L422 HydrophobicContact CG-CB 4.25Å; F416-H425 HydrophobicContact CD2-CB 4.44Å; F416-H425 HydrophobicContact CE1-CB 3.78Å; F416-H425 AromaticContact CE1-CG 4Å; F416-H425 HydrophobicContact CE2-CB 3.69Å; F416-H425 AromaticContact CE2-CD2 3.11Å; F416-H425 WeakPolarHBondContact CE2-CD2 3.42Å; F416-H425 AromaticContact CE2-CG 3.44Å; F416-H425 VanDerWaalsContact CE2-CG 3.44Å; F416-H425 AromaticContact CE2-NE2 3.82Å; F416-H425 HydrophobicContact CZ-CB 3.32Å; F416-H425 AromaticContact CZ-CD2 3.26Å; F416-H425 WeakPolarHBondContact CZ-CD2 3.34Å; F416-H425 AromaticContact CZ-CG 3.08Å; F416-H425 AromaticContact CZ-ND1 3.66Å; F416-H425 AromaticContact CZ-NE2 3.82Å
417	K	64.1	Low	67.4	Low	54 Å²	54	72.8 Å²	72.8	24%	0.235	37%	0.37	C	S	.	.	S	Bend	trans	-78.5	-23.4	-179.2	-176.7	177.1	158.2	175.7	0	113.1	K396 K399	K396-K417 PolarHBondContact O-NZ 3.47Å; K399-K417 VanDerWaalsContact CB-CE 3.47Å; K399-K417 WeakPolarHBondContact O-CD 3.26Å; K399-K417 WeakPolarHBondContact O-CE 3.42Å; K399-K417 PolarHBondContact O-NZ 3.28Å
418	W	70.3	Confident	66.9	Low	120 Å²	120	72.2 Å²	72.2	46%	0.455	38%	0.377	S	S	.	.	S	Bend	trans	-130.8	141.1	179.9	-58	-38.6	0	0	0	110.6	S420 K421 L422	W418-S420 VanDerWaalsContact C-N 3.28Å; W418-S420 PolarHBondContact O-N 2.8Å; W418-K421 HydrophobicContact CB-CB 4.49Å; W418-K421 HydrophobicContact CB-CG 4.32Å; W418-K421 HydrophobicContact CE3-CG 3.85Å; W418-K421 WeakPolarHBondContact O-CB 3.41Å; W418-K421 PolarHBondContact O-N 3.37Å; W418-L422 PolarHBondContact O-N 3.22Å; W418-L422 VanDerWaalsContact O-N 3.12Å
419	S	64.5	Low	66.7	Low	61 Å²	61	69.2 Å²	69.2	43%	0.427	37%	0.365	S	S	.	.	H	α-helix	trans	-57.5	-40.7	177.3	54.5	0	0	0	0	111.8	Y407 K421 L422 T423	Y407-S419 VanDerWaalsContact CD2-N 3.26Å; S419-K421 PolarHBondContact O-N 3.06Å; S419-L422 CarbonylContact O-C 3.6Å; S419-L422 WeakPolarHBondContact O-CB 3.35Å; S419-L422 PolarHBondContact O-N 3.38Å; S419-L422 VanDerWaalsContact O-N 3.08Å; S419-T423 PolarHBondContact O-N 3.04Å; S419-T423 PolarHBondContact O-OG1 2.82Å
420	S	66.8	Low	66.1	Low	72 Å²	72	72.7 Å²	72.7	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-59.1	-30	176.5	64.8	0	0	0	0	113.6	W418 E424	W418-S420 VanDerWaalsContact C-N 3.28Å; W418-S420 PolarHBondContact O-N 2.8Å; S420-E424 WeakPolarHBondContact O-CB 3.39Å; S420-E424 PolarHBondContact O-N 3.29Å; S420-E424 VanDerWaalsContact O-N 3.07Å
421	K	70.3	Confident	65.6	Low	82 Å²	82	67.4 Å²	67.4	36%	0.357	38%	0.376	S	S	.	.	H	α-helix	trans	-82.7	-31.7	176.9	-68.7	-57.5	-172	179.1	0	112.5	F416 W418 S419 E424 H425	F416-K421 HydrophobicContact CB-CB 4.27Å; F416-K421 HydrophobicContact CD1-CB 4.05Å; F416-K421 HydrophobicContact CG-CB 4.45Å; W418-K421 HydrophobicContact CB-CB 4.49Å; W418-K421 HydrophobicContact CB-CG 4.32Å; W418-K421 HydrophobicContact CE3-CG 3.85Å; W418-K421 WeakPolarHBondContact O-CB 3.41Å; W418-K421 PolarHBondContact O-N 3.37Å; S419-K421 PolarHBondContact O-N 3.06Å; K421-E424 WeakPolarHBondContact CD-OE2 3.47Å; K421-E424 WeakPolarHBondContact CE-OE2 3.47Å; K421-E424 IonicContact NZ-OE1 3.77Å; K421-E424 IonicContact NZ-OE2 3.44Å; K421-E424 PolarHBondContact NZ-OE2 2.83Å; K421-H425 VanDerWaalsContact O-CB 3.29Å; K421-H425 WeakPolarHBondContact O-CB 3.32Å; K421-H425 PolarHBondContact O-N 2.86Å
422	L	72.4	Confident	65.3	Low	18 Å²	18	67 Å²	67	9%	0.094	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-46.8	167.7	173.9	63.8	0	0	0	110.7	K408 C409 F416 W418 S419 E424 H425 K426	K408-L422 VanDerWaalsContact O-CD2 3.28Å; K408-L422 WeakPolarHBondContact O-CD2 3.4Å; C409-L422 HydrophobicContact CB-CD1 3.54Å; F416-L422 HydrophobicContact CB-CB 4.13Å; F416-L422 HydrophobicContact CD2-CB 3.99Å; F416-L422 HydrophobicContact CD2-CD1 3.68Å; F416-L422 HydrophobicContact CD2-CG 4.46Å; F416-L422 HydrophobicContact CE2-CD1 4.06Å; F416-L422 HydrophobicContact CG-CB 4.25Å; W418-L422 PolarHBondContact O-N 3.22Å; W418-L422 VanDerWaalsContact O-N 3.12Å; S419-L422 CarbonylContact O-C 3.6Å; S419-L422 WeakPolarHBondContact O-CB 3.35Å; S419-L422 PolarHBondContact O-N 3.38Å; S419-L422 VanDerWaalsContact O-N 3.08Å; L422-E424 VanDerWaalsContact C-N 3.33Å; L422-E424 PolarHBondContact O-N 3.25Å; L422-H425 CarbonylContact O-C 3.58Å; L422-H425 WeakPolarHBondContact O-CB 3.31Å; L422-H425 PolarHBondContact O-N 3.4Å; L422-H425 VanDerWaalsContact O-N 3.09Å; L422-K426 HydrophobicContact CD1-CG 4.27Å; L422-K426 HydrophobicContact CG-CD 4.48Å; L422-K426 HydrophobicContact CG-CG 4.47Å; L422-K426 WeakPolarHBondContact O-CG 3.46Å; L422-K426 PolarHBondContact O-N 2.84Å
423	T	67	Low	65.4	Low	87 Å²	87	69.6 Å²	69.6	53%	0.534	38%	0.379	S	S	.	.	H	α-helix	trans	-59	-44.2	176.3	-52	0	0	0	0	111.2	S419 H425 K426 L427	S419-T423 PolarHBondContact O-N 3.04Å; S419-T423 PolarHBondContact O-OG1 2.82Å; T423-H425 VanDerWaalsContact C-N 3.31Å; T423-H425 PolarHBondContact O-N 3.48Å; T423-K426 PolarHBondContact O-N 2.86Å; T423-L427 PolarHBondContact O-N 3.07Å
424	E	64.2	Low	65.9	Low	52 Å²	52	70.5 Å²	70.5	24%	0.243	38%	0.375	C	S	.	.	H	α-helix	trans	-59.6	-40.3	172.8	174.8	-176.9	-177.3	0	0	112.6	S420 K421 L422 L427 W446	S420-E424 WeakPolarHBondContact O-CB 3.39Å; S420-E424 PolarHBondContact O-N 3.29Å; S420-E424 VanDerWaalsContact O-N 3.07Å; K421-E424 WeakPolarHBondContact CD-OE2 3.47Å; K421-E424 WeakPolarHBondContact CE-OE2 3.47Å; K421-E424 IonicContact NZ-OE1 3.77Å; K421-E424 IonicContact NZ-OE2 3.44Å; K421-E424 PolarHBondContact NZ-OE2 2.83Å; L422-E424 VanDerWaalsContact C-N 3.33Å; L422-E424 PolarHBondContact O-N 3.25Å; E424-L427 WeakPolarHBondContact O-CB 3.33Å; E424-L427 PolarHBondContact O-N 3.33Å; E424-W446 HydrophobicContact CB-CZ2 4.34Å; E424-W446 VanDerWaalsContact CD-CZ2 3.41Å; E424-W446 HydrophobicContact CG-CZ2 3.77Å
425	H	70.9	Confident	66.4	Low	21 Å²	21	69 Å²	69	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-72	-33.8	178.2	172	63.2	0	0	0	112.8	C412 F416 K421 L422 T423 L427 T428 H429	C412-H425 PolarHBondContact SG-NE2 3.26Å; F416-H425 HydrophobicContact CD2-CB 4.44Å; F416-H425 HydrophobicContact CE1-CB 3.78Å; F416-H425 AromaticContact CE1-CG 4Å; F416-H425 HydrophobicContact CE2-CB 3.69Å; F416-H425 AromaticContact CE2-CD2 3.11Å; F416-H425 WeakPolarHBondContact CE2-CD2 3.42Å; F416-H425 AromaticContact CE2-CG 3.44Å; F416-H425 VanDerWaalsContact CE2-CG 3.44Å; F416-H425 AromaticContact CE2-NE2 3.82Å; F416-H425 HydrophobicContact CZ-CB 3.32Å; F416-H425 AromaticContact CZ-CD2 3.26Å; F416-H425 WeakPolarHBondContact CZ-CD2 3.34Å; F416-H425 AromaticContact CZ-CG 3.08Å; F416-H425 AromaticContact CZ-ND1 3.66Å; F416-H425 AromaticContact CZ-NE2 3.82Å; K421-H425 VanDerWaalsContact O-CB 3.29Å; K421-H425 WeakPolarHBondContact O-CB 3.32Å; K421-H425 PolarHBondContact O-N 2.86Å; L422-H425 CarbonylContact O-C 3.58Å; L422-H425 WeakPolarHBondContact O-CB 3.31Å; L422-H425 PolarHBondContact O-N 3.4Å; L422-H425 VanDerWaalsContact O-N 3.09Å; T423-H425 VanDerWaalsContact C-N 3.31Å; T423-H425 PolarHBondContact O-N 3.48Å; H425-L427 PolarHBondContact O-N 2.98Å; H425-T428 PolarHBondContact ND1-OG1 3.14Å; H425-T428 WeakPolarHBondContact O-CA 3.31Å; H425-T428 WeakPolarHBondContact O-CB 3.38Å; H425-T428 PolarHBondContact O-N 3.33Å; H425-T428 PolarHBondContact O-OG1 3.15Å; H425-H429 AromaticContact CD2-NE2 3.68Å; H425-H429 AromaticContact CE1-CE1 3.73Å; H425-H429 AromaticContact CE1-NE2 3.33Å; H425-H429 PolarHBondContact CE1-NE2 3.47Å; H425-H429 VanDerWaalsContact CE1-NE2 3.33Å; H425-H429 AromaticContact NE2-CD2 3.93Å; H425-H429 AromaticContact NE2-CE1 3.73Å; H425-H429 AromaticContact NE2-NE2 2.96Å; H425-H429 PolarHBondContact NE2-NE2 3Å
426	K	65.9	Low	66.5	Low	94 Å²	94	74.4 Å²	74.4	41%	0.409	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-32.7	174.2	-73.8	-174.9	174.9	-162.3	0	112	L422 T423 T428 H429 T430	L422-K426 HydrophobicContact CD1-CG 4.27Å; L422-K426 HydrophobicContact CG-CD 4.48Å; L422-K426 HydrophobicContact CG-CG 4.47Å; L422-K426 WeakPolarHBondContact O-CG 3.46Å; L422-K426 PolarHBondContact O-N 2.84Å; T423-K426 PolarHBondContact O-N 2.86Å; K426-T428 PolarHBondContact O-N 3.03Å; K426-T428 VanDerWaalsContact O-N 3.12Å; K426-H429 PolarHBondContact O-N 3.49Å; K426-T430 PolarHBondContact O-N 3.13Å
427	L	66.9	Low	66.8	Low	45 Å²	45	72.4 Å²	72.4	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-62.2	-17.9	171.5	-59.8	172.8	0	0	0	113.7	T423 E424 H425 G431 E432	T423-L427 PolarHBondContact O-N 3.07Å; E424-L427 WeakPolarHBondContact O-CB 3.33Å; E424-L427 PolarHBondContact O-N 3.33Å; H425-L427 PolarHBondContact O-N 2.98Å; L427-G431 PolarHBondContact O-N 2.91Å; L427-E432 HydrophobicContact CD2-CB 4.4Å
428	T	59.3	Low	67.3	Low	82 Å²	82	78.3 Å²	78.3	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-81.2	-20.3	175.3	68	0	0	0	0	113.5	H425 K426	H425-T428 PolarHBondContact ND1-OG1 3.14Å; H425-T428 WeakPolarHBondContact O-CA 3.31Å; H425-T428 WeakPolarHBondContact O-CB 3.38Å; H425-T428 PolarHBondContact O-N 3.33Å; H425-T428 PolarHBondContact O-OG1 3.15Å; K426-T428 PolarHBondContact O-N 3.03Å; K426-T428 VanDerWaalsContact O-N 3.12Å
429	H	58.9	Low	67.2	Low	72 Å²	72	79 Å²	79	33%	0.333	41%	0.413	S	S	.	.	H	α-helix	trans	-88.6	-40.5	175.4	-61.5	-52.6	0	0	0	111.7	C409 E411 C412 H425 K426 G431	C409-H429 PolarHBondContact SG-CD2 3.06Å; C409-H429 PolarHBondContact SG-NE2 3.13Å; E411-H429 WeakPolarHBondContact OE2-CB 3.48Å; E411-H429 IonicContact OE2-CD2 3.01Å; E411-H429 PolarHBondContact OE2-CD2 3.43Å; E411-H429 IonicContact OE2-CG 3.97Å; C412-H429 VanDerWaalsContact CB-CE1 3.48Å; C412-H429 WeakPolarHBondContact CB-CE1 3.4Å; C412-H429 PolarHBondContact SG-CE1 3.34Å; C412-H429 PolarHBondContact SG-NE2 2.87Å; H425-H429 AromaticContact CD2-NE2 3.68Å; H425-H429 AromaticContact CE1-CE1 3.73Å; H425-H429 AromaticContact CE1-NE2 3.33Å; H425-H429 PolarHBondContact CE1-NE2 3.47Å; H425-H429 VanDerWaalsContact CE1-NE2 3.33Å; H425-H429 AromaticContact NE2-CD2 3.93Å; H425-H429 AromaticContact NE2-CE1 3.73Å; H425-H429 AromaticContact NE2-NE2 2.96Å; H425-H429 PolarHBondContact NE2-NE2 3Å; K426-H429 PolarHBondContact O-N 3.49Å; H429-G431 PolarHBondContact O-N 3.09Å
430	T	60.3	Low	67.4	Low	74 Å²	74	78.4 Å²	78.4	45%	0.454	41%	0.409	S	S	.	.	S	Bend	trans	-74.3	-15.1	177	63.1	0	0	0	0	113	K426 E432	K426-T430 PolarHBondContact O-N 3.13Å; T430-E432 PolarHBondContact O-N 3.32Å; T430-E432 PolarHBondContact OG1-N 3.48Å
431	G	58.8	Low	67.6	Low	53 Å²	53	77.9 Å²	77.9	55%	0.546	42%	0.415	S	S	.	.			trans	66.2	4.1	-175.4	0	0	0	0	0	113.8	L427 H429 K433	L427-G431 PolarHBondContact O-N 2.91Å; H429-G431 PolarHBondContact O-N 3.09Å; G431-K433 PolarHBondContact O-N 3.29Å
432	E	59.1	Low	67.5	Low	118 Å²	118	80.1 Å²	80.1	55%	0.551	42%	0.424	S	S	*	.			trans	-67.5	120.2	-177.5	-71.1	-175.3	167.8	0	0	110.3	L427 T430 P434	L427-E432 HydrophobicContact CD2-CB 4.4Å; T430-E432 PolarHBondContact O-N 3.32Å; T430-E432 PolarHBondContact OG1-N 3.48Å; E432-P434 WeakPolarHBondContact O-CD 3.46Å
433	K	68.3	Low	67.6	Low	106 Å²	106	80.4 Å²	80.4	46%	0.461	43%	0.429	S	S	.	.			trans	-117.1	86.1	174.7	-74.9	165.9	168.2	-174.8	0	107.3	G431 Y435 A443 F444 N445	G431-K433 PolarHBondContact O-N 3.29Å; K433-Y435 PolarHBondContact O-N 3.06Å; K433-Y435 VanDerWaalsContact O-N 3.08Å; K433-A443 HydrophobicContact CB-CB 3.25Å; K433-A443 HydrophobicContact CD-CB 3.81Å; K433-A443 WeakPolarHBondContact CD-O 3.41Å; K433-A443 HydrophobicContact CG-CB 4.14Å; K433-F444 CarbonylContact C-O 3.55Å; K433-N445 WeakPolarHBondContact CG-OD1 3.34Å
434	P	72.3	Confident	68.1	Low	75 Å²	75	78.3 Å²	78.3	49%	0.487	41%	0.413	S	S	.	.			trans	-64.3	-20.4	-167.9	-22.9	34.2	0	0	0	113.5	E432	E432-P434 WeakPolarHBondContact O-CD 3.46Å
435	Y	72.9	Confident	68.3	Low	94 Å²	94	78.3 Å²	78.3	37%	0.369	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	90.3	-173.5	-53.7	-73.6	0	0	0	109.8	K433 A443 F444 W446 P447	K433-Y435 PolarHBondContact O-N 3.06Å; K433-Y435 VanDerWaalsContact O-N 3.08Å; Y435-A443 CarbonylContact O-C 3.58Å; Y435-A443 WeakPolarHBondContact O-CA 3.41Å; Y435-F444 WeakPolarHBondContact CB-O 3.32Å; Y435-F444 PolarHBondContact N-O 3.3Å; Y435-F444 PolarHBondContact O-N 3.38Å; Y435-W446 VanDerWaalsContact CD2-C 3.48Å; Y435-P447 HydrophobicContact CD1-CB 4.15Å; Y435-P447 HydrophobicContact CD1-CG 3.98Å; Y435-P447 HydrophobicContact CD2-CG 4.38Å; Y435-P447 HydrophobicContact CE1-CB 4.16Å; Y435-P447 HydrophobicContact CE1-CG 3.54Å; Y435-P447 VanDerWaalsContact CE2-CD 3.44Å; Y435-P447 HydrophobicContact CE2-CG 3.96Å; Y435-P447 HydrophobicContact CG-CG 4.37Å
436	K	70.4	Confident	68.3	Low	138 Å²	138	82.7 Å²	82.7	60%	0.6	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.5	177.7	-63	-178.1	-179.2	176.2	0	110.9	A443 L450	K436-A443 HydrophobicContact CG-CB 3.8Å; K436-L450 WeakPolarHBondContact O-CD2 3.41Å
437	C	78.7	Confident	68.5	Low	3 Å²	3	81 Å²	81	2%	0.02	43%	0.429	C	S	.	.			trans	-88.8	117.2	168.8	-179.8	0	0	0	0	108.4	E439 G441 K442 F444 L450 N454 H457	C437-E439 VanDerWaalsContact C-N 3.29Å; C437-E439 PolarHBondContact O-N 3.37Å; C437-G441 VanDerWaalsContact O-CA 3.24Å; C437-G441 WeakPolarHBondContact O-CA 3.42Å; C437-G441 PolarHBondContact O-N 3.44Å; C437-K442 VanDerWaalsContact CB-O 3.29Å; C437-K442 WeakPolarHBondContact CB-O 3.32Å; C437-K442 PolarHBondContact N-O 3.14Å; C437-F444 HydrophobicContact CB-CE2 4.27Å; C437-L450 HydrophobicContact CB-CD1 3.57Å; C437-N454 PolarHBondContact SG-OD1 3.44Å; C437-H457 VanDerWaalsContact SG-CD2 3.53Å; C437-H457 PolarHBondContact SG-NE2 2.81Å
438	E	74.4	Confident	68.9	Low	177 Å²	177	82 Å²	82	83%	0.827	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.5	-178.8	-60.8	-54.6	137.2	0	0	112.5
439	E	68.8	Low	69.8	Low	134 Å²	134	80.3 Å²	80.3	63%	0.626	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-25.5	-175.8	-69.3	173	141.5	0	0	114.4	C437 H457	C437-E439 VanDerWaalsContact C-N 3.29Å; C437-E439 PolarHBondContact O-N 3.37Å; E439-H457 WeakPolarHBondContact OE2-CB 3.39Å; E439-H457 IonicContact OE2-CD2 2.61Å; E439-H457 PolarHBondContact OE2-CD2 3Å; E439-H457 IonicContact OE2-CG 3.35Å
440	C	68.4	Low	70.7	Confident	50 Å²	50	78.1 Å²	78.1	34%	0.338	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	10.3	-177.5	82.8	0	0	0	0	114.7	K442 H453 H457	C440-K442 PolarHBondContact O-N 3.13Å; C440-K442 VanDerWaalsContact SG-CG 3.6Å; C440-H453 PolarHBondContact SG-NE2 3.36Å; C440-H457 PolarHBondContact SG-NE2 2.96Å; C440-H457 VanDerWaalsContact SG-NE2 3.43Å
441	G	70.5	Confident	71.6	Confident	61 Å²	61	78.5 Å²	78.5	63%	0.629	42%	0.423	S	S	*	.			trans	63.9	3.8	178.7	0	0	0	0	0	115.4	C437 A443	C437-G441 VanDerWaalsContact O-CA 3.24Å; C437-G441 WeakPolarHBondContact O-CA 3.42Å; C437-G441 PolarHBondContact O-N 3.44Å; G441-A443 PolarHBondContact O-N 3.48Å
442	K	69.6	Low	72.6	Confident	128 Å²	128	81 Å²	81	56%	0.557	42%	0.418	S	S	*	.			trans	-76.2	128	-177.2	-75.6	179.6	-176.7	169.5	0	110	C437 C440 F444	C437-K442 VanDerWaalsContact CB-O 3.29Å; C437-K442 WeakPolarHBondContact CB-O 3.32Å; C437-K442 PolarHBondContact N-O 3.14Å; C440-K442 PolarHBondContact O-N 3.13Å; C440-K442 VanDerWaalsContact SG-CG 3.6Å; K442-F444 HydrophobicContact CB-CE2 3.94Å; K442-F444 HydrophobicContact CB-CZ 4.01Å; K442-F444 WeakPolarHBondContact O-CD2 3.31Å; K442-F444 VanDerWaalsContact O-CE2 3.27Å; K442-F444 WeakPolarHBondContact O-CE2 3.23Å
443	A	73.5	Confident	73.6	Confident	24 Å²	24	76.3 Å²	76.3	20%	0.198	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.7	-177.5	0	0	0	0	0	111.5	K433 Y435 K436 G441	K433-A443 HydrophobicContact CB-CB 3.25Å; K433-A443 HydrophobicContact CD-CB 3.81Å; K433-A443 WeakPolarHBondContact CD-O 3.41Å; K433-A443 HydrophobicContact CG-CB 4.14Å; Y435-A443 CarbonylContact O-C 3.58Å; Y435-A443 WeakPolarHBondContact O-CA 3.41Å; K436-A443 HydrophobicContact CG-CB 3.8Å; G441-A443 PolarHBondContact O-N 3.48Å
444	F	77.4	Confident	74.1	Confident	43 Å²	43	73.8 Å²	73.8	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.4	-175.6	-58.6	-88.1	0	0	0	111.4	K433 Y435 C437 K442 W446 T449 L450 H453	K433-F444 CarbonylContact C-O 3.55Å; Y435-F444 WeakPolarHBondContact CB-O 3.32Å; Y435-F444 PolarHBondContact N-O 3.3Å; Y435-F444 PolarHBondContact O-N 3.38Å; C437-F444 HydrophobicContact CB-CE2 4.27Å; K442-F444 HydrophobicContact CB-CE2 3.94Å; K442-F444 HydrophobicContact CB-CZ 4.01Å; K442-F444 WeakPolarHBondContact O-CD2 3.31Å; K442-F444 VanDerWaalsContact O-CE2 3.27Å; K442-F444 WeakPolarHBondContact O-CE2 3.23Å; F444-W446 VanDerWaalsContact C-N 3.31Å; F444-T449 WeakPolarHBondContact CB-OG1 3.5Å; F444-L450 HydrophobicContact CB-CB 4.4Å; F444-L450 HydrophobicContact CD2-CB 3.97Å; F444-L450 HydrophobicContact CD2-CD1 3.66Å; F444-L450 HydrophobicContact CD2-CG 4.42Å; F444-L450 HydrophobicContact CE2-CD1 3.85Å; F444-L450 HydrophobicContact CG-CB 4.37Å; F444-H453 HydrophobicContact CE1-CB 3.99Å; F444-H453 HydrophobicContact CE2-CB 3.83Å; F444-H453 AromaticContact CE2-CD2 3.35Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.33Å; F444-H453 AromaticContact CE2-CG 3.55Å; F444-H453 AromaticContact CE2-NE2 3.97Å; F444-H453 HydrophobicContact CZ-CB 3.46Å; F444-H453 VanDerWaalsContact CZ-CB 3.46Å; F444-H453 AromaticContact CZ-CD2 3.42Å; F444-H453 VanDerWaalsContact CZ-CD2 3.42Å; F444-H453 WeakPolarHBondContact CZ-CD2 3.45Å; F444-H453 AromaticContact CZ-CE1 3.95Å; F444-H453 AromaticContact CZ-CG 3.15Å; F444-H453 AromaticContact CZ-ND1 3.52Å; F444-H453 AromaticContact CZ-NE2 3.87Å
445	N	69.9	Low	74.7	Confident	53 Å²	53	72.8 Å²	72.8	28%	0.283	37%	0.374	S	S	.	.	S	Bend	trans	-82.8	-13	-179.5	-54.1	17.3	0	0	0	111.8	K433	K433-N445 WeakPolarHBondContact CG-OD1 3.34Å
446	W	70.6	Confident	74.9	Confident	113 Å²	113	73.3 Å²	73.3	43%	0.428	38%	0.383	S	S	.	.			trans	-136.9	144.3	-178.1	-56.9	97.5	0	0	0	112.9	E424 Y435 F444 S448 T449 L450	E424-W446 HydrophobicContact CB-CZ2 4.34Å; E424-W446 VanDerWaalsContact CD-CZ2 3.41Å; E424-W446 HydrophobicContact CG-CZ2 3.77Å; Y435-W446 VanDerWaalsContact CD2-C 3.48Å; F444-W446 VanDerWaalsContact C-N 3.31Å; W446-S448 VanDerWaalsContact C-N 3.3Å; W446-S448 PolarHBondContact O-N 3.32Å; W446-T449 HydrophobicContact CB-CG2 4.19Å; W446-T449 WeakPolarHBondContact CB-OG1 3.37Å; W446-T449 PolarHBondContact N-OG1 3.11Å; W446-T449 PolarHBondContact O-N 3.34Å; W446-T449 PolarHBondContact O-OG1 2.77Å; W446-L450 PolarHBondContact O-N 3.24Å; W446-L450 VanDerWaalsContact O-N 3.11Å
447	P	70.6	Confident	75.1	Confident	57 Å²	57	70 Å²	70	37%	0.37	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-41	172.4	-7.4	16.5	0	0	0	110.8	Y435 T449 L450 T451	Y435-P447 HydrophobicContact CD1-CB 4.15Å; Y435-P447 HydrophobicContact CD1-CG 3.98Å; Y435-P447 HydrophobicContact CD2-CG 4.38Å; Y435-P447 HydrophobicContact CE1-CB 4.16Å; Y435-P447 HydrophobicContact CE1-CG 3.54Å; Y435-P447 VanDerWaalsContact CE2-CD 3.44Å; Y435-P447 HydrophobicContact CE2-CG 3.96Å; Y435-P447 HydrophobicContact CG-CG 4.37Å; P447-T449 PolarHBondContact O-N 2.8Å; P447-L450 CarbonylContact O-C 3.49Å; P447-L450 WeakPolarHBondContact O-CB 3.46Å; P447-L450 PolarHBondContact O-N 3.1Å; P447-L450 VanDerWaalsContact O-N 3.09Å; P447-T451 PolarHBondContact O-N 3.26Å; P447-T451 PolarHBondContact O-OG1 3.09Å
448	S	74.5	Confident	74.9	Confident	66 Å²	66	73.7 Å²	73.7	46%	0.462	39%	0.391	S	S	.	.	H	α-helix	trans	-63.4	-27.2	179.6	70.4	0	0	0	0	113.8	W446 K452	W446-S448 VanDerWaalsContact C-N 3.3Å; W446-S448 PolarHBondContact O-N 3.32Å; S448-K452 WeakPolarHBondContact O-CD 3.44Å; S448-K452 VanDerWaalsContact O-CG 3.23Å; S448-K452 WeakPolarHBondContact O-CG 3.5Å; S448-K452 PolarHBondContact O-N 3.48Å
449	T	77	Confident	75	Confident	48 Å²	48	67.3 Å²	67.3	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-79.7	-36.2	173.6	49	0	0	0	0	111.8	F444 W446 P447 K452 H453	F444-T449 WeakPolarHBondContact CB-OG1 3.5Å; W446-T449 HydrophobicContact CB-CG2 4.19Å; W446-T449 WeakPolarHBondContact CB-OG1 3.37Å; W446-T449 PolarHBondContact N-OG1 3.11Å; W446-T449 PolarHBondContact O-N 3.34Å; W446-T449 PolarHBondContact O-OG1 2.77Å; P447-T449 PolarHBondContact O-N 2.8Å; T449-K452 PolarHBondContact O-N 3.31Å; T449-H453 WeakPolarHBondContact O-CB 3.45Å; T449-H453 PolarHBondContact O-N 3.2Å
450	L	79.5	Confident	75.5	Confident	26 Å²	26	66 Å²	66	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-46.9	170.9	175.8	63.5	0	0	0	110.8	K436 C437 F444 W446 P447 K452 H453 N454	K436-L450 WeakPolarHBondContact O-CD2 3.41Å; C437-L450 HydrophobicContact CB-CD1 3.57Å; F444-L450 HydrophobicContact CB-CB 4.4Å; F444-L450 HydrophobicContact CD2-CB 3.97Å; F444-L450 HydrophobicContact CD2-CD1 3.66Å; F444-L450 HydrophobicContact CD2-CG 4.42Å; F444-L450 HydrophobicContact CE2-CD1 3.85Å; F444-L450 HydrophobicContact CG-CB 4.37Å; W446-L450 PolarHBondContact O-N 3.24Å; W446-L450 VanDerWaalsContact O-N 3.11Å; P447-L450 CarbonylContact O-C 3.49Å; P447-L450 WeakPolarHBondContact O-CB 3.46Å; P447-L450 PolarHBondContact O-N 3.1Å; P447-L450 VanDerWaalsContact O-N 3.09Å; L450-K452 VanDerWaalsContact C-N 3.28Å; L450-K452 PolarHBondContact O-N 3.39Å; L450-H453 CarbonylContact O-C 3.58Å; L450-H453 WeakPolarHBondContact O-CA 3.29Å; L450-H453 WeakPolarHBondContact O-CB 3.47Å; L450-H453 PolarHBondContact O-N 3.04Å; L450-N454 VanDerWaalsContact CD1-OD1 3.31Å; L450-N454 WeakPolarHBondContact CD1-OD1 3.43Å; L450-N454 VanDerWaalsContact O-CG 3.32Å; L450-N454 PolarHBondContact O-N 3.18Å; L450-N454 PolarHBondContact O-OD1 2.87Å
451	T	78.1	Confident	76.2	Confident	82 Å²	82	69.5 Å²	69.5	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-38.4	175.6	-49.3	0	0	0	0	112.2	P447 H453	P447-T451 PolarHBondContact O-N 3.26Å; P447-T451 PolarHBondContact O-OG1 3.09Å; T451-H453 VanDerWaalsContact C-N 3.34Å
452	K	80.8	Confident	76.8	Confident	104 Å²	104	69.9 Å²	69.9	45%	0.452	37%	0.369	S	S	.	.	H	α-helix	trans	-69.5	-33.2	174.2	-73.9	168.9	-172.2	172.4	0	112.4	S448 T449 L450	S448-K452 WeakPolarHBondContact O-CD 3.44Å; S448-K452 VanDerWaalsContact O-CG 3.23Å; S448-K452 WeakPolarHBondContact O-CG 3.5Å; S448-K452 PolarHBondContact O-N 3.48Å; T449-K452 PolarHBondContact O-N 3.31Å; L450-K452 VanDerWaalsContact C-N 3.28Å; L450-K452 PolarHBondContact O-N 3.39Å
453	H	80.7	Confident	77.6	Confident	20 Å²	20	67.5 Å²	67.5	9%	0.093	36%	0.356	C	S	.	.	H	α-helix	trans	-72.4	-42.4	177.3	172	71.3	0	0	0	112	C440 F444 T449 L450 T451 R455 I456 H457	C440-H453 PolarHBondContact SG-NE2 3.36Å; F444-H453 HydrophobicContact CE1-CB 3.99Å; F444-H453 HydrophobicContact CE2-CB 3.83Å; F444-H453 AromaticContact CE2-CD2 3.35Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.33Å; F444-H453 AromaticContact CE2-CG 3.55Å; F444-H453 AromaticContact CE2-NE2 3.97Å; F444-H453 HydrophobicContact CZ-CB 3.46Å; F444-H453 VanDerWaalsContact CZ-CB 3.46Å; F444-H453 AromaticContact CZ-CD2 3.42Å; F444-H453 VanDerWaalsContact CZ-CD2 3.42Å; F444-H453 WeakPolarHBondContact CZ-CD2 3.45Å; F444-H453 AromaticContact CZ-CE1 3.95Å; F444-H453 AromaticContact CZ-CG 3.15Å; F444-H453 AromaticContact CZ-ND1 3.52Å; F444-H453 AromaticContact CZ-NE2 3.87Å; T449-H453 WeakPolarHBondContact O-CB 3.45Å; T449-H453 PolarHBondContact O-N 3.2Å; L450-H453 CarbonylContact O-C 3.58Å; L450-H453 WeakPolarHBondContact O-CA 3.29Å; L450-H453 WeakPolarHBondContact O-CB 3.47Å; L450-H453 PolarHBondContact O-N 3.04Å; T451-H453 VanDerWaalsContact C-N 3.34Å; H453-R455 PolarHBondContact O-N 3.11Å; H453-R455 VanDerWaalsContact O-N 3.1Å; H453-I456 WeakPolarHBondContact O-CB 3.43Å; H453-I456 VanDerWaalsContact O-CG1 3.26Å; H453-I456 WeakPolarHBondContact O-CG1 3.45Å; H453-I456 PolarHBondContact O-N 3.23Å; H453-H457 AromaticContact CD2-NE2 3.91Å; H453-H457 AromaticContact CE1-NE2 3.85Å; H453-H457 AromaticContact NE2-CE1 3.96Å; H453-H457 AromaticContact NE2-NE2 3.21Å; H453-H457 PolarHBondContact NE2-NE2 2.82Å
454	N	78.3	Confident	77.9	Confident	53 Å²	53	73.6 Å²	73.6	28%	0.283	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-25.3	179.9	-69.6	-2.2	0	0	0	112.7	C437 L450 I456 H457 T458	C437-N454 PolarHBondContact SG-OD1 3.44Å; L450-N454 VanDerWaalsContact CD1-OD1 3.31Å; L450-N454 WeakPolarHBondContact CD1-OD1 3.43Å; L450-N454 VanDerWaalsContact O-CG 3.32Å; L450-N454 PolarHBondContact O-N 3.18Å; L450-N454 PolarHBondContact O-OD1 2.87Å; N454-I456 PolarHBondContact O-N 3.2Å; N454-I456 VanDerWaalsContact O-N 3.08Å; N454-H457 PolarHBondContact O-N 3.06Å; N454-T458 PolarHBondContact O-N 3.28Å; N454-T458 PolarHBondContact O-OG1 3.11Å
455	R	83.9	Confident	78.3	Confident	54 Å²	54	71.7 Å²	71.7	20%	0.204	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.1	171	-63.1	174.6	-174.1	-157.9	-7.9	114.4	H453 T458 G459 E460 N473	H453-R455 PolarHBondContact O-N 3.11Å; H453-R455 VanDerWaalsContact O-N 3.1Å; R455-T458 WeakPolarHBondContact CA-OG1 3.26Å; R455-G459 PolarHBondContact O-N 3.17Å; R455-E460 HydrophobicContact CB-CB 4.42Å; R455-E460 HydrophobicContact CG-CB 4.28Å; R455-E460 PolarHBondContact O-N 3.49Å; R455-N473 HydrophobicContact CB-CB 4.36Å; R455-N473 PolarHBondContact NH1-O 3.19Å
456	I	76.5	Confident	78.8	Confident	106 Å²	106	77.2 Å²	77.2	54%	0.544	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-38.1	174.1	-61	173.2	0	0	0	109.9	H453 N454	H453-I456 WeakPolarHBondContact O-CB 3.43Å; H453-I456 VanDerWaalsContact O-CG1 3.26Å; H453-I456 WeakPolarHBondContact O-CG1 3.45Å; H453-I456 PolarHBondContact O-N 3.23Å; N454-I456 PolarHBondContact O-N 3.2Å; N454-I456 VanDerWaalsContact O-N 3.08Å
457	H	75.5	Confident	79.2	Confident	69 Å²	69	76.9 Å²	76.9	32%	0.319	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-44.4	-177.7	-54.2	-46.9	0	0	0	111.6	C437 E439 C440 H453 N454 G459	C437-H457 VanDerWaalsContact SG-CD2 3.53Å; C437-H457 PolarHBondContact SG-NE2 2.81Å; E439-H457 WeakPolarHBondContact OE2-CB 3.39Å; E439-H457 IonicContact OE2-CD2 2.61Å; E439-H457 PolarHBondContact OE2-CD2 3Å; E439-H457 IonicContact OE2-CG 3.35Å; C440-H457 PolarHBondContact SG-NE2 2.96Å; C440-H457 VanDerWaalsContact SG-NE2 3.43Å; H453-H457 AromaticContact CD2-NE2 3.91Å; H453-H457 AromaticContact CE1-NE2 3.85Å; H453-H457 AromaticContact NE2-CE1 3.96Å; H453-H457 AromaticContact NE2-NE2 3.21Å; H453-H457 PolarHBondContact NE2-NE2 2.82Å; N454-H457 PolarHBondContact O-N 3.06Å; H457-G459 PolarHBondContact O-N 3.45Å
458	T	75.4	Confident	79.5	Confident	79 Å²	79	76.7 Å²	76.7	49%	0.485	40%	0.404	S	S	.	.	S	Bend	trans	-71.7	-10.7	176.6	64.9	0	0	0	0	113.4	N454 R455 E460	N454-T458 PolarHBondContact O-N 3.28Å; N454-T458 PolarHBondContact O-OG1 3.11Å; R455-T458 WeakPolarHBondContact CA-OG1 3.26Å; T458-E460 PolarHBondContact O-N 3.17Å; T458-E460 VanDerWaalsContact O-N 3.09Å; T458-E460 WeakPolarHBondContact OG1-CG 3.19Å
459	G	76.1	Confident	79.7	Confident	44 Å²	44	76.2 Å²	76.2	45%	0.454	41%	0.41	S	S	.	.			trans	67.2	5.1	-176.5	0	0	0	0	0	114.6	R455 H457 K461	R455-G459 PolarHBondContact O-N 3.17Å; H457-G459 PolarHBondContact O-N 3.45Å; G459-K461 PolarHBondContact O-N 3.48Å
460	E	78.4	Confident	79.8	Confident	107 Å²	107	80.2 Å²	80.2	50%	0.5	42%	0.423	S	S	.	.			trans	-57.9	122.6	-178.3	-79.2	-177.8	-174	0	0	111.9	R455 T458 P462	R455-E460 HydrophobicContact CB-CB 4.42Å; R455-E460 HydrophobicContact CG-CB 4.28Å; R455-E460 PolarHBondContact O-N 3.49Å; T458-E460 PolarHBondContact O-N 3.17Å; T458-E460 VanDerWaalsContact O-N 3.09Å; T458-E460 WeakPolarHBondContact OG1-CG 3.19Å; E460-P462 WeakPolarHBondContact O-CD 2.84Å
461	K	82.9	Confident	80.1	Confident	122 Å²	122	80.5 Å²	80.5	53%	0.53	43%	0.429	S	S	.	.			trans	-123.9	74.7	176.2	-70.8	166.2	-179.9	174	0	110.6	G459 Y463 A471 F472	G459-K461 PolarHBondContact O-N 3.48Å; K461-Y463 PolarHBondContact O-N 3.13Å; K461-Y463 VanDerWaalsContact O-N 3.11Å; K461-A471 HydrophobicContact CB-CB 3.52Å; K461-A471 HydrophobicContact CD-CB 4.16Å; K461-A471 WeakPolarHBondContact CD-O 3.39Å; K461-A471 HydrophobicContact CG-CB 4.42Å; K461-F472 CarbonylContact C-O 3.5Å; K461-F472 VanDerWaalsContact C-O 3.25Å; K461-F472 WeakPolarHBondContact CA-O 3.3Å
462	P	84.1	Confident	80.5	Confident	70 Å²	70	78.6 Å²	78.6	46%	0.455	41%	0.414	S	S	.	.			trans	-65.2	-18.5	-171.9	-22.7	35.1	0	0	0	114.3	E460	E460-P462 WeakPolarHBondContact O-CD 2.84Å
463	Y	85.4	Confident	80.6	Confident	77 Å²	77	75.7 Å²	75.7	30%	0.302	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	96.7	-171.4	-54.7	-74.4	0	0	0	110.4	K461 A471 F472 F475	K461-Y463 PolarHBondContact O-N 3.13Å; K461-Y463 VanDerWaalsContact O-N 3.11Å; Y463-A471 CarbonylContact O-C 3.6Å; Y463-A471 WeakPolarHBondContact O-CA 3.48Å; Y463-F472 PolarHBondContact N-O 3.21Å; Y463-F472 VanDerWaalsContact N-O 3.1Å; Y463-F472 PolarHBondContact O-N 3.27Å; Y463-F475 HydrophobicContact CD1-CB 3.96Å; Y463-F475 AromaticContact CD1-CD2 3.82Å; Y463-F475 HydrophobicContact CD1-CD2 3.82Å; Y463-F475 HydrophobicContact CD1-CG 4.4Å; Y463-F475 HydrophobicContact CD2-CB 4.39Å; Y463-F475 VanDerWaalsContact CD2-N 3.28Å; Y463-F475 HydrophobicContact CE1-CB 3.76Å; Y463-F475 HydrophobicContact CE1-CD2 4.05Å; Y463-F475 HydrophobicContact CE1-CG 4.35Å; Y463-F475 HydrophobicContact CE2-CB 4.2Å; Y463-F475 VanDerWaalsContact CE2-N 3.31Å; Y463-F475 HydrophobicContact CG-CB 4.25Å
464	K	80.2	Confident	80.8	Confident	153 Å²	153	78.1 Å²	78.1	67%	0.665	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.8	179.2	-64.8	-177.2	-179.3	178.4	0	111.8	A471	K464-A471 HydrophobicContact CG-CB 3.87Å
465	C	85.9	Confident	80.8	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.014	43%	0.427	C	S	.	.			trans	-85.8	119.4	170.9	-175.4	0	0	0	0	109.7	V467 G469 K470 F472 L478 H485	C465-V467 PolarHBondContact O-N 3.22Å; C465-G469 WeakPolarHBondContact O-CA 3.48Å; C465-G469 PolarHBondContact O-N 2.92Å; C465-K470 WeakPolarHBondContact CB-O 3.29Å; C465-K470 PolarHBondContact N-O 3.5Å; C465-F472 HydrophobicContact CB-CE2 4.36Å; C465-L478 HydrophobicContact CB-CD1 3.62Å; C465-H485 VanDerWaalsContact SG-CD2 3.59Å; C465-H485 PolarHBondContact SG-NE2 3.23Å
466	E	81.1	Confident	80.6	Confident	170 Å²	170	82 Å²	82	79%	0.794	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23	-179.7	-66.5	151.6	158.5	0	0	112.9	K482	E466-K482 IonicContact OE2-NZ 3.02Å; E466-K482 PolarHBondContact OE2-NZ 3.12Å
467	V	78.5	Confident	81	Confident	105 Å²	105	79.3 Å²	79.3	64%	0.636	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-35.9	-176	-177.5	0	0	0	0	112.8	C465 H485	C465-V467 PolarHBondContact O-N 3.22Å; V467-H485 HydrophobicContact CG1-CB 4.14Å
468	C	76.2	Confident	81.4	Confident	54 Å²	54	76.5 Å²	76.5	37%	0.365	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	7.9	-174.7	71.7	0	0	0	0	114.2	K470 H481 H485	C468-K470 PolarHBondContact O-N 3.28Å; C468-H481 PolarHBondContact SG-NE2 3.09Å; C468-H485 VanDerWaalsContact SG-CE1 3.56Å; C468-H485 PolarHBondContact SG-NE2 3.01Å
469	G	78.6	Confident	81.5	Confident	56 Å²	56	75.4 Å²	75.4	58%	0.577	41%	0.406	S	S	*	.			trans	69.2	-6.5	-179.4	0	0	0	0	0	115.6	C465 A471	C465-G469 WeakPolarHBondContact O-CA 3.48Å; C465-G469 PolarHBondContact O-N 2.92Å; G469-A471 PolarHBondContact O-N 3.29Å
470	K	80.8	Confident	81.7	Confident	132 Å²	132	74.6 Å²	74.6	57%	0.574	39%	0.392	S	S	*	.			trans	-65	129.5	-176.9	-75.3	-175.7	177.8	176.6	0	112	C465 C468 F472	C465-K470 WeakPolarHBondContact CB-O 3.29Å; C465-K470 PolarHBondContact N-O 3.5Å; C468-K470 PolarHBondContact O-N 3.28Å; K470-F472 HydrophobicContact CB-CE2 3.99Å; K470-F472 HydrophobicContact CB-CZ 4.08Å; K470-F472 VanDerWaalsContact O-CE2 3.31Å; K470-F472 WeakPolarHBondContact O-CE2 3.41Å
471	A	85.8	Confident	81.8	Confident	32 Å²	32	70.4 Å²	70.4	26%	0.264	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.1	-178.6	0	0	0	0	0	112.4	K461 Y463 K464 G469	K461-A471 HydrophobicContact CB-CB 3.52Å; K461-A471 HydrophobicContact CD-CB 4.16Å; K461-A471 WeakPolarHBondContact CD-O 3.39Å; K461-A471 HydrophobicContact CG-CB 4.42Å; Y463-A471 CarbonylContact O-C 3.6Å; Y463-A471 WeakPolarHBondContact O-CA 3.48Å; K464-A471 HydrophobicContact CG-CB 3.87Å; G469-A471 PolarHBondContact O-N 3.29Å
472	F	86.3	Confident	81.6	Confident	42 Å²	42	68.6 Å²	68.6	18%	0.184	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.7	-177.6	-58.9	-88.5	0	0	0	111.2	K461 Y463 C465 K470 Q474 N477 L478 H481	K461-F472 CarbonylContact C-O 3.5Å; K461-F472 VanDerWaalsContact C-O 3.25Å; K461-F472 WeakPolarHBondContact CA-O 3.3Å; Y463-F472 PolarHBondContact N-O 3.21Å; Y463-F472 VanDerWaalsContact N-O 3.1Å; Y463-F472 PolarHBondContact O-N 3.27Å; C465-F472 HydrophobicContact CB-CE2 4.36Å; K470-F472 HydrophobicContact CB-CE2 3.99Å; K470-F472 HydrophobicContact CB-CZ 4.08Å; K470-F472 VanDerWaalsContact O-CE2 3.31Å; K470-F472 WeakPolarHBondContact O-CE2 3.41Å; F472-Q474 VanDerWaalsContact C-N 3.32Å; F472-N477 HydrophobicContact CB-CB 4.19Å; F472-N477 HydrophobicContact CD1-CB 3.93Å; F472-N477 HydrophobicContact CG-CB 4.3Å; F472-L478 HydrophobicContact CB-CB 4.36Å; F472-L478 HydrophobicContact CD2-CB 3.91Å; F472-L478 HydrophobicContact CD2-CD1 3.78Å; F472-L478 HydrophobicContact CD2-CG 4.45Å; F472-L478 HydrophobicContact CE2-CD1 3.96Å; F472-L478 HydrophobicContact CG-CB 4.31Å; F472-H481 HydrophobicContact CE1-CB 3.96Å; F472-H481 HydrophobicContact CE2-CB 3.81Å; F472-H481 AromaticContact CE2-CD2 3.4Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.46Å; F472-H481 AromaticContact CE2-CG 3.54Å; F472-H481 HydrophobicContact CZ-CB 3.42Å; F472-H481 VanDerWaalsContact CZ-CB 3.42Å; F472-H481 AromaticContact CZ-CD2 3.46Å; F472-H481 VanDerWaalsContact CZ-CD2 3.46Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.23Å; F472-H481 AromaticContact CZ-CG 3.14Å; F472-H481 AromaticContact CZ-ND1 3.53Å; F472-H481 AromaticContact CZ-NE2 3.98Å
473	N	82.6	Confident	81.4	Confident	42 Å²	42	68 Å²	68	23%	0.225	35%	0.353	C	S	.	.	S	Bend	trans	-76	-18.6	177.8	59.5	9.9	0	0	0	113.6	R455 N477	R455-N473 HydrophobicContact CB-CB 4.36Å; R455-N473 PolarHBondContact NH1-O 3.19Å; N473-N477 PolarHBondContact OD1-ND2 3.36Å
474	Q	83.4	Confident	80.9	Confident	72 Å²	72	70 Å²	70	34%	0.336	37%	0.368	S	S	.	.	S	Bend	trans	-134.9	142.5	-179.4	-62.4	-177.9	14.2	0	0	111.5	F472 S476 N477 L478	F472-Q474 VanDerWaalsContact C-N 3.32Å; Q474-S476 PolarHBondContact O-N 3.23Å; Q474-N477 WeakPolarHBondContact O-CB 3.45Å; Q474-N477 PolarHBondContact O-N 2.89Å; Q474-L478 PolarHBondContact O-N 3.07Å
475	F	79.1	Confident	80.6	Confident	125 Å²	125	66.1 Å²	66.1	55%	0.548	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-40.5	179.6	-176.8	-103.3	0	0	0	112.6	Y463 N477 L478 T479	Y463-F475 HydrophobicContact CD1-CB 3.96Å; Y463-F475 AromaticContact CD1-CD2 3.82Å; Y463-F475 HydrophobicContact CD1-CD2 3.82Å; Y463-F475 HydrophobicContact CD1-CG 4.4Å; Y463-F475 HydrophobicContact CD2-CB 4.39Å; Y463-F475 VanDerWaalsContact CD2-N 3.28Å; Y463-F475 HydrophobicContact CE1-CB 3.76Å; Y463-F475 HydrophobicContact CE1-CD2 4.05Å; Y463-F475 HydrophobicContact CE1-CG 4.35Å; Y463-F475 HydrophobicContact CE2-CB 4.2Å; Y463-F475 VanDerWaalsContact CE2-N 3.31Å; Y463-F475 HydrophobicContact CG-CB 4.25Å; F475-N477 PolarHBondContact O-N 3.09Å; F475-L478 WeakPolarHBondContact O-CB 3.45Å; F475-L478 PolarHBondContact O-N 3.31Å; F475-T479 WeakPolarHBondContact CE1-OG1 3.41Å; F475-T479 PolarHBondContact O-N 3.28Å; F475-T479 PolarHBondContact O-OG1 3.13Å; F475-T479 VanDerWaalsContact O-OG1 3.08Å
476	S	80.3	Confident	79.9	Confident	62 Å²	62	69.8 Å²	69.8	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-55.6	-38.1	175.8	50.4	0	0	0	0	112.4	Q474 T479 T480	Q474-S476 PolarHBondContact O-N 3.23Å; S476-T479 PolarHBondContact O-N 3.5Å; S476-T480 WeakPolarHBondContact O-CG2 3.37Å; S476-T480 PolarHBondContact O-N 3.47Å; S476-T480 PolarHBondContact O-OG1 3.22Å
477	N	83.5	Confident	79.4	Confident	50 Å²	50	65.3 Å²	65.3	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-67.5	-44.7	176.5	-69.7	-26.3	0	0	0	111.1	F472 N473 Q474 F475 T479 T480 H481	F472-N477 HydrophobicContact CB-CB 4.19Å; F472-N477 HydrophobicContact CD1-CB 3.93Å; F472-N477 HydrophobicContact CG-CB 4.3Å; N473-N477 PolarHBondContact OD1-ND2 3.36Å; Q474-N477 WeakPolarHBondContact O-CB 3.45Å; Q474-N477 PolarHBondContact O-N 2.89Å; F475-N477 PolarHBondContact O-N 3.09Å; N477-T479 PolarHBondContact O-N 2.85Å; N477-T480 PolarHBondContact O-N 3.06Å; N477-T480 PolarHBondContact O-OG1 2.86Å; N477-H481 WeakPolarHBondContact O-CB 2.91Å; N477-H481 PolarHBondContact O-N 3.11Å
478	L	83.9	Confident	79.2	Confident	11 Å²	11	65.4 Å²	65.4	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-46.8	173.2	174.9	63.2	0	0	0	111.4	C465 F472 Q474 F475 T480 H481 K482	C465-L478 HydrophobicContact CB-CD1 3.62Å; F472-L478 HydrophobicContact CB-CB 4.36Å; F472-L478 HydrophobicContact CD2-CB 3.91Å; F472-L478 HydrophobicContact CD2-CD1 3.78Å; F472-L478 HydrophobicContact CD2-CG 4.45Å; F472-L478 HydrophobicContact CE2-CD1 3.96Å; F472-L478 HydrophobicContact CG-CB 4.31Å; Q474-L478 PolarHBondContact O-N 3.07Å; F475-L478 WeakPolarHBondContact O-CB 3.45Å; F475-L478 PolarHBondContact O-N 3.31Å; L478-T480 VanDerWaalsContact C-N 3.31Å; L478-T480 PolarHBondContact O-N 2.8Å; L478-H481 WeakPolarHBondContact O-CB 3.23Å; L478-H481 PolarHBondContact O-N 3.05Å; L478-K482 HydrophobicContact CD1-CG 4.23Å; L478-K482 PolarHBondContact O-N 2.85Å
479	T	79.4	Confident	79.2	Confident	55 Å²	55	68.7 Å²	68.7	34%	0.337	37%	0.368	S	S	.	.	H	α-helix	trans	-58	-43.4	177.4	-51.6	0	0	0	0	111.6	F475 S476 N477 H481	F475-T479 WeakPolarHBondContact CE1-OG1 3.41Å; F475-T479 PolarHBondContact O-N 3.28Å; F475-T479 PolarHBondContact O-OG1 3.13Å; F475-T479 VanDerWaalsContact O-OG1 3.08Å; S476-T479 PolarHBondContact O-N 3.5Å; N477-T479 PolarHBondContact O-N 2.85Å; T479-H481 VanDerWaalsContact C-N 3.33Å
480	T	78.4	Confident	79.4	Confident	27 Å²	27	69.5 Å²	69.5	17%	0.166	36%	0.364	C	S	.	.	H	α-helix	trans	-71	-28.9	176	61.2	0	0	0	0	113.4	S476 N477 L478 R483 R502	S476-T480 WeakPolarHBondContact O-CG2 3.37Å; S476-T480 PolarHBondContact O-N 3.47Å; S476-T480 PolarHBondContact O-OG1 3.22Å; N477-T480 PolarHBondContact O-N 3.06Å; N477-T480 PolarHBondContact O-OG1 2.86Å; L478-T480 VanDerWaalsContact C-N 3.31Å; L478-T480 PolarHBondContact O-N 2.8Å; T480-R483 WeakPolarHBondContact O-CB 3.36Å; T480-R502 HydrophobicContact CG2-CG 4.19Å; T480-R502 PolarHBondContact OG1-NH2 3.1Å
481	H	81.3	Confident	79.4	Confident	19 Å²	19	66.7 Å²	66.7	9%	0.088	35%	0.35	C	S	.	.	H	α-helix	trans	-73	-38	176.5	171.4	73	0	0	0	111.9	C468 F472 N477 L478 T479 R483 I484 H485	C468-H481 PolarHBondContact SG-NE2 3.09Å; F472-H481 HydrophobicContact CE1-CB 3.96Å; F472-H481 HydrophobicContact CE2-CB 3.81Å; F472-H481 AromaticContact CE2-CD2 3.4Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.46Å; F472-H481 AromaticContact CE2-CG 3.54Å; F472-H481 HydrophobicContact CZ-CB 3.42Å; F472-H481 VanDerWaalsContact CZ-CB 3.42Å; F472-H481 AromaticContact CZ-CD2 3.46Å; F472-H481 VanDerWaalsContact CZ-CD2 3.46Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.23Å; F472-H481 AromaticContact CZ-CG 3.14Å; F472-H481 AromaticContact CZ-ND1 3.53Å; F472-H481 AromaticContact CZ-NE2 3.98Å; N477-H481 WeakPolarHBondContact O-CB 2.91Å; N477-H481 PolarHBondContact O-N 3.11Å; L478-H481 WeakPolarHBondContact O-CB 3.23Å; L478-H481 PolarHBondContact O-N 3.05Å; T479-H481 VanDerWaalsContact C-N 3.33Å; H481-R483 PolarHBondContact O-N 3.08Å; H481-R483 VanDerWaalsContact O-N 3.09Å; H481-I484 VanDerWaalsContact O-CB 3.29Å; H481-I484 WeakPolarHBondContact O-CB 3.23Å; H481-I484 WeakPolarHBondContact O-CG1 3.32Å; H481-I484 PolarHBondContact O-N 3.1Å; H481-H485 AromaticContact CD2-NE2 3.82Å; H481-H485 AromaticContact CE1-NE2 3.77Å; H481-H485 AromaticContact NE2-CD2 4Å; H481-H485 AromaticContact NE2-CE1 3.89Å; H481-H485 AromaticContact NE2-NE2 3.1Å; H481-H485 PolarHBondContact NE2-NE2 3Å
482	K	78.7	Confident	79.1	Confident	84 Å²	84	71.7 Å²	71.7	37%	0.365	37%	0.366	S	S	.	.	H	α-helix	trans	-55.1	-28.6	175.5	-74.8	-167.7	173.5	-161	0	112.2	E466 L478 I484 H485 T486	E466-K482 IonicContact OE2-NZ 3.02Å; E466-K482 PolarHBondContact OE2-NZ 3.12Å; L478-K482 HydrophobicContact CD1-CG 4.23Å; L478-K482 PolarHBondContact O-N 2.85Å; K482-I484 PolarHBondContact O-N 3.28Å; K482-H485 PolarHBondContact O-N 3.13Å; K482-H485 VanDerWaalsContact O-N 3.13Å; K482-T486 PolarHBondContact O-N 3.21Å; K482-T486 PolarHBondContact O-OG1 3.3Å
483	R	80.6	Confident	79.1	Confident	58 Å²	58	69.8 Å²	69.8	22%	0.219	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-15.6	174.5	-60.8	179.9	-180	172.9	-3.1	114.9	T480 H481 T486 A487 E488 S501	T480-R483 WeakPolarHBondContact O-CB 3.36Å; H481-R483 PolarHBondContact O-N 3.08Å; H481-R483 VanDerWaalsContact O-N 3.09Å; R483-T486 WeakPolarHBondContact CA-OG1 3.29Å; R483-A487 WeakPolarHBondContact O-CA 3.1Å; R483-A487 PolarHBondContact O-N 2.79Å; R483-E488 PolarHBondContact O-N 3.36Å; R483-S501 WeakPolarHBondContact CD-O 3.42Å; R483-S501 PolarHBondContact NH1-O 3.5Å
484	I	75.2	Confident	79	Confident	118 Å²	118	75.5 Å²	75.5	61%	0.605	38%	0.383	S	S	*	.	H	α-helix	trans	-73.7	-38.5	173.2	-59.3	177.5	0	0	0	109.9	H481 K482	H481-I484 VanDerWaalsContact O-CB 3.29Å; H481-I484 WeakPolarHBondContact O-CB 3.23Å; H481-I484 WeakPolarHBondContact O-CG1 3.32Å; H481-I484 PolarHBondContact O-N 3.1Å; K482-I484 PolarHBondContact O-N 3.28Å
485	H	74	Confident	78.7	Confident	73 Å²	73	78.3 Å²	78.3	34%	0.338	40%	0.396	S	S	.	.	H	α-helix	trans	-75.3	-37.2	-179.5	-58.3	-51.1	0	0	0	112.4	C465 V467 C468 H481 K482 A487	C465-H485 VanDerWaalsContact SG-CD2 3.59Å; C465-H485 PolarHBondContact SG-NE2 3.23Å; V467-H485 HydrophobicContact CG1-CB 4.14Å; C468-H485 VanDerWaalsContact SG-CE1 3.56Å; C468-H485 PolarHBondContact SG-NE2 3.01Å; H481-H485 AromaticContact CD2-NE2 3.82Å; H481-H485 AromaticContact CE1-NE2 3.77Å; H481-H485 AromaticContact NE2-CD2 4Å; H481-H485 AromaticContact NE2-CE1 3.89Å; H481-H485 AromaticContact NE2-NE2 3.1Å; H481-H485 PolarHBondContact NE2-NE2 3Å; K482-H485 PolarHBondContact O-N 3.13Å; K482-H485 VanDerWaalsContact O-N 3.13Å; H485-A487 VanDerWaalsContact C-N 3.26Å; H485-A487 PolarHBondContact O-N 3.29Å
486	T	70.3	Confident	78.7	Confident	78 Å²	78	74.9 Å²	74.9	48%	0.479	39%	0.387	S	S	.	.	S	Bend	trans	-83.9	-2.5	177.6	60.4	0	0	0	0	113.2	K482 R483 E488	K482-T486 PolarHBondContact O-N 3.21Å; K482-T486 PolarHBondContact O-OG1 3.3Å; R483-T486 WeakPolarHBondContact CA-OG1 3.29Å; T486-E488 PolarHBondContact O-N 3.43Å; T486-E488 WeakPolarHBondContact OG1-CG 3.34Å
487	A	70.2	Confident	78.6	Confident	77 Å²	77	74.7 Å²	74.7	64%	0.636	39%	0.394	S	S	*	.			trans	50.7	15.3	-170.5	0	0	0	0	0	114.8	R483 H485 K489	R483-A487 WeakPolarHBondContact O-CA 3.1Å; R483-A487 PolarHBondContact O-N 2.79Å; H485-A487 VanDerWaalsContact C-N 3.26Å; H485-A487 PolarHBondContact O-N 3.29Å; A487-K489 PolarHBondContact O-N 3.08Å
488	E	73.9	Confident	78.5	Confident	106 Å²	106	78.5 Å²	78.5	50%	0.495	41%	0.409	S	S	.	.			trans	-66.3	118.7	-178.4	-76.8	176.5	-168.9	0	0	110.4	R483 T486 P490	R483-E488 PolarHBondContact O-N 3.36Å; T486-E488 PolarHBondContact O-N 3.43Å; T486-E488 WeakPolarHBondContact OG1-CG 3.34Å; E488-P490 VanDerWaalsContact C-CD 3.49Å; E488-P490 WeakPolarHBondContact O-CD 3.44Å
489	K	77.9	Confident	78.5	Confident	123 Å²	123	79.3 Å²	79.3	54%	0.535	42%	0.417	S	S	.	.			trans	-119.5	76.9	171.7	-67.8	170.8	175.4	179.8	0	109.2	A487 Y491 A499 F500	A487-K489 PolarHBondContact O-N 3.08Å; K489-Y491 PolarHBondContact O-N 3.39Å; K489-Y491 VanDerWaalsContact O-N 3.14Å; K489-A499 HydrophobicContact CB-CB 3.47Å; K489-A499 VanDerWaalsContact CB-CB 3.47Å; K489-A499 HydrophobicContact CD-CB 3.96Å; K489-A499 WeakPolarHBondContact CD-O 3.4Å; K489-A499 HydrophobicContact CG-CB 4.34Å; K489-F500 CarbonylContact C-O 3.56Å; K489-F500 WeakPolarHBondContact CA-O 3.31Å
490	P	81	Confident	78.6	Confident	74 Å²	74	78.8 Å²	78.8	48%	0.481	41%	0.41	S	S	.	.			trans	-66.8	-18.3	-171.1	-20.3	33.6	0	0	0	113.7	E488	E488-P490 VanDerWaalsContact C-CD 3.49Å; E488-P490 WeakPolarHBondContact O-CD 3.44Å
491	Y	82.1	Confident	78.7	Confident	73 Å²	73	79.3 Å²	79.3	29%	0.286	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	89.8	-173	-53.6	-75	0	0	0	109.8	K489 A499 F500 S503	K489-Y491 PolarHBondContact O-N 3.39Å; K489-Y491 VanDerWaalsContact O-N 3.14Å; Y491-A499 CarbonylContact O-C 3.37Å; Y491-F500 WeakPolarHBondContact CD2-O 3.37Å; Y491-F500 PolarHBondContact N-O 3.02Å; Y491-F500 PolarHBondContact O-N 2.8Å; Y491-S503 VanDerWaalsContact CD2-N 3.27Å; Y491-S503 VanDerWaalsContact CE2-N 3.32Å
492	K	80	Confident	78.7	Confident	137 Å²	137	82.9 Å²	82.9	60%	0.596	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.8	176.5	-64.6	-175.9	179.5	179.7	0	111.1	A499 L506	K492-A499 HydrophobicContact CG-CB 3.82Å; K492-L506 WeakPolarHBondContact O-CD2 3.24Å
493	C	85.4	Confident	78.7	Confident	1 Å²	1	81.8 Å²	81.8	1%	0.007	43%	0.43	C	S	.	.			trans	-90.5	115.1	169.9	-169.7	0	0	0	0	109	E495 C496 G497 K498 F500 L506 H509 H513	C493-E495 PolarHBondContact O-N 3.18Å; C493-C496 PolarHBondContact O-N 2.78Å; C493-G497 VanDerWaalsContact O-CA 3.28Å; C493-G497 WeakPolarHBondContact O-CA 3.24Å; C493-G497 PolarHBondContact O-N 2.86Å; C493-K498 WeakPolarHBondContact CB-O 3.44Å; C493-K498 PolarHBondContact N-O 3.3Å; C493-F500 HydrophobicContact CB-CE2 4.38Å; C493-L506 HydrophobicContact CB-CD1 3.58Å; C493-H509 VanDerWaalsContact SG-CD2 3.56Å; C493-H513 PolarHBondContact SG-CD2 3.14Å; C493-H513 PolarHBondContact SG-NE2 2.92Å
494	E	79.9	Confident	78.6	Confident	163 Å²	163	81.8 Å²	81.8	76%	0.762	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-34	179.5	-56.5	-53	139	0	0	112.4
495	E	77.1	Confident	79	Confident	130 Å²	130	79.1 Å²	79.1	61%	0.607	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-21.1	-175.5	-69.9	162.5	-157	0	0	115.2	C493 H513	C493-E495 PolarHBondContact O-N 3.18Å; E495-H513 WeakPolarHBondContact OE2-CB 3.41Å; E495-H513 IonicContact OE2-CD2 3.14Å; E495-H513 PolarHBondContact OE2-CD2 3.28Å; E495-H513 IonicContact OE2-CG 2.67Å
496	C	79.5	Confident	79.4	Confident	53 Å²	53	76.5 Å²	76.5	36%	0.358	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	8.1	-177.4	75.3	0	0	0	0	114.6	C493 K498 H509 H513	C493-C496 PolarHBondContact O-N 2.78Å; C496-K498 PolarHBondContact O-N 3.46Å; C496-H509 PolarHBondContact SG-NE2 2.78Å; C496-H513 VanDerWaalsContact CB-CE1 3.46Å; C496-H513 WeakPolarHBondContact CB-CE1 3.35Å; C496-H513 PolarHBondContact SG-CE1 3.32Å; C496-H513 PolarHBondContact SG-NE2 3.08Å
497	G	78.1	Confident	79.8	Confident	58 Å²	58	76.9 Å²	76.9	60%	0.598	42%	0.417	S	S	*	.			trans	67.9	-5.6	-178.7	0	0	0	0	0	115.7	C493 A499	C493-G497 VanDerWaalsContact O-CA 3.28Å; C493-G497 WeakPolarHBondContact O-CA 3.24Å; C493-G497 PolarHBondContact O-N 2.86Å; G497-A499 PolarHBondContact O-N 3.34Å
498	K	81.2	Confident	80.2	Confident	130 Å²	130	79.2 Å²	79.2	57%	0.565	41%	0.413	S	S	*	.			trans	-66.8	126.1	-177.4	-74.5	-177.6	178.7	173.8	0	111.4	C493 C496 F500	C493-K498 WeakPolarHBondContact CB-O 3.44Å; C493-K498 PolarHBondContact N-O 3.3Å; C496-K498 PolarHBondContact O-N 3.46Å; K498-F500 HydrophobicContact CB-CE2 3.94Å; K498-F500 HydrophobicContact CB-CZ 3.99Å; K498-F500 VanDerWaalsContact O-CE2 3.29Å; K498-F500 WeakPolarHBondContact O-CE2 3.32Å
499	A	84.1	Confident	80.4	Confident	28 Å²	28	75 Å²	75	23%	0.231	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.3	-179.2	0	0	0	0	0	112.1	K489 Y491 K492 G497	K489-A499 HydrophobicContact CB-CB 3.47Å; K489-A499 VanDerWaalsContact CB-CB 3.47Å; K489-A499 HydrophobicContact CD-CB 3.96Å; K489-A499 WeakPolarHBondContact CD-O 3.4Å; K489-A499 HydrophobicContact CG-CB 4.34Å; Y491-A499 CarbonylContact O-C 3.37Å; K492-A499 HydrophobicContact CG-CB 3.82Å; G497-A499 PolarHBondContact O-N 3.34Å
500	F	82.7	Confident	80.3	Confident	44 Å²	44	73.5 Å²	73.5	19%	0.193	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.7	-177.5	-58.5	-87.6	0	0	0	111.3	K489 Y491 C493 K498 R502 N505 L506 H509	K489-F500 CarbonylContact C-O 3.56Å; K489-F500 WeakPolarHBondContact CA-O 3.31Å; Y491-F500 WeakPolarHBondContact CD2-O 3.37Å; Y491-F500 PolarHBondContact N-O 3.02Å; Y491-F500 PolarHBondContact O-N 2.8Å; C493-F500 HydrophobicContact CB-CE2 4.38Å; K498-F500 HydrophobicContact CB-CE2 3.94Å; K498-F500 HydrophobicContact CB-CZ 3.99Å; K498-F500 VanDerWaalsContact O-CE2 3.29Å; K498-F500 WeakPolarHBondContact O-CE2 3.32Å; F500-R502 VanDerWaalsContact C-N 3.34Å; F500-N505 HydrophobicContact CB-CB 4.28Å; F500-N505 HydrophobicContact CD1-CB 4.03Å; F500-N505 HydrophobicContact CG-CB 4.36Å; F500-L506 HydrophobicContact CB-CB 4.41Å; F500-L506 HydrophobicContact CD2-CB 3.93Å; F500-L506 HydrophobicContact CD2-CD1 3.79Å; F500-L506 HydrophobicContact CD2-CG 4.47Å; F500-L506 HydrophobicContact CE2-CD1 3.97Å; F500-L506 HydrophobicContact CG-CB 4.37Å; F500-H509 HydrophobicContact CE1-CB 4.05Å; F500-H509 HydrophobicContact CE2-CB 3.75Å; F500-H509 AromaticContact CE2-CD2 3.35Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.34Å; F500-H509 AromaticContact CE2-CG 3.49Å; F500-H509 VanDerWaalsContact CE2-CG 3.49Å; F500-H509 AromaticContact CE2-NE2 4Å; F500-H509 HydrophobicContact CZ-CB 3.44Å; F500-H509 VanDerWaalsContact CZ-CB 3.44Å; F500-H509 AromaticContact CZ-CD2 3.49Å; F500-H509 VanDerWaalsContact CZ-CD2 3.49Å; F500-H509 WeakPolarHBondContact CZ-CD2 3.49Å; F500-H509 AromaticContact CZ-CE1 4Å; F500-H509 AromaticContact CZ-CG 3.17Å; F500-H509 AromaticContact CZ-ND1 3.53Å; F500-H509 AromaticContact CZ-NE2 3.97Å
501	S	79.5	Confident	79.9	Confident	39 Å²	39	74.6 Å²	74.6	27%	0.273	38%	0.384	S	S	.	.	S	Bend	trans	-80.3	-13.3	176.9	58.3	0	0	0	0	113.7	R483	R483-S501 WeakPolarHBondContact CD-O 3.42Å; R483-S501 PolarHBondContact NH1-O 3.5Å
502	R	80.4	Confident	79.3	Confident	94 Å²	94	74.9 Å²	74.9	36%	0.355	39%	0.389	S	S	.	.	S	Bend	trans	-135.4	138.7	179.9	-65	-178.8	177.9	-179	-4	110.9	T480 F500 S504 N505 L506	T480-R502 HydrophobicContact CG2-CG 4.19Å; T480-R502 PolarHBondContact OG1-NH2 3.1Å; F500-R502 VanDerWaalsContact C-N 3.34Å; R502-S504 VanDerWaalsContact C-N 3.34Å; R502-S504 PolarHBondContact O-N 3.39Å; R502-N505 HydrophobicContact CB-CB 4.45Å; R502-N505 WeakPolarHBondContact O-CB 3.35Å; R502-N505 PolarHBondContact O-N 3.24Å; R502-L506 PolarHBondContact O-N 2.67Å
503	S	79.4	Confident	78.8	Confident	60 Å²	60	71 Å²	71	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-39.9	178	55.4	0	0	0	0	112.5	Y491 N505 L506 T507	Y491-S503 VanDerWaalsContact CD2-N 3.27Å; Y491-S503 VanDerWaalsContact CE2-N 3.32Å; S503-N505 PolarHBondContact O-N 3.35Å; S503-L506 CarbonylContact O-C 3.56Å; S503-L506 WeakPolarHBondContact O-CA 3.29Å; S503-L506 WeakPolarHBondContact O-CB 3.41Å; S503-L506 PolarHBondContact O-N 3.12Å; S503-L506 VanDerWaalsContact O-N 3.07Å; S503-T507 PolarHBondContact O-N 3.31Å; S503-T507 PolarHBondContact O-OG1 3.38Å; S503-T507 VanDerWaalsContact O-OG1 3.07Å
504	S	79.8	Confident	77.8	Confident	59 Å²	59	75.5 Å²	75.5	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-31.2	177.5	56.5	0	0	0	0	113.3	R502 K508	R502-S504 VanDerWaalsContact C-N 3.34Å; R502-S504 PolarHBondContact O-N 3.39Å; S504-K508 WeakPolarHBondContact O-CG 3.42Å; S504-K508 PolarHBondContact O-N 3.08Å
505	N	82.4	Confident	76.7	Confident	61 Å²	61	76.2 Å²	76.2	33%	0.326	40%	0.4	S	S	.	.	H	α-helix	trans	-73.6	-40.1	174.6	-70	-11.7	0	0	0	111.1	F500 R502 S503 K508 H509	F500-N505 HydrophobicContact CB-CB 4.28Å; F500-N505 HydrophobicContact CD1-CB 4.03Å; F500-N505 HydrophobicContact CG-CB 4.36Å; R502-N505 HydrophobicContact CB-CB 4.45Å; R502-N505 WeakPolarHBondContact O-CB 3.35Å; R502-N505 PolarHBondContact O-N 3.24Å; S503-N505 PolarHBondContact O-N 3.35Å; N505-K508 PolarHBondContact O-N 2.98Å; N505-H509 VanDerWaalsContact O-CB 3.25Å; N505-H509 WeakPolarHBondContact O-CB 3.24Å; N505-H509 PolarHBondContact O-N 3.18Å
506	L	82.2	Confident	75.8	Confident	19 Å²	19	78.2 Å²	78.2	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-60.6	-45.1	171	175.4	63.7	0	0	0	110.9	K492 C493 F500 R502 S503 K508 H509 K510	K492-L506 WeakPolarHBondContact O-CD2 3.24Å; C493-L506 HydrophobicContact CB-CD1 3.58Å; F500-L506 HydrophobicContact CB-CB 4.41Å; F500-L506 HydrophobicContact CD2-CB 3.93Å; F500-L506 HydrophobicContact CD2-CD1 3.79Å; F500-L506 HydrophobicContact CD2-CG 4.47Å; F500-L506 HydrophobicContact CE2-CD1 3.97Å; F500-L506 HydrophobicContact CG-CB 4.37Å; R502-L506 PolarHBondContact O-N 2.67Å; S503-L506 CarbonylContact O-C 3.56Å; S503-L506 WeakPolarHBondContact O-CA 3.29Å; S503-L506 WeakPolarHBondContact O-CB 3.41Å; S503-L506 PolarHBondContact O-N 3.12Å; S503-L506 VanDerWaalsContact O-N 3.07Å; L506-K508 VanDerWaalsContact C-N 3.33Å; L506-K508 PolarHBondContact O-N 3.05Å; L506-H509 CarbonylContact O-C 3.55Å; L506-H509 WeakPolarHBondContact O-CA 3.46Å; L506-H509 WeakPolarHBondContact O-CB 3.29Å; L506-H509 PolarHBondContact O-N 2.8Å; L506-H509 VanDerWaalsContact O-N 3.08Å; L506-K510 HydrophobicContact CD1-CG 4.15Å; L506-K510 HydrophobicContact CG-CG 4.4Å; L506-K510 WeakPolarHBondContact O-CG 3.35Å; L506-K510 PolarHBondContact O-N 3.33Å
507	T	78.9	Confident	75.4	Confident	85 Å²	85	80.7 Å²	80.7	52%	0.521	41%	0.411	S	S	.	.	H	α-helix	trans	-59.7	-41.9	176.4	-51.1	0	0	0	0	111.9	S503 H509	S503-T507 PolarHBondContact O-N 3.31Å; S503-T507 PolarHBondContact O-OG1 3.38Å; S503-T507 VanDerWaalsContact O-OG1 3.07Å; T507-H509 VanDerWaalsContact C-N 3.33Å
508	K	77.8	Confident	75.2	Confident	126 Å²	126	82 Å²	82	55%	0.548	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-38.2	173.7	-74.2	175.6	-178.2	-177	0	112.1	S504 N505 L506 K511	S504-K508 WeakPolarHBondContact O-CG 3.42Å; S504-K508 PolarHBondContact O-N 3.08Å; N505-K508 PolarHBondContact O-N 2.98Å; L506-K508 VanDerWaalsContact C-N 3.33Å; L506-K508 PolarHBondContact O-N 3.05Å; K508-K511 WeakPolarHBondContact O-CB 3.28Å; K508-K511 PolarHBondContact O-N 2.89Å
509	H	79.3	Confident	75.1	Confident	18 Å²	18	79.8 Å²	79.8	8%	0.083	40%	0.398	C	S	.	.	H	α-helix	trans	-69.5	-40.1	178.8	174	71.8	0	0	0	112.7	C493 C496 F500 N505 L506 T507 K511 I512 H513	C493-H509 VanDerWaalsContact SG-CD2 3.56Å; C496-H509 PolarHBondContact SG-NE2 2.78Å; F500-H509 HydrophobicContact CE1-CB 4.05Å; F500-H509 HydrophobicContact CE2-CB 3.75Å; F500-H509 AromaticContact CE2-CD2 3.35Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.34Å; F500-H509 AromaticContact CE2-CG 3.49Å; F500-H509 VanDerWaalsContact CE2-CG 3.49Å; F500-H509 AromaticContact CE2-NE2 4Å; F500-H509 HydrophobicContact CZ-CB 3.44Å; F500-H509 VanDerWaalsContact CZ-CB 3.44Å; F500-H509 AromaticContact CZ-CD2 3.49Å; F500-H509 VanDerWaalsContact CZ-CD2 3.49Å; F500-H509 WeakPolarHBondContact CZ-CD2 3.49Å; F500-H509 AromaticContact CZ-CE1 4Å; F500-H509 AromaticContact CZ-CG 3.17Å; F500-H509 AromaticContact CZ-ND1 3.53Å; F500-H509 AromaticContact CZ-NE2 3.97Å; N505-H509 VanDerWaalsContact O-CB 3.25Å; N505-H509 WeakPolarHBondContact O-CB 3.24Å; N505-H509 PolarHBondContact O-N 3.18Å; L506-H509 CarbonylContact O-C 3.55Å; L506-H509 WeakPolarHBondContact O-CA 3.46Å; L506-H509 WeakPolarHBondContact O-CB 3.29Å; L506-H509 PolarHBondContact O-N 2.8Å; L506-H509 VanDerWaalsContact O-N 3.08Å; T507-H509 VanDerWaalsContact C-N 3.33Å; H509-K511 PolarHBondContact O-N 3.44Å; H509-K511 VanDerWaalsContact O-N 3.16Å; H509-I512 WeakPolarHBondContact O-CA 3.22Å; H509-I512 WeakPolarHBondContact O-CB 3.36Å; H509-I512 WeakPolarHBondContact O-CG1 3.44Å; H509-I512 PolarHBondContact O-N 2.85Å; H509-H513 AromaticContact CD2-NE2 3.75Å; H509-H513 AromaticContact CE1-CE1 3.95Å; H509-H513 AromaticContact CE1-NE2 3.74Å; H509-H513 AromaticContact NE2-CD2 3.99Å; H509-H513 AromaticContact NE2-CE1 3.67Å; H509-H513 AromaticContact NE2-NE2 3.07Å; H509-H513 PolarHBondContact NE2-NE2 3.24Å
510	K	75.4	Confident	74.9	Confident	91 Å²	91	84.8 Å²	84.8	40%	0.396	41%	0.414	S	S	.	.	H	α-helix	trans	-57.2	-29.8	174.7	-73.9	-169.9	174.6	-161.4	0	112.4	L506 I512 H513 I514	L506-K510 HydrophobicContact CD1-CG 4.15Å; L506-K510 HydrophobicContact CG-CG 4.4Å; L506-K510 WeakPolarHBondContact O-CG 3.35Å; L506-K510 PolarHBondContact O-N 3.33Å; K510-I512 PolarHBondContact O-N 3.31Å; K510-I512 VanDerWaalsContact O-N 3.17Å; K510-H513 PolarHBondContact O-N 3.24Å; K510-I514 PolarHBondContact O-N 2.97Å
511	K	73.6	Confident	75	Confident	98 Å²	98	82.8 Å²	82.8	43%	0.426	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-9.4	172.4	-60.5	-176.8	179.9	-167.3	0	114.2	K508 H509	K508-K511 WeakPolarHBondContact O-CB 3.28Å; K508-K511 PolarHBondContact O-N 2.89Å; H509-K511 PolarHBondContact O-N 3.44Å; H509-K511 VanDerWaalsContact O-N 3.16Å
512	I	69.6	Low	75.1	Confident	78 Å²	78	88.9 Å²	88.9	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-80.8	-35.8	175.5	-59.7	177.6	0	0	0	110.5	H509 K510 K529	H509-I512 WeakPolarHBondContact O-CA 3.22Å; H509-I512 WeakPolarHBondContact O-CB 3.36Å; H509-I512 WeakPolarHBondContact O-CG1 3.44Å; H509-I512 PolarHBondContact O-N 2.85Å; K510-I512 PolarHBondContact O-N 3.31Å; K510-I512 VanDerWaalsContact O-N 3.17Å; I512-K529 PolarHBondContact O-NZ 3.15Å
513	H	68.8	Low	75.1	Confident	57 Å²	57	90.3 Å²	90.3	26%	0.264	44%	0.441	S	S	.	.	H	α-helix	trans	-79.6	-22.9	-179.2	-58.8	-45.6	0	0	0	113.7	C493 E495 C496 H509 K510 E515	C493-H513 PolarHBondContact SG-CD2 3.14Å; C493-H513 PolarHBondContact SG-NE2 2.92Å; E495-H513 WeakPolarHBondContact OE2-CB 3.41Å; E495-H513 IonicContact OE2-CD2 3.14Å; E495-H513 PolarHBondContact OE2-CD2 3.28Å; E495-H513 IonicContact OE2-CG 2.67Å; C496-H513 VanDerWaalsContact CB-CE1 3.46Å; C496-H513 WeakPolarHBondContact CB-CE1 3.35Å; C496-H513 PolarHBondContact SG-CE1 3.32Å; C496-H513 PolarHBondContact SG-NE2 3.08Å; H509-H513 AromaticContact CD2-NE2 3.75Å; H509-H513 AromaticContact CE1-CE1 3.95Å; H509-H513 AromaticContact CE1-NE2 3.74Å; H509-H513 AromaticContact NE2-CD2 3.99Å; H509-H513 AromaticContact NE2-CE1 3.67Å; H509-H513 AromaticContact NE2-NE2 3.07Å; H509-H513 PolarHBondContact NE2-NE2 3.24Å; K510-H513 PolarHBondContact O-N 3.24Å; H513-E515 VanDerWaalsContact C-N 3.34Å; H513-E515 PolarHBondContact O-N 3.37Å
514	I	64.8	Low	75.1	Confident	94 Å²	94	89.9 Å²	89.9	48%	0.482	44%	0.437	S	S	.	.			trans	-67.4	97.7	164.9	-57.7	171.7	0	0	0	106.9	K510 K516	K510-I514 PolarHBondContact O-N 2.97Å; I514-K516 HydrophobicContact CG2-CB 4Å; I514-K516 PolarHBondContact O-N 3.45Å; I514-K516 VanDerWaalsContact O-N 3.15Å
515	E	56.2	Low	75.1	Confident	179 Å²	179	89.7 Å²	89.7	84%	0.836	44%	0.444	S	S	*	.			trans	-60.6	-20.9	179.1	-68	-170.4	153.4	0	0	112.7	H513 K517	H513-E515 VanDerWaalsContact C-N 3.34Å; H513-E515 PolarHBondContact O-N 3.37Å; E515-K517 PolarHBondContact O-N 3.02Å
516	K	57.6	Low	74.9	Confident	172 Å²	172	92.9 Å²	92.9	75%	0.748	46%	0.455	S	S	*	.			trans	-68.8	102.7	171.6	-62.6	-174.2	179.9	-177.9	0	109.3	I514 P518	I514-K516 HydrophobicContact CG2-CB 4Å; I514-K516 PolarHBondContact O-N 3.45Å; I514-K516 VanDerWaalsContact O-N 3.15Å; K516-P518 WeakPolarHBondContact O-CD 3.49Å; K516-P518 WeakPolarHBondContact O-CG 3.49Å
517	K	71.3	Confident	74.9	Confident	104 Å²	104	93.1 Å²	93.1	45%	0.452	46%	0.46	S	S	.	.			trans	-66.8	96.7	161.5	-75.6	157.8	161.2	-167.5	0	107.9	E515 Y519 A527 F528 K529	E515-K517 PolarHBondContact O-N 3.02Å; K517-Y519 PolarHBondContact O-N 3.49Å; K517-A527 HydrophobicContact CB-CB 3.38Å; K517-A527 HydrophobicContact CD-CB 3.86Å; K517-A527 WeakPolarHBondContact CD-O 3.25Å; K517-A527 WeakPolarHBondContact CE-O 3.44Å; K517-A527 HydrophobicContact CG-CB 4.23Å; K517-F528 CarbonylContact C-O 3.31Å; K517-F528 WeakPolarHBondContact CA-O 3.15Å; K517-K529 HydrophobicContact CG-CG 4.06Å
518	P	75.1	Confident	75	Confident	86 Å²	86	91.2 Å²	91.2	56%	0.558	45%	0.445	S	S	*	.			trans	-73	-18.4	-164.9	-13.3	30.1	0	0	0	112.6	K516 F528	K516-P518 WeakPolarHBondContact O-CD 3.49Å; K516-P518 WeakPolarHBondContact O-CG 3.49Å; P518-F528 WeakPolarHBondContact CD-O 3.47Å
519	Y	78.8	Confident	74.9	Confident	84 Å²	84	88.8 Å²	88.8	33%	0.329	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	91.9	-171.7	-54.4	-75.1	0	0	0	108.7	K517 A527 F528 K529 S531	K517-Y519 PolarHBondContact O-N 3.49Å; Y519-A527 CarbonylContact O-C 3.54Å; Y519-A527 WeakPolarHBondContact O-CA 3.37Å; Y519-F528 PolarHBondContact N-O 2.8Å; Y519-F528 PolarHBondContact O-N 3.44Å; Y519-K529 WeakPolarHBondContact CE2-O 3.33Å; Y519-S531 VanDerWaalsContact CD2-N 3.31Å
520	K	79.8	Confident	74.8	Confident	133 Å²	133	93.3 Å²	93.3	58%	0.578	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.8	177	-63.4	-173.5	177.5	179.9	0	110.7	A527 L534	K520-A527 HydrophobicContact CG-CB 3.82Å; K520-L534 VanDerWaalsContact O-CD2 3.29Å; K520-L534 WeakPolarHBondContact O-CD2 3.26Å
521	C	85.4	Confident	74.8	Confident	2 Å²	2	92 Å²	92	1%	0.014	45%	0.452	C	S	.	.			trans	-85.9	121	167.4	179.6	0	0	0	0	108.4	E523 G525 K526 F528 L534	C521-E523 VanDerWaalsContact C-N 3.27Å; C521-E523 PolarHBondContact O-N 2.84Å; C521-G525 WeakPolarHBondContact O-CA 3.5Å; C521-G525 PolarHBondContact O-N 2.79Å; C521-K526 WeakPolarHBondContact CB-O 3.46Å; C521-K526 PolarHBondContact N-O 2.79Å; C521-F528 HydrophobicContact CB-CE2 4.44Å; C521-L534 HydrophobicContact CB-CD1 3.62Å
522	E	80.7	Confident	75	Confident	167 Å²	167	90.7 Å²	90.7	78%	0.78	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.1	179.3	-56.5	-53.4	141.5	0	0	112.2
523	E	79.6	Confident	75.5	Confident	124 Å²	124	90.8 Å²	90.8	58%	0.579	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-28.6	-175.7	-68.2	167.1	165.6	0	0	114.1	C521 H541	C521-E523 VanDerWaalsContact C-N 3.27Å; C521-E523 PolarHBondContact O-N 2.84Å; E523-H541 WeakPolarHBondContact OE2-CB 3.43Å; E523-H541 IonicContact OE2-CD2 3.38Å; E523-H541 PolarHBondContact OE2-CD2 3.43Å; E523-H541 IonicContact OE2-CG 3.09Å; E523-H541 IonicContact OE2-ND1 3.01Å
524	C	81.1	Confident	76.1	Confident	51 Å²	51	89 Å²	89	35%	0.345	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	8.3	-179.4	73.3	0	0	0	0	115	K526 H537 H541	C524-K526 PolarHBondContact O-N 2.96Å; C524-H537 PolarHBondContact SG-NE2 3.2Å; C524-H541 VanDerWaalsContact SG-CE1 3.6Å; C524-H541 PolarHBondContact SG-NE2 3.02Å
525	G	78.8	Confident	76.7	Confident	55 Å²	55	88.8 Å²	88.8	57%	0.567	45%	0.449	S	S	*	.			trans	67.5	-2.6	179.9	0	0	0	0	0	115.2	C521 A527	C521-G525 WeakPolarHBondContact O-CA 3.5Å; C521-G525 PolarHBondContact O-N 2.79Å; G525-A527 PolarHBondContact O-N 3.32Å
526	K	79.4	Confident	77.7	Confident	128 Å²	128	83.3 Å²	83.3	56%	0.557	42%	0.423	S	S	*	.			trans	-67	127.4	-178.6	-75.2	179	-176.8	167.5	0	110.8	C521 C524 F528	C521-K526 WeakPolarHBondContact CB-O 3.46Å; C521-K526 PolarHBondContact N-O 2.79Å; C524-K526 PolarHBondContact O-N 2.96Å; K526-F528 HydrophobicContact CB-CE2 3.84Å; K526-F528 HydrophobicContact CB-CZ 4.05Å; K526-F528 WeakPolarHBondContact O-CD2 3.44Å; K526-F528 VanDerWaalsContact O-CE2 3.28Å; K526-F528 WeakPolarHBondContact O-CE2 3.35Å
527	A	81.8	Confident	78.8	Confident	23 Å²	23	76.1 Å²	76.1	19%	0.19	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.4	-178.4	0	0	0	0	0	112	K517 Y519 K520 G525	K517-A527 HydrophobicContact CB-CB 3.38Å; K517-A527 HydrophobicContact CD-CB 3.86Å; K517-A527 WeakPolarHBondContact CD-O 3.25Å; K517-A527 WeakPolarHBondContact CE-O 3.44Å; K517-A527 HydrophobicContact CG-CB 4.23Å; Y519-A527 CarbonylContact O-C 3.54Å; Y519-A527 WeakPolarHBondContact O-CA 3.37Å; K520-A527 HydrophobicContact CG-CB 3.82Å; G525-A527 PolarHBondContact O-N 3.32Å
528	F	80.9	Confident	79.2	Confident	46 Å²	46	75.9 Å²	75.9	20%	0.202	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.6	-176.3	-60.1	-91.7	0	0	0	111.3	K517 P518 Y519 C521 K526 K533 L534 H537	K517-F528 CarbonylContact C-O 3.31Å; K517-F528 WeakPolarHBondContact CA-O 3.15Å; P518-F528 WeakPolarHBondContact CD-O 3.47Å; Y519-F528 PolarHBondContact N-O 2.8Å; Y519-F528 PolarHBondContact O-N 3.44Å; C521-F528 HydrophobicContact CB-CE2 4.44Å; K526-F528 HydrophobicContact CB-CE2 3.84Å; K526-F528 HydrophobicContact CB-CZ 4.05Å; K526-F528 WeakPolarHBondContact O-CD2 3.44Å; K526-F528 VanDerWaalsContact O-CE2 3.28Å; K526-F528 WeakPolarHBondContact O-CE2 3.35Å; F528-K533 HydrophobicContact CB-CB 4.32Å; F528-K533 HydrophobicContact CD1-CB 4.03Å; F528-K533 HydrophobicContact CG-CB 4.44Å; F528-L534 HydrophobicContact CB-CB 4.36Å; F528-L534 HydrophobicContact CD2-CB 4.05Å; F528-L534 HydrophobicContact CD2-CD1 3.81Å; F528-L534 HydrophobicContact CE2-CD1 4.07Å; F528-L534 HydrophobicContact CG-CB 4.38Å; F528-H537 HydrophobicContact CE1-CB 3.95Å; F528-H537 HydrophobicContact CE2-CB 3.86Å; F528-H537 AromaticContact CE2-CD2 3.15Å; F528-H537 WeakPolarHBondContact CE2-CD2 3.5Å; F528-H537 AromaticContact CE2-CG 3.59Å; F528-H537 AromaticContact CE2-NE2 3.81Å; F528-H537 HydrophobicContact CZ-CB 3.44Å; F528-H537 VanDerWaalsContact CZ-CB 3.44Å; F528-H537 AromaticContact CZ-CD2 3.26Å; F528-H537 WeakPolarHBondContact CZ-CD2 3.47Å; F528-H537 AromaticContact CZ-CG 3.21Å; F528-H537 AromaticContact CZ-ND1 3.83Å; F528-H537 AromaticContact CZ-NE2 3.8Å
529	K	74.9	Confident	79.4	Confident	74 Å²	74	73.5 Å²	73.5	32%	0.322	37%	0.373	S	S	.	.	S	Bend	trans	-78.8	-20.1	177.6	-61.9	-166.5	179.3	-166	0	113.2	I512 K517 Y519	I512-K529 PolarHBondContact O-NZ 3.15Å; K517-K529 HydrophobicContact CG-CG 4.06Å; Y519-K529 WeakPolarHBondContact CE2-O 3.33Å
530	W	77.2	Confident	79.2	Confident	114 Å²	114	73 Å²	73	43%	0.432	38%	0.379	S	S	.	.	S	Bend	trans	-133.5	141.1	-178.8	-56.9	-39.4	0	0	0	111.4	S532 K533 L534	W530-S532 VanDerWaalsContact C-N 3.33Å; W530-S532 PolarHBondContact O-N 3.17Å; W530-K533 HydrophobicContact CB-CG 4.38Å; W530-K533 HydrophobicContact CE3-CG 3.86Å; W530-K533 PolarHBondContact O-N 3.4Å; W530-K533 VanDerWaalsContact O-N 3.12Å; W530-L534 PolarHBondContact O-N 2.83Å
531	S	76.4	Confident	79	Confident	63 Å²	63	70.3 Å²	70.3	44%	0.441	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-40.3	177.7	55.3	0	0	0	0	112.5	Y519 K533 L534 T535	Y519-S531 VanDerWaalsContact CD2-N 3.31Å; S531-K533 PolarHBondContact O-N 2.82Å; S531-L534 WeakPolarHBondContact O-CA 3.25Å; S531-L534 WeakPolarHBondContact O-CB 3.25Å; S531-L534 PolarHBondContact O-N 2.98Å; S531-T535 PolarHBondContact O-N 2.85Å; S531-T535 PolarHBondContact O-OG1 3.05Å; S531-T535 VanDerWaalsContact O-OG1 3.1Å
532	S	77.9	Confident	78.4	Confident	70 Å²	70	73.7 Å²	73.7	49%	0.49	39%	0.389	S	S	.	.	H	α-helix	trans	-58.9	-32.4	176.8	57	0	0	0	0	113.2	W530 E536	W530-S532 VanDerWaalsContact C-N 3.33Å; W530-S532 PolarHBondContact O-N 3.17Å; S532-E536 VanDerWaalsContact O-CB 3.31Å; S532-E536 WeakPolarHBondContact O-CB 3.28Å; S532-E536 PolarHBondContact O-N 3.32Å
533	K	79.6	Confident	77.8	Confident	80 Å²	80	68.2 Å²	68.2	35%	0.348	38%	0.377	S	S	.	.	H	α-helix	trans	-77.5	-32.1	176.1	-69.7	-55.2	-169.9	-177.6	0	112.9	F528 W530 S531 E536 H537	F528-K533 HydrophobicContact CB-CB 4.32Å; F528-K533 HydrophobicContact CD1-CB 4.03Å; F528-K533 HydrophobicContact CG-CB 4.44Å; W530-K533 HydrophobicContact CB-CG 4.38Å; W530-K533 HydrophobicContact CE3-CG 3.86Å; W530-K533 PolarHBondContact O-N 3.4Å; W530-K533 VanDerWaalsContact O-N 3.12Å; S531-K533 PolarHBondContact O-N 2.82Å; K533-E536 VanDerWaalsContact CD-OE2 3.25Å; K533-E536 WeakPolarHBondContact CD-OE2 3.46Å; K533-E536 VanDerWaalsContact NZ-CD 3.32Å; K533-E536 IonicContact NZ-OE1 3.48Å; K533-E536 PolarHBondContact NZ-OE1 3.46Å; K533-E536 VanDerWaalsContact NZ-OE1 3.12Å; K533-E536 IonicContact NZ-OE2 3.27Å; K533-E536 PolarHBondContact NZ-OE2 2.85Å; K533-H537 VanDerWaalsContact O-CB 3.25Å; K533-H537 WeakPolarHBondContact O-CB 3.22Å; K533-H537 PolarHBondContact O-N 2.96Å
534	L	81.6	Confident	77.6	Confident	21 Å²	21	68 Å²	68	11%	0.11	38%	0.377	C	S	.	.	H	α-helix	trans	-65.7	-46.4	168.8	174.3	63.2	0	0	0	110.7	K520 C521 F528 W530 S531 E536 H537 K538	K520-L534 VanDerWaalsContact O-CD2 3.29Å; K520-L534 WeakPolarHBondContact O-CD2 3.26Å; C521-L534 HydrophobicContact CB-CD1 3.62Å; F528-L534 HydrophobicContact CB-CB 4.36Å; F528-L534 HydrophobicContact CD2-CB 4.05Å; F528-L534 HydrophobicContact CD2-CD1 3.81Å; F528-L534 HydrophobicContact CE2-CD1 4.07Å; F528-L534 HydrophobicContact CG-CB 4.38Å; W530-L534 PolarHBondContact O-N 2.83Å; S531-L534 WeakPolarHBondContact O-CA 3.25Å; S531-L534 WeakPolarHBondContact O-CB 3.25Å; S531-L534 PolarHBondContact O-N 2.98Å; L534-E536 VanDerWaalsContact C-N 3.34Å; L534-E536 PolarHBondContact O-N 3.48Å; L534-H537 CarbonylContact O-C 3.58Å; L534-H537 WeakPolarHBondContact O-CB 3.43Å; L534-H537 PolarHBondContact O-N 3.3Å; L534-H537 VanDerWaalsContact O-N 3.12Å; L534-K538 HydrophobicContact CD1-CG 4.39Å; L534-K538 WeakPolarHBondContact O-CG 3.47Å; L534-K538 PolarHBondContact O-N 2.79Å
535	T	77.5	Confident	77.4	Confident	89 Å²	89	71.6 Å²	71.6	55%	0.546	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-45.5	176.4	-51.7	0	0	0	0	111.5	S531 H537 K538	S531-T535 PolarHBondContact O-N 2.85Å; S531-T535 PolarHBondContact O-OG1 3.05Å; S531-T535 VanDerWaalsContact O-OG1 3.1Å; T535-H537 VanDerWaalsContact C-N 3.29Å; T535-H537 PolarHBondContact O-N 2.77Å; T535-K538 PolarHBondContact O-N 3.07Å
536	E	76.9	Confident	77.4	Confident	63 Å²	63	72.5 Å²	72.5	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-59.7	-39.9	174.3	-176.2	-179.7	150.7	0	0	112.1	S532 K533 L534 I539 H558	S532-E536 VanDerWaalsContact O-CB 3.31Å; S532-E536 WeakPolarHBondContact O-CB 3.28Å; S532-E536 PolarHBondContact O-N 3.32Å; K533-E536 VanDerWaalsContact CD-OE2 3.25Å; K533-E536 WeakPolarHBondContact CD-OE2 3.46Å; K533-E536 VanDerWaalsContact NZ-CD 3.32Å; K533-E536 IonicContact NZ-OE1 3.48Å; K533-E536 PolarHBondContact NZ-OE1 3.46Å; K533-E536 VanDerWaalsContact NZ-OE1 3.12Å; K533-E536 IonicContact NZ-OE2 3.27Å; K533-E536 PolarHBondContact NZ-OE2 2.85Å; L534-E536 VanDerWaalsContact C-N 3.34Å; L534-E536 PolarHBondContact O-N 3.48Å; E536-I539 WeakPolarHBondContact O-CB 3.15Å; E536-H558 WeakPolarHBondContact CG-CE1 3.39Å; E536-H558 WeakPolarHBondContact CG-NE2 3.35Å; E536-H558 IonicContact OE1-CE1 3.24Å; E536-H558 PolarHBondContact OE1-CE1 3.43Å; E536-H558 IonicContact OE1-ND1 3.44Å; E536-H558 PolarHBondContact OE1-ND1 2.96Å; E536-H558 IonicContact OE1-NE2 3.99Å
537	H	81.2	Confident	77.4	Confident	22 Å²	22	70.8 Å²	70.8	10%	0.102	37%	0.373	C	S	.	.	H	α-helix	trans	-70.2	-35.7	176.8	170.7	58.6	0	0	0	113.3	C524 F528 K533 L534 T535 I539 T540 H541	C524-H537 PolarHBondContact SG-NE2 3.2Å; F528-H537 HydrophobicContact CE1-CB 3.95Å; F528-H537 HydrophobicContact CE2-CB 3.86Å; F528-H537 AromaticContact CE2-CD2 3.15Å; F528-H537 WeakPolarHBondContact CE2-CD2 3.5Å; F528-H537 AromaticContact CE2-CG 3.59Å; F528-H537 AromaticContact CE2-NE2 3.81Å; F528-H537 HydrophobicContact CZ-CB 3.44Å; F528-H537 VanDerWaalsContact CZ-CB 3.44Å; F528-H537 AromaticContact CZ-CD2 3.26Å; F528-H537 WeakPolarHBondContact CZ-CD2 3.47Å; F528-H537 AromaticContact CZ-CG 3.21Å; F528-H537 AromaticContact CZ-ND1 3.83Å; F528-H537 AromaticContact CZ-NE2 3.8Å; K533-H537 VanDerWaalsContact O-CB 3.25Å; K533-H537 WeakPolarHBondContact O-CB 3.22Å; K533-H537 PolarHBondContact O-N 2.96Å; L534-H537 CarbonylContact O-C 3.58Å; L534-H537 WeakPolarHBondContact O-CB 3.43Å; L534-H537 PolarHBondContact O-N 3.3Å; L534-H537 VanDerWaalsContact O-N 3.12Å; T535-H537 VanDerWaalsContact C-N 3.29Å; T535-H537 PolarHBondContact O-N 2.77Å; H537-I539 PolarHBondContact O-N 3.27Å; H537-T540 PolarHBondContact ND1-OG1 3.13Å; H537-T540 WeakPolarHBondContact O-CA 3.31Å; H537-T540 VanDerWaalsContact O-CB 3.32Å; H537-T540 WeakPolarHBondContact O-CB 3.48Å; H537-T540 PolarHBondContact O-N 3.25Å; H537-T540 PolarHBondContact O-OG1 3.07Å; H537-H541 AromaticContact CE1-NE2 3.34Å; H537-H541 PolarHBondContact CE1-NE2 3.07Å; H537-H541 VanDerWaalsContact CE1-NE2 3.34Å; H537-H541 AromaticContact NE2-CD2 3.97Å; H537-H541 AromaticContact NE2-NE2 3.22Å; H537-H541 PolarHBondContact NE2-NE2 3.43Å
538	K	78.2	Confident	77.4	Confident	98 Å²	98	76.2 Å²	76.2	43%	0.426	39%	0.392	S	S	.	.	H	α-helix	trans	-58.3	-31.5	176.8	-74.6	-173.3	175.2	-161.6	0	112.7	L534 T535 T540 H541 T542	L534-K538 HydrophobicContact CD1-CG 4.39Å; L534-K538 WeakPolarHBondContact O-CG 3.47Å; L534-K538 PolarHBondContact O-N 2.79Å; T535-K538 PolarHBondContact O-N 3.07Å; K538-T540 PolarHBondContact O-N 3.18Å; K538-T540 VanDerWaalsContact O-N 3.13Å; K538-H541 PolarHBondContact O-N 2.83Å; K538-T542 PolarHBondContact O-N 2.84Å
539	I	78.8	Confident	77.6	Confident	37 Å²	37	74.1 Å²	74.1	19%	0.19	38%	0.383	C	S	.	.	H	α-helix	trans	-59.8	-25.4	174	-56.7	171	0	0	0	111.6	E536 H537 H541 T542 G543 E544 N557	E536-I539 WeakPolarHBondContact O-CB 3.15Å; H537-I539 PolarHBondContact O-N 3.27Å; I539-H541 VanDerWaalsContact C-N 3.32Å; I539-T542 PolarHBondContact O-OG1 3.08Å; I539-G543 PolarHBondContact O-N 3.42Å; I539-E544 HydrophobicContact CG2-CB 4.47Å; I539-E544 WeakPolarHBondContact CG2-O 3.38Å; I539-N557 HydrophobicContact CG2-CB 3.83Å
540	T	74.6	Confident	78	Confident	74 Å²	74	78.3 Å²	78.3	45%	0.454	40%	0.404	S	S	.	.	H	α-helix	trans	-74.9	-21.1	177.6	69	0	0	0	0	113.5	H537 K538	H537-T540 PolarHBondContact ND1-OG1 3.13Å; H537-T540 WeakPolarHBondContact O-CA 3.31Å; H537-T540 VanDerWaalsContact O-CB 3.32Å; H537-T540 WeakPolarHBondContact O-CB 3.48Å; H537-T540 PolarHBondContact O-N 3.25Å; H537-T540 PolarHBondContact O-OG1 3.07Å; K538-T540 PolarHBondContact O-N 3.18Å; K538-T540 VanDerWaalsContact O-N 3.13Å
541	H	75.5	Confident	78.1	Confident	75 Å²	75	78.5 Å²	78.5	35%	0.347	41%	0.409	S	S	.	.	H	α-helix	trans	-87.7	-41.7	175.8	-68.9	-61.3	0	0	0	112.1	E523 C524 H537 K538 I539 G543	E523-H541 WeakPolarHBondContact OE2-CB 3.43Å; E523-H541 IonicContact OE2-CD2 3.38Å; E523-H541 PolarHBondContact OE2-CD2 3.43Å; E523-H541 IonicContact OE2-CG 3.09Å; E523-H541 IonicContact OE2-ND1 3.01Å; C524-H541 VanDerWaalsContact SG-CE1 3.6Å; C524-H541 PolarHBondContact SG-NE2 3.02Å; H537-H541 AromaticContact CE1-NE2 3.34Å; H537-H541 PolarHBondContact CE1-NE2 3.07Å; H537-H541 VanDerWaalsContact CE1-NE2 3.34Å; H537-H541 AromaticContact NE2-CD2 3.97Å; H537-H541 AromaticContact NE2-NE2 3.22Å; H537-H541 PolarHBondContact NE2-NE2 3.43Å; K538-H541 PolarHBondContact O-N 2.83Å; I539-H541 VanDerWaalsContact C-N 3.32Å; H541-G543 PolarHBondContact O-N 3.32Å
542	T	73.3	Confident	78.2	Confident	73 Å²	73	78 Å²	78	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-70.7	-16.7	177.5	62.2	0	0	0	0	112.5	K538 I539 E544	K538-T542 PolarHBondContact O-N 2.84Å; I539-T542 PolarHBondContact O-OG1 3.08Å; T542-E544 PolarHBondContact O-N 3.39Å; T542-E544 WeakPolarHBondContact OG1-CB 2.87Å; T542-E544 WeakPolarHBondContact OG1-CG 3.5Å; T542-E544 PolarHBondContact OG1-N 3.03Å
543	G	69.6	Low	78.2	Confident	52 Å²	52	77.5 Å²	77.5	54%	0.536	41%	0.411	S	S	.	.			trans	65.9	4	-175.3	0	0	0	0	0	113.2	I539 H541 K545	I539-G543 PolarHBondContact O-N 3.42Å; H541-G543 PolarHBondContact O-N 3.32Å; G543-K545 PolarHBondContact O-N 2.81Å
544	E	73.5	Confident	78.2	Confident	121 Å²	121	79.8 Å²	79.8	57%	0.565	42%	0.421	S	S	*	.			trans	-60.5	134.2	179.8	-73.8	-179.2	177.9	0	0	109.4	I539 T542 P546	I539-E544 HydrophobicContact CG2-CB 4.47Å; I539-E544 WeakPolarHBondContact CG2-O 3.38Å; T542-E544 PolarHBondContact O-N 3.39Å; T542-E544 WeakPolarHBondContact OG1-CB 2.87Å; T542-E544 WeakPolarHBondContact OG1-CG 3.5Å; T542-E544 PolarHBondContact OG1-N 3.03Å; E544-P546 VanDerWaalsContact C-CD 3.5Å; E544-P546 WeakPolarHBondContact O-CD 3.45Å
545	K	77.4	Confident	78.2	Confident	125 Å²	125	80.1 Å²	80.1	54%	0.543	43%	0.426	S	S	.	.			trans	-122.2	77.6	176.4	-74.7	163.1	169.4	-179.3	0	107.7	G543 Y547 A555 F556	G543-K545 PolarHBondContact O-N 2.81Å; K545-Y547 PolarHBondContact O-N 3.16Å; K545-Y547 VanDerWaalsContact O-N 3.08Å; K545-A555 HydrophobicContact CB-CB 3.36Å; K545-A555 HydrophobicContact CD-CB 4.03Å; K545-A555 VanDerWaalsContact CD-O 3.29Å; K545-A555 WeakPolarHBondContact CD-O 3.35Å; K545-A555 HydrophobicContact CG-CB 4.27Å; K545-F556 CarbonylContact C-O 3.59Å; K545-F556 VanDerWaalsContact C-O 3.26Å; K545-F556 VanDerWaalsContact CA-O 3.3Å; K545-F556 WeakPolarHBondContact CA-O 3.49Å
546	P	78.9	Confident	78.4	Confident	74 Å²	74	77.6 Å²	77.6	48%	0.481	41%	0.408	S	S	.	.			trans	-63.8	-20.3	-171	-22	34.3	0	0	0	113.1	E544	E544-P546 VanDerWaalsContact C-CD 3.5Å; E544-P546 WeakPolarHBondContact O-CD 3.45Å
547	Y	80.6	Confident	78.5	Confident	92 Å²	92	76.9 Å²	76.9	36%	0.361	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	94.5	-173.1	-54.7	-74.8	0	0	0	110.3	K545 A555 F556 N557 F559	K545-Y547 PolarHBondContact O-N 3.16Å; K545-Y547 VanDerWaalsContact O-N 3.08Å; Y547-A555 CarbonylContact O-C 3.58Å; Y547-A555 WeakPolarHBondContact O-CA 3.39Å; Y547-F556 PolarHBondContact N-O 3.21Å; Y547-F556 VanDerWaalsContact N-O 3.13Å; Y547-F556 PolarHBondContact O-N 3.12Å; Y547-N557 WeakPolarHBondContact CD2-O 3.38Å; Y547-N557 VanDerWaalsContact CE2-O 3.29Å; Y547-N557 WeakPolarHBondContact CE2-O 3.31Å; Y547-F559 HydrophobicContact CD1-CB 3.88Å; Y547-F559 AromaticContact CD1-CD2 3.89Å; Y547-F559 HydrophobicContact CD1-CD2 3.89Å; Y547-F559 HydrophobicContact CD1-CG 4.4Å; Y547-F559 HydrophobicContact CD2-CB 4.5Å; Y547-F559 VanDerWaalsContact CD2-N 3.26Å; Y547-F559 HydrophobicContact CE1-CB 3.78Å; Y547-F559 HydrophobicContact CE1-CD2 4.19Å; Y547-F559 HydrophobicContact CE1-CG 4.45Å; Y547-F559 HydrophobicContact CE2-CB 4.39Å; Y547-F559 HydrophobicContact CG-CB 4.23Å
548	K	80.9	Confident	78.3	Confident	138 Å²	138	77.7 Å²	77.7	60%	0.6	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.9	177.6	-62.3	-176.5	-179.2	178.2	0	111.5	A555 L562	K548-A555 HydrophobicContact CG-CB 3.87Å; K548-L562 WeakPolarHBondContact O-CD2 3.23Å
549	C	85.8	Confident	78.1	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.007	42%	0.416	C	S	.	.			trans	-89.8	115.8	169.2	-170.6	0	0	0	0	108.8	E551 C552 G553 K554 F556 L562 H569	C549-E551 PolarHBondContact O-N 3.07Å; C549-C552 PolarHBondContact O-N 3.07Å; C549-G553 VanDerWaalsContact O-CA 3.23Å; C549-G553 WeakPolarHBondContact O-CA 3.29Å; C549-G553 PolarHBondContact O-N 2.75Å; C549-K554 VanDerWaalsContact CB-O 3.31Å; C549-K554 WeakPolarHBondContact CB-O 3.49Å; C549-K554 PolarHBondContact N-O 3.2Å; C549-F556 HydrophobicContact CB-CE2 4.35Å; C549-L562 HydrophobicContact CB-CD1 3.6Å; C549-H569 PolarHBondContact SG-NE2 3.13Å; C549-H569 VanDerWaalsContact SG-NE2 3.4Å
550	E	83.6	Confident	78.2	Confident	163 Å²	163	80.4 Å²	80.4	76%	0.762	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.6	179.4	-56.8	-51.7	138.1	0	0	112.7
551	E	78.6	Confident	78.5	Confident	117 Å²	117	80 Å²	80	55%	0.547	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-22.2	-174.1	-65.5	173.1	-135.3	0	0	114.2	C549 H569	C549-E551 PolarHBondContact O-N 3.07Å; E551-H569 WeakPolarHBondContact OE2-CB 3.47Å; E551-H569 IonicContact OE2-CD2 2.94Å; E551-H569 PolarHBondContact OE2-CD2 2.87Å; E551-H569 IonicContact OE2-CG 3.13Å; E551-H569 IonicContact OE2-ND1 3.12Å
552	C	77.4	Confident	78.9	Confident	54 Å²	54	76.8 Å²	76.8	37%	0.365	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	9.8	178.6	69.3	0	0	0	0	115.1	C549 K554 H565 H569	C549-C552 PolarHBondContact O-N 3.07Å; C552-K554 PolarHBondContact O-N 3.3Å; C552-H565 PolarHBondContact SG-NE2 3.26Å; C552-H569 VanDerWaalsContact SG-CE1 3.5Å; C552-H569 PolarHBondContact SG-NE2 2.76Å
553	G	78.8	Confident	79.3	Confident	58 Å²	58	76.1 Å²	76.1	60%	0.598	40%	0.404	S	S	*	.			trans	66.8	-4.3	-179.2	0	0	0	0	0	115.3	C549 A555	C549-G553 VanDerWaalsContact O-CA 3.23Å; C549-G553 WeakPolarHBondContact O-CA 3.29Å; C549-G553 PolarHBondContact O-N 2.75Å; G553-A555 PolarHBondContact O-N 3.05Å
554	K	78.6	Confident	79.9	Confident	129 Å²	129	78.3 Å²	78.3	56%	0.561	40%	0.399	S	S	*	.			trans	-67.8	128.3	-177.7	-73.4	-177.8	-180	174.9	0	111	C549 C552 F556	C549-K554 VanDerWaalsContact CB-O 3.31Å; C549-K554 WeakPolarHBondContact CB-O 3.49Å; C549-K554 PolarHBondContact N-O 3.2Å; C552-K554 PolarHBondContact O-N 3.3Å; K554-F556 HydrophobicContact CB-CE2 4.01Å; K554-F556 HydrophobicContact CB-CZ 3.98Å; K554-F556 VanDerWaalsContact O-CE2 3.32Å; K554-F556 WeakPolarHBondContact O-CE2 3.49Å
555	A	82.6	Confident	80.5	Confident	27 Å²	27	73.4 Å²	73.4	22%	0.223	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.7	-178.5	0	0	0	0	0	111.7	K545 Y547 K548 G553	K545-A555 HydrophobicContact CB-CB 3.36Å; K545-A555 HydrophobicContact CD-CB 4.03Å; K545-A555 VanDerWaalsContact CD-O 3.29Å; K545-A555 WeakPolarHBondContact CD-O 3.35Å; K545-A555 HydrophobicContact CG-CB 4.27Å; Y547-A555 CarbonylContact O-C 3.58Å; Y547-A555 WeakPolarHBondContact O-CA 3.39Å; K548-A555 HydrophobicContact CG-CB 3.87Å; G553-A555 PolarHBondContact O-N 3.05Å
556	F	82.4	Confident	80.7	Confident	37 Å²	37	71.6 Å²	71.6	16%	0.162	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.6	-179.1	-56.3	-84.2	0	0	0	110.9	K545 Y547 C549 K554 H558 I561 L562 H565	K545-F556 CarbonylContact C-O 3.59Å; K545-F556 VanDerWaalsContact C-O 3.26Å; K545-F556 VanDerWaalsContact CA-O 3.3Å; K545-F556 WeakPolarHBondContact CA-O 3.49Å; Y547-F556 PolarHBondContact N-O 3.21Å; Y547-F556 VanDerWaalsContact N-O 3.13Å; Y547-F556 PolarHBondContact O-N 3.12Å; C549-F556 HydrophobicContact CB-CE2 4.35Å; K554-F556 HydrophobicContact CB-CE2 4.01Å; K554-F556 HydrophobicContact CB-CZ 3.98Å; K554-F556 VanDerWaalsContact O-CE2 3.32Å; K554-F556 WeakPolarHBondContact O-CE2 3.49Å; F556-H558 VanDerWaalsContact C-N 3.35Å; F556-I561 HydrophobicContact CB-CB 4.37Å; F556-I561 HydrophobicContact CB-CG2 4.34Å; F556-I561 HydrophobicContact CD1-CB 4.34Å; F556-I561 HydrophobicContact CD1-CG2 3.44Å; F556-I561 VanDerWaalsContact CD1-CG2 3.44Å; F556-I561 HydrophobicContact CE1-CG2 4.06Å; F556-I561 HydrophobicContact CG-CG2 4.07Å; F556-L562 HydrophobicContact CB-CB 4.47Å; F556-L562 HydrophobicContact CD2-CB 3.93Å; F556-L562 HydrophobicContact CD2-CD1 3.78Å; F556-L562 HydrophobicContact CD2-CG 4.47Å; F556-L562 HydrophobicContact CE2-CD1 3.95Å; F556-L562 HydrophobicContact CG-CB 4.44Å; F556-H565 HydrophobicContact CE1-CB 4.14Å; F556-H565 HydrophobicContact CE2-CB 3.83Å; F556-H565 AromaticContact CE2-CD2 3.3Å; F556-H565 WeakPolarHBondContact CE2-CD2 3.37Å; F556-H565 AromaticContact CE2-CG 3.5Å; F556-H565 AromaticContact CE2-NE2 3.88Å; F556-H565 HydrophobicContact CZ-CB 3.56Å; F556-H565 AromaticContact CZ-CD2 3.42Å; F556-H565 VanDerWaalsContact CZ-CD2 3.42Å; F556-H565 WeakPolarHBondContact CZ-CD2 3.47Å; F556-H565 AromaticContact CZ-CE1 3.87Å; F556-H565 AromaticContact CZ-CG 3.17Å; F556-H565 AromaticContact CZ-ND1 3.49Å; F556-H565 WeakPolarHBondContact CZ-ND1 3.43Å; F556-H565 AromaticContact CZ-NE2 3.81Å
557	N	77.9	Confident	80.9	Confident	47 Å²	47	70.6 Å²	70.6	25%	0.251	36%	0.355	S	S	.	.	S	Bend	trans	-71.7	-29.3	176.4	55.7	3.4	0	0	0	112.1	I539 Y547 I561	I539-N557 HydrophobicContact CG2-CB 3.83Å; Y547-N557 WeakPolarHBondContact CD2-O 3.38Å; Y547-N557 VanDerWaalsContact CE2-O 3.29Å; Y547-N557 WeakPolarHBondContact CE2-O 3.31Å; N557-I561 WeakPolarHBondContact OD1-CD1 3.44Å
558	H	76.6	Confident	80.9	Confident	40 Å²	40	71.8 Å²	71.8	19%	0.185	37%	0.366	C	S	.	.	S	Bend	trans	-126.9	140.3	-177.5	-59.2	-173.7	0	0	0	112.4	E536 F556 S560 I561 L562	E536-H558 WeakPolarHBondContact CG-CE1 3.39Å; E536-H558 WeakPolarHBondContact CG-NE2 3.35Å; E536-H558 IonicContact OE1-CE1 3.24Å; E536-H558 PolarHBondContact OE1-CE1 3.43Å; E536-H558 IonicContact OE1-ND1 3.44Å; E536-H558 PolarHBondContact OE1-ND1 2.96Å; E536-H558 IonicContact OE1-NE2 3.99Å; F556-H558 VanDerWaalsContact C-N 3.35Å; H558-S560 VanDerWaalsContact C-N 3.3Å; H558-S560 PolarHBondContact O-N 3.1Å; H558-I561 HydrophobicContact CB-CD1 4.1Å; H558-I561 HydrophobicContact CB-CG1 4.18Å; H558-I561 PolarHBondContact O-N 3.34Å; H558-L562 PolarHBondContact O-N 3.2Å
559	F	75.2	Confident	80.8	Confident	127 Å²	127	68.3 Å²	68.3	56%	0.557	35%	0.352	S	S	*	.	H	α-helix	trans	-56.7	-40.7	176.1	-174.7	-100.1	0	0	0	113.1	Y547 I561 L562 T563	Y547-F559 HydrophobicContact CD1-CB 3.88Å; Y547-F559 AromaticContact CD1-CD2 3.89Å; Y547-F559 HydrophobicContact CD1-CD2 3.89Å; Y547-F559 HydrophobicContact CD1-CG 4.4Å; Y547-F559 HydrophobicContact CD2-CB 4.5Å; Y547-F559 VanDerWaalsContact CD2-N 3.26Å; Y547-F559 HydrophobicContact CE1-CB 3.78Å; Y547-F559 HydrophobicContact CE1-CD2 4.19Å; Y547-F559 HydrophobicContact CE1-CG 4.45Å; Y547-F559 HydrophobicContact CE2-CB 4.39Å; Y547-F559 HydrophobicContact CG-CB 4.23Å; F559-I561 PolarHBondContact O-N 3.22Å; F559-L562 HydrophobicContact CD2-CD2 4.47Å; F559-L562 WeakPolarHBondContact O-CB 3.49Å; F559-L562 PolarHBondContact O-N 3.43Å; F559-L562 VanDerWaalsContact O-N 3.11Å; F559-T563 WeakPolarHBondContact CE1-OG1 3.49Å; F559-T563 PolarHBondContact O-N 3.42Å; F559-T563 PolarHBondContact O-OG1 3.03Å; F559-T563 VanDerWaalsContact O-OG1 3.04Å
560	S	80.1	Confident	80.4	Confident	64 Å²	64	72 Å²	72	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-27.1	179.3	66.8	0	0	0	0	113.8	H558 K564	H558-S560 VanDerWaalsContact C-N 3.3Å; H558-S560 PolarHBondContact O-N 3.1Å; S560-K564 VanDerWaalsContact O-CG 3.31Å; S560-K564 WeakPolarHBondContact O-CG 3.07Å; S560-K564 PolarHBondContact O-N 3.22Å
561	I	80.4	Confident	80.2	Confident	65 Å²	65	66.4 Å²	66.4	33%	0.333	36%	0.361	S	S	.	.	H	α-helix	trans	-78.8	-42	175.9	-60	174	0	0	0	109.3	F556 N557 H558 F559 T563 K564 H565	F556-I561 HydrophobicContact CB-CB 4.37Å; F556-I561 HydrophobicContact CB-CG2 4.34Å; F556-I561 HydrophobicContact CD1-CB 4.34Å; F556-I561 HydrophobicContact CD1-CG2 3.44Å; F556-I561 VanDerWaalsContact CD1-CG2 3.44Å; F556-I561 HydrophobicContact CE1-CG2 4.06Å; F556-I561 HydrophobicContact CG-CG2 4.07Å; N557-I561 WeakPolarHBondContact OD1-CD1 3.44Å; H558-I561 HydrophobicContact CB-CD1 4.1Å; H558-I561 HydrophobicContact CB-CG1 4.18Å; H558-I561 PolarHBondContact O-N 3.34Å; F559-I561 PolarHBondContact O-N 3.22Å; I561-T563 VanDerWaalsContact C-N 3.34Å; I561-T563 PolarHBondContact O-N 3.42Å; I561-K564 PolarHBondContact O-N 2.97Å; I561-H565 WeakPolarHBondContact O-CB 3.27Å; I561-H565 PolarHBondContact O-N 3.45Å
562	L	84.3	Confident	80.3	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.047	36%	0.36	C	S	.	.	H	α-helix	trans	-56.4	-46.5	171.3	174.7	63.1	0	0	0	111.3	K548 C549 F556 H558 F559 K564 H565 K566	K548-L562 WeakPolarHBondContact O-CD2 3.23Å; C549-L562 HydrophobicContact CB-CD1 3.6Å; F556-L562 HydrophobicContact CB-CB 4.47Å; F556-L562 HydrophobicContact CD2-CB 3.93Å; F556-L562 HydrophobicContact CD2-CD1 3.78Å; F556-L562 HydrophobicContact CD2-CG 4.47Å; F556-L562 HydrophobicContact CE2-CD1 3.95Å; F556-L562 HydrophobicContact CG-CB 4.44Å; H558-L562 PolarHBondContact O-N 3.2Å; F559-L562 HydrophobicContact CD2-CD2 4.47Å; F559-L562 WeakPolarHBondContact O-CB 3.49Å; F559-L562 PolarHBondContact O-N 3.43Å; F559-L562 VanDerWaalsContact O-N 3.11Å; L562-K564 VanDerWaalsContact C-N 3.32Å; L562-K564 PolarHBondContact O-N 2.99Å; L562-H565 CarbonylContact O-C 3.58Å; L562-H565 WeakPolarHBondContact O-CA 3.18Å; L562-H565 WeakPolarHBondContact O-CB 3.27Å; L562-H565 PolarHBondContact O-N 3.2Å; L562-H565 VanDerWaalsContact O-N 3.07Å; L562-K566 HydrophobicContact CD1-CG 4.28Å; L562-K566 WeakPolarHBondContact O-CG 3.36Å; L562-K566 PolarHBondContact O-N 2.86Å
563	T	81.6	Confident	80.6	Confident	58 Å²	58	69 Å²	69	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-40.8	176.9	-46.9	0	0	0	0	112.2	F559 I561 H565	F559-T563 WeakPolarHBondContact CE1-OG1 3.49Å; F559-T563 PolarHBondContact O-N 3.42Å; F559-T563 PolarHBondContact O-OG1 3.03Å; F559-T563 VanDerWaalsContact O-OG1 3.04Å; I561-T563 VanDerWaalsContact C-N 3.34Å; I561-T563 PolarHBondContact O-N 3.42Å; T563-H565 VanDerWaalsContact C-N 3.33Å
564	K	83.8	Confident	81	Confident	98 Å²	98	69.6 Å²	69.6	43%	0.426	36%	0.359	S	S	.	.	H	α-helix	trans	-67.7	-35.7	175	-71.7	171.4	-173.2	178.8	0	111.8	S560 I561 L562 R567	S560-K564 VanDerWaalsContact O-CG 3.31Å; S560-K564 WeakPolarHBondContact O-CG 3.07Å; S560-K564 PolarHBondContact O-N 3.22Å; I561-K564 PolarHBondContact O-N 2.97Å; L562-K564 VanDerWaalsContact C-N 3.32Å; L562-K564 PolarHBondContact O-N 2.99Å; K564-R567 WeakPolarHBondContact O-CB 3.41Å
565	H	84.3	Confident	81.4	Confident	19 Å²	19	67.2 Å²	67.2	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-69	-40.3	178.6	170.4	71.8	0	0	0	112.2	C552 F556 I561 L562 T563 R567 I568 H569	C552-H565 PolarHBondContact SG-NE2 3.26Å; F556-H565 HydrophobicContact CE1-CB 4.14Å; F556-H565 HydrophobicContact CE2-CB 3.83Å; F556-H565 AromaticContact CE2-CD2 3.3Å; F556-H565 WeakPolarHBondContact CE2-CD2 3.37Å; F556-H565 AromaticContact CE2-CG 3.5Å; F556-H565 AromaticContact CE2-NE2 3.88Å; F556-H565 HydrophobicContact CZ-CB 3.56Å; F556-H565 AromaticContact CZ-CD2 3.42Å; F556-H565 VanDerWaalsContact CZ-CD2 3.42Å; F556-H565 WeakPolarHBondContact CZ-CD2 3.47Å; F556-H565 AromaticContact CZ-CE1 3.87Å; F556-H565 AromaticContact CZ-CG 3.17Å; F556-H565 AromaticContact CZ-ND1 3.49Å; F556-H565 WeakPolarHBondContact CZ-ND1 3.43Å; F556-H565 AromaticContact CZ-NE2 3.81Å; I561-H565 WeakPolarHBondContact O-CB 3.27Å; I561-H565 PolarHBondContact O-N 3.45Å; L562-H565 CarbonylContact O-C 3.58Å; L562-H565 WeakPolarHBondContact O-CA 3.18Å; L562-H565 WeakPolarHBondContact O-CB 3.27Å; L562-H565 PolarHBondContact O-N 3.2Å; L562-H565 VanDerWaalsContact O-N 3.07Å; T563-H565 VanDerWaalsContact C-N 3.33Å; H565-R567 PolarHBondContact O-N 3.41Å; H565-I568 VanDerWaalsContact O-CB 3.24Å; H565-I568 WeakPolarHBondContact O-CB 3.34Å; H565-I568 WeakPolarHBondContact O-CG1 3.41Å; H565-I568 PolarHBondContact O-N 3.1Å; H565-H569 AromaticContact CD2-NE2 3.95Å; H565-H569 AromaticContact CE1-NE2 3.84Å; H565-H569 AromaticContact NE2-NE2 3.25Å; H565-H569 PolarHBondContact NE2-NE2 3.35Å
566	K	82	Confident	81.3	Confident	87 Å²	87	72.4 Å²	72.4	38%	0.378	37%	0.365	S	S	.	.	H	α-helix	trans	-54.6	-27.6	176.7	-74.3	-168.9	174.4	-159.6	0	113.4	L562 I568 H569 T570	L562-K566 HydrophobicContact CD1-CG 4.28Å; L562-K566 WeakPolarHBondContact O-CG 3.36Å; L562-K566 PolarHBondContact O-N 2.86Å; K566-I568 PolarHBondContact O-N 3.01Å; K566-I568 VanDerWaalsContact O-N 3.16Å; K566-H569 PolarHBondContact O-N 2.59Å; K566-T570 PolarHBondContact O-N 2.84Å; K566-T570 VanDerWaalsContact O-N 3.17Å
567	R	84.8	Confident	81.5	Confident	53 Å²	53	70.7 Å²	70.7	20%	0.2	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.2	174	-60.1	-177	-177.5	160.4	3.8	114.5	K564 H565 H569 T570 G571 E572 T585	K564-R567 WeakPolarHBondContact O-CB 3.41Å; H565-R567 PolarHBondContact O-N 3.41Å; R567-H569 VanDerWaalsContact C-N 3.33Å; R567-T570 WeakPolarHBondContact CA-OG1 2.8Å; R567-G571 PolarHBondContact O-N 3.12Å; R567-E572 PolarHBondContact O-N 3.13Å; R567-T585 PolarHBondContact NH1-O 3.09Å
568	I	80.1	Confident	81.9	Confident	116 Å²	116	76.4 Å²	76.4	60%	0.595	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-36.9	173.8	-60.8	177.3	0	0	0	109.8	H565 K566	H565-I568 VanDerWaalsContact O-CB 3.24Å; H565-I568 WeakPolarHBondContact O-CB 3.34Å; H565-I568 WeakPolarHBondContact O-CG1 3.41Å; H565-I568 PolarHBondContact O-N 3.1Å; K566-I568 PolarHBondContact O-N 3.01Å; K566-I568 VanDerWaalsContact O-N 3.16Å
569	H	77.8	Confident	82	Confident	66 Å²	66	80.1 Å²	80.1	31%	0.306	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-43.6	-179.3	-54.9	-61.8	0	0	0	112.4	C549 E551 C552 H565 K566 R567 G571	C549-H569 PolarHBondContact SG-NE2 3.13Å; C549-H569 VanDerWaalsContact SG-NE2 3.4Å; E551-H569 WeakPolarHBondContact OE2-CB 3.47Å; E551-H569 IonicContact OE2-CD2 2.94Å; E551-H569 PolarHBondContact OE2-CD2 2.87Å; E551-H569 IonicContact OE2-CG 3.13Å; E551-H569 IonicContact OE2-ND1 3.12Å; C552-H569 VanDerWaalsContact SG-CE1 3.5Å; C552-H569 PolarHBondContact SG-NE2 2.76Å; H565-H569 AromaticContact CD2-NE2 3.95Å; H565-H569 AromaticContact CE1-NE2 3.84Å; H565-H569 AromaticContact NE2-NE2 3.25Å; H565-H569 PolarHBondContact NE2-NE2 3.35Å; K566-H569 PolarHBondContact O-N 2.59Å; R567-H569 VanDerWaalsContact C-N 3.33Å; H569-G571 PolarHBondContact O-N 3.35Å
570	T	78.3	Confident	82.2	Confident	78 Å²	78	76.7 Å²	76.7	48%	0.479	39%	0.391	S	S	.	.	S	Bend	trans	-73.1	-12.3	177.6	63.5	0	0	0	0	113.1	K566 R567 E572	K566-T570 PolarHBondContact O-N 2.84Å; K566-T570 VanDerWaalsContact O-N 3.17Å; R567-T570 WeakPolarHBondContact CA-OG1 2.8Å; T570-E572 PolarHBondContact O-N 3.22Å; T570-E572 VanDerWaalsContact O-N 3.07Å; T570-E572 WeakPolarHBondContact OG1-CG 3.47Å; T570-E572 PolarHBondContact OG1-N 3.2Å
571	G	78.3	Confident	82.2	Confident	46 Å²	46	76.3 Å²	76.3	47%	0.474	40%	0.397	S	S	.	.			trans	66	5.3	-174.8	0	0	0	0	0	114.2	R567 H569 K573	R567-G571 PolarHBondContact O-N 3.12Å; H569-G571 PolarHBondContact O-N 3.35Å; G571-K573 PolarHBondContact O-N 3.43Å
572	E	80.4	Confident	82.2	Confident	111 Å²	111	79.4 Å²	79.4	52%	0.519	41%	0.408	S	S	.	.			trans	-60.3	122	-177.4	-77.5	-177.7	178.5	0	0	111.3	R567 T570 P574	R567-E572 PolarHBondContact O-N 3.13Å; T570-E572 PolarHBondContact O-N 3.22Å; T570-E572 VanDerWaalsContact O-N 3.07Å; T570-E572 WeakPolarHBondContact OG1-CG 3.47Å; T570-E572 PolarHBondContact OG1-N 3.2Å; E572-P574 WeakPolarHBondContact O-CD 3.45Å
573	K	85.1	Confident	82.4	Confident	115 Å²	115	80.5 Å²	80.5	50%	0.5	42%	0.418	S	S	.	.			trans	-120.3	77.5	174.9	-70.6	166.6	177.8	178.6	0	110	G571 Y575 A583 F584 T585	G571-K573 PolarHBondContact O-N 3.43Å; K573-Y575 PolarHBondContact O-N 2.73Å; K573-Y575 VanDerWaalsContact O-N 3.15Å; K573-A583 HydrophobicContact CB-CB 3.53Å; K573-A583 HydrophobicContact CD-CB 4.12Å; K573-A583 WeakPolarHBondContact CD-O 3.37Å; K573-A583 HydrophobicContact CG-CB 4.41Å; K573-F584 CarbonylContact C-O 3.24Å; K573-F584 VanDerWaalsContact C-O 3.27Å; K573-F584 VanDerWaalsContact CA-O 3.3Å; K573-F584 WeakPolarHBondContact CA-O 3.18Å; K573-T585 HydrophobicContact CG-CG2 3.83Å
574	P	85.8	Confident	82.6	Confident	70 Å²	70	79.7 Å²	79.7	46%	0.455	41%	0.41	S	S	.	.			trans	-66.5	-18	-172.4	-21.1	33.6	0	0	0	114.2	E572	E572-P574 WeakPolarHBondContact O-CD 3.45Å
575	Y	87.4	Confident	82.6	Confident	78 Å²	78	76.9 Å²	76.9	31%	0.306	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	92	-171.6	-56	-80.1	0	0	0	109.8	K573 A583 F584	K573-Y575 PolarHBondContact O-N 2.73Å; K573-Y575 VanDerWaalsContact O-N 3.15Å; Y575-A583 CarbonylContact O-C 3.38Å; Y575-A583 WeakPolarHBondContact O-CA 3.49Å; Y575-F584 WeakPolarHBondContact CD2-O 3.42Å; Y575-F584 PolarHBondContact N-O 3.23Å; Y575-F584 VanDerWaalsContact N-O 3.15Å; Y575-F584 PolarHBondContact O-N 3.27Å
576	K	80.6	Confident	82.6	Confident	136 Å²	136	79.1 Å²	79.1	59%	0.591	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.5	177.2	-64.5	-175.3	-180	-179.9	0	111.2	A583 L590	K576-A583 HydrophobicContact CG-CB 3.86Å; K576-L590 WeakPolarHBondContact O-CD2 3.42Å
577	C	87.6	Confident	82.7	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.007	41%	0.414	C	S	.	.			trans	-87.2	118	169.4	-177.7	0	0	0	0	108.7	E579 C580 G581 K582 F584 L590 H597	C577-E579 VanDerWaalsContact C-N 3.25Å; C577-E579 PolarHBondContact O-N 3.42Å; C577-C580 VanDerWaalsContact SG-SG 3.69Å; C577-G581 WeakPolarHBondContact O-CA 3.47Å; C577-G581 PolarHBondContact O-N 3.28Å; C577-K582 WeakPolarHBondContact CB-O 3.46Å; C577-K582 PolarHBondContact N-O 3.42Å; C577-F584 HydrophobicContact CB-CE2 4.43Å; C577-L590 HydrophobicContact CB-CD1 3.57Å; C577-H597 VanDerWaalsContact SG-CD2 3.59Å; C577-H597 PolarHBondContact SG-NE2 3.1Å
578	E	84.8	Confident	82.6	Confident	168 Å²	168	78.1 Å²	78.1	79%	0.785	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.5	179.6	-59.5	-54.1	139.6	0	0	112.7
579	E	80.3	Confident	82.8	Confident	118 Å²	118	75.7 Å²	75.7	55%	0.551	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-29.4	-175.8	-70.3	161.3	-139.7	0	0	113.6	C577 H597	C577-E579 VanDerWaalsContact C-N 3.25Å; C577-E579 PolarHBondContact O-N 3.42Å; E579-H597 WeakPolarHBondContact OE2-CB 3.43Å; E579-H597 IonicContact OE2-CD2 3.01Å; E579-H597 PolarHBondContact OE2-CD2 3.26Å; E579-H597 IonicContact OE2-CG 2.56Å
580	C	78.4	Confident	83.2	Confident	54 Å²	54	73.5 Å²	73.5	37%	0.365	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	5.2	-177.2	74.9	0	0	0	0	114.6	C577 K582 H593 H597	C577-C580 VanDerWaalsContact SG-SG 3.69Å; C580-K582 PolarHBondContact O-N 3.4Å; C580-K582 VanDerWaalsContact SG-CB 3.57Å; C580-H593 PolarHBondContact SG-NE2 2.95Å; C580-H597 VanDerWaalsContact CB-CE1 3.49Å; C580-H597 WeakPolarHBondContact CB-CE1 3.45Å; C580-H597 PolarHBondContact SG-NE2 3.38Å; C580-H597 VanDerWaalsContact SG-NE2 3.37Å
581	G	79.4	Confident	83.4	Confident	56 Å²	56	73.9 Å²	73.9	58%	0.577	40%	0.404	S	S	*	.			trans	69.1	-5.5	-178.5	0	0	0	0	0	115.5	C577 A583	C577-G581 WeakPolarHBondContact O-CA 3.47Å; C577-G581 PolarHBondContact O-N 3.28Å; G581-A583 PolarHBondContact O-N 2.84Å
582	K	81.6	Confident	83.5	Confident	131 Å²	131	73.8 Å²	73.8	57%	0.57	40%	0.395	S	S	*	.			trans	-66.5	131.2	-177.9	-73	-178.9	179.1	173.9	0	111.4	C577 C580 F584	C577-K582 WeakPolarHBondContact CB-O 3.46Å; C577-K582 PolarHBondContact N-O 3.42Å; C580-K582 PolarHBondContact O-N 3.4Å; C580-K582 VanDerWaalsContact SG-CB 3.57Å; K582-F584 HydrophobicContact CB-CE2 3.96Å; K582-F584 HydrophobicContact CB-CZ 4.07Å; K582-F584 WeakPolarHBondContact O-CE2 3.47Å
583	A	87.3	Confident	83.6	Confident	31 Å²	31	69.3 Å²	69.3	26%	0.256	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.9	-178.4	0	0	0	0	0	112	K573 Y575 K576 G581	K573-A583 HydrophobicContact CB-CB 3.53Å; K573-A583 HydrophobicContact CD-CB 4.12Å; K573-A583 WeakPolarHBondContact CD-O 3.37Å; K573-A583 HydrophobicContact CG-CB 4.41Å; Y575-A583 CarbonylContact O-C 3.38Å; Y575-A583 WeakPolarHBondContact O-CA 3.49Å; K576-A583 HydrophobicContact CG-CB 3.86Å; G581-A583 PolarHBondContact O-N 2.84Å
584	F	86.6	Confident	83.4	Confident	42 Å²	42	68 Å²	68	18%	0.184	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.9	-177.4	-58.5	-89.3	0	0	0	111.4	K573 Y575 C577 K582 Q586 N589 L590 H593	K573-F584 CarbonylContact C-O 3.24Å; K573-F584 VanDerWaalsContact C-O 3.27Å; K573-F584 VanDerWaalsContact CA-O 3.3Å; K573-F584 WeakPolarHBondContact CA-O 3.18Å; Y575-F584 WeakPolarHBondContact CD2-O 3.42Å; Y575-F584 PolarHBondContact N-O 3.23Å; Y575-F584 VanDerWaalsContact N-O 3.15Å; Y575-F584 PolarHBondContact O-N 3.27Å; C577-F584 HydrophobicContact CB-CE2 4.43Å; K582-F584 HydrophobicContact CB-CE2 3.96Å; K582-F584 HydrophobicContact CB-CZ 4.07Å; K582-F584 WeakPolarHBondContact O-CE2 3.47Å; F584-Q586 VanDerWaalsContact C-N 3.31Å; F584-N589 HydrophobicContact CB-CB 4.23Å; F584-N589 HydrophobicContact CD1-CB 3.96Å; F584-N589 HydrophobicContact CG-CB 4.32Å; F584-L590 HydrophobicContact CB-CB 4.46Å; F584-L590 HydrophobicContact CD2-CB 3.97Å; F584-L590 HydrophobicContact CD2-CD1 3.85Å; F584-L590 HydrophobicContact CE2-CD1 4.01Å; F584-L590 HydrophobicContact CG-CB 4.41Å; F584-H593 HydrophobicContact CE1-CB 4.03Å; F584-H593 HydrophobicContact CE2-CB 3.81Å; F584-H593 AromaticContact CE2-CD2 3.4Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.47Å; F584-H593 AromaticContact CE2-CG 3.56Å; F584-H593 HydrophobicContact CZ-CB 3.45Å; F584-H593 VanDerWaalsContact CZ-CB 3.45Å; F584-H593 AromaticContact CZ-CD2 3.49Å; F584-H593 VanDerWaalsContact CZ-CD2 3.49Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.25Å; F584-H593 AromaticContact CZ-CG 3.19Å; F584-H593 AromaticContact CZ-ND1 3.61Å
585	T	83.8	Confident	83.2	Confident	39 Å²	39	66.9 Å²	66.9	24%	0.239	36%	0.356	C	S	.	.	S	Bend	trans	-76.8	-18.7	177.8	55.9	0	0	0	0	112.9	R567 K573	R567-T585 PolarHBondContact NH1-O 3.09Å; K573-T585 HydrophobicContact CG-CG2 3.83Å
586	Q	84.6	Confident	82.7	Confident	66 Å²	66	68.3 Å²	68.3	31%	0.308	37%	0.368	S	S	.	.	S	Bend	trans	-136.3	143.7	-177.1	-57.6	-175	15.1	0	0	111.6	F584 S588 N589 L590	F584-Q586 VanDerWaalsContact C-N 3.31Å; Q586-S588 PolarHBondContact O-N 3.11Å; Q586-N589 PolarHBondContact O-N 3.04Å; Q586-L590 PolarHBondContact O-N 3.1Å
587	S	83.8	Confident	82.4	Confident	61 Å²	61	65.2 Å²	65.2	43%	0.427	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-38.3	179.2	55.3	0	0	0	0	113	N589 L590 T591	S587-N589 PolarHBondContact O-N 2.78Å; S587-L590 WeakPolarHBondContact O-CB 3.29Å; S587-L590 PolarHBondContact O-N 3.3Å; S587-L590 VanDerWaalsContact O-N 3.1Å; S587-T591 PolarHBondContact O-N 3.35Å; S587-T591 PolarHBondContact O-OG1 3.02Å; S587-T591 VanDerWaalsContact O-OG1 3.11Å
588	S	82.9	Confident	81.7	Confident	57 Å²	57	68.7 Å²	68.7	40%	0.399	38%	0.377	S	S	.	.	H	α-helix	trans	-57.5	-38.4	176.8	51.4	0	0	0	0	112.1	Q586 T591 T592	Q586-S588 PolarHBondContact O-N 3.11Å; S588-T591 PolarHBondContact O-N 3.31Å; S588-T592 WeakPolarHBondContact O-CG2 3.17Å; S588-T592 PolarHBondContact O-N 3.49Å; S588-T592 PolarHBondContact O-OG1 3.09Å
589	N	84.8	Confident	80.8	Confident	65 Å²	65	63 Å²	63	35%	0.348	36%	0.364	S	S	.	.	H	α-helix	trans	-71.5	-35.8	178.6	-64.1	-7.9	0	0	0	111.4	F584 Q586 S587 T592 H593	F584-N589 HydrophobicContact CB-CB 4.23Å; F584-N589 HydrophobicContact CD1-CB 3.96Å; F584-N589 HydrophobicContact CG-CB 4.32Å; Q586-N589 PolarHBondContact O-N 3.04Å; S587-N589 PolarHBondContact O-N 2.78Å; N589-T592 WeakPolarHBondContact CA-OG1 3.5Å; N589-T592 PolarHBondContact O-OG1 3.08Å; N589-H593 WeakPolarHBondContact O-CB 3.48Å; N589-H593 PolarHBondContact O-N 3.2Å
590	L	86.1	Confident	80.3	Confident	21 Å²	21	61.8 Å²	61.8	11%	0.11	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-43.7	171	174.7	62.6	0	0	0	110.8	K576 C577 F584 Q586 S587 T592 H593 K594	K576-L590 WeakPolarHBondContact O-CD2 3.42Å; C577-L590 HydrophobicContact CB-CD1 3.57Å; F584-L590 HydrophobicContact CB-CB 4.46Å; F584-L590 HydrophobicContact CD2-CB 3.97Å; F584-L590 HydrophobicContact CD2-CD1 3.85Å; F584-L590 HydrophobicContact CE2-CD1 4.01Å; F584-L590 HydrophobicContact CG-CB 4.41Å; Q586-L590 PolarHBondContact O-N 3.1Å; S587-L590 WeakPolarHBondContact O-CB 3.29Å; S587-L590 PolarHBondContact O-N 3.3Å; S587-L590 VanDerWaalsContact O-N 3.1Å; L590-T592 PolarHBondContact O-N 3.45Å; L590-H593 WeakPolarHBondContact O-CB 3.33Å; L590-H593 PolarHBondContact O-N 3.47Å; L590-K594 HydrophobicContact CD1-CG 4.22Å; L590-K594 WeakPolarHBondContact O-CG 3.47Å; L590-K594 PolarHBondContact O-N 2.92Å
591	T	82.2	Confident	79.9	Confident	85 Å²	85	65 Å²	65	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-43.9	177.8	-55.8	0	0	0	0	111.8	S587 S588 H593 K594	S587-T591 PolarHBondContact O-N 3.35Å; S587-T591 PolarHBondContact O-OG1 3.02Å; S587-T591 VanDerWaalsContact O-OG1 3.11Å; S588-T591 PolarHBondContact O-N 3.31Å; T591-H593 VanDerWaalsContact C-N 3.32Å; T591-K594 PolarHBondContact O-N 3.45Å
592	T	80.3	Confident	79.5	Confident	45 Å²	45	68 Å²	68	28%	0.276	36%	0.363	S	S	.	.	H	α-helix	trans	-68.6	-33	175.2	55.8	0	0	0	0	112.2	S588 N589 L590 K595	S588-T592 WeakPolarHBondContact O-CG2 3.17Å; S588-T592 PolarHBondContact O-N 3.49Å; S588-T592 PolarHBondContact O-OG1 3.09Å; N589-T592 WeakPolarHBondContact CA-OG1 3.5Å; N589-T592 PolarHBondContact O-OG1 3.08Å; L590-T592 PolarHBondContact O-N 3.45Å; T592-K595 WeakPolarHBondContact O-CB 3.48Å; T592-K595 PolarHBondContact O-N 2.86Å
593	H	82.8	Confident	79.3	Confident	16 Å²	16	65.7 Å²	65.7	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-42	174.9	173.8	67.3	0	0	0	112.8	C580 F584 N589 L590 T591 K595 I596 H597	C580-H593 PolarHBondContact SG-NE2 2.95Å; F584-H593 HydrophobicContact CE1-CB 4.03Å; F584-H593 HydrophobicContact CE2-CB 3.81Å; F584-H593 AromaticContact CE2-CD2 3.4Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.47Å; F584-H593 AromaticContact CE2-CG 3.56Å; F584-H593 HydrophobicContact CZ-CB 3.45Å; F584-H593 VanDerWaalsContact CZ-CB 3.45Å; F584-H593 AromaticContact CZ-CD2 3.49Å; F584-H593 VanDerWaalsContact CZ-CD2 3.49Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.25Å; F584-H593 AromaticContact CZ-CG 3.19Å; F584-H593 AromaticContact CZ-ND1 3.61Å; N589-H593 WeakPolarHBondContact O-CB 3.48Å; N589-H593 PolarHBondContact O-N 3.2Å; L590-H593 WeakPolarHBondContact O-CB 3.33Å; L590-H593 PolarHBondContact O-N 3.47Å; T591-H593 VanDerWaalsContact C-N 3.32Å; H593-K595 PolarHBondContact O-N 2.79Å; H593-K595 VanDerWaalsContact O-N 3.14Å; H593-I596 WeakPolarHBondContact O-CB 3.36Å; H593-I596 WeakPolarHBondContact O-CG1 3.12Å; H593-I596 PolarHBondContact O-N 3.17Å; H593-H597 AromaticContact CD2-NE2 3.84Å; H593-H597 AromaticContact CE1-CE1 3.98Å; H593-H597 AromaticContact CE1-NE2 3.79Å; H593-H597 AromaticContact NE2-CE1 3.72Å; H593-H597 AromaticContact NE2-NE2 3.12Å; H593-H597 PolarHBondContact NE2-NE2 3.25Å; H593-H597 VanDerWaalsContact NE2-NE2 3.12Å
594	K	79.6	Confident	78.8	Confident	88 Å²	88	71.3 Å²	71.3	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-56.8	-30.1	177.7	-76.8	-171.4	175.1	-158.8	0	112.7	L590 T591 I596 H597 T598	L590-K594 HydrophobicContact CD1-CG 4.22Å; L590-K594 WeakPolarHBondContact O-CG 3.47Å; L590-K594 PolarHBondContact O-N 2.92Å; T591-K594 PolarHBondContact O-N 3.45Å; K594-I596 PolarHBondContact O-N 3.24Å; K594-I596 VanDerWaalsContact O-N 3.13Å; K594-H597 PolarHBondContact O-N 3.02Å; K594-T598 PolarHBondContact O-N 2.78Å
595	K	81.4	Confident	78.8	Confident	47 Å²	47	69.3 Å²	69.3	20%	0.204	36%	0.361	C	S	.	.	H	α-helix	trans	-62.3	-17.8	174.3	-59.2	-173.4	179.3	-167.9	0	114.1	T592 H593 T598 G599 E600 F602	T592-K595 WeakPolarHBondContact O-CB 3.48Å; T592-K595 PolarHBondContact O-N 2.86Å; H593-K595 PolarHBondContact O-N 2.79Å; H593-K595 VanDerWaalsContact O-N 3.14Å; K595-T598 WeakPolarHBondContact CA-OG1 3.45Å; K595-G599 PolarHBondContact O-N 3.35Å; K595-E600 PolarHBondContact O-N 2.81Å; K595-F602 HydrophobicContact CD-CD2 4.45Å; K595-F602 HydrophobicContact CD-CE2 4.35Å
596	I	77.6	Confident	78.6	Confident	108 Å²	108	75.8 Å²	75.8	55%	0.554	39%	0.389	S	S	*	.	H	α-helix	trans	-73.6	-38.7	175.4	-58.6	175.4	0	0	0	110	H593 K594 G599	H593-I596 WeakPolarHBondContact O-CB 3.36Å; H593-I596 WeakPolarHBondContact O-CG1 3.12Å; H593-I596 PolarHBondContact O-N 3.17Å; K594-I596 PolarHBondContact O-N 3.24Å; K594-I596 VanDerWaalsContact O-N 3.13Å; I596-G599 PolarHBondContact O-N 3.4Å
597	H	74.9	Confident	78.4	Confident	70 Å²	70	78.3 Å²	78.3	32%	0.324	40%	0.4	S	S	.	.	H	α-helix	trans	-77.3	-36.9	-179.4	-56.6	-46.8	0	0	0	112.4	C577 E579 C580 H593 K594 G599	C577-H597 VanDerWaalsContact SG-CD2 3.59Å; C577-H597 PolarHBondContact SG-NE2 3.1Å; E579-H597 WeakPolarHBondContact OE2-CB 3.43Å; E579-H597 IonicContact OE2-CD2 3.01Å; E579-H597 PolarHBondContact OE2-CD2 3.26Å; E579-H597 IonicContact OE2-CG 2.56Å; C580-H597 VanDerWaalsContact CB-CE1 3.49Å; C580-H597 WeakPolarHBondContact CB-CE1 3.45Å; C580-H597 PolarHBondContact SG-NE2 3.38Å; C580-H597 VanDerWaalsContact SG-NE2 3.37Å; H593-H597 AromaticContact CD2-NE2 3.84Å; H593-H597 AromaticContact CE1-CE1 3.98Å; H593-H597 AromaticContact CE1-NE2 3.79Å; H593-H597 AromaticContact NE2-CE1 3.72Å; H593-H597 AromaticContact NE2-NE2 3.12Å; H593-H597 PolarHBondContact NE2-NE2 3.25Å; H593-H597 VanDerWaalsContact NE2-NE2 3.12Å; K594-H597 PolarHBondContact O-N 3.02Å; H597-G599 PolarHBondContact O-N 3.15Å
598	T	72.3	Confident	78.3	Confident	75 Å²	75	78 Å²	78	46%	0.46	40%	0.397	S	S	.	.	S	Bend	trans	-73.3	-11.9	174.6	63.1	0	0	0	0	112.6	K594 K595 E600	K594-T598 PolarHBondContact O-N 2.78Å; K595-T598 WeakPolarHBondContact CA-OG1 3.45Å; T598-E600 PolarHBondContact O-N 3.33Å; T598-E600 VanDerWaalsContact O-N 3.09Å; T598-E600 WeakPolarHBondContact OG1-CG 3.35Å; T598-E600 PolarHBondContact OG1-OE2 2.98Å; T598-E600 VanDerWaalsContact OG1-OE2 3.11Å
599	G	66.6	Low	78	Confident	49 Å²	49	78 Å²	78	51%	0.505	41%	0.406	S	S	.	.			trans	65.5	6.1	-175.5	0	0	0	0	0	114.1	K595 I596 H597 K601	K595-G599 PolarHBondContact O-N 3.35Å; I596-G599 PolarHBondContact O-N 3.4Å; H597-G599 PolarHBondContact O-N 3.15Å; G599-K601 PolarHBondContact O-N 2.87Å
600	E	68.6	Low	77.7	Confident	92 Å²	92	81.2 Å²	81.2	43%	0.43	42%	0.417	S	S	.	.			trans	-71.3	101	-172.8	-69.3	173.9	151.6	0	0	111.6	K595 T598 F602	K595-E600 PolarHBondContact O-N 2.81Å; T598-E600 PolarHBondContact O-N 3.33Å; T598-E600 VanDerWaalsContact O-N 3.09Å; T598-E600 WeakPolarHBondContact OG1-CG 3.35Å; T598-E600 PolarHBondContact OG1-OE2 2.98Å; T598-E600 VanDerWaalsContact OG1-OE2 3.11Å; E600-F602 HydrophobicContact CB-CD2 4.19Å; E600-F602 HydrophobicContact CB-CE1 4.44Å; E600-F602 HydrophobicContact CB-CE2 3.47Å; E600-F602 VanDerWaalsContact CB-CE2 3.47Å; E600-F602 HydrophobicContact CB-CZ 3.62Å; E600-F602 HydrophobicContact CG-CE2 4.29Å; E600-F602 HydrophobicContact CG-CZ 3.99Å; E600-F602 WeakPolarHBondContact OE2-CZ 3.44Å
601	K	70.4	Confident	77.5	Confident	121 Å²	121	81.5 Å²	81.5	53%	0.526	42%	0.423	S	S	.	.			trans	-100.3	89.2	174.3	-66.6	169	173.6	-178.6	0	110.1	G599 A611 F612 T613	G599-K601 PolarHBondContact O-N 2.87Å; K601-A611 HydrophobicContact CB-CB 3.48Å; K601-A611 VanDerWaalsContact CB-CB 3.48Å; K601-A611 HydrophobicContact CD-CB 3.96Å; K601-A611 WeakPolarHBondContact CD-O 3.36Å; K601-A611 HydrophobicContact CG-CB 4.31Å; K601-F612 CarbonylContact C-O 3.29Å; K601-T613 HydrophobicContact CG-CG2 4.06Å
602	F	71.3	Confident	77.4	Confident	119 Å²	119	79.5 Å²	79.5	52%	0.522	41%	0.407	S	S	.	.			trans	-75.5	-24.7	-177.2	-63	-74	0	0	0	114.4	K595 E600 K604 F612	K595-F602 HydrophobicContact CD-CD2 4.45Å; K595-F602 HydrophobicContact CD-CE2 4.35Å; E600-F602 HydrophobicContact CB-CD2 4.19Å; E600-F602 HydrophobicContact CB-CE1 4.44Å; E600-F602 HydrophobicContact CB-CE2 3.47Å; E600-F602 VanDerWaalsContact CB-CE2 3.47Å; E600-F602 HydrophobicContact CB-CZ 3.62Å; E600-F602 HydrophobicContact CG-CE2 4.29Å; E600-F602 HydrophobicContact CG-CZ 3.99Å; E600-F602 WeakPolarHBondContact OE2-CZ 3.44Å; F602-K604 PolarHBondContact O-N 3.44Å; F602-F612 PolarHBondContact N-O 3.21Å
603	Y	78.4	Confident	77.2	Confident	83 Å²	83	78.9 Å²	78.9	33%	0.325	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	89.5	-170.9	-58.1	-75.3	0	0	0	110.1	A611 F612	Y603-A611 CarbonylContact O-C 3.55Å; Y603-A611 WeakPolarHBondContact O-CA 3.32Å; Y603-F612 PolarHBondContact N-O 3.06Å; Y603-F612 VanDerWaalsContact N-O 3.1Å; Y603-F612 PolarHBondContact O-N 2.88Å
604	K	76.8	Confident	77.1	Confident	148 Å²	148	81.4 Å²	81.4	64%	0.643	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.9	178.1	-63.4	-176.2	-179.9	179.7	0	111	F602 A611	F602-K604 PolarHBondContact O-N 3.44Å; K604-A611 HydrophobicContact CG-CB 3.87Å
605	C	84.8	Confident	77.1	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.007	42%	0.418	C	S	.	.			trans	-82.4	122.5	166.3	-177.9	0	0	0	0	108.8	E607 G609 K610 L618 H625	C605-E607 VanDerWaalsContact C-N 3.29Å; C605-E607 PolarHBondContact O-N 2.86Å; C605-G609 WeakPolarHBondContact O-CA 3.42Å; C605-G609 PolarHBondContact O-N 3.3Å; C605-K610 WeakPolarHBondContact CB-O 2.82Å; C605-K610 PolarHBondContact N-O 3.1Å; C605-L618 HydrophobicContact CB-CD1 3.64Å; C605-H625 VanDerWaalsContact SG-CD2 3.5Å; C605-H625 PolarHBondContact SG-NE2 2.64Å
606	E	81.3	Confident	77	Confident	174 Å²	174	80.7 Å²	80.7	81%	0.813	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.2	-179.6	-69.1	168.4	165.8	0	0	112
607	E	80	Confident	77.2	Confident	119 Å²	119	78.8 Å²	78.8	56%	0.556	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-26.9	-175.3	-66.8	166.6	-125.3	0	0	114.3	C605 H625	C605-E607 VanDerWaalsContact C-N 3.29Å; C605-E607 PolarHBondContact O-N 2.86Å; E607-H625 WeakPolarHBondContact OE2-CB 3.49Å; E607-H625 IonicContact OE2-CD2 3.22Å; E607-H625 PolarHBondContact OE2-CD2 3.03Å; E607-H625 IonicContact OE2-CG 3.05Å; E607-H625 VanDerWaalsContact OE2-CG 3.27Å
608	C	80.3	Confident	77.6	Confident	54 Å²	54	76.4 Å²	76.4	37%	0.365	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	5.9	-177.9	75.7	0	0	0	0	114.5	K610 H621 H625	C608-K610 PolarHBondContact O-N 2.92Å; C608-K610 VanDerWaalsContact SG-CB 3.6Å; C608-H621 PolarHBondContact SG-NE2 3.2Å; C608-H625 PolarHBondContact SG-NE2 3.25Å; C608-H625 VanDerWaalsContact SG-NE2 3.39Å
609	G	77.8	Confident	78	Confident	57 Å²	57	76.9 Å²	76.9	59%	0.588	41%	0.411	S	S	*	.			trans	68.4	-5.8	-179.2	0	0	0	0	0	115.6	C605 A611	C605-G609 WeakPolarHBondContact O-CA 3.42Å; C605-G609 PolarHBondContact O-N 3.3Å; G609-A611 PolarHBondContact O-N 2.76Å
610	K	78.9	Confident	78.5	Confident	133 Å²	133	76.6 Å²	76.6	58%	0.578	40%	0.399	S	S	*	.			trans	-64.6	128.3	-178.1	-76	-178.7	178.3	173.1	0	111.3	C605 C608 F612	C605-K610 WeakPolarHBondContact CB-O 2.82Å; C605-K610 PolarHBondContact N-O 3.1Å; C608-K610 PolarHBondContact O-N 2.92Å; C608-K610 VanDerWaalsContact SG-CB 3.6Å; K610-F612 HydrophobicContact CB-CE2 3.94Å; K610-F612 HydrophobicContact CB-CZ 4.09Å; K610-F612 WeakPolarHBondContact O-CE2 3.46Å
611	A	80.8	Confident	79.1	Confident	27 Å²	27	73 Å²	73	22%	0.223	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.4	-177.5	0	0	0	0	0	112	K601 Y603 K604 G609	K601-A611 HydrophobicContact CB-CB 3.48Å; K601-A611 VanDerWaalsContact CB-CB 3.48Å; K601-A611 HydrophobicContact CD-CB 3.96Å; K601-A611 WeakPolarHBondContact CD-O 3.36Å; K601-A611 HydrophobicContact CG-CB 4.31Å; Y603-A611 CarbonylContact O-C 3.55Å; Y603-A611 WeakPolarHBondContact O-CA 3.32Å; K604-A611 HydrophobicContact CG-CB 3.87Å; G609-A611 PolarHBondContact O-N 2.76Å
612	F	80.6	Confident	79.5	Confident	43 Å²	43	70.9 Å²	70.9	19%	0.189	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	152	-176.5	-58.9	-90.1	0	0	0	111.2	K601 F602 Y603 K610 N617 L618 H621	K601-F612 CarbonylContact C-O 3.29Å; F602-F612 PolarHBondContact N-O 3.21Å; Y603-F612 PolarHBondContact N-O 3.06Å; Y603-F612 VanDerWaalsContact N-O 3.1Å; Y603-F612 PolarHBondContact O-N 2.88Å; K610-F612 HydrophobicContact CB-CE2 3.94Å; K610-F612 HydrophobicContact CB-CZ 4.09Å; K610-F612 WeakPolarHBondContact O-CE2 3.46Å; F612-N617 HydrophobicContact CB-CB 4.19Å; F612-N617 HydrophobicContact CD1-CB 3.88Å; F612-N617 HydrophobicContact CG-CB 4.26Å; F612-L618 HydrophobicContact CB-CB 4.47Å; F612-L618 HydrophobicContact CD2-CB 4.01Å; F612-L618 HydrophobicContact CD2-CD1 3.87Å; F612-L618 HydrophobicContact CE2-CD1 4.05Å; F612-L618 HydrophobicContact CG-CB 4.43Å; F612-H621 HydrophobicContact CE1-CB 4.08Å; F612-H621 HydrophobicContact CE2-CB 3.78Å; F612-H621 AromaticContact CE2-CD2 3.43Å; F612-H621 VanDerWaalsContact CE2-CD2 3.43Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.33Å; F612-H621 AromaticContact CE2-CG 3.54Å; F612-H621 HydrophobicContact CZ-CB 3.44Å; F612-H621 VanDerWaalsContact CZ-CB 3.44Å; F612-H621 AromaticContact CZ-CD2 3.58Å; F612-H621 AromaticContact CZ-CG 3.22Å; F612-H621 AromaticContact CZ-ND1 3.62Å
613	T	76.8	Confident	79.9	Confident	33 Å²	33	68 Å²	68	20%	0.202	36%	0.36	C	S	.	.	S	Bend	trans	-82	-17.6	177.9	54.1	0	0	0	0	113.2	K601	K601-T613 HydrophobicContact CG-CG2 4.06Å
614	Q	79.4	Confident	79.8	Confident	69 Å²	69	68.8 Å²	68.8	32%	0.322	37%	0.369	S	S	.	.	S	Bend	trans	-133.5	143.3	-179.2	-60	-177.9	14.5	0	0	111.1	N617 L618	Q614-N617 PolarHBondContact O-N 2.91Å; Q614-L618 PolarHBondContact O-N 3.01Å
615	S	79.9	Confident	79.7	Confident	63 Å²	63	64.9 Å²	64.9	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-37.8	-179.6	55.5	0	0	0	0	113	N617 L618 T619	S615-N617 PolarHBondContact O-N 3.27Å; S615-L618 WeakPolarHBondContact O-CB 3.38Å; S615-L618 PolarHBondContact O-N 3.15Å; S615-L618 VanDerWaalsContact O-N 3.1Å; S615-T619 PolarHBondContact O-N 3Å; S615-T619 PolarHBondContact O-OG1 2.79Å; S615-T619 VanDerWaalsContact O-OG1 3.08Å
616	S	79.8	Confident	78.9	Confident	57 Å²	57	69.7 Å²	69.7	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-57.2	-38.5	175.4	50.3	0	0	0	0	112.4	T619 T620	S616-T619 PolarHBondContact O-N 2.89Å; S616-T620 WeakPolarHBondContact O-CG2 3.21Å; S616-T620 PolarHBondContact O-N 3.48Å; S616-T620 PolarHBondContact O-OG1 2.88Å
617	N	81.2	Confident	78.2	Confident	67 Å²	67	64 Å²	64	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-69	-39.7	177	-66	-13.6	0	0	0	111.1	F612 Q614 S615 T620 H621	F612-N617 HydrophobicContact CB-CB 4.19Å; F612-N617 HydrophobicContact CD1-CB 3.88Å; F612-N617 HydrophobicContact CG-CB 4.26Å; Q614-N617 PolarHBondContact O-N 2.91Å; S615-N617 PolarHBondContact O-N 3.27Å; N617-T620 WeakPolarHBondContact CA-OG1 2.98Å; N617-T620 PolarHBondContact O-OG1 2.8Å; N617-H621 WeakPolarHBondContact O-CB 3.33Å; N617-H621 PolarHBondContact O-N 3.4Å
618	L	83.3	Confident	77.6	Confident	21 Å²	21	59.6 Å²	59.6	11%	0.11	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-45	171.4	176.1	63.1	0	0	0	111.5	C605 F612 Q614 S615 T620 H621 K622	C605-L618 HydrophobicContact CB-CD1 3.64Å; F612-L618 HydrophobicContact CB-CB 4.47Å; F612-L618 HydrophobicContact CD2-CB 4.01Å; F612-L618 HydrophobicContact CD2-CD1 3.87Å; F612-L618 HydrophobicContact CE2-CD1 4.05Å; F612-L618 HydrophobicContact CG-CB 4.43Å; Q614-L618 PolarHBondContact O-N 3.01Å; S615-L618 WeakPolarHBondContact O-CB 3.38Å; S615-L618 PolarHBondContact O-N 3.15Å; S615-L618 VanDerWaalsContact O-N 3.1Å; L618-T620 VanDerWaalsContact C-N 3.35Å; L618-T620 PolarHBondContact O-N 3.13Å; L618-H621 WeakPolarHBondContact O-CB 3.41Å; L618-H621 PolarHBondContact O-N 2.81Å; L618-H621 VanDerWaalsContact O-N 3.15Å; L618-K622 HydrophobicContact CD1-CG 4.18Å; L618-K622 HydrophobicContact CG-CG 4.44Å; L618-K622 WeakPolarHBondContact O-CG 3.43Å; L618-K622 PolarHBondContact O-N 2.8Å
619	T	80.6	Confident	77.2	Confident	85 Å²	85	62.9 Å²	62.9	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-43.1	178.9	-54.6	0	0	0	0	111.8	S615 S616 H621	S615-T619 PolarHBondContact O-N 3Å; S615-T619 PolarHBondContact O-OG1 2.79Å; S615-T619 VanDerWaalsContact O-OG1 3.08Å; S616-T619 PolarHBondContact O-N 2.89Å; T619-H621 VanDerWaalsContact C-N 3.34Å
620	T	77.8	Confident	77.1	Confident	42 Å²	42	64.1 Å²	64.1	26%	0.258	36%	0.363	S	S	.	.	H	α-helix	trans	-68.3	-34.2	175	50.8	0	0	0	0	112.6	S616 N617 L618 K623 Q642	S616-T620 WeakPolarHBondContact O-CG2 3.21Å; S616-T620 PolarHBondContact O-N 3.48Å; S616-T620 PolarHBondContact O-OG1 2.88Å; N617-T620 WeakPolarHBondContact CA-OG1 2.98Å; N617-T620 PolarHBondContact O-OG1 2.8Å; L618-T620 VanDerWaalsContact C-N 3.35Å; L618-T620 PolarHBondContact O-N 3.13Å; T620-K623 WeakPolarHBondContact O-CB 3.38Å; T620-K623 PolarHBondContact O-N 3.33Å; T620-Q642 HydrophobicContact CG2-CG 4.48Å
621	H	81.1	Confident	77.2	Confident	18 Å²	18	61.5 Å²	61.5	8%	0.083	35%	0.35	C	S	.	.	H	α-helix	trans	-67.6	-42.2	174.6	174	69.1	0	0	0	112.8	C608 F612 N617 L618 T619 K623 I624 H625	C608-H621 PolarHBondContact SG-NE2 3.2Å; F612-H621 HydrophobicContact CE1-CB 4.08Å; F612-H621 HydrophobicContact CE2-CB 3.78Å; F612-H621 AromaticContact CE2-CD2 3.43Å; F612-H621 VanDerWaalsContact CE2-CD2 3.43Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.33Å; F612-H621 AromaticContact CE2-CG 3.54Å; F612-H621 HydrophobicContact CZ-CB 3.44Å; F612-H621 VanDerWaalsContact CZ-CB 3.44Å; F612-H621 AromaticContact CZ-CD2 3.58Å; F612-H621 AromaticContact CZ-CG 3.22Å; F612-H621 AromaticContact CZ-ND1 3.62Å; N617-H621 WeakPolarHBondContact O-CB 3.33Å; N617-H621 PolarHBondContact O-N 3.4Å; L618-H621 WeakPolarHBondContact O-CB 3.41Å; L618-H621 PolarHBondContact O-N 2.81Å; L618-H621 VanDerWaalsContact O-N 3.15Å; T619-H621 VanDerWaalsContact C-N 3.34Å; H621-K623 PolarHBondContact O-N 3.13Å; H621-K623 VanDerWaalsContact O-N 3.1Å; H621-I624 VanDerWaalsContact O-CB 3.24Å; H621-I624 WeakPolarHBondContact O-CB 3.44Å; H621-I624 WeakPolarHBondContact O-CG1 3.04Å; H621-I624 PolarHBondContact O-N 2.96Å; H621-H625 AromaticContact CD2-NE2 3.94Å; H621-H625 AromaticContact CE1-NE2 3.88Å; H621-H625 AromaticContact NE2-CE1 3.76Å; H621-H625 AromaticContact NE2-NE2 3.21Å; H621-H625 PolarHBondContact NE2-NE2 3.28Å
622	K	78.7	Confident	77.1	Confident	75 Å²	75	66.8 Å²	66.8	33%	0.326	37%	0.367	S	S	.	.	H	α-helix	trans	-56.8	-27.4	177.1	-75.3	-167.1	175	-157.9	0	112.7	L618 I624 H625 T626	L618-K622 HydrophobicContact CD1-CG 4.18Å; L618-K622 HydrophobicContact CG-CG 4.44Å; L618-K622 WeakPolarHBondContact O-CG 3.43Å; L618-K622 PolarHBondContact O-N 2.8Å; K622-I624 PolarHBondContact O-N 3.06Å; K622-H625 PolarHBondContact O-N 3.22Å; K622-T626 PolarHBondContact O-N 3.1Å; K622-T626 PolarHBondContact O-OG1 2.66Å
623	K	79.3	Confident	77.4	Confident	60 Å²	60	64.8 Å²	64.8	26%	0.261	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-18.3	174.3	-61.2	-176.9	-179.7	-171.6	0	114.1	T620 H621 T626 G628	T620-K623 WeakPolarHBondContact O-CB 3.38Å; T620-K623 PolarHBondContact O-N 3.33Å; H621-K623 PolarHBondContact O-N 3.13Å; H621-K623 VanDerWaalsContact O-N 3.1Å; K623-T626 WeakPolarHBondContact CA-OG1 3.35Å; K623-G628 PolarHBondContact O-N 3.17Å
624	I	76	Confident	77.6	Confident	99 Å²	99	71.2 Å²	71.2	51%	0.508	39%	0.387	S	S	.	.	H	α-helix	trans	-72.5	-40.4	175.7	-59.1	174.9	0	0	0	109.8	H621 K622 G627	H621-I624 VanDerWaalsContact O-CB 3.24Å; H621-I624 WeakPolarHBondContact O-CB 3.44Å; H621-I624 WeakPolarHBondContact O-CG1 3.04Å; H621-I624 PolarHBondContact O-N 2.96Å; K622-I624 PolarHBondContact O-N 3.06Å; I624-G627 PolarHBondContact O-N 2.77Å
625	H	74.8	Confident	77.7	Confident	65 Å²	65	73.7 Å²	73.7	30%	0.301	40%	0.398	S	S	.	.	H	α-helix	trans	-76.4	-37.9	-178.1	-55	-47.2	0	0	0	112.9	C605 E607 C608 H621 K622 G627	C605-H625 VanDerWaalsContact SG-CD2 3.5Å; C605-H625 PolarHBondContact SG-NE2 2.64Å; E607-H625 WeakPolarHBondContact OE2-CB 3.49Å; E607-H625 IonicContact OE2-CD2 3.22Å; E607-H625 PolarHBondContact OE2-CD2 3.03Å; E607-H625 IonicContact OE2-CG 3.05Å; E607-H625 VanDerWaalsContact OE2-CG 3.27Å; C608-H625 PolarHBondContact SG-NE2 3.25Å; C608-H625 VanDerWaalsContact SG-NE2 3.39Å; H621-H625 AromaticContact CD2-NE2 3.94Å; H621-H625 AromaticContact CE1-NE2 3.88Å; H621-H625 AromaticContact NE2-CE1 3.76Å; H621-H625 AromaticContact NE2-NE2 3.21Å; H621-H625 PolarHBondContact NE2-NE2 3.28Å; K622-H625 PolarHBondContact O-N 3.22Å; H625-G627 PolarHBondContact O-N 3.45Å; H625-G627 VanDerWaalsContact O-N 3.1Å
626	T	69.3	Low	77.9	Confident	102 Å²	102	73.2 Å²	73.2	63%	0.626	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	0.5	175.2	58.1	0	0	0	0	113.3	K622 K623 G628	K622-T626 PolarHBondContact O-N 3.1Å; K622-T626 PolarHBondContact O-OG1 2.66Å; K623-T626 WeakPolarHBondContact CA-OG1 3.35Å; T626-G628 PolarHBondContact O-N 3.21Å
627	G	66	Low	77.9	Confident	56 Å²	56	73.1 Å²	73.1	58%	0.577	40%	0.403	S	S	*	.			trans	61.4	3.7	-174.9	0	0	0	0	0	114.2	I624 H625 K629	I624-G627 PolarHBondContact O-N 2.77Å; H625-G627 PolarHBondContact O-N 3.45Å; H625-G627 VanDerWaalsContact O-N 3.1Å; G627-K629 PolarHBondContact O-N 2.88Å
628	G	66.5	Low	77.9	Confident	25 Å²	25	76.2 Å²	76.2	26%	0.258	41%	0.413	S	S	.	.			trans	-67.2	101.2	-173.9	0	0	0	0	0	110.3	K623 T626 P630	K623-G628 PolarHBondContact O-N 3.17Å; T626-G628 PolarHBondContact O-N 3.21Å; G628-P630 VanDerWaalsContact O-CD 3.29Å; G628-P630 WeakPolarHBondContact O-CD 3.48Å
629	K	73.4	Confident	77.9	Confident	124 Å²	124	76.5 Å²	76.5	54%	0.539	42%	0.418	S	S	.	.			trans	-106.8	78	165.7	-70.2	168.8	167.6	-175	0	108.2	G627 Y631 A639 F640	G627-K629 PolarHBondContact O-N 2.88Å; K629-Y631 PolarHBondContact O-N 3.12Å; K629-A639 HydrophobicContact CB-CB 3.44Å; K629-A639 VanDerWaalsContact CB-CB 3.44Å; K629-A639 HydrophobicContact CD-CB 3.93Å; K629-A639 VanDerWaalsContact CD-O 3.29Å; K629-A639 WeakPolarHBondContact CD-O 3.2Å; K629-A639 HydrophobicContact CG-CB 4.29Å; K629-F640 CarbonylContact C-O 3.58Å; K629-F640 VanDerWaalsContact CA-O 3.26Å; K629-F640 WeakPolarHBondContact CA-O 2.81Å
630	P	75.9	Confident	77.9	Confident	82 Å²	82	74.4 Å²	74.4	53%	0.532	40%	0.402	S	S	.	.			trans	-71.8	-17.5	-170.2	-9.9	28.2	0	0	0	111.9	G628 F640	G628-P630 VanDerWaalsContact O-CD 3.29Å; G628-P630 WeakPolarHBondContact O-CD 3.48Å; P630-F640 WeakPolarHBondContact CD-O 3.41Å
631	Y	79.4	Confident	77.9	Confident	78 Å²	78	74.8 Å²	74.8	31%	0.306	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	89.8	-173.1	-54.3	-70.2	0	0	0	108.9	K629 A639 F640 F643	K629-Y631 PolarHBondContact O-N 3.12Å; Y631-A639 CarbonylContact O-C 3.54Å; Y631-A639 WeakPolarHBondContact O-CA 3.21Å; Y631-F640 PolarHBondContact N-O 3.06Å; Y631-F640 PolarHBondContact O-N 3.48Å; Y631-F643 HydrophobicContact CD1-CB 4.02Å; Y631-F643 AromaticContact CD1-CD2 3.85Å; Y631-F643 HydrophobicContact CD1-CD2 3.85Å; Y631-F643 HydrophobicContact CD1-CG 4.45Å; Y631-F643 HydrophobicContact CD2-CB 4.47Å; Y631-F643 HydrophobicContact CE1-CB 3.85Å; Y631-F643 HydrophobicContact CE1-CD2 4.08Å; Y631-F643 HydrophobicContact CE1-CG 4.43Å; Y631-F643 HydrophobicContact CE2-CB 4.31Å; Y631-F643 HydrophobicContact CG-CB 4.32Å
632	K	80.2	Confident	77.8	Confident	138 Å²	138	77.2 Å²	77.2	60%	0.6	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.5	175.6	-64	-175.7	179.8	179.4	0	110.5	A639	K632-A639 HydrophobicContact CG-CB 3.87Å
633	C	86.2	Confident	77.8	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.007	42%	0.424	C	S	.	.			trans	-86.3	118.3	168.2	177.2	0	0	0	0	108.4	E635 C636 G637 K638 F640 L646 H653	C633-E635 VanDerWaalsContact C-N 3.27Å; C633-E635 PolarHBondContact O-N 3.25Å; C633-C636 VanDerWaalsContact SG-SG 3.64Å; C633-G637 WeakPolarHBondContact O-CA 3.39Å; C633-G637 PolarHBondContact O-N 3.2Å; C633-K638 WeakPolarHBondContact CB-O 3.34Å; C633-K638 PolarHBondContact N-O 2.94Å; C633-F640 HydrophobicContact CB-CE2 4.31Å; C633-L646 HydrophobicContact CB-CD1 3.6Å; C633-H653 VanDerWaalsContact SG-CD2 3.59Å; C633-H653 PolarHBondContact SG-NE2 2.82Å
634	E	81.9	Confident	77.8	Confident	168 Å²	168	79.6 Å²	79.6	79%	0.785	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.4	179.5	-57.7	-56.1	146.5	0	0	112.4
635	E	81.3	Confident	78.1	Confident	121 Å²	121	77 Å²	77	57%	0.565	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.9	-174.4	-68	163.6	161.7	0	0	114.4	C633 H653	C633-E635 VanDerWaalsContact C-N 3.27Å; C633-E635 PolarHBondContact O-N 3.25Å; E635-H653 WeakPolarHBondContact OE2-CB 3.48Å; E635-H653 IonicContact OE2-CD2 2.84Å; E635-H653 PolarHBondContact OE2-CD2 3.29Å; E635-H653 IonicContact OE2-CG 3.04Å
636	C	83.5	Confident	78.6	Confident	54 Å²	54	74.3 Å²	74.3	37%	0.365	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	8.4	-177.9	73.2	0	0	0	0	114.6	C633 K638 H649 H653	C633-C636 VanDerWaalsContact SG-SG 3.64Å; C636-K638 PolarHBondContact O-N 3.5Å; C636-H649 PolarHBondContact SG-NE2 3.01Å; C636-H653 VanDerWaalsContact SG-CE1 3.54Å; C636-H653 PolarHBondContact SG-NE2 2.81Å
637	G	79.4	Confident	79.1	Confident	55 Å²	55	72.6 Å²	72.6	57%	0.567	40%	0.398	S	S	*	.			trans	67	-5.3	-179.3	0	0	0	0	0	115.5	C633 A639	C633-G637 WeakPolarHBondContact O-CA 3.39Å; C633-G637 PolarHBondContact O-N 3.2Å; G637-A639 PolarHBondContact O-N 3.11Å
638	K	82.1	Confident	79.8	Confident	131 Å²	131	76.3 Å²	76.3	57%	0.57	40%	0.398	S	S	*	.			trans	-65.4	126.2	-177.7	-74.7	-178.5	179.7	172.7	0	111	C633 C636 F640	C633-K638 WeakPolarHBondContact CB-O 3.34Å; C633-K638 PolarHBondContact N-O 2.94Å; C636-K638 PolarHBondContact O-N 3.5Å; K638-F640 HydrophobicContact CB-CE2 3.91Å; K638-F640 HydrophobicContact CB-CZ 4.04Å; K638-F640 WeakPolarHBondContact O-CD2 3.24Å; K638-F640 VanDerWaalsContact O-CE2 3.27Å; K638-F640 WeakPolarHBondContact O-CE2 3.45Å
639	A	82.2	Confident	80.6	Confident	27 Å²	27	75.9 Å²	75.9	22%	0.223	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.6	-178.3	0	0	0	0	0	111.8	K629 Y631 K632 G637	K629-A639 HydrophobicContact CB-CB 3.44Å; K629-A639 VanDerWaalsContact CB-CB 3.44Å; K629-A639 HydrophobicContact CD-CB 3.93Å; K629-A639 VanDerWaalsContact CD-O 3.29Å; K629-A639 WeakPolarHBondContact CD-O 3.2Å; K629-A639 HydrophobicContact CG-CB 4.29Å; Y631-A639 CarbonylContact O-C 3.54Å; Y631-A639 WeakPolarHBondContact O-CA 3.21Å; K632-A639 HydrophobicContact CG-CB 3.87Å; G637-A639 PolarHBondContact O-N 3.11Å
640	F	81.9	Confident	80.9	Confident	42 Å²	42	74.5 Å²	74.5	18%	0.184	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.4	-176.3	-59.4	-89.9	0	0	0	111.4	K629 P630 Y631 C633 K638 L646 H649	K629-F640 CarbonylContact C-O 3.58Å; K629-F640 VanDerWaalsContact CA-O 3.26Å; K629-F640 WeakPolarHBondContact CA-O 2.81Å; P630-F640 WeakPolarHBondContact CD-O 3.41Å; Y631-F640 PolarHBondContact N-O 3.06Å; Y631-F640 PolarHBondContact O-N 3.48Å; C633-F640 HydrophobicContact CB-CE2 4.31Å; K638-F640 HydrophobicContact CB-CE2 3.91Å; K638-F640 HydrophobicContact CB-CZ 4.04Å; K638-F640 WeakPolarHBondContact O-CD2 3.24Å; K638-F640 VanDerWaalsContact O-CE2 3.27Å; K638-F640 WeakPolarHBondContact O-CE2 3.45Å; F640-L646 HydrophobicContact CB-CB 4.37Å; F640-L646 HydrophobicContact CD2-CB 3.96Å; F640-L646 HydrophobicContact CD2-CD1 3.77Å; F640-L646 HydrophobicContact CD2-CG 4.47Å; F640-L646 HydrophobicContact CE2-CD1 3.95Å; F640-L646 HydrophobicContact CG-CB 4.32Å; F640-H649 HydrophobicContact CE1-CB 4.05Å; F640-H649 HydrophobicContact CE2-CB 3.9Å; F640-H649 AromaticContact CE2-CD2 3.35Å; F640-H649 WeakPolarHBondContact CE2-CD2 3.29Å; F640-H649 AromaticContact CE2-CG 3.59Å; F640-H649 AromaticContact CE2-NE2 3.96Å; F640-H649 HydrophobicContact CZ-CB 3.49Å; F640-H649 VanDerWaalsContact CZ-CB 3.49Å; F640-H649 AromaticContact CZ-CD2 3.45Å; F640-H649 VanDerWaalsContact CZ-CD2 3.45Å; F640-H649 WeakPolarHBondContact CZ-CD2 3.5Å; F640-H649 AromaticContact CZ-CG 3.2Å; F640-H649 AromaticContact CZ-ND1 3.6Å; F640-H649 AromaticContact CZ-NE2 3.93Å
641	N	76.4	Confident	81.2	Confident	50 Å²	50	72.4 Å²	72.4	27%	0.267	37%	0.367	S	S	.	.	S	Bend	trans	-83.7	-14.7	177.9	61.3	10.4	0	0	0	113.3
642	Q	78.9	Confident	81.2	Confident	69 Å²	69	72.6 Å²	72.6	32%	0.322	37%	0.373	S	S	.	.	S	Bend	trans	-130.6	142.6	178	-64.1	179.4	9.9	0	0	111.3	T620 T645 L646	T620-Q642 HydrophobicContact CG2-CG 4.48Å; Q642-T645 HydrophobicContact CB-CG2 4.35Å; Q642-T645 PolarHBondContact O-N 3.29Å; Q642-T645 PolarHBondContact O-OG1 2.92Å; Q642-L646 PolarHBondContact O-N 3.05Å
643	F	79.1	Confident	81.1	Confident	123 Å²	123	69.1 Å²	69.1	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-40	176.1	-177	-101.5	0	0	0	111.9	Y631 T645 L646 T647	Y631-F643 HydrophobicContact CD1-CB 4.02Å; Y631-F643 AromaticContact CD1-CD2 3.85Å; Y631-F643 HydrophobicContact CD1-CD2 3.85Å; Y631-F643 HydrophobicContact CD1-CG 4.45Å; Y631-F643 HydrophobicContact CD2-CB 4.47Å; Y631-F643 HydrophobicContact CE1-CB 3.85Å; Y631-F643 HydrophobicContact CE1-CD2 4.08Å; Y631-F643 HydrophobicContact CE1-CG 4.43Å; Y631-F643 HydrophobicContact CE2-CB 4.31Å; Y631-F643 HydrophobicContact CG-CB 4.32Å; F643-T645 PolarHBondContact O-N 3.31Å; F643-L646 WeakPolarHBondContact O-CA 3.49Å; F643-L646 WeakPolarHBondContact O-CB 3.37Å; F643-L646 PolarHBondContact O-N 3.16Å; F643-T647 WeakPolarHBondContact CE1-OG1 3.32Å; F643-T647 PolarHBondContact O-N 3.32Å; F643-T647 PolarHBondContact O-OG1 3.37Å; F643-T647 VanDerWaalsContact O-OG1 3.06Å
644	S	79.9	Confident	80.3	Confident	61 Å²	61	72.2 Å²	72.2	43%	0.427	38%	0.377	S	S	.	.	H	α-helix	trans	-59.4	-34.1	178.5	57.6	0	0	0	0	113.2	K648	S644-K648 WeakPolarHBondContact O-CG 3.47Å; S644-K648 PolarHBondContact O-N 3.02Å; S644-K648 VanDerWaalsContact O-N 3.13Å
645	T	82.2	Confident	79.4	Confident	45 Å²	45	71.3 Å²	71.3	28%	0.276	37%	0.373	S	S	.	.	H	α-helix	trans	-73.3	-36.7	174.6	48.3	0	0	0	0	112	Q642 F643 K648 H649	Q642-T645 HydrophobicContact CB-CG2 4.35Å; Q642-T645 PolarHBondContact O-N 3.29Å; Q642-T645 PolarHBondContact O-OG1 2.92Å; F643-T645 PolarHBondContact O-N 3.31Å; T645-K648 PolarHBondContact O-N 3.27Å; T645-H649 VanDerWaalsContact O-CB 3.26Å; T645-H649 WeakPolarHBondContact O-CB 3.4Å; T645-H649 PolarHBondContact O-N 3.38Å
646	L	84.3	Confident	79	Confident	9 Å²	9	71.5 Å²	71.5	5%	0.047	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-46.2	171.7	173.6	64.2	0	0	0	110.7	C633 F640 Q642 F643 K648 H649 K650	C633-L646 HydrophobicContact CB-CD1 3.6Å; F640-L646 HydrophobicContact CB-CB 4.37Å; F640-L646 HydrophobicContact CD2-CB 3.96Å; F640-L646 HydrophobicContact CD2-CD1 3.77Å; F640-L646 HydrophobicContact CD2-CG 4.47Å; F640-L646 HydrophobicContact CE2-CD1 3.95Å; F640-L646 HydrophobicContact CG-CB 4.32Å; Q642-L646 PolarHBondContact O-N 3.05Å; F643-L646 WeakPolarHBondContact O-CA 3.49Å; F643-L646 WeakPolarHBondContact O-CB 3.37Å; F643-L646 PolarHBondContact O-N 3.16Å; L646-K648 VanDerWaalsContact C-N 3.33Å; L646-K648 PolarHBondContact O-N 3.17Å; L646-H649 CarbonylContact O-C 3.55Å; L646-H649 WeakPolarHBondContact O-CA 3.22Å; L646-H649 WeakPolarHBondContact O-CB 3.27Å; L646-H649 PolarHBondContact O-N 2.98Å; L646-K650 HydrophobicContact CD1-CG 4.31Å; L646-K650 WeakPolarHBondContact O-CG 3.48Å; L646-K650 PolarHBondContact O-N 3.07Å
647	T	79.8	Confident	78.8	Confident	65 Å²	65	74.2 Å²	74.2	40%	0.399	38%	0.38	S	S	.	.	H	α-helix	trans	-58.3	-44.6	177.5	-48.3	0	0	0	0	111.7	F643 H649 K650	F643-T647 WeakPolarHBondContact CE1-OG1 3.32Å; F643-T647 PolarHBondContact O-N 3.32Å; F643-T647 PolarHBondContact O-OG1 3.37Å; F643-T647 VanDerWaalsContact O-OG1 3.06Å; T647-H649 VanDerWaalsContact C-N 3.28Å; T647-H649 PolarHBondContact O-N 2.76Å; T647-K650 PolarHBondContact O-N 3.27Å
648	K	80.9	Confident	78.8	Confident	134 Å²	134	75.1 Å²	75.1	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-64.6	-34.5	175	-73.6	176.5	-178.4	-179.3	0	112.7	S644 T645 L646	S644-K648 WeakPolarHBondContact O-CG 3.47Å; S644-K648 PolarHBondContact O-N 3.02Å; S644-K648 VanDerWaalsContact O-N 3.13Å; T645-K648 PolarHBondContact O-N 3.27Å; L646-K648 VanDerWaalsContact C-N 3.33Å; L646-K648 PolarHBondContact O-N 3.17Å
649	H	83.6	Confident	78.8	Confident	17 Å²	17	73.3 Å²	73.3	8%	0.079	37%	0.366	C	S	.	.	H	α-helix	trans	-70.3	-37.8	177.9	171.4	70.7	0	0	0	112.2	C636 F640 T645 L646 T647 I651 I652 H653	C636-H649 PolarHBondContact SG-NE2 3.01Å; F640-H649 HydrophobicContact CE1-CB 4.05Å; F640-H649 HydrophobicContact CE2-CB 3.9Å; F640-H649 AromaticContact CE2-CD2 3.35Å; F640-H649 WeakPolarHBondContact CE2-CD2 3.29Å; F640-H649 AromaticContact CE2-CG 3.59Å; F640-H649 AromaticContact CE2-NE2 3.96Å; F640-H649 HydrophobicContact CZ-CB 3.49Å; F640-H649 VanDerWaalsContact CZ-CB 3.49Å; F640-H649 AromaticContact CZ-CD2 3.45Å; F640-H649 VanDerWaalsContact CZ-CD2 3.45Å; F640-H649 WeakPolarHBondContact CZ-CD2 3.5Å; F640-H649 AromaticContact CZ-CG 3.2Å; F640-H649 AromaticContact CZ-ND1 3.6Å; F640-H649 AromaticContact CZ-NE2 3.93Å; T645-H649 VanDerWaalsContact O-CB 3.26Å; T645-H649 WeakPolarHBondContact O-CB 3.4Å; T645-H649 PolarHBondContact O-N 3.38Å; L646-H649 CarbonylContact O-C 3.55Å; L646-H649 WeakPolarHBondContact O-CA 3.22Å; L646-H649 WeakPolarHBondContact O-CB 3.27Å; L646-H649 PolarHBondContact O-N 2.98Å; T647-H649 VanDerWaalsContact C-N 3.28Å; T647-H649 PolarHBondContact O-N 2.76Å; H649-I651 PolarHBondContact O-N 3.33Å; H649-I652 WeakPolarHBondContact O-CB 3.21Å; H649-I652 WeakPolarHBondContact O-CG1 2.97Å; H649-I652 PolarHBondContact O-N 3.22Å; H649-H653 AromaticContact CD2-NE2 3.76Å; H649-H653 AromaticContact CE1-CE1 4Å; H649-H653 AromaticContact CE1-NE2 3.49Å; H649-H653 PolarHBondContact CE1-NE2 3.5Å; H649-H653 AromaticContact NE2-CD2 3.89Å; H649-H653 AromaticContact NE2-CE1 3.86Å; H649-H653 AromaticContact NE2-NE2 3Å; H649-H653 PolarHBondContact NE2-NE2 3.13Å
650	K	80.1	Confident	78.8	Confident	95 Å²	95	78.7 Å²	78.7	41%	0.413	38%	0.384	S	S	.	.	H	α-helix	trans	-57.4	-31.5	176.6	-72.5	-171.8	175	-161.6	0	113.3	L646 T647 I652 H653 T654	L646-K650 HydrophobicContact CD1-CG 4.31Å; L646-K650 WeakPolarHBondContact O-CG 3.48Å; L646-K650 PolarHBondContact O-N 3.07Å; T647-K650 PolarHBondContact O-N 3.27Å; K650-I652 PolarHBondContact O-N 3.44Å; K650-I652 VanDerWaalsContact O-N 3.11Å; K650-H653 PolarHBondContact O-N 3.42Å; K650-H653 VanDerWaalsContact O-N 3.07Å; K650-T654 PolarHBondContact O-N 3.09Å
651	I	80.9	Confident	79	Confident	37 Å²	37	76.8 Å²	76.8	19%	0.19	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-19.5	174.4	-55.7	170	0	0	0	112.2	H649 K669	H649-I651 PolarHBondContact O-N 3.33Å; I651-K669 HydrophobicContact CG2-CB 4.28Å
652	I	80	Confident	79.4	Confident	83 Å²	83	82.3 Å²	82.3	43%	0.426	40%	0.4	S	S	.	.	H	α-helix	trans	-70.5	-41	176.3	-58.7	176.9	0	0	0	110.3	H649 K650 K669	H649-I652 WeakPolarHBondContact O-CB 3.21Å; H649-I652 WeakPolarHBondContact O-CG1 2.97Å; H649-I652 PolarHBondContact O-N 3.22Å; K650-I652 PolarHBondContact O-N 3.44Å; K650-I652 VanDerWaalsContact O-N 3.11Å; I652-K669 PolarHBondContact O-NZ 2.91Å
653	H	78.4	Confident	79.5	Confident	65 Å²	65	84.7 Å²	84.7	30%	0.301	41%	0.411	S	S	.	.	H	α-helix	trans	-78.8	-37.1	-176.4	-59.5	-51.6	0	0	0	112.9	C633 E635 C636 H649 K650 E655	C633-H653 VanDerWaalsContact SG-CD2 3.59Å; C633-H653 PolarHBondContact SG-NE2 2.82Å; E635-H653 WeakPolarHBondContact OE2-CB 3.48Å; E635-H653 IonicContact OE2-CD2 2.84Å; E635-H653 PolarHBondContact OE2-CD2 3.29Å; E635-H653 IonicContact OE2-CG 3.04Å; C636-H653 VanDerWaalsContact SG-CE1 3.54Å; C636-H653 PolarHBondContact SG-NE2 2.81Å; H649-H653 AromaticContact CD2-NE2 3.76Å; H649-H653 AromaticContact CE1-CE1 4Å; H649-H653 AromaticContact CE1-NE2 3.49Å; H649-H653 PolarHBondContact CE1-NE2 3.5Å; H649-H653 AromaticContact NE2-CD2 3.89Å; H649-H653 AromaticContact NE2-CE1 3.86Å; H649-H653 AromaticContact NE2-NE2 3Å; H649-H653 PolarHBondContact NE2-NE2 3.13Å; K650-H653 PolarHBondContact O-N 3.42Å; K650-H653 VanDerWaalsContact O-N 3.07Å; H653-E655 PolarHBondContact O-N 3.36Å
654	T	69.5	Low	79.7	Confident	65 Å²	65	81.3 Å²	81.3	40%	0.399	40%	0.402	S	S	.	.	S	Bend	trans	-73.9	-6.1	-179.1	60.9	0	0	0	0	113.4	K650 E656	K650-T654 PolarHBondContact O-N 3.09Å; T654-E656 PolarHBondContact O-N 3.05Å
655	E	63.1	Low	79.8	Confident	149 Å²	149	81 Å²	81	70%	0.696	41%	0.41	S	S	*	.			trans	48.3	1.8	-169.1	-63.1	-153.4	152	0	0	116.3	H653 K657	H653-E655 PolarHBondContact O-N 3.36Å; E655-K657 PolarHBondContact O-N 2.59Å
656	E	72.6	Confident	79.8	Confident	126 Å²	126	85.2 Å²	85.2	59%	0.589	42%	0.424	S	S	*	.			trans	-57.6	130.3	-179.8	-71	-177	167.9	0	0	109.1	T654 P658	T654-E656 PolarHBondContact O-N 3.05Å; E656-P658 WeakPolarHBondContact O-CD 3.39Å
657	K	78.9	Confident	79.8	Confident	110 Å²	110	86.2 Å²	86.2	48%	0.478	43%	0.434	S	S	.	.			trans	-115	79.5	174.5	-74.2	162.8	173.7	176.6	0	107.2	E655 Y659 A667 F668 K669	E655-K657 PolarHBondContact O-N 2.59Å; K657-Y659 PolarHBondContact O-N 3.3Å; K657-Y659 VanDerWaalsContact O-N 3.1Å; K657-A667 HydrophobicContact CB-CB 3.42Å; K657-A667 VanDerWaalsContact CB-CB 3.42Å; K657-A667 HydrophobicContact CD-CB 4.08Å; K657-A667 WeakPolarHBondContact CD-O 3.35Å; K657-A667 HydrophobicContact CG-CB 4.34Å; K657-F668 CarbonylContact C-O 3.59Å; K657-F668 VanDerWaalsContact C-O 3.31Å; K657-F668 WeakPolarHBondContact CA-O 3.18Å; K657-K669 HydrophobicContact CG-CG 3.94Å
658	P	79.9	Confident	80	Confident	74 Å²	74	85.2 Å²	85.2	48%	0.481	42%	0.424	S	S	.	.			trans	-66.6	-18.2	-169.4	-18.9	32.7	0	0	0	112.8	E656	E656-P658 WeakPolarHBondContact O-CD 3.39Å
659	Y	81.9	Confident	80	Confident	94 Å²	94	81.7 Å²	81.7	37%	0.369	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	92	-172.5	-54.4	-79.3	0	0	0	109.7	K657 A667 F668 K669	K657-Y659 PolarHBondContact O-N 3.3Å; K657-Y659 VanDerWaalsContact O-N 3.1Å; Y659-A667 CarbonylContact O-C 3.58Å; Y659-F668 PolarHBondContact N-O 3.25Å; Y659-F668 PolarHBondContact O-N 2.81Å; Y659-K669 WeakPolarHBondContact CD2-O 3.37Å; Y659-K669 WeakPolarHBondContact CE2-O 3.48Å
660	K	82.3	Confident	80	Confident	140 Å²	140	86.9 Å²	86.9	61%	0.609	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.3	177.7	-62.3	-175.8	-179.2	-179.3	0	111.2	A667 L674	K660-A667 HydrophobicContact CG-CB 3.92Å; K660-L674 WeakPolarHBondContact O-CD2 3.27Å
661	C	87.3	Confident	80	Confident	2 Å²	2	85.3 Å²	85.3	1%	0.014	43%	0.428	C	S	.	.			trans	-86.3	118.7	169.2	-170.4	0	0	0	0	108.8	E663 G665 K666 F668 L674	C661-E663 PolarHBondContact O-N 3.04Å; C661-G665 WeakPolarHBondContact O-CA 3.31Å; C661-G665 PolarHBondContact O-N 2.94Å; C661-K666 VanDerWaalsContact CB-O 3.31Å; C661-K666 WeakPolarHBondContact CB-O 3.46Å; C661-K666 PolarHBondContact N-O 3.38Å; C661-F668 HydrophobicContact CB-CE2 4.36Å; C661-L674 HydrophobicContact CB-CD1 3.59Å
662	E	83.9	Confident	80.1	Confident	165 Å²	165	86.6 Å²	86.6	77%	0.771	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.4	178.9	-56.6	-54.4	143.5	0	0	112.5
663	E	81.5	Confident	80.3	Confident	119 Å²	119	84.6 Å²	84.6	56%	0.556	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-26.2	-173.6	-68.2	168.5	-161	0	0	114.1	C661 H681	C661-E663 PolarHBondContact O-N 3.04Å; E663-H681 WeakPolarHBondContact OE2-CB 3.2Å; E663-H681 IonicContact OE2-CD2 3.95Å; E663-H681 PolarHBondContact OE2-CD2 3.42Å; E663-H681 IonicContact OE2-CG 3.14Å; E663-H681 IonicContact OE2-ND1 3Å
664	C	83.2	Confident	80.6	Confident	52 Å²	52	82.4 Å²	82.4	35%	0.351	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	9.2	178.9	71.2	0	0	0	0	114.9	K666 H677 H681	C664-K666 PolarHBondContact O-N 3.32Å; C664-H677 PolarHBondContact SG-NE2 3.4Å; C664-H681 VanDerWaalsContact SG-CE1 3.52Å; C664-H681 PolarHBondContact SG-NE2 3.29Å
665	G	80.9	Confident	81.2	Confident	56 Å²	56	83.7 Å²	83.7	58%	0.577	43%	0.431	S	S	*	.			trans	67.7	-6.6	-179.7	0	0	0	0	0	115.3	C661 A667	C661-G665 WeakPolarHBondContact O-CA 3.31Å; C661-G665 PolarHBondContact O-N 2.94Å; G665-A667 PolarHBondContact O-N 2.88Å
666	K	82.6	Confident	82.1	Confident	132 Å²	132	82.2 Å²	82.2	57%	0.574	42%	0.422	S	S	*	.			trans	-65.2	127.5	-177.9	-72.8	-177.1	-179.9	177.1	0	110.9	C661 C664 F668	C661-K666 VanDerWaalsContact CB-O 3.31Å; C661-K666 WeakPolarHBondContact CB-O 3.46Å; C661-K666 PolarHBondContact N-O 3.38Å; C664-K666 PolarHBondContact O-N 3.32Å; K666-F668 HydrophobicContact CB-CE2 3.92Å; K666-F668 HydrophobicContact CB-CZ 4.04Å; K666-F668 WeakPolarHBondContact O-CD2 3.26Å; K666-F668 VanDerWaalsContact O-CE2 3.3Å; K666-F668 WeakPolarHBondContact O-CE2 3.38Å
667	A	85.6	Confident	82.6	Confident	31 Å²	31	77.1 Å²	77.1	26%	0.256	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.3	-179.3	0	0	0	0	0	111.6	K657 Y659 K660 G665	K657-A667 HydrophobicContact CB-CB 3.42Å; K657-A667 VanDerWaalsContact CB-CB 3.42Å; K657-A667 HydrophobicContact CD-CB 4.08Å; K657-A667 WeakPolarHBondContact CD-O 3.35Å; K657-A667 HydrophobicContact CG-CB 4.34Å; Y659-A667 CarbonylContact O-C 3.58Å; K660-A667 HydrophobicContact CG-CB 3.92Å; G665-A667 PolarHBondContact O-N 2.88Å
668	F	83.9	Confident	82.7	Confident	44 Å²	44	76.2 Å²	76.2	19%	0.193	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.2	-177.9	-60.4	-89.3	0	0	0	111.6	K657 Y659 C661 K666 W670 L674 H677	K657-F668 CarbonylContact C-O 3.59Å; K657-F668 VanDerWaalsContact C-O 3.31Å; K657-F668 WeakPolarHBondContact CA-O 3.18Å; Y659-F668 PolarHBondContact N-O 3.25Å; Y659-F668 PolarHBondContact O-N 2.81Å; C661-F668 HydrophobicContact CB-CE2 4.36Å; K666-F668 HydrophobicContact CB-CE2 3.92Å; K666-F668 HydrophobicContact CB-CZ 4.04Å; K666-F668 WeakPolarHBondContact O-CD2 3.26Å; K666-F668 VanDerWaalsContact O-CE2 3.3Å; K666-F668 WeakPolarHBondContact O-CE2 3.38Å; F668-W670 VanDerWaalsContact C-N 3.31Å; F668-W670 PolarHBondContact O-N 3.47Å; F668-L674 HydrophobicContact CB-CB 4.4Å; F668-L674 HydrophobicContact CD2-CB 4.02Å; F668-L674 HydrophobicContact CD2-CD1 3.78Å; F668-L674 HydrophobicContact CE2-CD1 3.99Å; F668-L674 HydrophobicContact CG-CB 4.39Å; F668-H677 HydrophobicContact CE1-CB 4.01Å; F668-H677 HydrophobicContact CE2-CB 3.89Å; F668-H677 AromaticContact CE2-CD2 3.27Å; F668-H677 WeakPolarHBondContact CE2-CD2 3.45Å; F668-H677 AromaticContact CE2-CG 3.52Å; F668-H677 AromaticContact CE2-NE2 3.79Å; F668-H677 HydrophobicContact CZ-CB 3.52Å; F668-H677 AromaticContact CZ-CD2 3.4Å; F668-H677 VanDerWaalsContact CZ-CD2 3.4Å; F668-H677 WeakPolarHBondContact CZ-CD2 3.45Å; F668-H677 AromaticContact CZ-CE1 3.88Å; F668-H677 AromaticContact CZ-CG 3.17Å; F668-H677 AromaticContact CZ-ND1 3.5Å; F668-H677 AromaticContact CZ-NE2 3.79Å
669	K	81.1	Confident	82.8	Confident	59 Å²	59	73.9 Å²	73.9	26%	0.257	38%	0.377	S	S	.	.	S	Bend	trans	-70.8	-25.7	176.3	-63.4	-166.6	178.3	-166.6	0	112.6	I651 I652 K657 Y659	I651-K669 HydrophobicContact CG2-CB 4.28Å; I652-K669 PolarHBondContact O-NZ 2.91Å; K657-K669 HydrophobicContact CG-CG 3.94Å; Y659-K669 WeakPolarHBondContact CD2-O 3.37Å; Y659-K669 WeakPolarHBondContact CE2-O 3.48Å
670	W	82.9	Confident	82.8	Confident	126 Å²	126	74 Å²	74	48%	0.477	38%	0.384	S	S	.	.	S	Bend	trans	-130.7	147	-178.8	-53.2	-43.4	0	0	0	113.4	F668 S672 T673 L674	F668-W670 VanDerWaalsContact C-N 3.31Å; F668-W670 PolarHBondContact O-N 3.47Å; W670-S672 VanDerWaalsContact C-N 3.33Å; W670-S672 PolarHBondContact O-N 3.43Å; W670-T673 HydrophobicContact CE3-CG2 3.92Å; W670-T673 PolarHBondContact N-OG1 3.27Å; W670-T673 PolarHBondContact O-N 3.05Å; W670-T673 PolarHBondContact O-OG1 3.24Å; W670-L674 PolarHBondContact O-N 3.13Å
671	S	80.4	Confident	82.6	Confident	62 Å²	62	70.9 Å²	70.9	43%	0.434	37%	0.371	S	S	.	.	H	α-helix	trans	-63	-38.1	176.1	59	0	0	0	0	112.6	T673 L674 T675	S671-T673 VanDerWaalsContact C-N 3.28Å; S671-T673 PolarHBondContact O-N 3.11Å; S671-L674 WeakPolarHBondContact O-CB 3.48Å; S671-L674 PolarHBondContact O-N 3.06Å; S671-L674 VanDerWaalsContact O-N 3.14Å; S671-T675 PolarHBondContact O-N 3.45Å; S671-T675 PolarHBondContact O-OG1 3.3Å
672	S	81.8	Confident	82.1	Confident	64 Å²	64	74.2 Å²	74.2	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-33.5	178.2	59.3	0	0	0	0	112.9	W670 K676	W670-S672 VanDerWaalsContact C-N 3.33Å; W670-S672 PolarHBondContact O-N 3.43Å; S672-K676 WeakPolarHBondContact O-CG 3.5Å; S672-K676 PolarHBondContact O-N 3.09Å; S672-K676 VanDerWaalsContact O-N 3.1Å
673	T	83.8	Confident	81.7	Confident	42 Å²	42	68.3 Å²	68.3	26%	0.258	37%	0.374	S	S	.	.	H	α-helix	trans	-72.2	-38.1	173.5	42.3	0	0	0	0	111.8	W670 S671 K676 H677	W670-T673 HydrophobicContact CE3-CG2 3.92Å; W670-T673 PolarHBondContact N-OG1 3.27Å; W670-T673 PolarHBondContact O-N 3.05Å; W670-T673 PolarHBondContact O-OG1 3.24Å; S671-T673 VanDerWaalsContact C-N 3.28Å; S671-T673 PolarHBondContact O-N 3.11Å; T673-K676 PolarHBondContact O-N 3.14Å; T673-H677 VanDerWaalsContact O-CB 3.28Å; T673-H677 WeakPolarHBondContact O-CB 3.3Å; T673-H677 PolarHBondContact O-N 3.25Å
674	L	85.1	Confident	81.6	Confident	19 Å²	19	68.4 Å²	68.4	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-62.2	-45.4	171.8	174.5	62.9	0	0	0	111.1	K660 C661 F668 W670 S671 K676 H677 K678	K660-L674 WeakPolarHBondContact O-CD2 3.27Å; C661-L674 HydrophobicContact CB-CD1 3.59Å; F668-L674 HydrophobicContact CB-CB 4.4Å; F668-L674 HydrophobicContact CD2-CB 4.02Å; F668-L674 HydrophobicContact CD2-CD1 3.78Å; F668-L674 HydrophobicContact CE2-CD1 3.99Å; F668-L674 HydrophobicContact CG-CB 4.39Å; W670-L674 PolarHBondContact O-N 3.13Å; S671-L674 WeakPolarHBondContact O-CB 3.48Å; S671-L674 PolarHBondContact O-N 3.06Å; S671-L674 VanDerWaalsContact O-N 3.14Å; L674-K676 VanDerWaalsContact C-N 3.34Å; L674-K676 PolarHBondContact O-N 3.24Å; L674-H677 CarbonylContact O-C 3.57Å; L674-H677 WeakPolarHBondContact O-CA 3.28Å; L674-H677 WeakPolarHBondContact O-CB 3.21Å; L674-H677 PolarHBondContact O-N 2.88Å; L674-H677 VanDerWaalsContact O-N 3.07Å; L674-K678 HydrophobicContact CD1-CG 4.31Å; L674-K678 WeakPolarHBondContact O-CG 3.15Å; L674-K678 PolarHBondContact O-N 3.38Å
675	T	81.9	Confident	81.5	Confident	92 Å²	92	71.2 Å²	71.2	56%	0.564	38%	0.381	S	S	*	.	H	α-helix	trans	-58.8	-44.3	176.8	-51.8	0	0	0	0	111.7	S671 H677 K678	S671-T675 PolarHBondContact O-N 3.45Å; S671-T675 PolarHBondContact O-OG1 3.3Å; T675-H677 VanDerWaalsContact C-N 3.3Å; T675-H677 PolarHBondContact O-N 3.29Å; T675-K678 PolarHBondContact O-N 3.13Å
676	K	82.4	Confident	81.6	Confident	118 Å²	118	72 Å²	72	51%	0.513	38%	0.376	S	S	.	.	H	α-helix	trans	-64.4	-35.7	174.7	-71.9	175.2	-177.1	-178.3	0	112.4	S672 T673 L674 I679 L698	S672-K676 WeakPolarHBondContact O-CG 3.5Å; S672-K676 PolarHBondContact O-N 3.09Å; S672-K676 VanDerWaalsContact O-N 3.1Å; T673-K676 PolarHBondContact O-N 3.14Å; L674-K676 VanDerWaalsContact C-N 3.34Å; L674-K676 PolarHBondContact O-N 3.24Å; K676-I679 WeakPolarHBondContact O-CB 3.11Å; K676-L698 HydrophobicContact CB-CD2 4.16Å; K676-L698 HydrophobicContact CD-CD2 3.88Å; K676-L698 HydrophobicContact CG-CD2 3.75Å
677	H	83.8	Confident	81.6	Confident	19 Å²	19	70.1 Å²	70.1	9%	0.088	37%	0.366	C	S	.	.	H	α-helix	trans	-69.1	-38.9	177.7	169.7	71.1	0	0	0	112.4	C664 F668 T673 L674 T675 I679 I680 H681	C664-H677 PolarHBondContact SG-NE2 3.4Å; F668-H677 HydrophobicContact CE1-CB 4.01Å; F668-H677 HydrophobicContact CE2-CB 3.89Å; F668-H677 AromaticContact CE2-CD2 3.27Å; F668-H677 WeakPolarHBondContact CE2-CD2 3.45Å; F668-H677 AromaticContact CE2-CG 3.52Å; F668-H677 AromaticContact CE2-NE2 3.79Å; F668-H677 HydrophobicContact CZ-CB 3.52Å; F668-H677 AromaticContact CZ-CD2 3.4Å; F668-H677 VanDerWaalsContact CZ-CD2 3.4Å; F668-H677 WeakPolarHBondContact CZ-CD2 3.45Å; F668-H677 AromaticContact CZ-CE1 3.88Å; F668-H677 AromaticContact CZ-CG 3.17Å; F668-H677 AromaticContact CZ-ND1 3.5Å; F668-H677 AromaticContact CZ-NE2 3.79Å; T673-H677 VanDerWaalsContact O-CB 3.28Å; T673-H677 WeakPolarHBondContact O-CB 3.3Å; T673-H677 PolarHBondContact O-N 3.25Å; L674-H677 CarbonylContact O-C 3.57Å; L674-H677 WeakPolarHBondContact O-CA 3.28Å; L674-H677 WeakPolarHBondContact O-CB 3.21Å; L674-H677 PolarHBondContact O-N 2.88Å; L674-H677 VanDerWaalsContact O-N 3.07Å; T675-H677 VanDerWaalsContact C-N 3.3Å; T675-H677 PolarHBondContact O-N 3.29Å; H677-I679 PolarHBondContact O-N 3.02Å; H677-I679 VanDerWaalsContact O-N 3.15Å; H677-I680 WeakPolarHBondContact O-CB 3.39Å; H677-I680 WeakPolarHBondContact O-CG1 3.26Å; H677-I680 PolarHBondContact O-N 2.88Å; H677-H681 AromaticContact CD2-NE2 3.93Å; H677-H681 AromaticContact CE1-NE2 3.6Å; H677-H681 AromaticContact NE2-CD2 3.98Å; H677-H681 AromaticContact NE2-NE2 3.15Å; H677-H681 PolarHBondContact NE2-NE2 3.23Å; H677-H681 VanDerWaalsContact NE2-NE2 3.15Å
678	K	80.4	Confident	81.4	Confident	90 Å²	90	75.2 Å²	75.2	39%	0.391	38%	0.383	S	S	.	.	H	α-helix	trans	-56.5	-30.4	176.2	-73	-171.6	175.4	-160	0	113.1	L674 T675 I680 H681 T682	L674-K678 HydrophobicContact CD1-CG 4.31Å; L674-K678 WeakPolarHBondContact O-CG 3.15Å; L674-K678 PolarHBondContact O-N 3.38Å; T675-K678 PolarHBondContact O-N 3.13Å; K678-I680 PolarHBondContact O-N 3.23Å; K678-I680 VanDerWaalsContact O-N 3.16Å; K678-H681 PolarHBondContact O-N 3.42Å; K678-H681 VanDerWaalsContact O-N 3.08Å; K678-T682 PolarHBondContact O-N 2.9Å
679	I	82.6	Confident	81.6	Confident	25 Å²	25	73.2 Å²	73.2	13%	0.128	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-22.9	174.3	-55.3	172.7	0	0	0	112.1	K676 H677 G683 E684 K697	K676-I679 WeakPolarHBondContact O-CB 3.11Å; H677-I679 PolarHBondContact O-N 3.02Å; H677-I679 VanDerWaalsContact O-N 3.15Å; I679-G683 PolarHBondContact O-N 3.36Å; I679-G683 VanDerWaalsContact O-N 3.12Å; I679-E684 WeakPolarHBondContact CG2-O 3.11Å; I679-K697 HydrophobicContact CG2-CB 4.04Å; I679-K697 HydrophobicContact CG2-CG 4.27Å
680	I	80.6	Confident	81.8	Confident	98 Å²	98	78.4 Å²	78.4	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-68.9	-39.7	176	-58.8	176.2	0	0	0	110.6	H677 K678	H677-I680 WeakPolarHBondContact O-CB 3.39Å; H677-I680 WeakPolarHBondContact O-CG1 3.26Å; H677-I680 PolarHBondContact O-N 2.88Å; K678-I680 PolarHBondContact O-N 3.23Å; K678-I680 VanDerWaalsContact O-N 3.16Å
681	H	78.6	Confident	81.8	Confident	74 Å²	74	78.2 Å²	78.2	34%	0.343	40%	0.404	S	S	.	.	H	α-helix	trans	-76.2	-43.3	-179.4	-61.7	-59.5	0	0	0	112.4	E663 C664 H677 K678 G683	E663-H681 WeakPolarHBondContact OE2-CB 3.2Å; E663-H681 IonicContact OE2-CD2 3.95Å; E663-H681 PolarHBondContact OE2-CD2 3.42Å; E663-H681 IonicContact OE2-CG 3.14Å; E663-H681 IonicContact OE2-ND1 3Å; C664-H681 VanDerWaalsContact SG-CE1 3.52Å; C664-H681 PolarHBondContact SG-NE2 3.29Å; H677-H681 AromaticContact CD2-NE2 3.93Å; H677-H681 AromaticContact CE1-NE2 3.6Å; H677-H681 AromaticContact NE2-CD2 3.98Å; H677-H681 AromaticContact NE2-NE2 3.15Å; H677-H681 PolarHBondContact NE2-NE2 3.23Å; H677-H681 VanDerWaalsContact NE2-NE2 3.15Å; K678-H681 PolarHBondContact O-N 3.42Å; K678-H681 VanDerWaalsContact O-N 3.08Å; H681-G683 PolarHBondContact O-N 2.98Å
682	T	78.1	Confident	81.9	Confident	72 Å²	72	77.8 Å²	77.8	44%	0.442	40%	0.4	S	S	.	.	H	α-helix	trans	-71.2	-18	177.7	64.6	0	0	0	0	112.5	K678 E684	K678-T682 PolarHBondContact O-N 2.9Å; T682-E684 PolarHBondContact O-N 3.29Å; T682-E684 PolarHBondContact OG1-N 2.88Å
683	G	75.1	Confident	81.9	Confident	40 Å²	40	77.3 Å²	77.3	41%	0.412	41%	0.405	S	S	.	.			trans	66.7	-0.6	-175.8	0	0	0	0	0	113.9	I679 H681	I679-G683 PolarHBondContact O-N 3.36Å; I679-G683 VanDerWaalsContact O-N 3.12Å; H681-G683 PolarHBondContact O-N 2.98Å
684	E	78	Confident	81.9	Confident	121 Å²	121	81.4 Å²	81.4	57%	0.565	42%	0.419	S	S	*	.			trans	-58.8	141.6	-176.4	-72.2	-179.9	172.9	0	0	110.7	I679 T682 P686	I679-E684 WeakPolarHBondContact CG2-O 3.11Å; T682-E684 PolarHBondContact O-N 3.29Å; T682-E684 PolarHBondContact OG1-N 2.88Å; E684-P686 HydrophobicContact CB-CG 4.43Å; E684-P686 WeakPolarHBondContact O-CD 3.46Å
685	K	81.9	Confident	81.9	Confident	111 Å²	111	82 Å²	82	48%	0.483	43%	0.427	S	S	.	.			trans	-122.4	78.3	174.1	-62.7	-172.2	-170.1	173.1	0	108.5	Y687 A695 F696 K697	K685-Y687 PolarHBondContact O-N 2.77Å; K685-Y687 VanDerWaalsContact O-N 3.14Å; K685-A695 HydrophobicContact CB-CB 3.47Å; K685-A695 VanDerWaalsContact CB-CB 3.47Å; K685-A695 HydrophobicContact CD-CB 4.08Å; K685-A695 VanDerWaalsContact CD-O 3.26Å; K685-A695 WeakPolarHBondContact CD-O 3.17Å; K685-A695 HydrophobicContact CG-CB 4.43Å; K685-F696 CarbonylContact C-O 3.54Å; K685-F696 VanDerWaalsContact C-O 3.29Å; K685-F696 WeakPolarHBondContact CA-O 3.26Å; K685-K697 HydrophobicContact CG-CG 4.05Å
686	P	82.1	Confident	82.1	Confident	73 Å²	73	79.6 Å²	79.6	47%	0.474	41%	0.409	S	S	.	.			trans	-66.5	-19.1	-169	-20.8	33.4	0	0	0	113.8	E684	E684-P686 HydrophobicContact CB-CG 4.43Å; E684-P686 WeakPolarHBondContact O-CD 3.46Å
687	Y	83.4	Confident	82	Confident	93 Å²	93	78 Å²	78	37%	0.365	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	96.2	-171.8	-56.6	-78.6	0	0	0	110	K685 A695 F696	K685-Y687 PolarHBondContact O-N 2.77Å; K685-Y687 VanDerWaalsContact O-N 3.14Å; Y687-A695 CarbonylContact O-C 3.6Å; Y687-A695 WeakPolarHBondContact O-CA 3.28Å; Y687-F696 PolarHBondContact N-O 3.37Å; Y687-F696 PolarHBondContact O-N 3.2Å
688	K	82	Confident	81.9	Confident	138 Å²	138	79.7 Å²	79.7	60%	0.6	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	140.3	177.7	-63.5	-175.6	-179.5	-178.9	0	111.3	A695 L702	K688-A695 HydrophobicContact CG-CB 3.96Å; K688-L702 WeakPolarHBondContact O-CD2 3.39Å
689	C	88.1	Confident	81.9	Confident	2 Å²	2	78.4 Å²	78.4	1%	0.014	41%	0.413	C	S	.	.			trans	-84.6	120.2	167.6	-169.3	0	0	0	0	108.6	E691 G693 K694 F696 L702 H709	C689-E691 VanDerWaalsContact C-N 3.26Å; C689-E691 PolarHBondContact O-N 3.1Å; C689-G693 WeakPolarHBondContact O-CA 3.48Å; C689-G693 PolarHBondContact O-N 3.48Å; C689-K694 WeakPolarHBondContact CB-O 3.3Å; C689-K694 PolarHBondContact N-O 3.11Å; C689-F696 HydrophobicContact CB-CE2 4.29Å; C689-L702 HydrophobicContact CB-CD1 3.6Å; C689-H709 PolarHBondContact SG-NE2 3.27Å; C689-H709 VanDerWaalsContact SG-NE2 3.45Å
690	E	84.4	Confident	81.9	Confident	167 Å²	167	80.4 Å²	80.4	78%	0.78	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.9	178.6	-58.7	-57	146.5	0	0	112.1
691	E	82.3	Confident	82	Confident	123 Å²	123	78 Å²	78	58%	0.575	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-28.6	-174.9	-70.2	165.9	-169.5	0	0	113.7	C689 H709	C689-E691 VanDerWaalsContact C-N 3.26Å; C689-E691 PolarHBondContact O-N 3.1Å; E691-H709 WeakPolarHBondContact OE2-CB 3.39Å; E691-H709 IonicContact OE2-CD2 3.76Å; E691-H709 PolarHBondContact OE2-CD2 3.02Å; E691-H709 IonicContact OE2-CG 3.01Å
692	C	83.6	Confident	82.3	Confident	52 Å²	52	75.4 Å²	75.4	35%	0.351	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135	8.3	-179.9	71.8	0	0	0	0	114.8	K694 H705 H709	C692-K694 PolarHBondContact O-N 3.24Å; C692-H705 PolarHBondContact SG-NE2 3.19Å; C692-H709 VanDerWaalsContact SG-CE1 3.55Å; C692-H709 PolarHBondContact SG-NE2 2.8Å
693	G	81.3	Confident	82.4	Confident	54 Å²	54	75.3 Å²	75.3	56%	0.557	41%	0.41	S	S	*	.			trans	68.1	-6.2	-179.9	0	0	0	0	0	115.4	C689 A695	C689-G693 WeakPolarHBondContact O-CA 3.48Å; C689-G693 PolarHBondContact O-N 3.48Å; G693-A695 PolarHBondContact O-N 3.4Å
694	K	83.4	Confident	82.7	Confident	129 Å²	129	75.1 Å²	75.1	56%	0.561	40%	0.401	S	S	*	.			trans	-64.9	127.6	-178.2	-72.1	-179.1	-179	174.9	0	110.8	C689 C692 F696	C689-K694 WeakPolarHBondContact CB-O 3.3Å; C689-K694 PolarHBondContact N-O 3.11Å; C692-K694 PolarHBondContact O-N 3.24Å; K694-F696 HydrophobicContact CB-CE2 3.86Å; K694-F696 HydrophobicContact CB-CZ 3.99Å; K694-F696 WeakPolarHBondContact O-CD2 3.48Å; K694-F696 VanDerWaalsContact O-CE2 3.27Å; K694-F696 WeakPolarHBondContact O-CE2 3.42Å
695	A	86.4	Confident	83	Confident	31 Å²	31	70.1 Å²	70.1	26%	0.256	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	144.1	178.5	0	0	0	0	0	111.4	K685 Y687 K688 G693	K685-A695 HydrophobicContact CB-CB 3.47Å; K685-A695 VanDerWaalsContact CB-CB 3.47Å; K685-A695 HydrophobicContact CD-CB 4.08Å; K685-A695 VanDerWaalsContact CD-O 3.26Å; K685-A695 WeakPolarHBondContact CD-O 3.17Å; K685-A695 HydrophobicContact CG-CB 4.43Å; Y687-A695 CarbonylContact O-C 3.6Å; Y687-A695 WeakPolarHBondContact O-CA 3.28Å; K688-A695 HydrophobicContact CG-CB 3.96Å; G693-A695 PolarHBondContact O-N 3.4Å
696	F	84.8	Confident	82.9	Confident	41 Å²	41	69.1 Å²	69.1	18%	0.18	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.1	-177.4	-61.1	-89.5	0	0	0	111.6	K685 Y687 C689 K694 L702 H705	K685-F696 CarbonylContact C-O 3.54Å; K685-F696 VanDerWaalsContact C-O 3.29Å; K685-F696 WeakPolarHBondContact CA-O 3.26Å; Y687-F696 PolarHBondContact N-O 3.37Å; Y687-F696 PolarHBondContact O-N 3.2Å; C689-F696 HydrophobicContact CB-CE2 4.29Å; K694-F696 HydrophobicContact CB-CE2 3.86Å; K694-F696 HydrophobicContact CB-CZ 3.99Å; K694-F696 WeakPolarHBondContact O-CD2 3.48Å; K694-F696 VanDerWaalsContact O-CE2 3.27Å; K694-F696 WeakPolarHBondContact O-CE2 3.42Å; F696-L702 HydrophobicContact CB-CB 4.33Å; F696-L702 HydrophobicContact CD2-CB 3.99Å; F696-L702 HydrophobicContact CD2-CD1 3.75Å; F696-L702 HydrophobicContact CD2-CG 4.47Å; F696-L702 HydrophobicContact CE2-CD1 3.94Å; F696-L702 HydrophobicContact CG-CB 4.3Å; F696-H705 HydrophobicContact CE1-CB 3.99Å; F696-H705 HydrophobicContact CE2-CB 4Å; F696-H705 AromaticContact CE2-CD2 3.24Å; F696-H705 WeakPolarHBondContact CE2-CD2 3.48Å; F696-H705 AromaticContact CE2-CG 3.62Å; F696-H705 AromaticContact CE2-NE2 3.78Å; F696-H705 HydrophobicContact CZ-CB 3.55Å; F696-H705 AromaticContact CZ-CD2 3.28Å; F696-H705 WeakPolarHBondContact CZ-CD2 3.45Å; F696-H705 AromaticContact CZ-CE1 3.93Å; F696-H705 AromaticContact CZ-CG 3.18Å; F696-H705 AromaticContact CZ-ND1 3.62Å; F696-H705 AromaticContact CZ-NE2 3.7Å
697	K	80.9	Confident	82.9	Confident	85 Å²	85	67.4 Å²	67.4	37%	0.37	36%	0.36	S	S	.	.	S	Bend	trans	-74.2	-25.2	177.4	-61.6	-172.7	179.7	-170.4	0	112.8	I679 K685	I679-K697 HydrophobicContact CG2-CB 4.04Å; I679-K697 HydrophobicContact CG2-CG 4.27Å; K685-K697 HydrophobicContact CG-CG 4.05Å
698	L	81.6	Confident	82.8	Confident	54 Å²	54	67.8 Å²	67.8	28%	0.283	37%	0.367	S	S	.	.	S	Bend	trans	-130.8	146.4	-176.9	-63	171.2	0	0	0	112	K676 S700 T701 L702	K676-L698 HydrophobicContact CB-CD2 4.16Å; K676-L698 HydrophobicContact CD-CD2 3.88Å; K676-L698 HydrophobicContact CG-CD2 3.75Å; L698-S700 VanDerWaalsContact C-N 3.35Å; L698-S700 PolarHBondContact O-N 3.26Å; L698-T701 HydrophobicContact CB-CG2 4.36Å; L698-T701 PolarHBondContact N-OG1 2.99Å; L698-T701 PolarHBondContact O-N 3.41Å; L698-T701 PolarHBondContact O-OG1 3.12Å; L698-L702 PolarHBondContact O-N 2.81Å
699	S	81.4	Confident	82.6	Confident	63 Å²	63	64.9 Å²	64.9	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-38.2	176.9	67.3	0	0	0	0	112.3	T701 L702 S703	S699-T701 VanDerWaalsContact C-N 3.29Å; S699-T701 PolarHBondContact O-N 3.47Å; S699-L702 WeakPolarHBondContact O-CB 3.25Å; S699-L702 PolarHBondContact O-N 2.85Å; S699-L702 VanDerWaalsContact O-N 3.15Å; S699-S703 PolarHBondContact O-N 3.2Å; S699-S703 PolarHBondContact O-OG 3.08Å
700	S	81.4	Confident	82.2	Confident	67 Å²	67	68.5 Å²	68.5	47%	0.469	38%	0.378	S	S	.	.	H	α-helix	trans	-61.6	-37.5	177.7	56.2	0	0	0	0	112.1	L698 S703 T704	L698-S700 VanDerWaalsContact C-N 3.35Å; L698-S700 PolarHBondContact O-N 3.26Å; S700-S703 PolarHBondContact O-N 3.18Å; S700-T704 WeakPolarHBondContact O-CG2 3.49Å; S700-T704 PolarHBondContact O-N 2.77Å; S700-T704 PolarHBondContact O-OG1 2.98Å
701	T	82.2	Confident	81.7	Confident	49 Å²	49	63 Å²	63	30%	0.301	37%	0.367	S	S	.	.	H	α-helix	trans	-68.3	-39.2	175.5	48.2	0	0	0	0	111.6	L698 S699 T704 H705	L698-T701 HydrophobicContact CB-CG2 4.36Å; L698-T701 PolarHBondContact N-OG1 2.99Å; L698-T701 PolarHBondContact O-N 3.41Å; L698-T701 PolarHBondContact O-OG1 3.12Å; S699-T701 VanDerWaalsContact C-N 3.29Å; S699-T701 PolarHBondContact O-N 3.47Å; T701-T704 PolarHBondContact O-N 2.83Å; T701-T704 PolarHBondContact O-OG1 3.23Å; T701-H705 VanDerWaalsContact O-CB 3.29Å; T701-H705 WeakPolarHBondContact O-CB 2.9Å; T701-H705 PolarHBondContact O-N 2.96Å
702	L	84.8	Confident	81.4	Confident	19 Å²	19	63 Å²	63	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-45.6	171.8	173.5	63.6	0	0	0	110.9	K688 C689 F696 L698 S699 T704 H705 K706	K688-L702 WeakPolarHBondContact O-CD2 3.39Å; C689-L702 HydrophobicContact CB-CD1 3.6Å; F696-L702 HydrophobicContact CB-CB 4.33Å; F696-L702 HydrophobicContact CD2-CB 3.99Å; F696-L702 HydrophobicContact CD2-CD1 3.75Å; F696-L702 HydrophobicContact CD2-CG 4.47Å; F696-L702 HydrophobicContact CE2-CD1 3.94Å; F696-L702 HydrophobicContact CG-CB 4.3Å; L698-L702 PolarHBondContact O-N 2.81Å; S699-L702 WeakPolarHBondContact O-CB 3.25Å; S699-L702 PolarHBondContact O-N 2.85Å; S699-L702 VanDerWaalsContact O-N 3.15Å; L702-T704 PolarHBondContact O-N 3.16Å; L702-H705 CarbonylContact O-C 3.59Å; L702-H705 WeakPolarHBondContact O-CA 3.43Å; L702-H705 WeakPolarHBondContact O-CB 3.38Å; L702-H705 PolarHBondContact O-N 3.24Å; L702-K706 HydrophobicContact CD1-CG 4.25Å; L702-K706 WeakPolarHBondContact O-CG 3.41Å; L702-K706 PolarHBondContact O-N 3.02Å
703	S	82.1	Confident	81.3	Confident	69 Å²	69	66.4 Å²	66.4	48%	0.483	38%	0.375	S	S	.	.	H	α-helix	trans	-58.2	-46.2	176.7	-61.8	0	0	0	0	112	S699 S700 H705 K706 I707	S699-S703 PolarHBondContact O-N 3.2Å; S699-S703 PolarHBondContact O-OG 3.08Å; S700-S703 PolarHBondContact O-N 3.18Å; S703-H705 PolarHBondContact O-N 3.33Å; S703-K706 PolarHBondContact O-N 3.12Å; S703-I707 PolarHBondContact O-N 3.47Å
704	T	81.1	Confident	81.4	Confident	36 Å²	36	67.3 Å²	67.3	22%	0.221	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-26.6	175.7	62.9	0	0	0	0	113.3	S700 T701 L702 R726	S700-T704 WeakPolarHBondContact O-CG2 3.49Å; S700-T704 PolarHBondContact O-N 2.77Å; S700-T704 PolarHBondContact O-OG1 2.98Å; T701-T704 PolarHBondContact O-N 2.83Å; T701-T704 PolarHBondContact O-OG1 3.23Å; L702-T704 PolarHBondContact O-N 3.16Å; T704-R726 PolarHBondContact OG1-NH2 2.73Å; T704-R726 VanDerWaalsContact OG1-NH2 3.15Å
705	H	83.4	Confident	81.4	Confident	16 Å²	16	65.6 Å²	65.6	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-75.6	-39.1	177	168.7	68	0	0	0	111.6	C692 F696 T701 L702 S703 I707 I708 H709	C692-H705 PolarHBondContact SG-NE2 3.19Å; F696-H705 HydrophobicContact CE1-CB 3.99Å; F696-H705 HydrophobicContact CE2-CB 4Å; F696-H705 AromaticContact CE2-CD2 3.24Å; F696-H705 WeakPolarHBondContact CE2-CD2 3.48Å; F696-H705 AromaticContact CE2-CG 3.62Å; F696-H705 AromaticContact CE2-NE2 3.78Å; F696-H705 HydrophobicContact CZ-CB 3.55Å; F696-H705 AromaticContact CZ-CD2 3.28Å; F696-H705 WeakPolarHBondContact CZ-CD2 3.45Å; F696-H705 AromaticContact CZ-CE1 3.93Å; F696-H705 AromaticContact CZ-CG 3.18Å; F696-H705 AromaticContact CZ-ND1 3.62Å; F696-H705 AromaticContact CZ-NE2 3.7Å; T701-H705 VanDerWaalsContact O-CB 3.29Å; T701-H705 WeakPolarHBondContact O-CB 2.9Å; T701-H705 PolarHBondContact O-N 2.96Å; L702-H705 CarbonylContact O-C 3.59Å; L702-H705 WeakPolarHBondContact O-CA 3.43Å; L702-H705 WeakPolarHBondContact O-CB 3.38Å; L702-H705 PolarHBondContact O-N 3.24Å; S703-H705 PolarHBondContact O-N 3.33Å; H705-I707 PolarHBondContact O-N 3.15Å; H705-I708 WeakPolarHBondContact O-CB 3.5Å; H705-I708 WeakPolarHBondContact O-CG1 2.95Å; H705-I708 PolarHBondContact O-N 3.28Å; H705-H709 AromaticContact CD2-NE2 3.89Å; H705-H709 AromaticContact CE1-NE2 3.53Å; H705-H709 AromaticContact NE2-CD2 3.98Å; H705-H709 AromaticContact NE2-NE2 3.13Å; H705-H709 PolarHBondContact NE2-NE2 3.45Å; H705-H709 VanDerWaalsContact NE2-NE2 3.13Å
706	K	80.4	Confident	81.2	Confident	90 Å²	90	71.3 Å²	71.3	39%	0.391	38%	0.381	S	S	.	.	H	α-helix	trans	-56.9	-33.3	174.5	-72.8	-171.6	174.8	-159	0	112.6	L702 S703 I708 H709 T710	L702-K706 HydrophobicContact CD1-CG 4.25Å; L702-K706 WeakPolarHBondContact O-CG 3.41Å; L702-K706 PolarHBondContact O-N 3.02Å; S703-K706 PolarHBondContact O-N 3.12Å; K706-I708 PolarHBondContact O-N 3.5Å; K706-I708 VanDerWaalsContact O-N 3.16Å; K706-H709 PolarHBondContact O-N 3.35Å; K706-T710 PolarHBondContact O-N 3.45Å; K706-T710 PolarHBondContact O-OG1 2.81Å
707	I	82.1	Confident	81.4	Confident	37 Å²	37	69.5 Å²	69.5	19%	0.19	37%	0.373	C	S	.	.	H	α-helix	trans	-57.4	-31	174.5	-62.3	174	0	0	0	111.7	S703 H705 T710 G711 E712 N725	S703-I707 PolarHBondContact O-N 3.47Å; H705-I707 PolarHBondContact O-N 3.15Å; I707-T710 VanDerWaalsContact CA-OG1 3.29Å; I707-T710 WeakPolarHBondContact CA-OG1 2.98Å; I707-T710 PolarHBondContact O-N 2.92Å; I707-T710 PolarHBondContact O-OG1 3.42Å; I707-G711 PolarHBondContact O-N 3.49Å; I707-E712 HydrophobicContact CG2-CB 4.28Å; I707-E712 WeakPolarHBondContact CG2-O 3.35Å; I707-E712 PolarHBondContact O-N 3.14Å; I707-N725 HydrophobicContact CG2-CB 3.85Å
708	I	80.8	Confident	81.6	Confident	102 Å²	102	74.2 Å²	74.2	52%	0.523	40%	0.397	S	S	.	.	H	α-helix	trans	-66.2	-39.9	177.6	-56	173.8	0	0	0	111.1	H705 K706 G711	H705-I708 WeakPolarHBondContact O-CB 3.5Å; H705-I708 WeakPolarHBondContact O-CG1 2.95Å; H705-I708 PolarHBondContact O-N 3.28Å; K706-I708 PolarHBondContact O-N 3.5Å; K706-I708 VanDerWaalsContact O-N 3.16Å; I708-G711 PolarHBondContact O-N 3.08Å
709	H	78.8	Confident	81.4	Confident	76 Å²	76	79 Å²	79	35%	0.352	42%	0.415	S	S	.	.	H	α-helix	trans	-69.9	-38.8	178	-64	-56.7	0	0	0	112.2	C689 E691 C692 H705 K706 G711	C689-H709 PolarHBondContact SG-NE2 3.27Å; C689-H709 VanDerWaalsContact SG-NE2 3.45Å; E691-H709 WeakPolarHBondContact OE2-CB 3.39Å; E691-H709 IonicContact OE2-CD2 3.76Å; E691-H709 PolarHBondContact OE2-CD2 3.02Å; E691-H709 IonicContact OE2-CG 3.01Å; C692-H709 VanDerWaalsContact SG-CE1 3.55Å; C692-H709 PolarHBondContact SG-NE2 2.8Å; H705-H709 AromaticContact CD2-NE2 3.89Å; H705-H709 AromaticContact CE1-NE2 3.53Å; H705-H709 AromaticContact NE2-CD2 3.98Å; H705-H709 AromaticContact NE2-NE2 3.13Å; H705-H709 PolarHBondContact NE2-NE2 3.45Å; H705-H709 VanDerWaalsContact NE2-NE2 3.13Å; K706-H709 PolarHBondContact O-N 3.35Å; H709-G711 PolarHBondContact O-N 2.99Å
710	T	78	Confident	81.5	Confident	78 Å²	78	78.6 Å²	78.6	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-73.4	-15	176.7	59.1	0	0	0	0	113.4	K706 I707 E712	K706-T710 PolarHBondContact O-N 3.45Å; K706-T710 PolarHBondContact O-OG1 2.81Å; I707-T710 VanDerWaalsContact CA-OG1 3.29Å; I707-T710 WeakPolarHBondContact CA-OG1 2.98Å; I707-T710 PolarHBondContact O-N 2.92Å; I707-T710 PolarHBondContact O-OG1 3.42Å; T710-E712 PolarHBondContact O-N 2.88Å
711	G	75.3	Confident	81.5	Confident	53 Å²	53	78.1 Å²	78.1	55%	0.546	42%	0.417	S	S	.	.			trans	65.7	-0.9	-172.7	0	0	0	0	0	114.9	I707 I708 H709 K713	I707-G711 PolarHBondContact O-N 3.49Å; I708-G711 PolarHBondContact O-N 3.08Å; H709-G711 PolarHBondContact O-N 2.99Å; G711-K713 PolarHBondContact O-N 3.12Å
712	E	76.3	Confident	81.5	Confident	122 Å²	122	82.1 Å²	82.1	57%	0.57	43%	0.431	S	S	*	.			trans	-59.9	134	-178.4	-70.8	-175.5	-179.3	0	0	111.2	I707 T710 P714	I707-E712 HydrophobicContact CG2-CB 4.28Å; I707-E712 WeakPolarHBondContact CG2-O 3.35Å; I707-E712 PolarHBondContact O-N 3.14Å; T710-E712 PolarHBondContact O-N 2.88Å; E712-P714 WeakPolarHBondContact O-CD 3.47Å
713	K	81.4	Confident	81.5	Confident	124 Å²	124	82.5 Å²	82.5	54%	0.539	44%	0.437	S	S	.	.			trans	-123.1	78.5	174.5	-71.2	170.1	173.6	-179	0	108.8	G711 Y715 A723 F724	G711-K713 PolarHBondContact O-N 3.12Å; K713-Y715 PolarHBondContact O-N 3.36Å; K713-Y715 VanDerWaalsContact O-N 3.14Å; K713-A723 HydrophobicContact CB-CB 3.48Å; K713-A723 VanDerWaalsContact CB-CB 3.48Å; K713-A723 HydrophobicContact CD-CB 4.07Å; K713-A723 WeakPolarHBondContact CD-O 3.23Å; K713-A723 HydrophobicContact CG-CB 4.37Å; K713-F724 CarbonylContact C-O 3.56Å; K713-F724 WeakPolarHBondContact CA-O 3.49Å
714	P	81.8	Confident	81.6	Confident	72 Å²	72	81.2 Å²	81.2	47%	0.468	42%	0.422	S	S	.	.			trans	-65.3	-20.6	-170.2	-21.4	33.6	0	0	0	113.7	E712	E712-P714 WeakPolarHBondContact O-CD 3.47Å
715	Y	84.2	Confident	81.5	Confident	93 Å²	93	81.8 Å²	81.8	37%	0.365	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	92.7	-171.7	-55.9	-74.8	0	0	0	110.3	K713 A723 F724	K713-Y715 PolarHBondContact O-N 3.36Å; K713-Y715 VanDerWaalsContact O-N 3.14Å; Y715-A723 CarbonylContact O-C 3.37Å; Y715-A723 WeakPolarHBondContact O-CA 3.49Å; Y715-F724 PolarHBondContact N-O 3.14Å; Y715-F724 VanDerWaalsContact N-O 3.15Å; Y715-F724 PolarHBondContact O-N 3.24Å
716	K	83.1	Confident	81.4	Confident	152 Å²	152	86 Å²	86	66%	0.661	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.1	179.2	-64.1	-174.8	178.4	-179.2	0	111.7	A723	K716-A723 HydrophobicContact CG-CB 3.84Å
717	C	88.4	Confident	81.5	Confident	2 Å²	2	84.6 Å²	84.6	1%	0.014	44%	0.44	C	S	.	.			trans	-82.7	118.5	169	-172.7	0	0	0	0	109.5	K719 G721 K722 F724 L730 H737	C717-K719 VanDerWaalsContact C-N 3.26Å; C717-K719 PolarHBondContact O-N 3.24Å; C717-G721 VanDerWaalsContact O-CA 3.24Å; C717-G721 WeakPolarHBondContact O-CA 3.48Å; C717-G721 PolarHBondContact O-N 2.74Å; C717-K722 VanDerWaalsContact CB-O 3.32Å; C717-K722 WeakPolarHBondContact CB-O 3.22Å; C717-K722 PolarHBondContact N-O 3.44Å; C717-F724 HydrophobicContact CB-CE2 4.5Å; C717-L730 HydrophobicContact CB-CD1 3.62Å; C717-H737 PolarHBondContact SG-NE2 3.22Å; C717-H737 VanDerWaalsContact SG-NE2 3.41Å
718	E	84.6	Confident	81.5	Confident	185 Å²	185	85.7 Å²	85.7	86%	0.864	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.1	178.6	-68.7	168.1	178.2	0	0	112.7
719	K	78.4	Confident	81.6	Confident	153 Å²	153	83.3 Å²	83.3	67%	0.665	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-32.5	-177.3	-71.6	-170.9	174	-171.6	0	114.5	C717 H737	C717-K719 VanDerWaalsContact C-N 3.26Å; C717-K719 PolarHBondContact O-N 3.24Å; K719-H737 HydrophobicContact CD-CB 3.73Å
720	C	83.2	Confident	81.8	Confident	55 Å²	55	80.6 Å²	80.6	37%	0.372	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	7.6	-174.2	71.1	0	0	0	0	114.4	K722 H733 H737	C720-K722 PolarHBondContact O-N 3.37Å; C720-H733 PolarHBondContact SG-NE2 2.87Å; C720-H737 VanDerWaalsContact SG-CE1 3.58Å; C720-H737 PolarHBondContact SG-NE2 3.19Å
721	G	80.6	Confident	82	Confident	57 Å²	57	82 Å²	82	59%	0.588	43%	0.431	S	S	*	.			trans	70.4	-10.2	179.3	0	0	0	0	0	115.7	C717 A723	C717-G721 VanDerWaalsContact O-CA 3.24Å; C717-G721 WeakPolarHBondContact O-CA 3.48Å; C717-G721 PolarHBondContact O-N 2.74Å; G721-A723 PolarHBondContact O-N 3.14Å
722	K	83	Confident	82.2	Confident	134 Å²	134	83 Å²	83	58%	0.583	42%	0.422	S	S	*	.			trans	-61	129.2	-179.2	-72.6	-174.1	178.7	-179.9	0	111	C717 C720 F724	C717-K722 VanDerWaalsContact CB-O 3.32Å; C717-K722 WeakPolarHBondContact CB-O 3.22Å; C717-K722 PolarHBondContact N-O 3.44Å; C720-K722 PolarHBondContact O-N 3.37Å; K722-F724 HydrophobicContact CB-CE2 3.92Å; K722-F724 HydrophobicContact CB-CZ 3.97Å; K722-F724 WeakPolarHBondContact O-CE2 3.31Å
723	A	84.9	Confident	82.4	Confident	27 Å²	27	78 Å²	78	22%	0.223	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.4	-176.9	0	0	0	0	0	111.4	K713 Y715 K716 G721	K713-A723 HydrophobicContact CB-CB 3.48Å; K713-A723 VanDerWaalsContact CB-CB 3.48Å; K713-A723 HydrophobicContact CD-CB 4.07Å; K713-A723 WeakPolarHBondContact CD-O 3.23Å; K713-A723 HydrophobicContact CG-CB 4.37Å; Y715-A723 CarbonylContact O-C 3.37Å; Y715-A723 WeakPolarHBondContact O-CA 3.49Å; K716-A723 HydrophobicContact CG-CB 3.84Å; G721-A723 PolarHBondContact O-N 3.14Å
724	F	84.1	Confident	82.4	Confident	41 Å²	41	76.7 Å²	76.7	18%	0.18	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.2	-175.6	-57	-89.4	0	0	0	111	K713 Y715 C717 K722 N729 L730 H733	K713-F724 CarbonylContact C-O 3.56Å; K713-F724 WeakPolarHBondContact CA-O 3.49Å; Y715-F724 PolarHBondContact N-O 3.14Å; Y715-F724 VanDerWaalsContact N-O 3.15Å; Y715-F724 PolarHBondContact O-N 3.24Å; C717-F724 HydrophobicContact CB-CE2 4.5Å; K722-F724 HydrophobicContact CB-CE2 3.92Å; K722-F724 HydrophobicContact CB-CZ 3.97Å; K722-F724 WeakPolarHBondContact O-CE2 3.31Å; F724-N729 HydrophobicContact CB-CB 4.13Å; F724-N729 HydrophobicContact CD1-CB 3.91Å; F724-N729 HydrophobicContact CG-CB 4.23Å; F724-L730 HydrophobicContact CB-CB 4.47Å; F724-L730 HydrophobicContact CD2-CB 3.95Å; F724-L730 HydrophobicContact CD2-CD1 3.85Å; F724-L730 HydrophobicContact CE2-CD1 4Å; F724-L730 HydrophobicContact CG-CB 4.42Å; F724-H733 HydrophobicContact CE1-CB 4.01Å; F724-H733 HydrophobicContact CE2-CB 3.78Å; F724-H733 AromaticContact CE2-CD2 3.45Å; F724-H733 VanDerWaalsContact CE2-CD2 3.45Å; F724-H733 WeakPolarHBondContact CE2-CD2 3.23Å; F724-H733 AromaticContact CE2-CG 3.58Å; F724-H733 HydrophobicContact CZ-CB 3.41Å; F724-H733 VanDerWaalsContact CZ-CB 3.41Å; F724-H733 AromaticContact CZ-CD2 3.55Å; F724-H733 AromaticContact CZ-CG 3.21Å; F724-H733 AromaticContact CZ-ND1 3.67Å
725	N	79.4	Confident	82.3	Confident	48 Å²	48	75.9 Å²	75.9	26%	0.257	38%	0.382	S	S	.	.	S	Bend	trans	-83.1	-10.7	177.3	59.8	16.5	0	0	0	113.5	I707	I707-N725 HydrophobicContact CG2-CB 3.85Å
726	R	80.3	Confident	82	Confident	106 Å²	106	76.1 Å²	76.1	40%	0.4	39%	0.388	S	S	.	.	S	Bend	trans	-136.3	142.4	179	-67.9	178.3	178.7	179.3	-0.8	110.8	T704 S728 N729 L730	T704-R726 PolarHBondContact OG1-NH2 2.73Å; T704-R726 VanDerWaalsContact OG1-NH2 3.15Å; R726-S728 VanDerWaalsContact C-N 3.33Å; R726-S728 PolarHBondContact O-N 3.49Å; R726-N729 HydrophobicContact CB-CB 4.49Å; R726-N729 PolarHBondContact O-N 3.22Å; R726-L730 PolarHBondContact O-N 3.35Å
727	S	82.1	Confident	81.7	Confident	59 Å²	59	71.9 Å²	71.9	41%	0.413	37%	0.371	S	S	.	.	H	α-helix	trans	-65	-35.1	177.8	59.3	0	0	0	0	112.9	N729 L730 I731	S727-N729 VanDerWaalsContact C-N 3.28Å; S727-N729 PolarHBondContact O-N 3.3Å; S727-L730 PolarHBondContact O-N 2.83Å; S727-I731 WeakPolarHBondContact O-CG1 3.23Å; S727-I731 PolarHBondContact O-N 2.84Å
728	S	82.4	Confident	81	Confident	60 Å²	60	75.2 Å²	75.2	42%	0.42	39%	0.391	S	S	.	.	H	α-helix	trans	-56.7	-43.1	175	54.3	0	0	0	0	111.7	R726 L730 I731 E732	R726-S728 VanDerWaalsContact C-N 3.33Å; R726-S728 PolarHBondContact O-N 3.49Å; S728-L730 VanDerWaalsContact C-N 3.33Å; S728-L730 PolarHBondContact O-N 3.12Å; S728-I731 PolarHBondContact O-N 2.87Å; S728-E732 VanDerWaalsContact O-CB 3.29Å; S728-E732 WeakPolarHBondContact O-CB 3.45Å; S728-E732 PolarHBondContact O-N 3.27Å
729	N	83.1	Confident	80.3	Confident	52 Å²	52	69.1 Å²	69.1	28%	0.278	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-33.6	-178.5	-59.7	10.8	0	0	0	111	F724 R726 S727 H733	F724-N729 HydrophobicContact CB-CB 4.13Å; F724-N729 HydrophobicContact CD1-CB 3.91Å; F724-N729 HydrophobicContact CG-CB 4.23Å; R726-N729 HydrophobicContact CB-CB 4.49Å; R726-N729 PolarHBondContact O-N 3.22Å; S727-N729 VanDerWaalsContact C-N 3.28Å; S727-N729 PolarHBondContact O-N 3.3Å; N729-H733 WeakPolarHBondContact O-CB 3.45Å; N729-H733 PolarHBondContact O-N 3.35Å
730	L	83.8	Confident	80	Confident	19 Å²	19	67 Å²	67	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-67.5	-44.2	172.3	174.5	62.6	0	0	0	111.5	C717 F724 R726 S727 S728 E732 H733 K734	C717-L730 HydrophobicContact CB-CD1 3.62Å; F724-L730 HydrophobicContact CB-CB 4.47Å; F724-L730 HydrophobicContact CD2-CB 3.95Å; F724-L730 HydrophobicContact CD2-CD1 3.85Å; F724-L730 HydrophobicContact CE2-CD1 4Å; F724-L730 HydrophobicContact CG-CB 4.42Å; R726-L730 PolarHBondContact O-N 3.35Å; S727-L730 PolarHBondContact O-N 2.83Å; S728-L730 VanDerWaalsContact C-N 3.33Å; S728-L730 PolarHBondContact O-N 3.12Å; L730-E732 VanDerWaalsContact C-N 3.3Å; L730-E732 PolarHBondContact O-N 2.79Å; L730-H733 PolarHBondContact O-N 3.35Å; L730-K734 HydrophobicContact CD1-CG 4.38Å; L730-K734 WeakPolarHBondContact O-CG 3.38Å; L730-K734 PolarHBondContact O-N 3.26Å
731	I	81.7	Confident	79.6	Confident	108 Å²	108	69.2 Å²	69.2	55%	0.554	38%	0.375	S	S	*	.	H	α-helix	trans	-61.1	-44	176.6	-67.1	166.8	0	0	0	110.1	S727 S728 K734	S727-I731 WeakPolarHBondContact O-CG1 3.23Å; S727-I731 PolarHBondContact O-N 2.84Å; S728-I731 PolarHBondContact O-N 2.87Å; I731-K734 WeakPolarHBondContact O-CB 3.44Å; I731-K734 PolarHBondContact O-N 3.12Å
732	E	78.8	Confident	79.5	Confident	75 Å²	75	70 Å²	70	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-61.1	-48	176.2	-170.4	-178.2	173	0	0	111.5	S728 L730 K734 K735 Y754	S728-E732 VanDerWaalsContact O-CB 3.29Å; S728-E732 WeakPolarHBondContact O-CB 3.45Å; S728-E732 PolarHBondContact O-N 3.27Å; L730-E732 VanDerWaalsContact C-N 3.3Å; L730-E732 PolarHBondContact O-N 2.79Å; E732-K734 VanDerWaalsContact C-N 3.29Å; E732-K734 PolarHBondContact O-N 3.49Å; E732-K735 VanDerWaalsContact O-CB 3.31Å; E732-K735 WeakPolarHBondContact O-CB 3.41Å; E732-K735 PolarHBondContact O-N 3.24Å; E732-K735 VanDerWaalsContact O-N 3.11Å; E732-Y754 HydrophobicContact CG-CD1 4.11Å; E732-Y754 HydrophobicContact CG-CE1 3.2Å; E732-Y754 WeakPolarHBondContact OE1-CE1 3.29Å; E732-Y754 PolarHBondContact OE1-OH 3.43Å
733	H	82.3	Confident	79.3	Confident	17 Å²	17	67.7 Å²	67.7	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-36.8	175.6	172.4	67.1	0	0	0	112.9	C720 F724 N729 L730 K735 I736 H737	C720-H733 PolarHBondContact SG-NE2 2.87Å; F724-H733 HydrophobicContact CE1-CB 4.01Å; F724-H733 HydrophobicContact CE2-CB 3.78Å; F724-H733 AromaticContact CE2-CD2 3.45Å; F724-H733 VanDerWaalsContact CE2-CD2 3.45Å; F724-H733 WeakPolarHBondContact CE2-CD2 3.23Å; F724-H733 AromaticContact CE2-CG 3.58Å; F724-H733 HydrophobicContact CZ-CB 3.41Å; F724-H733 VanDerWaalsContact CZ-CB 3.41Å; F724-H733 AromaticContact CZ-CD2 3.55Å; F724-H733 AromaticContact CZ-CG 3.21Å; F724-H733 AromaticContact CZ-ND1 3.67Å; N729-H733 WeakPolarHBondContact O-CB 3.45Å; N729-H733 PolarHBondContact O-N 3.35Å; L730-H733 PolarHBondContact O-N 3.35Å; H733-K735 PolarHBondContact O-N 3.46Å; H733-I736 VanDerWaalsContact O-CB 3.31Å; H733-I736 WeakPolarHBondContact O-CB 3.46Å; H733-I736 WeakPolarHBondContact O-CG1 3.36Å; H733-I736 PolarHBondContact O-N 2.99Å; H733-H737 AromaticContact CD2-NE2 3.72Å; H733-H737 AromaticContact CE1-NE2 3.53Å; H733-H737 AromaticContact NE2-CD2 3.76Å; H733-H737 AromaticContact NE2-CE1 3.85Å; H733-H737 AromaticContact NE2-NE2 2.93Å; H733-H737 PolarHBondContact NE2-NE2 3.37Å
734	K	79.8	Confident	79.2	Confident	96 Å²	96	72.9 Å²	72.9	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-26.5	177.2	-79.2	-178.7	177.8	-166.8	0	112.8	L730 I731 E732 I736 H737 T738	L730-K734 HydrophobicContact CD1-CG 4.38Å; L730-K734 WeakPolarHBondContact O-CG 3.38Å; L730-K734 PolarHBondContact O-N 3.26Å; I731-K734 WeakPolarHBondContact O-CB 3.44Å; I731-K734 PolarHBondContact O-N 3.12Å; E732-K734 VanDerWaalsContact C-N 3.29Å; E732-K734 PolarHBondContact O-N 3.49Å; K734-I736 PolarHBondContact O-N 2.82Å; K734-H737 PolarHBondContact O-N 3.39Å; K734-H737 VanDerWaalsContact O-N 3.11Å; K734-T738 PolarHBondContact O-N 3.24Å
735	K	80.7	Confident	79.3	Confident	54 Å²	54	71 Å²	71	24%	0.235	37%	0.368	C	S	.	.	H	α-helix	trans	-64.5	-25.2	175.5	-60.4	-177.4	176.2	-175.8	0	113.3	E732 H733 H737 T738 G739 E740	E732-K735 VanDerWaalsContact O-CB 3.31Å; E732-K735 WeakPolarHBondContact O-CB 3.41Å; E732-K735 PolarHBondContact O-N 3.24Å; E732-K735 VanDerWaalsContact O-N 3.11Å; H733-K735 PolarHBondContact O-N 3.46Å; K735-H737 VanDerWaalsContact C-N 3.33Å; K735-T738 WeakPolarHBondContact CA-OG1 3.18Å; K735-T738 PolarHBondContact O-N 3.19Å; K735-T738 PolarHBondContact O-OG1 3.48Å; K735-G739 PolarHBondContact O-N 2.82Å; K735-G739 VanDerWaalsContact O-N 3.09Å; K735-E740 PolarHBondContact O-N 3.09Å
736	I	77.8	Confident	79.4	Confident	98 Å²	98	76.9 Å²	76.9	50%	0.503	39%	0.394	S	S	.	.	H	α-helix	trans	-68.7	-37.6	175.4	-55	174.2	0	0	0	110	H733 K734	H733-I736 VanDerWaalsContact O-CB 3.31Å; H733-I736 WeakPolarHBondContact O-CB 3.46Å; H733-I736 WeakPolarHBondContact O-CG1 3.36Å; H733-I736 PolarHBondContact O-N 2.99Å; K734-I736 PolarHBondContact O-N 2.82Å
737	H	76.8	Confident	79.5	Confident	64 Å²	64	78 Å²	78	30%	0.296	40%	0.404	S	S	.	.	H	α-helix	trans	-75.8	-23.2	178.1	-62.8	-55.4	0	0	0	113.8	C717 K719 C720 H733 K734 K735	C717-H737 PolarHBondContact SG-NE2 3.22Å; C717-H737 VanDerWaalsContact SG-NE2 3.41Å; K719-H737 HydrophobicContact CD-CB 3.73Å; C720-H737 VanDerWaalsContact SG-CE1 3.58Å; C720-H737 PolarHBondContact SG-NE2 3.19Å; H733-H737 AromaticContact CD2-NE2 3.72Å; H733-H737 AromaticContact CE1-NE2 3.53Å; H733-H737 AromaticContact NE2-CD2 3.76Å; H733-H737 AromaticContact NE2-CE1 3.85Å; H733-H737 AromaticContact NE2-NE2 2.93Å; H733-H737 PolarHBondContact NE2-NE2 3.37Å; K734-H737 PolarHBondContact O-N 3.39Å; K734-H737 VanDerWaalsContact O-N 3.11Å; K735-H737 VanDerWaalsContact C-N 3.33Å
738	T	73.9	Confident	79.5	Confident	72 Å²	72	77.7 Å²	77.7	44%	0.442	40%	0.401	S	S	.	.	H	α-helix	trans	-93.9	-10	178.2	58.4	0	0	0	0	112.5	K734 K735 E740	K734-T738 PolarHBondContact O-N 3.24Å; K735-T738 WeakPolarHBondContact CA-OG1 3.18Å; K735-T738 PolarHBondContact O-N 3.19Å; K735-T738 PolarHBondContact O-OG1 3.48Å; T738-E740 PolarHBondContact O-N 3.41Å; T738-E740 WeakPolarHBondContact OG1-CG 3.33Å
739	G	68.9	Low	79.3	Confident	57 Å²	57	77.5 Å²	77.5	59%	0.588	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	11.7	-174.9	0	0	0	0	0	113.6	K735 Q741	K735-G739 PolarHBondContact O-N 2.82Å; K735-G739 VanDerWaalsContact O-N 3.09Å; G739-Q741 PolarHBondContact O-N 3.18Å; G739-Q741 VanDerWaalsContact O-N 3.14Å
740	E	71.6	Confident	79.3	Confident	107 Å²	107	81.3 Å²	81.3	50%	0.5	42%	0.422	S	S	.	.			trans	-66.1	115.7	-178.5	-77.4	175.9	-157.7	0	0	110.2	K735 T738 P742	K735-E740 PolarHBondContact O-N 3.09Å; T738-E740 PolarHBondContact O-N 3.41Å; T738-E740 WeakPolarHBondContact OG1-CG 3.33Å; E740-P742 WeakPolarHBondContact O-CD 3.11Å
741	Q	75.3	Confident	79.2	Confident	102 Å²	102	81.6 Å²	81.6	48%	0.477	43%	0.427	S	S	.	.			trans	-116.4	78.4	171.2	-65.9	-175.9	-35.9	0	0	109.8	G739 Y743 A751 F752	G739-Q741 PolarHBondContact O-N 3.18Å; G739-Q741 VanDerWaalsContact O-N 3.14Å; Q741-Y743 PolarHBondContact O-N 3.37Å; Q741-A751 HydrophobicContact CB-CB 3.63Å; Q741-A751 VanDerWaalsContact CD-O 3.31Å; Q741-A751 HydrophobicContact CG-CB 4.48Å; Q741-A751 PolarHBondContact NE2-O 3.12Å; Q741-A751 PolarHBondContact OE1-O 3.34Å; Q741-F752 CarbonylContact C-O 3.32Å; Q741-F752 WeakPolarHBondContact CA-O 3.48Å
742	P	78.4	Confident	79.1	Confident	75 Å²	75	78.3 Å²	78.3	49%	0.487	41%	0.409	S	S	.	.			trans	-69.4	-16	-173.1	-17.2	31.9	0	0	0	113.5	E740	E740-P742 WeakPolarHBondContact O-CD 3.11Å
743	Y	80.2	Confident	79.1	Confident	84 Å²	84	76.6 Å²	76.6	33%	0.329	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	92.9	-170.3	-56.2	-72.9	0	0	0	110	Q741 A751 F752 Y754	Q741-Y743 PolarHBondContact O-N 3.37Å; Y743-A751 CarbonylContact O-C 3.56Å; Y743-A751 WeakPolarHBondContact O-CA 3.39Å; Y743-F752 PolarHBondContact N-O 3.38Å; Y743-F752 PolarHBondContact O-N 3.41Å; Y743-Y754 VanDerWaalsContact CD2-C 3.41Å
744	K	81.3	Confident	78.8	Confident	136 Å²	136	78 Å²	78	59%	0.591	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.3	178.7	-60.9	-173.2	178.7	-178.8	0	111.5	A751 L758	K744-A751 HydrophobicContact CG-CB 3.9Å; K744-L758 WeakPolarHBondContact O-CD2 3.34Å
745	C	86.4	Confident	78.8	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.014	41%	0.406	C	S	.	.			trans	-85.7	116.8	169.9	180	0	0	0	0	109.1	E747 G749 K750 F752 L758 H765	C745-E747 PolarHBondContact O-N 2.72Å; C745-G749 WeakPolarHBondContact O-CA 3.34Å; C745-G749 PolarHBondContact O-N 2.93Å; C745-K750 WeakPolarHBondContact CB-O 3.4Å; C745-K750 PolarHBondContact N-O 3.49Å; C745-F752 HydrophobicContact CB-CE2 4.47Å; C745-L758 HydrophobicContact CB-CD1 3.61Å; C745-H765 PolarHBondContact SG-NE2 3.01Å; C745-H765 VanDerWaalsContact SG-NE2 3.43Å
746	E	82.5	Confident	78.8	Confident	171 Å²	171	76.6 Å²	76.6	80%	0.799	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.8	179.2	-57.3	-56.8	147.8	0	0	112.8
747	E	80.9	Confident	79	Confident	130 Å²	130	76 Å²	76	61%	0.607	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-27.4	-175.6	-68.6	170.6	166.9	0	0	114	C745 H765	C745-E747 PolarHBondContact O-N 2.72Å; E747-H765 WeakPolarHBondContact OE2-CB 3.5Å; E747-H765 IonicContact OE2-CD2 3.01Å; E747-H765 PolarHBondContact OE2-CD2 3.46Å; E747-H765 IonicContact OE2-CG 3.09Å
748	C	83.3	Confident	79.2	Confident	53 Å²	53	73.7 Å²	73.7	36%	0.358	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	7.3	-176.9	74.5	0	0	0	0	114.7	K750 H761 H765	C748-K750 PolarHBondContact O-N 2.97Å; C748-H761 PolarHBondContact SG-NE2 3.24Å; C748-H765 PolarHBondContact SG-NE2 3.05Å; C748-H765 VanDerWaalsContact SG-NE2 3.36Å
749	G	78.6	Confident	79.6	Confident	55 Å²	55	74.7 Å²	74.7	57%	0.567	40%	0.404	S	S	*	.			trans	70.2	-7.9	177.9	0	0	0	0	0	115.9	C745 A751	C745-G749 WeakPolarHBondContact O-CA 3.34Å; C745-G749 PolarHBondContact O-N 2.93Å; G749-A751 PolarHBondContact O-N 2.96Å
750	K	82	Confident	80.2	Confident	132 Å²	132	73.7 Å²	73.7	57%	0.574	39%	0.386	S	S	*	.			trans	-62.6	128.8	-178.3	-72.2	-176.4	-180	179.2	0	111.3	C745 C748 F752	C745-K750 WeakPolarHBondContact CB-O 3.4Å; C745-K750 PolarHBondContact N-O 3.49Å; C748-K750 PolarHBondContact O-N 2.97Å; K750-F752 HydrophobicContact CB-CE2 3.85Å; K750-F752 HydrophobicContact CB-CZ 3.97Å; K750-F752 WeakPolarHBondContact O-CE2 3.42Å
751	A	81.2	Confident	80.7	Confident	25 Å²	25	69.4 Å²	69.4	21%	0.207	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141	-178.8	0	0	0	0	0	111.1	Q741 Y743 K744 G749	Q741-A751 HydrophobicContact CB-CB 3.63Å; Q741-A751 VanDerWaalsContact CD-O 3.31Å; Q741-A751 HydrophobicContact CG-CB 4.48Å; Q741-A751 PolarHBondContact NE2-O 3.12Å; Q741-A751 PolarHBondContact OE1-O 3.34Å; Y743-A751 CarbonylContact O-C 3.56Å; Y743-A751 WeakPolarHBondContact O-CA 3.39Å; K744-A751 HydrophobicContact CG-CB 3.9Å; G749-A751 PolarHBondContact O-N 2.96Å
752	F	80.8	Confident	81	Confident	39 Å²	39	68.6 Å²	68.6	17%	0.171	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.9	-176.7	-58.5	-89.5	0	0	0	110.3	Q741 Y743 C745 K750 Y754 H757 L758 H761	Q741-F752 CarbonylContact C-O 3.32Å; Q741-F752 WeakPolarHBondContact CA-O 3.48Å; Y743-F752 PolarHBondContact N-O 3.38Å; Y743-F752 PolarHBondContact O-N 3.41Å; C745-F752 HydrophobicContact CB-CE2 4.47Å; K750-F752 HydrophobicContact CB-CE2 3.85Å; K750-F752 HydrophobicContact CB-CZ 3.97Å; K750-F752 WeakPolarHBondContact O-CE2 3.42Å; F752-Y754 VanDerWaalsContact C-N 3.31Å; F752-H757 HydrophobicContact CB-CB 4.16Å; F752-H757 HydrophobicContact CD1-CB 3.86Å; F752-H757 HydrophobicContact CG-CB 4.23Å; F752-L758 HydrophobicContact CB-CB 4.39Å; F752-L758 HydrophobicContact CD2-CB 3.92Å; F752-L758 HydrophobicContact CD2-CD1 3.8Å; F752-L758 HydrophobicContact CD2-CG 4.47Å; F752-L758 HydrophobicContact CE2-CD1 3.97Å; F752-L758 HydrophobicContact CG-CB 4.35Å; F752-H761 HydrophobicContact CE1-CB 4.08Å; F752-H761 HydrophobicContact CE2-CB 3.86Å; F752-H761 AromaticContact CE2-CD2 3.48Å; F752-H761 VanDerWaalsContact CE2-CD2 3.48Å; F752-H761 WeakPolarHBondContact CE2-CD2 3.4Å; F752-H761 AromaticContact CE2-CG 3.62Å; F752-H761 HydrophobicContact CZ-CB 3.47Å; F752-H761 VanDerWaalsContact CZ-CB 3.47Å; F752-H761 AromaticContact CZ-CD2 3.58Å; F752-H761 AromaticContact CZ-CG 3.25Å; F752-H761 AromaticContact CZ-ND1 3.69Å
753	N	77.9	Confident	81.2	Confident	40 Å²	40	67.9 Å²	67.9	21%	0.214	35%	0.349	C	S	.	.	S	Bend	trans	-74.5	-21.4	173.9	54.8	-5	0	0	0	112.9
754	Y	77.3	Confident	81.2	Confident	46 Å²	46	68.4 Å²	68.4	18%	0.18	36%	0.356	C	S	.	.	S	Bend	trans	-127	141.8	-179.7	-51.2	-47.1	0	0	0	112.9	E732 Y743 F752 S756 H757 L758	E732-Y754 HydrophobicContact CG-CD1 4.11Å; E732-Y754 HydrophobicContact CG-CE1 3.2Å; E732-Y754 WeakPolarHBondContact OE1-CE1 3.29Å; E732-Y754 PolarHBondContact OE1-OH 3.43Å; Y743-Y754 VanDerWaalsContact CD2-C 3.41Å; F752-Y754 VanDerWaalsContact C-N 3.31Å; Y754-S756 VanDerWaalsContact C-N 3.31Å; Y754-S756 PolarHBondContact O-N 3.49Å; Y754-H757 AromaticContact CD2-CE1 3.46Å; Y754-H757 VanDerWaalsContact CD2-CE1 3.46Å; Y754-H757 WeakPolarHBondContact CD2-CE1 3.25Å; Y754-H757 AromaticContact CD2-ND1 3.51Å; Y754-H757 AromaticContact CD2-NE2 3.97Å; Y754-H757 PolarHBondContact O-N 3.09Å; Y754-L758 PolarHBondContact O-N 3.22Å
755	S	78.9	Confident	81.1	Confident	56 Å²	56	65.3 Å²	65.3	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-32.4	175.9	59.7	0	0	0	0	112.8	H757 L758 N759	S755-H757 VanDerWaalsContact C-N 3.34Å; S755-L758 PolarHBondContact O-N 3.23Å; S755-N759 WeakPolarHBondContact O-CB 3.23Å; S755-N759 VanDerWaalsContact O-CG 3.32Å; S755-N759 PolarHBondContact O-N 3.09Å
756	S	80.1	Confident	80.8	Confident	64 Å²	64	69.2 Å²	69.2	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-42.2	173.9	51.2	0	0	0	0	111.7	Y754 N759 T760	Y754-S756 VanDerWaalsContact C-N 3.31Å; Y754-S756 PolarHBondContact O-N 3.49Å; S756-N759 PolarHBondContact O-N 2.89Å; S756-T760 WeakPolarHBondContact O-CG2 3.45Å; S756-T760 PolarHBondContact O-N 3.3Å; S756-T760 PolarHBondContact O-OG1 3.41Å
757	H	81.9	Confident	80.4	Confident	87 Å²	87	69.7 Å²	69.7	40%	0.403	37%	0.367	S	S	.	.	H	α-helix	trans	-66.1	-43	177.1	-71.1	-177.4	0	0	0	111.7	F752 Y754 S755 N759 T760 H761	F752-H757 HydrophobicContact CB-CB 4.16Å; F752-H757 HydrophobicContact CD1-CB 3.86Å; F752-H757 HydrophobicContact CG-CB 4.23Å; Y754-H757 AromaticContact CD2-CE1 3.46Å; Y754-H757 VanDerWaalsContact CD2-CE1 3.46Å; Y754-H757 WeakPolarHBondContact CD2-CE1 3.25Å; Y754-H757 AromaticContact CD2-ND1 3.51Å; Y754-H757 AromaticContact CD2-NE2 3.97Å; Y754-H757 PolarHBondContact O-N 3.09Å; S755-H757 VanDerWaalsContact C-N 3.34Å; H757-N759 VanDerWaalsContact C-N 3.33Å; H757-N759 PolarHBondContact O-N 2.91Å; H757-T760 WeakPolarHBondContact CA-OG1 3.34Å; H757-T760 PolarHBondContact O-N 2.91Å; H757-T760 PolarHBondContact O-OG1 3.02Å; H757-H761 VanDerWaalsContact O-CB 3.23Å; H757-H761 WeakPolarHBondContact O-CB 3.35Å; H757-H761 PolarHBondContact O-N 2.81Å
758	L	82.6	Confident	80.3	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.079	36%	0.361	C	S	.	.	H	α-helix	trans	-58.6	-45.3	171.9	175.5	62.3	0	0	0	111.2	K744 C745 F752 Y754 S755 H761 K762	K744-L758 WeakPolarHBondContact O-CD2 3.34Å; C745-L758 HydrophobicContact CB-CD1 3.61Å; F752-L758 HydrophobicContact CB-CB 4.39Å; F752-L758 HydrophobicContact CD2-CB 3.92Å; F752-L758 HydrophobicContact CD2-CD1 3.8Å; F752-L758 HydrophobicContact CD2-CG 4.47Å; F752-L758 HydrophobicContact CE2-CD1 3.97Å; F752-L758 HydrophobicContact CG-CB 4.35Å; Y754-L758 PolarHBondContact O-N 3.22Å; S755-L758 PolarHBondContact O-N 3.23Å; L758-H761 WeakPolarHBondContact O-CB 3.46Å; L758-H761 PolarHBondContact O-N 3.19Å; L758-H761 VanDerWaalsContact O-N 3.17Å; L758-K762 HydrophobicContact CD1-CG 4.31Å; L758-K762 WeakPolarHBondContact O-CG 3.28Å; L758-K762 PolarHBondContact O-N 2.8Å
759	N	81.6	Confident	80.1	Confident	92 Å²	92	70.7 Å²	70.7	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-41.3	178.6	-74.7	-13.2	0	0	0	112.6	S755 S756 H757 H761 K762 R763	S755-N759 WeakPolarHBondContact O-CB 3.23Å; S755-N759 VanDerWaalsContact O-CG 3.32Å; S755-N759 PolarHBondContact O-N 3.09Å; S756-N759 PolarHBondContact O-N 2.89Å; H757-N759 VanDerWaalsContact C-N 3.33Å; H757-N759 PolarHBondContact O-N 2.91Å; N759-H761 VanDerWaalsContact C-N 3.27Å; N759-H761 PolarHBondContact O-N 3.18Å; N759-K762 PolarHBondContact O-N 3.4Å; N759-R763 PolarHBondContact O-N 3.17Å
760	T	80.9	Confident	80.2	Confident	36 Å²	36	70.8 Å²	70.8	22%	0.221	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-32	173.3	51.2	0	0	0	0	112.5	S756 H757 R763 Q782	S756-T760 WeakPolarHBondContact O-CG2 3.45Å; S756-T760 PolarHBondContact O-N 3.3Å; S756-T760 PolarHBondContact O-OG1 3.41Å; H757-T760 WeakPolarHBondContact CA-OG1 3.34Å; H757-T760 PolarHBondContact O-N 2.91Å; H757-T760 PolarHBondContact O-OG1 3.02Å; T760-R763 WeakPolarHBondContact O-CB 3.2Å; T760-Q782 HydrophobicContact CG2-CG 4.31Å
761	H	82.9	Confident	80.3	Confident	18 Å²	18	68 Å²	68	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-71.8	-40.8	176.8	170.7	70.9	0	0	0	111.9	C748 F752 H757 L758 N759 R763 I764 H765	C748-H761 PolarHBondContact SG-NE2 3.24Å; F752-H761 HydrophobicContact CE1-CB 4.08Å; F752-H761 HydrophobicContact CE2-CB 3.86Å; F752-H761 AromaticContact CE2-CD2 3.48Å; F752-H761 VanDerWaalsContact CE2-CD2 3.48Å; F752-H761 WeakPolarHBondContact CE2-CD2 3.4Å; F752-H761 AromaticContact CE2-CG 3.62Å; F752-H761 HydrophobicContact CZ-CB 3.47Å; F752-H761 VanDerWaalsContact CZ-CB 3.47Å; F752-H761 AromaticContact CZ-CD2 3.58Å; F752-H761 AromaticContact CZ-CG 3.25Å; F752-H761 AromaticContact CZ-ND1 3.69Å; H757-H761 VanDerWaalsContact O-CB 3.23Å; H757-H761 WeakPolarHBondContact O-CB 3.35Å; H757-H761 PolarHBondContact O-N 2.81Å; L758-H761 WeakPolarHBondContact O-CB 3.46Å; L758-H761 PolarHBondContact O-N 3.19Å; L758-H761 VanDerWaalsContact O-N 3.17Å; N759-H761 VanDerWaalsContact C-N 3.27Å; N759-H761 PolarHBondContact O-N 3.18Å; H761-R763 PolarHBondContact O-N 2.97Å; H761-R763 VanDerWaalsContact O-N 3.16Å; H761-I764 WeakPolarHBondContact O-CB 3.33Å; H761-I764 WeakPolarHBondContact O-CG1 3.47Å; H761-I764 PolarHBondContact O-N 3.45Å; H761-H765 AromaticContact CD2-NE2 3.86Å; H761-H765 AromaticContact CE1-NE2 3.58Å; H761-H765 AromaticContact NE2-CD2 3.89Å; H761-H765 AromaticContact NE2-CE1 3.9Å; H761-H765 AromaticContact NE2-NE2 3.04Å; H761-H765 PolarHBondContact NE2-NE2 2.79Å
762	K	80.9	Confident	80.3	Confident	85 Å²	85	74 Å²	74	37%	0.37	37%	0.365	S	S	.	.	H	α-helix	trans	-56.2	-30.6	174.5	-75.5	-176.2	175.2	-167.1	0	112.9	L758 N759 I764 H765 T766	L758-K762 HydrophobicContact CD1-CG 4.31Å; L758-K762 WeakPolarHBondContact O-CG 3.28Å; L758-K762 PolarHBondContact O-N 2.8Å; N759-K762 PolarHBondContact O-N 3.4Å; K762-I764 PolarHBondContact O-N 3.07Å; K762-H765 PolarHBondContact O-N 3.39Å; K762-H765 VanDerWaalsContact O-N 3.13Å; K762-T766 PolarHBondContact O-N 2.89Å; K762-T766 VanDerWaalsContact O-N 3.13Å; K762-T766 PolarHBondContact O-OG1 2.73Å
763	R	83.1	Confident	80.6	Confident	60 Å²	60	72.3 Å²	72.3	23%	0.226	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-18	174.3	-66	178.8	178.1	175.4	-1.9	114.3	N759 T760 H761 T766 K767 E768 Y771 N781	N759-R763 PolarHBondContact O-N 3.17Å; T760-R763 WeakPolarHBondContact O-CB 3.2Å; H761-R763 PolarHBondContact O-N 2.97Å; H761-R763 VanDerWaalsContact O-N 3.16Å; R763-T766 WeakPolarHBondContact CA-OG1 3.49Å; R763-K767 CarbonylContact O-C 3.38Å; R763-K767 WeakPolarHBondContact O-CA 3.3Å; R763-K767 PolarHBondContact O-N 3.19Å; R763-K767 VanDerWaalsContact O-N 3.11Å; R763-E768 HydrophobicContact CB-CB 4.49Å; R763-E768 HydrophobicContact CG-CB 4.43Å; R763-E768 PolarHBondContact O-N 3.14Å; R763-E768 VanDerWaalsContact O-N 3.11Å; R763-Y771 VanDerWaalsContact NH1-CE2 3.33Å; R763-Y771 PolarHBondContact NH1-OH 3.35Å; R763-N781 HydrophobicContact CB-CB 4.49Å; R763-N781 PolarHBondContact NH1-O 3.17Å
764	I	79.6	Confident	80.8	Confident	94 Å²	94	80.5 Å²	80.5	48%	0.482	39%	0.391	S	S	.	.	H	α-helix	trans	-74	-41.7	174.9	-57.5	173.8	0	0	0	109.7	H761 K762 K767	H761-I764 WeakPolarHBondContact O-CB 3.33Å; H761-I764 WeakPolarHBondContact O-CG1 3.47Å; H761-I764 PolarHBondContact O-N 3.45Å; K762-I764 PolarHBondContact O-N 3.07Å; I764-K767 PolarHBondContact O-N 3.24Å
765	H	80.4	Confident	80.9	Confident	72 Å²	72	84.6 Å²	84.6	33%	0.333	41%	0.412	S	S	.	.	H	α-helix	trans	-70.4	-41.2	178	-58.7	-50.8	0	0	0	111.8	C745 E747 C748 H761 K762 K767	C745-H765 PolarHBondContact SG-NE2 3.01Å; C745-H765 VanDerWaalsContact SG-NE2 3.43Å; E747-H765 WeakPolarHBondContact OE2-CB 3.5Å; E747-H765 IonicContact OE2-CD2 3.01Å; E747-H765 PolarHBondContact OE2-CD2 3.46Å; E747-H765 IonicContact OE2-CG 3.09Å; C748-H765 PolarHBondContact SG-NE2 3.05Å; C748-H765 VanDerWaalsContact SG-NE2 3.36Å; H761-H765 AromaticContact CD2-NE2 3.86Å; H761-H765 AromaticContact CE1-NE2 3.58Å; H761-H765 AromaticContact NE2-CD2 3.89Å; H761-H765 AromaticContact NE2-CE1 3.9Å; H761-H765 AromaticContact NE2-NE2 3.04Å; H761-H765 PolarHBondContact NE2-NE2 2.79Å; K762-H765 PolarHBondContact O-N 3.39Å; K762-H765 VanDerWaalsContact O-N 3.13Å; H765-K767 VanDerWaalsContact C-N 3.25Å; H765-K767 PolarHBondContact O-N 3.49Å
766	T	78.6	Confident	81.1	Confident	84 Å²	84	84.5 Å²	84.5	52%	0.515	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.2	176.8	63.3	0	0	0	0	113.9	K762 R763 E768	K762-T766 PolarHBondContact O-N 2.89Å; K762-T766 VanDerWaalsContact O-N 3.13Å; K762-T766 PolarHBondContact O-OG1 2.73Å; R763-T766 WeakPolarHBondContact CA-OG1 3.49Å; T766-E768 PolarHBondContact O-N 2.92Å; T766-E768 WeakPolarHBondContact OG1-CB 3.48Å
767	K	75.5	Confident	81	Confident	180 Å²	180	83.9 Å²	83.9	78%	0.783	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	24.5	-170.9	-62.1	-179.9	-178.6	175.2	0	114	R763 I764 H765 Q769	R763-K767 CarbonylContact O-C 3.38Å; R763-K767 WeakPolarHBondContact O-CA 3.3Å; R763-K767 PolarHBondContact O-N 3.19Å; R763-K767 VanDerWaalsContact O-N 3.11Å; I764-K767 PolarHBondContact O-N 3.24Å; H765-K767 VanDerWaalsContact C-N 3.25Å; H765-K767 PolarHBondContact O-N 3.49Å; K767-Q769 PolarHBondContact O-N 3.05Å
768	E	77.3	Confident	81.1	Confident	102 Å²	102	85.9 Å²	85.9	48%	0.477	42%	0.422	S	S	.	.			trans	-73.2	121.8	-177.5	-165.1	-168.2	166	0	0	110.1	R763 T766 P770	R763-E768 HydrophobicContact CB-CB 4.49Å; R763-E768 HydrophobicContact CG-CB 4.43Å; R763-E768 PolarHBondContact O-N 3.14Å; R763-E768 VanDerWaalsContact O-N 3.11Å; T766-E768 PolarHBondContact O-N 2.92Å; T766-E768 WeakPolarHBondContact OG1-CB 3.48Å; E768-P770 HydrophobicContact CG-CG 4.09Å; E768-P770 WeakPolarHBondContact O-CD 3.4Å
769	Q	79.6	Confident	81.1	Confident	102 Å²	102	86.4 Å²	86.4	48%	0.477	43%	0.429	S	S	.	.			trans	-120.2	79.7	177.6	-66.7	-174	-31.1	0	0	110.9	K767 Y771 A779 F780	K767-Q769 PolarHBondContact O-N 3.05Å; Q769-Y771 PolarHBondContact O-N 3.28Å; Q769-A779 HydrophobicContact CB-CB 3.62Å; Q769-A779 VanDerWaalsContact CD-O 3.26Å; Q769-A779 PolarHBondContact NE2-O 3.4Å; Q769-A779 PolarHBondContact OE1-O 2.94Å; Q769-F780 CarbonylContact C-O 3.54Å; Q769-F780 WeakPolarHBondContact CA-O 3.49Å
770	P	81.8	Confident	81.2	Confident	57 Å²	57	83.9 Å²	83.9	37%	0.37	41%	0.414	S	S	.	.			trans	-69.5	-20.2	-172.3	-17.3	30.5	0	0	0	113.8	E768	E768-P770 HydrophobicContact CG-CG 4.09Å; E768-P770 WeakPolarHBondContact O-CD 3.4Å
771	Y	82.4	Confident	81.1	Confident	73 Å²	73	84.1 Å²	84.1	29%	0.286	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	100	-169.6	-54.6	-70.5	0	0	0	110.2	R763 Q769 A779 F780 Q782 Y783	R763-Y771 VanDerWaalsContact NH1-CE2 3.33Å; R763-Y771 PolarHBondContact NH1-OH 3.35Å; Q769-Y771 PolarHBondContact O-N 3.28Å; Y771-A779 CarbonylContact O-C 3.59Å; Y771-A779 WeakPolarHBondContact O-CA 3.29Å; Y771-F780 PolarHBondContact N-O 3.37Å; Y771-F780 PolarHBondContact O-N 3.24Å; Y771-Q782 VanDerWaalsContact CD2-C 3.47Å; Y771-Y783 AromaticContact CD1-CD2 3.94Å; Y771-Y783 HydrophobicContact CD1-CD2 3.94Å; Y771-Y783 HydrophobicContact CE1-CD2 4.19Å
772	K	83.3	Confident	81	Confident	151 Å²	151	86.2 Å²	86.2	66%	0.657	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.3	179.5	-59	-174.4	-179.8	-177.6	0	111.1	K778 A779	K772-K778 CarbonylContact C-O 3.6Å; K772-A779 HydrophobicContact CG-CB 3.95Å
773	C	86.4	Confident	81	Confident	4 Å²	4	89.2 Å²	89.2	3%	0.027	43%	0.434	C	S	.	.			trans	-67.8	128.4	168.1	-177.7	0	0	0	0	109	E775 G777 K778 F780 L786 N790 H793	C773-E775 VanDerWaalsContact C-N 3.34Å; C773-G777 WeakPolarHBondContact O-CA 3.45Å; C773-G777 PolarHBondContact O-N 3.03Å; C773-K778 WeakPolarHBondContact CB-O 3.44Å; C773-K778 PolarHBondContact N-O 3.44Å; C773-F780 HydrophobicContact CB-CE2 4.45Å; C773-L786 HydrophobicContact CB-CD1 3.73Å; C773-N790 PolarHBondContact SG-OD1 3.21Å; C773-N790 VanDerWaalsContact SG-OD1 3.37Å; C773-H793 PolarHBondContact SG-NE2 3.12Å; C773-H793 VanDerWaalsContact SG-NE2 3.38Å
774	K	81.1	Confident	80.9	Confident	212 Å²	212	89.2 Å²	89.2	92%	0.922	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-26.6	-179.7	-65.8	-174.2	177.3	-175.8	0	112.6
775	E	79.1	Confident	81	Confident	132 Å²	132	87.6 Å²	87.6	62%	0.617	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-40.1	-174.7	-69.1	170.2	169.7	0	0	112.2	C773 H793	C773-E775 VanDerWaalsContact C-N 3.34Å; E775-H793 WeakPolarHBondContact OE2-CB 3.15Å; E775-H793 IonicContact OE2-CD2 3.13Å; E775-H793 PolarHBondContact OE2-CD2 3.17Å; E775-H793 IonicContact OE2-CG 3.13Å
776	C	84	Confident	81.2	Confident	55 Å²	55	84.9 Å²	84.9	37%	0.372	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	8	-178.7	83.8	0	0	0	0	114.7	K778 H789 H793	C776-K778 PolarHBondContact O-N 3.47Å; C776-H789 VanDerWaalsContact SG-CE1 3.57Å; C776-H789 PolarHBondContact SG-NE2 2.89Å; C776-H793 PolarHBondContact SG-NE2 3Å
777	G	78.9	Confident	81.3	Confident	51 Å²	51	83.3 Å²	83.3	53%	0.526	41%	0.414	S	S	.	.			trans	70.9	-6.7	175.2	0	0	0	0	0	116.6	C773 A779	C773-G777 WeakPolarHBondContact O-CA 3.45Å; C773-G777 PolarHBondContact O-N 3.03Å; G777-A779 PolarHBondContact O-N 3.07Å
778	K	83.3	Confident	81.5	Confident	128 Å²	128	78.8 Å²	78.8	56%	0.557	40%	0.401	S	S	*	.			trans	-62.2	132.3	-178	-75.2	-178.3	-178.9	179.2	0	111.3	K772 C773 C776 F780	K772-K778 CarbonylContact C-O 3.6Å; C773-K778 WeakPolarHBondContact CB-O 3.44Å; C773-K778 PolarHBondContact N-O 3.44Å; C776-K778 PolarHBondContact O-N 3.47Å; K778-F780 HydrophobicContact CB-CE2 3.78Å; K778-F780 HydrophobicContact CB-CZ 3.92Å; K778-F780 WeakPolarHBondContact O-CE2 3.4Å
779	A	83.1	Confident	81.7	Confident	27 Å²	27	74.7 Å²	74.7	22%	0.223	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.7	-178.1	0	0	0	0	0	111.3	Q769 Y771 K772 G777	Q769-A779 HydrophobicContact CB-CB 3.62Å; Q769-A779 VanDerWaalsContact CD-O 3.26Å; Q769-A779 PolarHBondContact NE2-O 3.4Å; Q769-A779 PolarHBondContact OE1-O 2.94Å; Y771-A779 CarbonylContact O-C 3.59Å; Y771-A779 WeakPolarHBondContact O-CA 3.29Å; K772-A779 HydrophobicContact CG-CB 3.95Å; G777-A779 PolarHBondContact O-N 3.07Å
780	F	82.8	Confident	81.7	Confident	39 Å²	39	72.4 Å²	72.4	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.5	-176	-58.9	-89.1	0	0	0	110.7	Q769 Y771 C773 K778 N785 L786 H789	Q769-F780 CarbonylContact C-O 3.54Å; Q769-F780 WeakPolarHBondContact CA-O 3.49Å; Y771-F780 PolarHBondContact N-O 3.37Å; Y771-F780 PolarHBondContact O-N 3.24Å; C773-F780 HydrophobicContact CB-CE2 4.45Å; K778-F780 HydrophobicContact CB-CE2 3.78Å; K778-F780 HydrophobicContact CB-CZ 3.92Å; K778-F780 WeakPolarHBondContact O-CE2 3.4Å; F780-N785 HydrophobicContact CB-CB 4.18Å; F780-N785 HydrophobicContact CD1-CB 3.87Å; F780-N785 HydrophobicContact CG-CB 4.28Å; F780-L786 HydrophobicContact CB-CB 4.41Å; F780-L786 HydrophobicContact CD2-CB 3.98Å; F780-L786 HydrophobicContact CD2-CD1 3.86Å; F780-L786 HydrophobicContact CE2-CD1 4.01Å; F780-L786 HydrophobicContact CG-CB 4.38Å; F780-H789 HydrophobicContact CE1-CB 4.05Å; F780-H789 HydrophobicContact CE2-CB 3.88Å; F780-H789 AromaticContact CE2-CD2 3.41Å; F780-H789 VanDerWaalsContact CE2-CD2 3.41Å; F780-H789 WeakPolarHBondContact CE2-CD2 3.22Å; F780-H789 AromaticContact CE2-CG 3.62Å; F780-H789 HydrophobicContact CZ-CB 3.47Å; F780-H789 VanDerWaalsContact CZ-CB 3.47Å; F780-H789 AromaticContact CZ-CD2 3.51Å; F780-H789 AromaticContact CZ-CG 3.24Å; F780-H789 AromaticContact CZ-ND1 3.72Å
781	N	79.1	Confident	81.7	Confident	40 Å²	40	74.5 Å²	74.5	21%	0.214	38%	0.376	C	S	.	.	S	Bend	trans	-79.7	-20.1	178	59.1	4.9	0	0	0	113.5	R763 N785	R763-N781 HydrophobicContact CB-CB 4.49Å; R763-N781 PolarHBondContact NH1-O 3.17Å; N781-N785 PolarHBondContact OD1-ND2 2.89Å
782	Q	80	Confident	81.5	Confident	63 Å²	63	76.9 Å²	76.9	29%	0.294	39%	0.393	S	S	.	.	S	Bend	trans	-129.6	143.6	178.3	-61.6	-176.5	5	0	0	111.5	T760 Y771 S784 N785 L786	T760-Q782 HydrophobicContact CG2-CG 4.31Å; Y771-Q782 VanDerWaalsContact CD2-C 3.47Å; Q782-S784 VanDerWaalsContact C-N 3.35Å; Q782-S784 PolarHBondContact O-N 3.3Å; Q782-S784 PolarHBondContact OE1-OG 3.02Å; Q782-N785 WeakPolarHBondContact O-CB 3.32Å; Q782-N785 PolarHBondContact O-N 3.5Å; Q782-L786 PolarHBondContact O-N 2.82Å
783	Y	81	Confident	81.2	Confident	148 Å²	148	73.3 Å²	73.3	58%	0.58	38%	0.378	S	S	*	.	H	α-helix	trans	-68.3	-31.4	179.9	-178.5	-100.4	0	0	0	113.2	Y771 N785 L786 T787	Y771-Y783 AromaticContact CD1-CD2 3.94Å; Y771-Y783 HydrophobicContact CD1-CD2 3.94Å; Y771-Y783 HydrophobicContact CE1-CD2 4.19Å; Y783-N785 VanDerWaalsContact C-N 3.29Å; Y783-N785 PolarHBondContact O-N 2.99Å; Y783-L786 HydrophobicContact CD2-CD2 4.44Å; Y783-L786 PolarHBondContact O-N 3.02Å; Y783-T787 WeakPolarHBondContact CE1-OG1 3.47Å; Y783-T787 PolarHBondContact O-N 2.8Å; Y783-T787 PolarHBondContact O-OG1 2.83Å
784	S	81.3	Confident	80.5	Confident	60 Å²	60	77.1 Å²	77.1	42%	0.42	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-40	172.7	43	0	0	0	0	112	Q782 T787 T788	Q782-S784 VanDerWaalsContact C-N 3.35Å; Q782-S784 PolarHBondContact O-N 3.3Å; Q782-S784 PolarHBondContact OE1-OG 3.02Å; S784-T787 PolarHBondContact O-N 3.49Å; S784-T788 WeakPolarHBondContact O-CG2 3.5Å; S784-T788 PolarHBondContact O-N 3.13Å; S784-T788 PolarHBondContact O-OG1 3.04Å
785	N	83.2	Confident	79.5	Confident	60 Å²	60	70 Å²	70	32%	0.321	39%	0.388	S	S	.	.	H	α-helix	trans	-68.8	-38.8	177.5	-62.8	-11.2	0	0	0	111.1	F780 N781 Q782 Y783 T788 H789	F780-N785 HydrophobicContact CB-CB 4.18Å; F780-N785 HydrophobicContact CD1-CB 3.87Å; F780-N785 HydrophobicContact CG-CB 4.28Å; N781-N785 PolarHBondContact OD1-ND2 2.89Å; Q782-N785 WeakPolarHBondContact O-CB 3.32Å; Q782-N785 PolarHBondContact O-N 3.5Å; Y783-N785 VanDerWaalsContact C-N 3.29Å; Y783-N785 PolarHBondContact O-N 2.99Å; N785-T788 WeakPolarHBondContact CA-OG1 3.35Å; N785-T788 PolarHBondContact O-OG1 3.12Å; N785-H789 WeakPolarHBondContact O-CB 3.46Å; N785-H789 PolarHBondContact O-N 3.27Å
786	L	83.8	Confident	78.5	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.073	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-42	170.8	175.3	62.9	0	0	0	111.7	C773 F780 Q782 Y783 H789 N790	C773-L786 HydrophobicContact CB-CD1 3.73Å; F780-L786 HydrophobicContact CB-CB 4.41Å; F780-L786 HydrophobicContact CD2-CB 3.98Å; F780-L786 HydrophobicContact CD2-CD1 3.86Å; F780-L786 HydrophobicContact CE2-CD1 4.01Å; F780-L786 HydrophobicContact CG-CB 4.38Å; Q782-L786 PolarHBondContact O-N 2.82Å; Y783-L786 HydrophobicContact CD2-CD2 4.44Å; Y783-L786 PolarHBondContact O-N 3.02Å; L786-H789 PolarHBondContact O-N 3.4Å; L786-N790 WeakPolarHBondContact CD1-OD1 3.47Å; L786-N790 WeakPolarHBondContact O-CB 3.24Å; L786-N790 PolarHBondContact O-N 2.77Å; L786-N790 PolarHBondContact O-ND2 3.2Å; L786-N790 PolarHBondContact O-OD1 2.91Å
787	T	80.8	Confident	76.8	Confident	52 Å²	52	77 Å²	77	32%	0.319	41%	0.412	S	S	.	.	H	α-helix	trans	-65.2	-43.4	-178.9	-53.7	0	0	0	0	111.3	Y783 S784 N790 K791	Y783-T787 WeakPolarHBondContact CE1-OG1 3.47Å; Y783-T787 PolarHBondContact O-N 2.8Å; Y783-T787 PolarHBondContact O-OG1 2.83Å; S784-T787 PolarHBondContact O-N 3.49Å; T787-N790 PolarHBondContact O-N 3.27Å; T787-K791 WeakPolarHBondContact O-CG 3.48Å; T787-K791 PolarHBondContact O-N 3.48Å
788	T	80.6	Confident	75	Confident	84 Å²	84	82.4 Å²	82.4	52%	0.515	43%	0.428	S	S	.	.	H	α-helix	trans	-66.6	-38.1	174.7	46.7	0	0	0	0	111.7	S784 N785 K791	S784-T788 WeakPolarHBondContact O-CG2 3.5Å; S784-T788 PolarHBondContact O-N 3.13Å; S784-T788 PolarHBondContact O-OG1 3.04Å; N785-T788 WeakPolarHBondContact CA-OG1 3.35Å; N785-T788 PolarHBondContact O-OG1 3.12Å; T788-K791 WeakPolarHBondContact O-CB 3.47Å; T788-K791 PolarHBondContact O-N 3.37Å
789	H	80.9	Confident	72.6	Confident	17 Å²	17	87 Å²	87	8%	0.079	44%	0.443	C	S	.	.	H	α-helix	trans	-64.5	-42.5	173.8	173.1	66.7	0	0	0	113	C776 F780 N785 L786 K791 I792 H793	C776-H789 VanDerWaalsContact SG-CE1 3.57Å; C776-H789 PolarHBondContact SG-NE2 2.89Å; F780-H789 HydrophobicContact CE1-CB 4.05Å; F780-H789 HydrophobicContact CE2-CB 3.88Å; F780-H789 AromaticContact CE2-CD2 3.41Å; F780-H789 VanDerWaalsContact CE2-CD2 3.41Å; F780-H789 WeakPolarHBondContact CE2-CD2 3.22Å; F780-H789 AromaticContact CE2-CG 3.62Å; F780-H789 HydrophobicContact CZ-CB 3.47Å; F780-H789 VanDerWaalsContact CZ-CB 3.47Å; F780-H789 AromaticContact CZ-CD2 3.51Å; F780-H789 AromaticContact CZ-CG 3.24Å; F780-H789 AromaticContact CZ-ND1 3.72Å; N785-H789 WeakPolarHBondContact O-CB 3.46Å; N785-H789 PolarHBondContact O-N 3.27Å; L786-H789 PolarHBondContact O-N 3.4Å; H789-K791 PolarHBondContact O-N 2.87Å; H789-I792 WeakPolarHBondContact O-CB 3.49Å; H789-I792 WeakPolarHBondContact O-CG1 3.2Å; H789-I792 PolarHBondContact O-N 2.72Å; H789-H793 AromaticContact CD2-NE2 3.83Å; H789-H793 AromaticContact CE1-CE1 3.95Å; H789-H793 AromaticContact CE1-NE2 3.47Å; H789-H793 PolarHBondContact CE1-NE2 3.48Å; H789-H793 AromaticContact NE2-CD2 3.91Å; H789-H793 AromaticContact NE2-CE1 3.88Å; H789-H793 AromaticContact NE2-NE2 3.03Å; H789-H793 PolarHBondContact NE2-NE2 3.26Å
790	N	80.1	Confident	70.3	Confident	54 Å²	54	94.3 Å²	94.3	29%	0.289	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-27.5	178	-70.8	-14.7	0	0	0	112.4	C773 L786 T787 I792 H793 T794	C773-N790 PolarHBondContact SG-OD1 3.21Å; C773-N790 VanDerWaalsContact SG-OD1 3.37Å; L786-N790 WeakPolarHBondContact CD1-OD1 3.47Å; L786-N790 WeakPolarHBondContact O-CB 3.24Å; L786-N790 PolarHBondContact O-N 2.77Å; L786-N790 PolarHBondContact O-ND2 3.2Å; L786-N790 PolarHBondContact O-OD1 2.91Å; T787-N790 PolarHBondContact O-N 3.27Å; N790-I792 PolarHBondContact O-N 3.2Å; N790-H793 PolarHBondContact O-N 3.27Å; N790-T794 PolarHBondContact O-N 2.84Å
791	K	79.8	Confident	67.8	Low	100 Å²	100	98 Å²	98	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-20.4	173.2	-68.1	180	177.4	-164.9	0	113.6	T787 T788 H789 T794 G795	T787-K791 WeakPolarHBondContact O-CG 3.48Å; T787-K791 PolarHBondContact O-N 3.48Å; T788-K791 WeakPolarHBondContact O-CB 3.47Å; T788-K791 PolarHBondContact O-N 3.37Å; H789-K791 PolarHBondContact O-N 2.87Å; K791-T794 PolarHBondContact O-OG1 3.21Å; K791-T794 WeakPolarHBondContact CA-OG1 3.34Å; K791-G795 PolarHBondContact O-N 2.83Å
792	I	79.3	Confident	66	Low	124 Å²	124	104.7 Å²	104.7	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-71.5	-38.1	175.3	-56	173.8	0	0	0	110	H789 N790	H789-I792 WeakPolarHBondContact O-CB 3.49Å; H789-I792 WeakPolarHBondContact O-CG1 3.2Å; H789-I792 PolarHBondContact O-N 2.72Å; N790-I792 PolarHBondContact O-N 3.2Å
793	H	77.2	Confident	64.1	Low	75 Å²	75	108.9 Å²	108.9	35%	0.347	55%	0.553	S	S	.	*	H	α-helix	trans	-73.6	-31.9	178.1	-60.3	-51.6	0	0	0	112.7	C773 E775 C776 H789 N790 G795	C773-H793 PolarHBondContact SG-NE2 3.12Å; C773-H793 VanDerWaalsContact SG-NE2 3.38Å; E775-H793 WeakPolarHBondContact OE2-CB 3.15Å; E775-H793 IonicContact OE2-CD2 3.13Å; E775-H793 PolarHBondContact OE2-CD2 3.17Å; E775-H793 IonicContact OE2-CG 3.13Å; C776-H793 PolarHBondContact SG-NE2 3Å; H789-H793 AromaticContact CD2-NE2 3.83Å; H789-H793 AromaticContact CE1-CE1 3.95Å; H789-H793 AromaticContact CE1-NE2 3.47Å; H789-H793 PolarHBondContact CE1-NE2 3.48Å; H789-H793 AromaticContact NE2-CD2 3.91Å; H789-H793 AromaticContact NE2-CE1 3.88Å; H789-H793 AromaticContact NE2-NE2 3.03Å; H789-H793 PolarHBondContact NE2-NE2 3.26Å; N790-H793 PolarHBondContact O-N 3.27Å; H793-G795 VanDerWaalsContact C-N 3.33Å
794	T	71.3	Confident	61.8	Low	85 Å²	85	107.5 Å²	107.5	52%	0.521	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	-3	179.6	61.8	0	0	0	0	114	N790 K791 E796	N790-T794 PolarHBondContact O-N 2.84Å; K791-T794 PolarHBondContact O-OG1 3.21Å; K791-T794 WeakPolarHBondContact CA-OG1 3.34Å; T794-E796 PolarHBondContact O-N 3.26Å; T794-E796 VanDerWaalsContact O-N 3.15Å
795	G	61	Low	59.4	Low	62 Å²	62	110.9 Å²	110.9	64%	0.639	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.2	13.8	177.1	0	0	0	0	0	115.3	K791 H793 K797	K791-G795 PolarHBondContact O-N 2.83Å; H793-G795 VanDerWaalsContact C-N 3.33Å; G795-K797 PolarHBondContact O-N 3.29Å; G795-K797 VanDerWaalsContact O-N 3.15Å
796	E	56.3	Low	56.9	Low	130 Å²	130	113.1 Å²	113.1	61%	0.607	59%	0.593	S	S	*	*			trans	-72.1	107.5	179.1	-73.1	-172.9	162	0	0	110.3	T794 L798	T794-E796 PolarHBondContact O-N 3.26Å; T794-E796 VanDerWaalsContact O-N 3.15Å; E796-L798 PolarHBondContact O-N 3.27Å
797	K	49.5	Very low	54.4	Low	205 Å²	205	119 Å²	119	89%	0.891	62%	0.623	S	S	*	*			trans	-56.8	136.6	168.7	-88.8	-177.4	177.2	176.7	0	110.3	G795 Y799	G795-K797 PolarHBondContact O-N 3.29Å; G795-K797 VanDerWaalsContact O-N 3.15Å; K797-Y799 PolarHBondContact O-N 2.83Å
798	L	40.7	Very low	52.1	Low	164 Å²	164	124.1 Å²	124.1	86%	0.859	65%	0.648	S	S	*	*			trans	-55	102.1	172.3	-80.6	156.7	0	0	0	111	E796 K800	E796-L798 PolarHBondContact O-N 3.27Å; L798-K800 PolarHBondContact O-N 3.4Å
799	Y	33.6	Very low	49.7	Very low	224 Å²	224	125.9 Å²	125.9	88%	0.878	66%	0.659	S	S	*	*			trans	-71.8	112.8	155.2	-131.3	-89.6	0	0	0	107.1	K797 P801	K797-Y799 PolarHBondContact O-N 2.83Å; Y799-P801 WeakPolarHBondContact O-CD 3.38Å
800	K	34.4	Very low	47.2	Very low	180 Å²	180	130.5 Å²	130.5	78%	0.783	69%	0.688	S	S	*	*			trans	-67.3	124.8	166.7	-72.4	-178.9	178.3	177.9	0	107.7	L798 E802	L798-K800 PolarHBondContact O-N 3.4Å; K800-E802 PolarHBondContact O-N 3.42Å
801	P	30.9	Very low	45	Very low	116 Å²	116	134 Å²	134	75%	0.753	71%	0.714	S	S	*	*			trans	-76.9	114.9	154.1	2.4	16.5	0	0	0	106.6	Y799	Y799-P801 WeakPolarHBondContact O-CD 3.38Å
802	E	39.8	Very low	42.6	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	73%	0.73	S	S	*	*	S	Bend	trans	-57.6	139.8	159.8	-74.8	160.7	168.1	0	0	108.6	K800	K800-E802 PolarHBondContact O-N 3.42Å
803	D	41.3	Very low	40.7	Very low	151 Å²	151	137.6 Å²	137.6	81%	0.807	74%	0.739	S	S	*	*			trans	71.7	67.5	177.8	-60.5	-22.9	0	0	0	119.5
804	V	32.3	Very low	38.4	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	76%	0.758	S	S	*	*			trans	-136.6	99.9	131.4	-174	0	0	0	0	109	V806	V804-V806 VanDerWaalsContact C-N 3.31Å; V804-V806 HydrophobicContact CG1-CG2 3.92Å; V804-V806 PolarHBondContact O-N 3.21Å
805	T	31.8	Very low	36.8	Very low	131 Å²	131	142.6 Å²	142.6	80%	0.804	77%	0.765	S	S	*	*			trans	-60.6	92.5	162.7	45.1	0	0	0	0	109.5
806	V	30.9	Very low	35.6	Very low	107 Å²	107	147 Å²	147	65%	0.648	77%	0.774	S	S	*	*			trans	-85.9	101.7	158.5	-179.9	0	0	0	0	106	V804 L808	V804-V806 VanDerWaalsContact C-N 3.31Å; V804-V806 HydrophobicContact CG1-CG2 3.92Å; V804-V806 PolarHBondContact O-N 3.21Å; V806-L808 VanDerWaalsContact C-N 3.34Å; V806-L808 HydrophobicContact CG1-CG 4.34Å; V806-L808 PolarHBondContact O-N 2.81Å
807	I	29.9	Very low	34.8	Very low	138 Å²	138	149 Å²	149	71%	0.708	79%	0.786	S	S	*	*			trans	-64.8	98.4	167	-62.6	173.6	0	0	0	106.6	T809	I807-T809 HydrophobicContact CG2-CG2 3.55Å
808	L	33.2	Very low	34.4	Very low	159 Å²	159	152.5 Å²	152.5	83%	0.832	80%	0.802	S	S	*	*			trans	-85.6	90.7	157	-77.9	167.4	0	0	0	106.4	V806 T810	V806-L808 VanDerWaalsContact C-N 3.34Å; V806-L808 HydrophobicContact CG1-CG 4.34Å; V806-L808 PolarHBondContact O-N 2.81Å; L808-T810 PolarHBondContact O-N 3.06Å
809	T	30.5	Very low	34.1	Very low	121 Å²	121	152 Å²	152	74%	0.742	80%	0.799	S	S	*	*			trans	-78	109.3	164.1	41.3	0	0	0	0	108.4	I807	I807-T809 HydrophobicContact CG2-CG2 3.55Å
810	T	28.9	Very low	34.1	Very low	113 Å²	113	148.2 Å²	148.2	69%	0.693	80%	0.795	S	S	*	*			trans	-54.7	146.8	156.8	43.8	0	0	0	0	110.5	L808 Q812	L808-T810 PolarHBondContact O-N 3.06Å; T810-Q812 PolarHBondContact O-N 3.27Å
811	P	33.6	Very low	34.1	Very low	129 Å²	129	146.4 Å²	146.4	84%	0.838	80%	0.795	S	S	*	*			trans	-73.8	107.2	170.6	28.4	-27.4	0	0	0	109
812	Q	28.9	Very low	34.3	Very low	166 Å²	166	148.2 Å²	148.2	78%	0.776	80%	0.798	S	S	*	*			trans	-78.4	122.4	163.3	-104.3	173.6	-17.4	0	0	108.6	T810	T810-Q812 PolarHBondContact O-N 3.27Å
813	T	38.5	Very low	33.9	Very low	132 Å²	132	146.1 Å²	146.1	81%	0.81	80%	0.795	S	S	*	*			trans	-60.1	125.6	161.1	44	0	0	0	0	110.8
814	F	30	Very low	33.4	Very low	171 Å²	171	145.7 Å²	145.7	75%	0.75	79%	0.794	S	S	*	*			trans	-146.6	101.2	152.9	-89.5	-85.5	0	0	0	104.8
815	S	36.6	Very low	33.5	Very low	95 Å²	95	147.6 Å²	147.6	66%	0.664	80%	0.799	S	S	*	*				48.1	112	85	73.4	0	0	0	0	113.7
816	N	36.8	Very low	33.7	Very low	155 Å²	155	148.9 Å²	148.9	83%	0.829	80%	0.798	S	S	*	*			trans	11.7	133.1	150.7	-68.2	-26.8	0	0	0	118.2
817	I	39.1	Very low	33.9	Very low	170 Å²	170	152.4 Å²	152.4	87%	0.872	81%	0.811	S	S	*	*				-164.9	125.3	117.2	-88.7	143.8	0	0	0	108.3
818	K	40.8	Very low	34.3	Very low	280 Å²	280	153.7 Å²	153.7	100%	1.217	82%	0.82	S	S	*	*			trans	16.3	0	169.5	-77.7	-178.9	175.6	178.7	0	121.1

Retrieved 818 of 818 residues in 235.8 ms (Link to these results)

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