A0A077ZLM8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 827 aa.

						>A0A077ZLM8_TRITR|A0A077ZLM8
MTKTINNSSGEFVIDSKGTYLAGKHEIEVWAVNSEYGITTEKIRTSYIKKGNTPAIAIGKDAPVSATQYSTIQVPYYFYLPDNEIGSQVAIEIKVLYNNNTEELVLTDQLCIVDDNHTSGETPLKATVPLDLNDYAPKISVVIFIGDVSATHDVIIKGAGVTLQPVSECKVYYSMKGKTNSDKGIENLESYYEGVRTSYLERSANFKLNAYNGFLDGKGMTIGAGKSVTLKDWQPFAENFGVSGSKKGRTIEIEFETGICSDENAVIVDCMDDTTGFRIYANKIEVKCSTDRVITYYPETKRIKFSLSIDGTTTHTVNNLGGGDATEKDVNLVYLCINGVCVRMFDYSNANWKQGTPKDIVIGSAMAKVILYSIRGYEKSINPYQALDNFAYDTPDVNDVYDSNGIFDHYGKINLAKRNDILNSSGNIHNPDEIISYEKVKKALPQSPIIVWNIDNLPYNKNNDNVPINGTTFENPLWNKATDGWAQAPFTVGAHMFNADGTSSNGYPLPYKNFAEIFETGNGESVNITVGLVGETENHTLYSITIGVETGEKEMVHKVNFASSEGIVNIHAMNMYQQILLACAKSNESLYTAYQKEQADLGKAVTYRKSLSGFPEIGFRRTSTSGTAAPTFLSIYNFINNKYSASFLGFPVKDYMKAQIWEIDENVNMFNQEAGDYSVVGDSLQKSVLTGIPLYYARVPKKSPTNKANKLGVAKKTTDNIDATNQELAVIKRFHNWVVSTNVLLAERYKREHGDYATLPAPVVYNGTTYEKDNPAYRRAKFTVEASTYLRLDSAIFYFNFCQWIIGMDSMDKNMSLAFDTITWNEE
					

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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	72.3	Confident	81.9	Confident	149 Å²	149	117.9 Å²	117.9	73%	0.734	66%	0.664	S	S	*	*				0	138	0	-70.8	176.6	-81.3	0	0	107.1
2	T	82.1	Confident	81.7	Confident	146 Å²	146	115.9 Å²	115.9	90%	0.896	64%	0.643	S	S	*	*			trans	-126.1	134.9	178	-49.7	0	0	0	0	108.2
3	K	84.1	Confident	81.9	Confident	101 Å²	101	114.9 Å²	114.9	44%	0.439	64%	0.642	S	S	.	*			trans	-134.5	133.4	173.3	-173.6	-178.2	-174.4	178.2	0	108.1	I5 E11 F12	K3-I5 HydrophobicContact CG-CG1 4.45Å; K3-E11 PolarHBondContact NZ-O 3.23Å; K3-F12 HydrophobicContact CB-CD1 4.05Å; K3-F12 HydrophobicContact CB-CE1 3.14Å; K3-F12 HydrophobicContact CB-CE2 4.4Å; K3-F12 HydrophobicContact CB-CZ 3.37Å; K3-F12 HydrophobicContact CD-CD1 4.39Å; K3-F12 HydrophobicContact CD-CE1 4.09Å; K3-F12 HydrophobicContact CD-CE2 4.35Å; K3-F12 HydrophobicContact CD-CZ 4.08Å; K3-F12 HydrophobicContact CG-CE1 4.25Å; K3-F12 HydrophobicContact CG-CZ 4.31Å
4	T	86.9	Confident	82	Confident	116 Å²	116	111.6 Å²	111.6	71%	0.712	62%	0.621	S	S	*	*			trans	-85.4	131.6	172.3	-53.9	0	0	0	0	108.8
5	I	83.8	Confident	82.3	Confident	72 Å²	72	105.4 Å²	105.4	37%	0.369	59%	0.586	S	S	.	*			trans	-126	128.7	178.6	-57.2	174.8	0	0	0	107.1	K3 S8 F12	K3-I5 HydrophobicContact CG-CG1 4.45Å; I5-S8 WeakPolarHBondContact CG2-O 3.47Å; I5-F12 HydrophobicContact CD1-CE2 4.37Å
6	N	81.7	Confident	82.5	Confident	127 Å²	127	104.4 Å²	104.4	68%	0.679	59%	0.589	S	S	*	*	S	Bend	trans	-120.2	119.8	176.5	-64.1	-37.1	0	0	0	108.6	S8	N6-S8 WeakPolarHBondContact O-CB 3.03Å; N6-S8 PolarHBondContact O-N 2.63Å; N6-S8 PolarHBondContact O-OG 2.83Å
7	N	77.2	Confident	82.8	Confident	185 Å²	185	108.9 Å²	108.9	99%	0.989	60%	0.601	S	S	*	*	S	Bend	trans	42.2	37.5	175.2	-65	-20	0	0	0	115.1
8	S	82.4	Confident	83	Confident	81 Å²	81	105.7 Å²	105.7	57%	0.566	60%	0.596	S	S	*	*	S	Bend	trans	-153	171.6	-173.5	50.4	0	0	0	0	111.3	I5 N6	I5-S8 WeakPolarHBondContact CG2-O 3.47Å; N6-S8 WeakPolarHBondContact O-CB 3.03Å; N6-S8 PolarHBondContact O-N 2.63Å; N6-S8 PolarHBondContact O-OG 2.83Å
9	S	83.7	Confident	83.4	Confident	121 Å²	121	105.3 Å²	105.3	85%	0.846	60%	0.596	S	S	*	*			trans	-90	146.3	166.6	53.4	0	0	0	0	110.6
10	G	82.8	Confident	83.7	Confident	26 Å²	26	104.7 Å²	104.7	27%	0.268	59%	0.585	S	S	.	*			trans	-130.9	129.4	178	0	0	0	0	0	112.1
11	E	83.6	Confident	84.1	Confident	173 Å²	173	106.4 Å²	106.4	81%	0.808	59%	0.592	S	S	*	*			trans	-90.1	145.3	171.9	-64.2	177.7	174.1	0	0	111.5	K3	K3-E11 PolarHBondContact NZ-O 3.23Å
12	F	80.1	Confident	85.1	Confident	94 Å²	94	101.1 Å²	101.1	41%	0.412	57%	0.572	S	S	.	*			trans	-120.4	126	171.6	-64.7	-101.4	0	0	0	108.6	K3 I5 I14	K3-F12 HydrophobicContact CB-CD1 4.05Å; K3-F12 HydrophobicContact CB-CE1 3.14Å; K3-F12 HydrophobicContact CB-CE2 4.4Å; K3-F12 HydrophobicContact CB-CZ 3.37Å; K3-F12 HydrophobicContact CD-CD1 4.39Å; K3-F12 HydrophobicContact CD-CE1 4.09Å; K3-F12 HydrophobicContact CD-CE2 4.35Å; K3-F12 HydrophobicContact CD-CZ 4.08Å; K3-F12 HydrophobicContact CG-CE1 4.25Å; K3-F12 HydrophobicContact CG-CZ 4.31Å; I5-F12 HydrophobicContact CD1-CE2 4.37Å; F12-I14 PolarHBondContact O-N 2.65Å
13	V	84.6	Confident	85.6	Confident	103 Å²	103	94.4 Å²	94.4	62%	0.624	53%	0.532	S	S	*	.			trans	-82.8	111.4	170.1	-177.5	0	0	0	0	107.8
14	I	83.2	Confident	86	Confident	68 Å²	68	93.6 Å²	93.6	35%	0.349	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	134.6	173.7	-62.6	157	0	0	0	108.3	F12 S16 Y20 I27 Y47	F12-I14 PolarHBondContact O-N 2.65Å; I14-S16 PolarHBondContact O-N 3.46Å; I14-Y20 HydrophobicContact CG2-CD2 4.47Å; I14-Y20 HydrophobicContact CG2-CE2 3.94Å; I14-I27 HydrophobicContact CD1-CD1 3.41Å; I14-I27 VanDerWaalsContact CD1-CD1 3.41Å; I14-I27 HydrophobicContact CD1-CG1 4.23Å; I14-Y47 HydrophobicContact CG2-CE1 3.91Å; I14-Y47 HydrophobicContact CG2-CE2 4.46Å; I14-Y47 VanDerWaalsContact CG2-OH 3.22Å; I14-Y47 WeakPolarHBondContact CG2-OH 3.41Å
15	D	86.4	Confident	86.3	Confident	19 Å²	19	90.1 Å²	90.1	10%	0.102	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	46.6	-177.5	-164.9	29.7	0	0	0	114.3	K17 G18 T19 Y20 K49	D15-K17 PolarHBondContact O-N 3.18Å; D15-G18 PolarHBondContact O-N 3.37Å; D15-G18 PolarHBondContact OD1-N 3.14Å; D15-G18 VanDerWaalsContact OD2-CA 3.26Å; D15-G18 WeakPolarHBondContact OD2-CA 3.39Å; D15-T19 WeakPolarHBondContact OD1-CA 2.71Å; D15-T19 PolarHBondContact OD1-N 3.02Å; D15-T19 PolarHBondContact OD1-OG1 3.31Å; D15-T19 PolarHBondContact OD2-N 3.44Å; D15-Y20 HydrophobicContact CB-CD1 4.19Å; D15-Y20 HydrophobicContact CB-CD2 3.7Å; D15-Y20 HydrophobicContact CB-CE1 4.46Å; D15-Y20 HydrophobicContact CB-CE2 3.98Å; D15-Y20 HydrophobicContact CB-CG 3.76Å; D15-Y20 VanDerWaalsContact CG-CG 3.49Å; D15-Y20 VanDerWaalsContact CG-N 3.3Å; D15-Y20 VanDerWaalsContact OD1-CD1 3.29Å; D15-Y20 WeakPolarHBondContact OD1-CD1 3.44Å; D15-Y20 PolarHBondContact OD1-N 2.83Å; D15-Y20 WeakPolarHBondContact OD2-CB 3.33Å; D15-Y20 PolarHBondContact OD2-N 3.26Å; D15-K49 IonicContact OD2-NZ 2.74Å; D15-K49 PolarHBondContact OD2-NZ 3.45Å
16	S	84.4	Confident	86.6	Confident	90 Å²	90	93.8 Å²	93.8	63%	0.629	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.4	179.2	60.8	0	0	0	0	114.9	I14	I14-S16 PolarHBondContact O-N 3.46Å
17	K	87.8	Confident	86.9	Confident	181 Å²	181	89.4 Å²	89.4	79%	0.787	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-2.1	175.8	-62.3	-175.1	-179.4	-178.4	0	113.6	D15 T19	D15-K17 PolarHBondContact O-N 3.18Å; K17-T19 HydrophobicContact CB-CG2 3.76Å; K17-T19 PolarHBondContact O-N 2.87Å
18	G	86.6	Confident	87.5	Confident	50 Å²	50	83.5 Å²	83.5	52%	0.515	46%	0.462	S	S	.	.	S	Bend	trans	66.1	18.1	-177.9	0	0	0	0	0	114.7	D15 K49	D15-G18 PolarHBondContact O-N 3.37Å; D15-G18 PolarHBondContact OD1-N 3.14Å; D15-G18 VanDerWaalsContact OD2-CA 3.26Å; D15-G18 WeakPolarHBondContact OD2-CA 3.39Å; G18-K49 PolarHBondContact O-NZ 2.81Å
19	T	90.3	Very high	87.8	Confident	99 Å²	99	83.1 Å²	83.1	61%	0.607	46%	0.456	S	S	*	.			trans	-82.4	-18.5	-171.5	49.2	0	0	0	0	115.4	D15 K17	D15-T19 WeakPolarHBondContact OD1-CA 2.71Å; D15-T19 PolarHBondContact OD1-N 3.02Å; D15-T19 PolarHBondContact OD1-OG1 3.31Å; D15-T19 PolarHBondContact OD2-N 3.44Å; K17-T19 HydrophobicContact CB-CG2 3.76Å; K17-T19 PolarHBondContact O-N 2.87Å
20	Y	89.9	Confident	88.1	Confident	92 Å²	92	83.4 Å²	83.4	36%	0.361	44%	0.439	S	S	.	.	S	Bend	trans	-73.2	150.6	-176.8	-63.9	4	0	0	0	110.1	I14 D15 Y47 K49	I14-Y20 HydrophobicContact CG2-CD2 4.47Å; I14-Y20 HydrophobicContact CG2-CE2 3.94Å; D15-Y20 HydrophobicContact CB-CD1 4.19Å; D15-Y20 HydrophobicContact CB-CD2 3.7Å; D15-Y20 HydrophobicContact CB-CE1 4.46Å; D15-Y20 HydrophobicContact CB-CE2 3.98Å; D15-Y20 HydrophobicContact CB-CG 3.76Å; D15-Y20 VanDerWaalsContact CG-CG 3.49Å; D15-Y20 VanDerWaalsContact CG-N 3.3Å; D15-Y20 VanDerWaalsContact OD1-CD1 3.29Å; D15-Y20 WeakPolarHBondContact OD1-CD1 3.44Å; D15-Y20 PolarHBondContact OD1-N 2.83Å; D15-Y20 WeakPolarHBondContact OD2-CB 3.33Å; D15-Y20 PolarHBondContact OD2-N 3.26Å; Y20-Y47 WeakPolarHBondContact CD2-OH 3.22Å; Y20-K49 WeakPolarHBondContact O-CD 3.25Å; Y20-K49 WeakPolarHBondContact O-CE 3.49Å; Y20-K49 PolarHBondContact O-NZ 2.99Å
21	L	92.9	Very high	88.5	Confident	142 Å²	142	84.9 Å²	84.9	74%	0.743	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-69	158.7	178.1	-64.1	174.4	0	0	0	111.4	H25 K49	L21-H25 PolarHBondContact O-NE2 2.56Å; L21-K49 WeakPolarHBondContact O-CD 3.38Å
22	A	92.5	Very high	88.9	Confident	38 Å²	38	80.6 Å²	80.6	31%	0.314	43%	0.434	S	S	.	.	S	Bend	trans	-64.9	154.5	168.6	0	0	0	0	0	111
23	G	92.9	Very high	89.4	Confident	5 Å²	5	79.5 Å²	79.5	5%	0.052	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108	-164.4	178.5	0	0	0	0	0	114.1	H25 I48 K49	G23-H25 PolarHBondContact O-CD2 2.84Å; G23-H25 VanDerWaalsContact O-CD2 3.25Å; G23-I48 WeakPolarHBondContact O-CA 3.14Å; G23-K49 PolarHBondContact N-O 3.25Å; G23-K49 PolarHBondContact O-N 3.18Å
24	K	92.3	Very high	89.5	Confident	84 Å²	84	80.1 Å²	80.1	37%	0.365	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.9	-177.9	-178.3	-159.6	164.4	-164.3	0	111	E26 Y47 A55	K24-E26 IonicContact NZ-OE1 3.22Å; K24-E26 PolarHBondContact NZ-OE1 3.42Å; K24-Y47 CarbonylContact C-O 3.58Å; K24-Y47 WeakPolarHBondContact CA-O 3.15Å; K24-A55 HydrophobicContact CB-CB 4.38Å
25	H	92.7	Very high	89.7	Confident	43 Å²	43	84.1 Å²	84.1	20%	0.199	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.7	169.3	-70.3	-85.5	0	0	0	110.7	L21 G23 S46 Y47	L21-H25 PolarHBondContact O-NE2 2.56Å; G23-H25 PolarHBondContact O-CD2 2.84Å; G23-H25 VanDerWaalsContact O-CD2 3.25Å; H25-S46 CarbonylContact O-C 3.55Å; H25-S46 WeakPolarHBondContact O-CA 3.39Å; H25-S46 VanDerWaalsContact O-CB 3.24Å; H25-S46 WeakPolarHBondContact O-CB 3.47Å; H25-Y47 HydrophobicContact CB-CD1 3.73Å; H25-Y47 HydrophobicContact CB-CE1 3.22Å; H25-Y47 HydrophobicContact CB-CE2 4.38Å; H25-Y47 AromaticContact CG-CZ 3.94Å; H25-Y47 PolarHBondContact N-O 3.18Å; H25-Y47 PolarHBondContact O-N 3.49Å
26	E	90.6	Very high	90	Very high	148 Å²	148	90.6 Å²	90.6	69%	0.692	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.8	173.8	-65.7	-177.1	175.3	0	0	110.2	K24	K24-E26 IonicContact NZ-OE1 3.22Å; K24-E26 PolarHBondContact NZ-OE1 3.42Å
27	I	88.5	Confident	90.3	Very high	36 Å²	36	89.3 Å²	89.3	19%	0.185	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.7	178.3	-53.7	156.6	0	0	0	107.6	I14 V29 R44 T45 Y47	I14-I27 HydrophobicContact CD1-CD1 3.41Å; I14-I27 VanDerWaalsContact CD1-CD1 3.41Å; I14-I27 HydrophobicContact CD1-CG1 4.23Å; I27-V29 HydrophobicContact CG2-CG2 3.74Å; I27-R44 WeakPolarHBondContact O-CA 3.45Å; I27-T45 HydrophobicContact CB-CG2 4.11Å; I27-T45 HydrophobicContact CD1-CG2 4.16Å; I27-T45 PolarHBondContact N-O 3.13Å; I27-T45 PolarHBondContact O-N 2.88Å; I27-Y47 HydrophobicContact CD1-CD1 3.24Å; I27-Y47 HydrophobicContact CD1-CE1 3.67Å; I27-Y47 HydrophobicContact CD1-CG 4.09Å; I27-Y47 HydrophobicContact CG1-CD1 3.55Å; I27-Y47 HydrophobicContact CG1-CE1 3.61Å
28	E	89.4	Confident	90.6	Very high	60 Å²	60	85.7 Å²	85.7	28%	0.28	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.1	168.4	-166.8	175.2	85.2	0	0	109	W30 K42 I43 R44	E28-W30 HydrophobicContact CB-CZ3 4.4Å; E28-W30 HydrophobicContact CG-CE3 4.17Å; E28-W30 HydrophobicContact CG-CZ3 4.29Å; E28-K42 VanDerWaalsContact CD-CD 3.45Å; E28-K42 HydrophobicContact CG-CB 3.77Å; E28-K42 HydrophobicContact CG-CD 4.26Å; E28-K42 HydrophobicContact CG-CG 4Å; E28-K42 WeakPolarHBondContact OE1-CD 3.25Å; E28-K42 WeakPolarHBondContact OE1-CE 3.16Å; E28-K42 IonicContact OE1-NZ 3.15Å; E28-K42 PolarHBondContact OE1-NZ 2.85Å; E28-K42 IonicContact OE2-NZ 3.66Å; E28-I43 CarbonylContact C-O 3.59Å; E28-I43 WeakPolarHBondContact CA-O 3.35Å; E28-R44 HydrophobicContact CB-CG 4.5Å; E28-R44 HydrophobicContact CG-CG 4.09Å; E28-R44 IonicContact OE2-CZ 2.7Å; E28-R44 IonicContact OE2-NE 3.46Å; E28-R44 PolarHBondContact OE2-NE 2.81Å; E28-R44 IonicContact OE2-NH2 2.67Å; E28-R44 PolarHBondContact OE2-NH2 3.15Å; E28-R44 VanDerWaalsContact OE2-NH2 3.15Å
29	V	88	Confident	91	Very high	73 Å²	73	87.4 Å²	87.4	44%	0.442	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.9	179.6	-172	0	0	0	0	109.4	I27 I43	I27-V29 HydrophobicContact CG2-CG2 3.74Å; V29-I43 PolarHBondContact N-O 3Å; V29-I43 PolarHBondContact O-N 2.86Å
30	W	90.6	Very high	91	Very high	128 Å²	128	86.2 Å²	86.2	49%	0.485	47%	0.465	S	S	.	.			trans	-145.5	155.6	171.9	65.5	98.6	0	0	0	109.2	E28 K42	E28-W30 HydrophobicContact CB-CZ3 4.4Å; E28-W30 HydrophobicContact CG-CE3 4.17Å; E28-W30 HydrophobicContact CG-CZ3 4.29Å; W30-K42 HydrophobicContact CB-CG 4.03Å; W30-K42 HydrophobicContact CD2-CG 4.49Å; W30-K42 HydrophobicContact CE3-CG 4.31Å; W30-K42 HydrophobicContact CG-CG 4.4Å
31	A	90.3	Very high	91	Very high	56 Å²	56	90.4 Å²	90.4	46%	0.463	49%	0.488	S	S	.	.			trans	-109.9	145.8	173.7	0	0	0	0	0	110.3	T39 T40	A31-T39 WeakPolarHBondContact O-CA 3.15Å; A31-T40 HydrophobicContact CB-CG2 3.84Å; A31-T40 PolarHBondContact N-OG1 2.86Å; A31-T40 PolarHBondContact O-N 3.32Å
32	V	92.1	Very high	90.9	Very high	84 Å²	84	89.1 Å²	89.1	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.8	173.7	-177.1	0	0	0	0	107.8	S34 I38 T39	V32-S34 PolarHBondContact O-N 2.88Å; V32-I38 CarbonylContact C-O 3.53Å; V32-I38 WeakPolarHBondContact CA-O 3.38Å; V32-T39 HydrophobicContact CG2-CG2 4.1Å
33	N	90.7	Very high	90.5	Very high	71 Å²	71	92.7 Å²	92.7	38%	0.38	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.3	165.5	-175.3	-48.2	0	0	0	107.9	E35 Y36 G37 I38	N33-E35 VanDerWaalsContact C-N 3.29Å; N33-E35 PolarHBondContact O-N 2.64Å; N33-E35 WeakPolarHBondContact OD1-CB 3.29Å; N33-E35 PolarHBondContact OD1-N 3.2Å; N33-Y36 PolarHBondContact OD1-N 3.3Å; N33-G37 WeakPolarHBondContact O-CA 3.41Å; N33-G37 PolarHBondContact O-N 2.89Å; N33-I38 HydrophobicContact CB-CB 4.35Å; N33-I38 PolarHBondContact N-O 3.22Å; N33-I38 PolarHBondContact O-N 2.99Å
34	S	86.4	Confident	90.2	Very high	116 Å²	116	100.8 Å²	100.8	81%	0.811	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.3	-177.2	52.4	0	0	0	0	114	V32	V32-S34 PolarHBondContact O-N 2.88Å
35	E	89.2	Confident	89.9	Confident	151 Å²	151	98.9 Å²	98.9	71%	0.706	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-42.2	179	-175.6	178.1	171.3	0	0	111.3	N33	N33-E35 VanDerWaalsContact C-N 3.29Å; N33-E35 PolarHBondContact O-N 2.64Å; N33-E35 WeakPolarHBondContact OD1-CB 3.29Å; N33-E35 PolarHBondContact OD1-N 3.2Å
36	Y	92.2	Very high	89.8	Confident	156 Å²	156	97.6 Å²	97.6	61%	0.612	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-3.7	-178.1	-58.8	-62.7	0	0	0	114.6	N33 I38	N33-Y36 PolarHBondContact OD1-N 3.3Å; Y36-I38 VanDerWaalsContact C-N 3.29Å; Y36-I38 PolarHBondContact O-N 3.11Å
37	G	91.3	Very high	89.7	Confident	62 Å²	62	93.1 Å²	93.1	64%	0.639	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	23	-178.4	0	0	0	0	0	114.6	N33	N33-G37 WeakPolarHBondContact O-CA 3.41Å; N33-G37 PolarHBondContact O-N 2.89Å
38	I	93.1	Very high	89.9	Confident	106 Å²	106	93.2 Å²	93.2	54%	0.544	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134	-176.6	-57.9	170.7	0	0	0	109.7	V32 N33 Y36	V32-I38 CarbonylContact C-O 3.53Å; V32-I38 WeakPolarHBondContact CA-O 3.38Å; N33-I38 HydrophobicContact CB-CB 4.35Å; N33-I38 PolarHBondContact N-O 3.22Å; N33-I38 PolarHBondContact O-N 2.99Å; Y36-I38 VanDerWaalsContact C-N 3.29Å; Y36-I38 PolarHBondContact O-N 3.11Å
39	T	94.2	Very high	90	Very high	86 Å²	86	92.8 Å²	92.8	53%	0.528	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.2	175.4	-58.9	0	0	0	0	110.2	A31 V32	A31-T39 WeakPolarHBondContact O-CA 3.15Å; V32-T39 HydrophobicContact CG2-CG2 4.1Å
40	T	91.9	Very high	90.1	Very high	74 Å²	74	95.9 Å²	95.9	45%	0.454	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-74.8	163.7	175.1	68.3	0	0	0	0	111.4	A31	A31-T40 HydrophobicContact CB-CG2 3.84Å; A31-T40 PolarHBondContact N-OG1 2.86Å; A31-T40 PolarHBondContact O-N 3.32Å
41	E	89.4	Confident	90.2	Very high	179 Å²	179	90.7 Å²	90.7	84%	0.836	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-58.6	152.1	162.5	-65	-171	168.3	0	0	111
42	K	89.6	Confident	90.2	Very high	116 Å²	116	94.8 Å²	94.8	50%	0.504	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-82.1	120.9	178.9	-75.3	163.4	163.1	-143.1	0	109.5	E28 W30	E28-K42 VanDerWaalsContact CD-CD 3.45Å; E28-K42 HydrophobicContact CG-CB 3.77Å; E28-K42 HydrophobicContact CG-CD 4.26Å; E28-K42 HydrophobicContact CG-CG 4Å; E28-K42 WeakPolarHBondContact OE1-CD 3.25Å; E28-K42 WeakPolarHBondContact OE1-CE 3.16Å; E28-K42 IonicContact OE1-NZ 3.15Å; E28-K42 PolarHBondContact OE1-NZ 2.85Å; E28-K42 IonicContact OE2-NZ 3.66Å; W30-K42 HydrophobicContact CB-CG 4.03Å; W30-K42 HydrophobicContact CD2-CG 4.49Å; W30-K42 HydrophobicContact CE3-CG 4.31Å; W30-K42 HydrophobicContact CG-CG 4.4Å
43	I	84.4	Confident	90.3	Very high	113 Å²	113	94.1 Å²	94.1	58%	0.579	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.5	171.5	-57.3	174.7	0	0	0	107.8	E28 V29	E28-I43 CarbonylContact C-O 3.59Å; E28-I43 WeakPolarHBondContact CA-O 3.35Å; V29-I43 PolarHBondContact N-O 3Å; V29-I43 PolarHBondContact O-N 2.86Å
44	R	86.6	Confident	90.6	Very high	174 Å²	174	92.9 Å²	92.9	66%	0.657	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.9	175.6	-66.6	179.7	-178.5	159.5	1.8	110.2	I27 E28	I27-R44 WeakPolarHBondContact O-CA 3.45Å; E28-R44 HydrophobicContact CB-CG 4.5Å; E28-R44 HydrophobicContact CG-CG 4.09Å; E28-R44 IonicContact OE2-CZ 2.7Å; E28-R44 IonicContact OE2-NE 3.46Å; E28-R44 PolarHBondContact OE2-NE 2.81Å; E28-R44 IonicContact OE2-NH2 2.67Å; E28-R44 PolarHBondContact OE2-NH2 3.15Å; E28-R44 VanDerWaalsContact OE2-NH2 3.15Å
45	T	86.5	Confident	91	Very high	45 Å²	45	87.7 Å²	87.7	28%	0.276	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	167.8	170.5	-172.3	0	0	0	0	109.4	I27 K60	I27-T45 HydrophobicContact CB-CG2 4.11Å; I27-T45 HydrophobicContact CD1-CG2 4.16Å; I27-T45 PolarHBondContact N-O 3.13Å; I27-T45 PolarHBondContact O-N 2.88Å; T45-K60 WeakPolarHBondContact OG1-CB 3.39Å
46	S	90.2	Very high	91.4	Very high	16 Å²	16	80.8 Å²	80.8	11%	0.112	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	160.8	168.2	69	0	0	0	0	111.7	H25 A57 I58	H25-S46 CarbonylContact O-C 3.55Å; H25-S46 WeakPolarHBondContact O-CA 3.39Å; H25-S46 VanDerWaalsContact O-CB 3.24Å; H25-S46 WeakPolarHBondContact O-CB 3.47Å; S46-A57 WeakPolarHBondContact OG-CA 3.46Å; S46-A57 WeakPolarHBondContact OG-CB 3.5Å; S46-I58 PolarHBondContact OG-N 2.92Å; S46-I58 PolarHBondContact OG-O 3.11Å
47	Y	89.7	Confident	91.5	Very high	53 Å²	53	73.5 Å²	73.5	21%	0.208	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.9	172.1	77.4	-78	0	0	0	109.6	I14 Y20 K24 H25 I27 K49	I14-Y47 HydrophobicContact CG2-CE1 3.91Å; I14-Y47 HydrophobicContact CG2-CE2 4.46Å; I14-Y47 VanDerWaalsContact CG2-OH 3.22Å; I14-Y47 WeakPolarHBondContact CG2-OH 3.41Å; Y20-Y47 WeakPolarHBondContact CD2-OH 3.22Å; K24-Y47 CarbonylContact C-O 3.58Å; K24-Y47 WeakPolarHBondContact CA-O 3.15Å; H25-Y47 HydrophobicContact CB-CD1 3.73Å; H25-Y47 HydrophobicContact CB-CE1 3.22Å; H25-Y47 HydrophobicContact CB-CE2 4.38Å; H25-Y47 AromaticContact CG-CZ 3.94Å; H25-Y47 PolarHBondContact N-O 3.18Å; H25-Y47 PolarHBondContact O-N 3.49Å; I27-Y47 HydrophobicContact CD1-CD1 3.24Å; I27-Y47 HydrophobicContact CD1-CE1 3.67Å; I27-Y47 HydrophobicContact CD1-CG 4.09Å; I27-Y47 HydrophobicContact CG1-CD1 3.55Å; I27-Y47 HydrophobicContact CG1-CE1 3.61Å; Y47-K49 HydrophobicContact CE2-CB 4.11Å
48	I	92.1	Very high	91.7	Very high	39 Å²	39	71.3 Å²	71.3	20%	0.2	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.5	176.1	-55.3	174.2	0	0	0	108.7	G23 A55 A57 Y79	G23-I48 WeakPolarHBondContact O-CA 3.14Å; I48-A55 HydrophobicContact CD1-CB 4.15Å; I48-A55 WeakPolarHBondContact CD1-O 3.44Å; I48-A55 HydrophobicContact CG1-CB 4.25Å; I48-A55 HydrophobicContact CG2-CB 3.93Å; I48-A57 HydrophobicContact CD1-CB 3.9Å; I48-A57 HydrophobicContact CG1-CB 3.56Å; I48-Y79 HydrophobicContact CG2-CD1 4.24Å; I48-Y79 HydrophobicContact CG2-CG 4.3Å
49	K	92.2	Very high	91.6	Very high	51 Å²	51	66.7 Å²	66.7	22%	0.222	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.6	166.7	-179.3	171	174.5	-179.9	0	108.7	D15 G18 Y20 L21 G23 Y47	D15-K49 IonicContact OD2-NZ 2.74Å; D15-K49 PolarHBondContact OD2-NZ 3.45Å; G18-K49 PolarHBondContact O-NZ 2.81Å; Y20-K49 WeakPolarHBondContact O-CD 3.25Å; Y20-K49 WeakPolarHBondContact O-CE 3.49Å; Y20-K49 PolarHBondContact O-NZ 2.99Å; L21-K49 WeakPolarHBondContact O-CD 3.38Å; G23-K49 PolarHBondContact N-O 3.25Å; G23-K49 PolarHBondContact O-N 3.18Å; Y47-K49 HydrophobicContact CE2-CB 4.11Å
50	K	90.2	Very high	91.3	Very high	137 Å²	137	68.6 Å²	68.6	60%	0.596	34%	0.341	S	S	*	.			trans	-54.1	139.9	178	-170.8	172.9	-177.3	166	0	111.9	Y79	K50-Y79 HydrophobicContact CG-CE1 4.46Å; K50-Y79 HydrophobicContact CG-CE2 4.08Å; K50-Y79 WeakPolarHBondContact CG-OH 3.39Å
51	G	91.3	Very high	91.2	Very high	19 Å²	19	70.4 Å²	70.4	20%	0.196	35%	0.348	C	S	.	.	S	Bend	trans	177.9	-148.6	175.3	0	0	0	0	0	111.3	Y79	G51-Y79 WeakPolarHBondContact O-CE1 3.39Å; G51-Y79 PolarHBondContact O-OH 2.95Å
52	N	91.4	Very high	91.4	Very high	143 Å²	143	62.5 Å²	62.5	77%	0.765	31%	0.313	S	S	*	.	S	Bend	trans	-99.3	15.3	179	-61.6	-8.7	0	0	0	112.8
53	T	93.9	Very high	91.6	Very high	70 Å²	70	58.6 Å²	58.6	43%	0.429	30%	0.3	S	S	.	.	S	Bend	trans	-109.8	115.5	-176.3	-53.6	0	0	0	0	109
54	P	95.7	Very high	92.1	Very high	45 Å²	45	58.1 Å²	58.1	29%	0.292	30%	0.302	S	S	.	.			trans	-65.5	140.9	173.4	30.1	-35.9	0	0	0	109.6	Y79 L80 V148	P54-Y79 CarbonylContact C-O 3.59Å; P54-Y79 VanDerWaalsContact CA-O 3.22Å; P54-Y79 WeakPolarHBondContact CA-O 3.36Å; P54-L80 HydrophobicContact CB-CD2 3.98Å; P54-V148 HydrophobicContact CB-CG2 3.62Å; P54-V148 HydrophobicContact CG-CG2 3.53Å
55	A	96.4	Very high	92.6	Very high	7 Å²	7	51.9 Å²	51.9	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	149.6	-173.4	0	0	0	0	0	111.9	K24 I48 F78 Y79	K24-A55 HydrophobicContact CB-CB 4.38Å; I48-A55 HydrophobicContact CD1-CB 4.15Å; I48-A55 WeakPolarHBondContact CD1-O 3.44Å; I48-A55 HydrophobicContact CG1-CB 4.25Å; I48-A55 HydrophobicContact CG2-CB 3.93Å; A55-F78 CarbonylContact O-C 3.52Å; A55-F78 VanDerWaalsContact O-CA 3.28Å; A55-F78 WeakPolarHBondContact O-CA 3.29Å; A55-Y79 PolarHBondContact N-O 2.9Å; A55-Y79 PolarHBondContact O-N 3.08Å
56	I	96.6	Very high	93	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.9	169.2	-59.4	166.3	0	0	0	107.6	Y76 Y77 F78 I143 I145 V148 A150	I56-Y76 HydrophobicContact CG2-CD2 4.27Å; I56-Y77 CarbonylContact C-O 3.31Å; I56-Y77 WeakPolarHBondContact CA-O 3.33Å; I56-F78 HydrophobicContact CG1-CB 4.16Å; I56-I143 HydrophobicContact CD1-CG2 4.31Å; I56-I143 HydrophobicContact CG2-CG2 4.48Å; I56-I145 HydrophobicContact CD1-CB 4.32Å; I56-I145 HydrophobicContact CD1-CD1 4Å; I56-I145 HydrophobicContact CD1-CG1 3.82Å; I56-I145 HydrophobicContact CG1-CD1 4.07Å; I56-I145 HydrophobicContact CG1-CG1 4.44Å; I56-V148 HydrophobicContact CD1-CB 4.47Å; I56-V148 HydrophobicContact CD1-CG1 3.99Å; I56-V148 HydrophobicContact CG1-CG1 3.86Å; I56-A150 HydrophobicContact CB-CB 3.78Å; I56-A150 HydrophobicContact CG2-CB 3.61Å
57	A	95.4	Very high	93.2	Very high	3 Å²	3	51 Å²	51	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.8	177.1	0	0	0	0	0	110	S46 I48 Y76 Y77	S46-A57 WeakPolarHBondContact OG-CA 3.46Å; S46-A57 WeakPolarHBondContact OG-CB 3.5Å; I48-A57 HydrophobicContact CD1-CB 3.9Å; I48-A57 HydrophobicContact CG1-CB 3.56Å; A57-Y76 CarbonylContact O-C 3.57Å; A57-Y76 VanDerWaalsContact O-CA 3.23Å; A57-Y76 WeakPolarHBondContact O-CA 3.48Å; A57-Y77 PolarHBondContact N-O 2.92Å; A57-Y77 PolarHBondContact O-N 3.04Å
58	I	94.4	Very high	93.4	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.1	174.1	-55.7	-59.5	0	0	0	108.7	S46 A62 V74 I143 A150 H152	S46-I58 PolarHBondContact OG-N 2.92Å; S46-I58 PolarHBondContact OG-O 3.11Å; I58-A62 HydrophobicContact CG2-CB 3.42Å; I58-A62 VanDerWaalsContact CG2-CB 3.42Å; I58-V74 HydrophobicContact CD1-CG1 4.05Å; I58-V74 HydrophobicContact CG2-CG1 3.96Å; I58-I143 HydrophobicContact CD1-CD1 3.91Å; I58-A150 HydrophobicContact CD1-CB 4.01Å; I58-A150 HydrophobicContact CG1-CB 4.34Å; I58-H152 HydrophobicContact CD1-CB 4.28Å; I58-H152 HydrophobicContact CG1-CB 4.27Å; I58-H152 HydrophobicContact CG2-CB 4.43Å
59	G	91.8	Very high	93.4	Very high	9 Å²	9	47.6 Å²	47.6	9%	0.093	27%	0.265	C	S	.	.			trans	-70	153.7	-179.5	0	0	0	0	0	112.5	D61 A62 P75	G59-D61 PolarHBondContact O-N 2.78Å; G59-D61 VanDerWaalsContact O-N 3.08Å; G59-A62 WeakPolarHBondContact O-CB 3.26Å; G59-A62 PolarHBondContact O-N 3.31Å; G59-A62 VanDerWaalsContact O-N 3.15Å; G59-P75 PolarHBondContact N-O 2.68Å
60	K	87.7	Confident	93.5	Very high	126 Å²	126	45.7 Å²	45.7	55%	0.548	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.2	-176.7	67.5	177.2	-177.4	60.1	0	115.4	T45 A62	T45-K60 WeakPolarHBondContact OG1-CB 3.39Å; K60-A62 VanDerWaalsContact C-N 3.28Å; K60-A62 PolarHBondContact O-N 2.98Å
61	D	89.9	Confident	93.6	Very high	112 Å²	112	40.9 Å²	40.9	60%	0.599	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	9.5	-175.3	-57.4	-49.3	0	0	0	112.5	G59 P75	G59-D61 PolarHBondContact O-N 2.78Å; G59-D61 VanDerWaalsContact O-N 3.08Å; D61-P75 HydrophobicContact CB-CG 4.26Å
62	A	93.6	Very high	93.6	Very high	14 Å²	14	40.4 Å²	40.4	12%	0.116	23%	0.233	C	C	.	.			trans	-67.1	124	175.7	0	0	0	0	0	111.4	I58 G59 K60 V64 V74 P75	I58-A62 HydrophobicContact CG2-CB 3.42Å; I58-A62 VanDerWaalsContact CG2-CB 3.42Å; G59-A62 WeakPolarHBondContact O-CB 3.26Å; G59-A62 PolarHBondContact O-N 3.31Å; G59-A62 VanDerWaalsContact O-N 3.15Å; K60-A62 VanDerWaalsContact C-N 3.28Å; K60-A62 PolarHBondContact O-N 2.98Å; A62-V64 PolarHBondContact O-N 2.92Å; A62-V74 HydrophobicContact CB-CG1 4.15Å; A62-P75 HydrophobicContact CB-CG 4.35Å
63	P	94.1	Very high	93.7	Very high	34 Å²	34	36.2 Å²	36.2	22%	0.221	21%	0.209	C	C	.	.			trans	-71.1	131.6	-177.3	26.9	-32.4	0	0	0	111	I72 Q73 H152 V154	P63-I72 HydrophobicContact CG-CB 3.82Å; P63-I72 HydrophobicContact CG-CG2 4Å; P63-Q73 VanDerWaalsContact CD-O 3.23Å; P63-Q73 WeakPolarHBondContact CD-O 3.18Å; P63-H152 PolarHBondContact O-NE2 3.14Å; P63-V154 WeakPolarHBondContact O-CG2 3.14Å
64	V	94.4	Very high	93.7	Very high	102 Å²	102	32.9 Å²	32.9	62%	0.618	19%	0.189	S	C	*	.	S	Bend	trans	-88.7	-12.8	173	-63.1	0	0	0	0	112.9	A62 I155	A62-V64 PolarHBondContact O-N 2.92Å; V64-I155 PolarHBondContact O-N 2.95Å
65	S	96.1	Very high	93.7	Very high	43 Å²	43	31.2 Å²	31.2	30%	0.301	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.3	172.1	76.4	0	0	0	0	110.7	I155 K157	S65-I155 CarbonylContact C-O 3.59Å; S65-I155 WeakPolarHBondContact CA-O 3.38Å; S65-K157 PolarHBondContact OG-NZ 2.85Å
66	A	95.7	Very high	93.6	Very high	10 Å²	10	30.9 Å²	30.9	8%	0.083	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.5	178.5	0	0	0	0	0	111.1	I72 L130 V154 I155 I156 K157	A66-I72 HydrophobicContact CB-CG2 3.38Å; A66-L130 HydrophobicContact CB-CD1 3.57Å; A66-V154 HydrophobicContact CB-CG1 3.93Å; A66-I155 PolarHBondContact N-O 3.33Å; A66-I156 HydrophobicContact CB-CD1 4.46Å; A66-I156 CarbonylContact O-C 3.53Å; A66-I156 WeakPolarHBondContact O-CA 3.47Å; A66-K157 PolarHBondContact O-N 3.44Å
67	T	95.2	Very high	93.6	Very high	33 Å²	33	34.6 Å²	34.6	20%	0.202	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.6	174.2	-51.9	0	0	0	0	109.4	S70 K157 A159 V397 I413	T67-S70 VanDerWaalsContact O-CB 3.22Å; T67-S70 WeakPolarHBondContact O-CB 3.19Å; T67-S70 PolarHBondContact O-N 2.82Å; T67-S70 VanDerWaalsContact O-N 3.12Å; T67-S70 PolarHBondContact O-OG 2.8Å; T67-K157 WeakPolarHBondContact CA-O 3.32Å; T67-A159 HydrophobicContact CG2-CB 4.26Å; T67-V397 HydrophobicContact CG2-CG2 4.22Å; T67-I413 HydrophobicContact CG2-CD1 3.56Å
68	Q	93.8	Very high	93.6	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.089	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	143.3	170.8	-172.9	179.1	28.3	0	0	111.1	S70 N133 I156 K157 A159	Q68-S70 PolarHBondContact O-N 2.68Å; Q68-N133 PolarHBondContact NE2-OD1 3.26Å; Q68-I156 HydrophobicContact CB-CG2 4.22Å; Q68-K157 PolarHBondContact N-O 2.82Å; Q68-A159 HydrophobicContact CB-CB 4.1Å
69	Y	92.4	Very high	93.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	0.3	-173.5	-44.9	-67.8	0	0	0	117.1	L130 N133 A159 V161 T162 L163 K412	Y69-L130 VanDerWaalsContact CA-O 3.3Å; Y69-L130 WeakPolarHBondContact CA-O 3.29Å; Y69-L130 PolarHBondContact N-O 2.85Å; Y69-N133 PolarHBondContact OH-OD1 3.41Å; Y69-A159 HydrophobicContact CD2-CB 3.58Å; Y69-A159 HydrophobicContact CE2-CB 3.71Å; Y69-V161 HydrophobicContact CE2-CG2 4.45Å; Y69-V161 WeakPolarHBondContact CE2-O 3.44Å; Y69-V161 PolarHBondContact OH-O 2.81Å; Y69-T162 WeakPolarHBondContact OH-CA 3.33Å; Y69-L163 HydrophobicContact CD1-CB 4.44Å; Y69-L163 HydrophobicContact CD1-CD1 4.09Å; Y69-L163 HydrophobicContact CD2-CD1 3.74Å; Y69-L163 HydrophobicContact CD2-CG 4.22Å; Y69-L163 HydrophobicContact CE1-CB 4.08Å; Y69-L163 HydrophobicContact CE1-CD1 4.44Å; Y69-L163 HydrophobicContact CE2-CB 4.45Å; Y69-L163 HydrophobicContact CE2-CD1 4.13Å; Y69-L163 HydrophobicContact CE2-CG 4.09Å; Y69-L163 HydrophobicContact CG-CD1 3.72Å; Y69-L163 HydrophobicContact CG-CG 4.49Å; Y69-L163 PolarHBondContact OH-N 3Å; Y69-K412 HydrophobicContact CG-CD 4.37Å; Y69-K412 PolarHBondContact O-NZ 2.87Å
70	S	93	Very high	93.9	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.07	18%	0.184	C	C	.	.			trans	-75.6	161.8	169.7	68.8	0	0	0	0	112	T67 Q68 L130	T67-S70 VanDerWaalsContact O-CB 3.22Å; T67-S70 WeakPolarHBondContact O-CB 3.19Å; T67-S70 PolarHBondContact O-N 2.82Å; T67-S70 VanDerWaalsContact O-N 3.12Å; T67-S70 PolarHBondContact O-OG 2.8Å; Q68-S70 PolarHBondContact O-N 2.68Å; S70-L130 VanDerWaalsContact O-CB 3.29Å; S70-L130 WeakPolarHBondContact O-CB 3.26Å; S70-L130 WeakPolarHBondContact O-CG 3.43Å; S70-L130 PolarHBondContact O-N 3.15Å
71	T	91.9	Very high	94.3	Very high	37 Å²	37	29.2 Å²	29.2	23%	0.227	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.8	168.2	-59.8	0	0	0	0	108.1	T127 V128	T71-T127 HydrophobicContact CG2-CG2 3.28Å; T71-V128 WeakPolarHBondContact CA-O 3.26Å
72	I	92.9	Very high	94.5	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	150.7	177.4	61.9	168.1	0	0	0	110.9	P63 A66 V74 T127 V128 L130 I139 V141 V154	P63-I72 HydrophobicContact CG-CB 3.82Å; P63-I72 HydrophobicContact CG-CG2 4Å; A66-I72 HydrophobicContact CB-CG2 3.38Å; I72-V74 HydrophobicContact CD1-CG2 4.28Å; I72-T127 CarbonylContact O-C 3.5Å; I72-T127 VanDerWaalsContact O-CA 3.31Å; I72-T127 WeakPolarHBondContact O-CA 3.46Å; I72-V128 HydrophobicContact CD1-CB 4.16Å; I72-V128 HydrophobicContact CG1-CB 3.68Å; I72-V128 HydrophobicContact CG1-CG2 4.31Å; I72-V128 PolarHBondContact N-O 2.99Å; I72-V128 PolarHBondContact O-N 2.83Å; I72-L130 HydrophobicContact CD1-CD2 4.45Å; I72-L130 HydrophobicContact CG2-CD1 3.95Å; I72-I139 HydrophobicContact CD1-CD1 4.25Å; I72-V141 HydrophobicContact CD1-CG2 4.21Å; I72-V154 HydrophobicContact CD1-CB 4.42Å; I72-V154 HydrophobicContact CD1-CG1 4.31Å; I72-V154 HydrophobicContact CD1-CG2 3.83Å
73	Q	93	Very high	94.5	Very high	56 Å²	56	32.5 Å²	32.5	26%	0.262	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.3	170	-70.5	178.7	-3.4	0	0	108.3	P63 P75 K125 T127 D216	P63-Q73 VanDerWaalsContact CD-O 3.23Å; P63-Q73 WeakPolarHBondContact CD-O 3.18Å; Q73-P75 VanDerWaalsContact O-CD 3.24Å; Q73-P75 WeakPolarHBondContact O-CD 3.46Å; Q73-K125 HydrophobicContact CB-CD 4.46Å; Q73-K125 HydrophobicContact CG-CD 4.44Å; Q73-T127 HydrophobicContact CG-CG2 4.08Å; Q73-D216 PolarHBondContact NE2-O 3.48Å
74	V	94.7	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	100.9	171	-180	0	0	0	0	107.1	I58 A62 I72 A126 V141 I143 H152	I58-V74 HydrophobicContact CD1-CG1 4.05Å; I58-V74 HydrophobicContact CG2-CG1 3.96Å; A62-V74 HydrophobicContact CB-CG1 4.15Å; I72-V74 HydrophobicContact CD1-CG2 4.28Å; V74-A126 HydrophobicContact CB-CB 4.28Å; V74-A126 PolarHBondContact N-O 3.27Å; V74-A126 PolarHBondContact O-N 2.7Å; V74-V141 HydrophobicContact CG2-CB 4.32Å; V74-V141 HydrophobicContact CG2-CG1 4.33Å; V74-V141 HydrophobicContact CG2-CG2 4.13Å; V74-I143 HydrophobicContact CG1-CD1 4.36Å; V74-H152 HydrophobicContact CG1-CB 4.09Å
75	P	94.5	Very high	94.5	Very high	10 Å²	10	38 Å²	38	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	141.7	175	28.6	-34.7	0	0	0	109.9	G59 D61 A62 Q73 P123 L124	G59-P75 PolarHBondContact N-O 2.68Å; D61-P75 HydrophobicContact CB-CG 4.26Å; A62-P75 HydrophobicContact CB-CG 4.35Å; Q73-P75 VanDerWaalsContact O-CD 3.24Å; Q73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-P123 HydrophobicContact CB-CB 3.91Å; P75-P123 HydrophobicContact CB-CG 4.42Å; P75-L124 CarbonylContact C-O 3.57Å; P75-L124 VanDerWaalsContact CA-O 3.28Å; P75-L124 WeakPolarHBondContact CA-O 3.22Å
76	Y	95.2	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.9	175.7	68.9	-83.6	0	0	0	111.9	I56 A57 I91 Q109 L124 A126 I143	I56-Y76 HydrophobicContact CG2-CD2 4.27Å; A57-Y76 CarbonylContact O-C 3.57Å; A57-Y76 VanDerWaalsContact O-CA 3.23Å; A57-Y76 WeakPolarHBondContact O-CA 3.48Å; Y76-I91 HydrophobicContact CE2-CG1 4.45Å; Y76-I91 HydrophobicContact CE2-CG2 4.02Å; Y76-I91 WeakPolarHBondContact OH-CG2 3.2Å; Y76-Q109 PolarHBondContact OH-OE1 3.03Å; Y76-L124 HydrophobicContact CD1-CB 4.09Å; Y76-L124 HydrophobicContact CD2-CB 4.25Å; Y76-L124 HydrophobicContact CE1-CB 3.56Å; Y76-L124 HydrophobicContact CE2-CB 3.74Å; Y76-L124 HydrophobicContact CE2-CD1 3.68Å; Y76-L124 HydrophobicContact CE2-CG 4.36Å; Y76-L124 HydrophobicContact CG-CB 4.42Å; Y76-L124 PolarHBondContact N-O 2.99Å; Y76-L124 PolarHBondContact O-N 3.25Å; Y76-L124 VanDerWaalsContact O-N 3.12Å; Y76-A126 HydrophobicContact CD1-CB 4.29Å; Y76-A126 HydrophobicContact CE1-CB 4.12Å; Y76-I143 HydrophobicContact CD1-CD1 3.6Å; Y76-I143 HydrophobicContact CD2-CD1 4.4Å; Y76-I143 HydrophobicContact CD2-CG2 4.06Å; Y76-I143 HydrophobicContact CE1-CD1 4.24Å; Y76-I143 HydrophobicContact CE2-CG2 3.97Å; Y76-I143 HydrophobicContact CG-CD1 3.68Å; Y76-I143 HydrophobicContact CG-CG2 4.4Å
77	Y	95.5	Very high	94.4	Very high	82 Å²	82	39.4 Å²	39.4	32%	0.322	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.3	173.9	-58.3	-91.5	0	0	0	108.5	I56 A57 S119 P123	I56-Y77 CarbonylContact C-O 3.31Å; I56-Y77 WeakPolarHBondContact CA-O 3.33Å; A57-Y77 PolarHBondContact N-O 2.92Å; A57-Y77 PolarHBondContact O-N 3.04Å; Y77-S119 WeakPolarHBondContact CA-OG 3.16Å; Y77-P123 HydrophobicContact CE1-CB 3.84Å; Y77-P123 HydrophobicContact CE1-CG 4.48Å; Y77-P123 HydrophobicContact CE2-CB 3.84Å; Y77-P123 VanDerWaalsContact CZ-CB 3.45Å; Y77-P123 WeakPolarHBondContact OH-CB 3.44Å; Y77-P123 VanDerWaalsContact OH-CD 3.27Å; Y77-P123 WeakPolarHBondContact OH-CD 3.19Å; Y77-P123 WeakPolarHBondContact OH-CG 3.41Å
78	F	96.4	Very high	94.4	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.7	170.5	63.8	-110.2	0	0	0	111.6	A55 I56 L80 V89 C111 V113 T118 S119 L124 I145	A55-F78 CarbonylContact O-C 3.52Å; A55-F78 VanDerWaalsContact O-CA 3.28Å; A55-F78 WeakPolarHBondContact O-CA 3.29Å; I56-F78 HydrophobicContact CG1-CB 4.16Å; F78-L80 HydrophobicContact CD2-CB 4.49Å; F78-L80 HydrophobicContact CD2-CD1 3.62Å; F78-L80 HydrophobicContact CD2-CG 3.63Å; F78-L80 HydrophobicContact CE2-CD1 3.68Å; F78-L80 HydrophobicContact CE2-CG 4.13Å; F78-L80 HydrophobicContact CG-CD1 4.29Å; F78-L80 HydrophobicContact CG-CG 4.33Å; F78-L80 HydrophobicContact CZ-CD1 4.39Å; F78-V89 HydrophobicContact CE1-CG2 4.12Å; F78-V89 HydrophobicContact CE2-CG2 4.48Å; F78-V89 HydrophobicContact CZ-CG2 3.75Å; F78-C111 HydrophobicContact CE1-CB 4.04Å; F78-C111 HydrophobicContact CZ-CB 4.19Å; F78-V113 HydrophobicContact CE2-CG2 4.3Å; F78-T118 VanDerWaalsContact CE2-C 3.45Å; F78-T118 WeakPolarHBondContact O-CA 3.39Å; F78-T118 VanDerWaalsContact O-CB 3.31Å; F78-T118 WeakPolarHBondContact O-CB 3.3Å; F78-S119 VanDerWaalsContact CE1-CB 3.49Å; F78-S119 PolarHBondContact N-OG 2.87Å; F78-S119 PolarHBondContact O-N 3.31Å; F78-L124 HydrophobicContact CD1-CD1 4.2Å; F78-L124 HydrophobicContact CE1-CD1 3.78Å; F78-I145 HydrophobicContact CB-CD1 3.55Å; F78-I145 HydrophobicContact CD1-CD1 3.25Å; F78-I145 HydrophobicContact CD2-CD1 4.46Å; F78-I145 HydrophobicContact CE1-CD1 4.01Å; F78-I145 HydrophobicContact CG-CD1 3.52Å
79	Y	96.4	Very high	94.5	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.071	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.2	165.9	172.7	-108.7	0	0	0	107.9	I48 K50 G51 P54 A55 P81 H117 T118	I48-Y79 HydrophobicContact CG2-CD1 4.24Å; I48-Y79 HydrophobicContact CG2-CG 4.3Å; K50-Y79 HydrophobicContact CG-CE1 4.46Å; K50-Y79 HydrophobicContact CG-CE2 4.08Å; K50-Y79 WeakPolarHBondContact CG-OH 3.39Å; G51-Y79 WeakPolarHBondContact O-CE1 3.39Å; G51-Y79 PolarHBondContact O-OH 2.95Å; P54-Y79 CarbonylContact C-O 3.59Å; P54-Y79 VanDerWaalsContact CA-O 3.22Å; P54-Y79 WeakPolarHBondContact CA-O 3.36Å; A55-Y79 PolarHBondContact N-O 2.9Å; A55-Y79 PolarHBondContact O-N 3.08Å; Y79-P81 HydrophobicContact CD1-CG 4.37Å; Y79-P81 HydrophobicContact CE1-CB 3.75Å; Y79-P81 HydrophobicContact CE1-CG 3.8Å; Y79-H117 CarbonylContact C-O 3.51Å; Y79-H117 VanDerWaalsContact CA-O 3.32Å; Y79-H117 WeakPolarHBondContact CA-O 3.49Å; Y79-H117 HydrophobicContact CD2-CB 4.13Å; Y79-H117 HydrophobicContact CE2-CB 3.91Å; Y79-T118 HydrophobicContact CD2-CG2 4.17Å
80	L	96.5	Very high	94.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.251	C	S	.	.			trans	-129.8	79.4	-172.7	-63.1	175	0	0	0	109.5	P54 F78 D82 N83 V89 V113 H117 I145	P54-L80 HydrophobicContact CB-CD2 3.98Å; F78-L80 HydrophobicContact CD2-CB 4.49Å; F78-L80 HydrophobicContact CD2-CD1 3.62Å; F78-L80 HydrophobicContact CD2-CG 3.63Å; F78-L80 HydrophobicContact CE2-CD1 3.68Å; F78-L80 HydrophobicContact CE2-CG 4.13Å; F78-L80 HydrophobicContact CG-CD1 4.29Å; F78-L80 HydrophobicContact CG-CG 4.33Å; F78-L80 HydrophobicContact CZ-CD1 4.39Å; L80-D82 PolarHBondContact O-N 2.66Å; L80-D82 VanDerWaalsContact O-N 3.11Å; L80-N83 HydrophobicContact CB-CB 3.88Å; L80-N83 PolarHBondContact O-N 2.83Å; L80-N83 VanDerWaalsContact O-N 3.13Å; L80-V89 HydrophobicContact CD1-CG1 4.06Å; L80-V89 HydrophobicContact CD1-CG2 4.41Å; L80-V113 HydrophobicContact CD1-CG2 4.49Å; L80-H117 PolarHBondContact N-O 3.47Å; L80-H117 WeakPolarHBondContact O-CB 3.16Å; L80-H117 PolarHBondContact O-ND1 2.82Å; L80-I145 HydrophobicContact CD1-CG2 3.82Å; L80-I145 HydrophobicContact CD2-CG2 4.28Å
81	P	95	Very high	94.9	Very high	19 Å²	19	45.2 Å²	45.2	12%	0.123	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.6	-169.8	21.2	-31.3	0	0	0	114.2	Y79 H117	Y79-P81 HydrophobicContact CD1-CG 4.37Å; Y79-P81 HydrophobicContact CE1-CB 3.75Å; Y79-P81 HydrophobicContact CE1-CG 3.8Å; P81-H117 PolarHBondContact O-ND1 3.2Å
82	D	94	Very high	95.2	Very high	135 Å²	135	46.7 Å²	46.7	72%	0.722	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-8.4	-175.2	-57.1	-41.5	0	0	0	113.1	L80	L80-D82 PolarHBondContact O-N 2.66Å; L80-D82 VanDerWaalsContact O-N 3.11Å
83	N	93.3	Very high	95.3	Very high	59 Å²	59	46.4 Å²	46.4	32%	0.316	25%	0.251	S	S	.	.	S	Bend	trans	-82	139	178.3	-75.3	70.5	0	0	0	111	L80 I85 V113 H117	L80-N83 HydrophobicContact CB-CB 3.88Å; L80-N83 PolarHBondContact O-N 2.83Å; L80-N83 VanDerWaalsContact O-N 3.13Å; N83-I85 PolarHBondContact O-N 2.74Å; N83-V113 HydrophobicContact CB-CG2 4.27Å; N83-H117 PolarHBondContact O-CE1 3.32Å; N83-H117 VanDerWaalsContact O-CE1 3.26Å; N83-H117 PolarHBondContact O-ND1 2.87Å
84	E	94.1	Very high	95.5	Very high	157 Å²	157	45.4 Å²	45.4	73%	0.734	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-64.2	133.2	177.1	-65.5	-177.3	173.6	0	0	111.2	G86 S87	E84-G86 PolarHBondContact O-N 2.59Å; E84-S87 WeakPolarHBondContact O-CB 3.44Å; E84-S87 PolarHBondContact O-N 3.15Å; E84-S87 PolarHBondContact O-OG 3.32Å
85	I	94.7	Very high	95.6	Very high	95 Å²	95	45.4 Å²	45.4	49%	0.487	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	133.5	171.3	-64.9	170.2	0	0	0	109	N83 S87 D115	N83-I85 PolarHBondContact O-N 2.74Å; I85-S87 VanDerWaalsContact C-N 3.26Å; I85-S87 PolarHBondContact O-N 3.42Å; I85-D115 WeakPolarHBondContact CD1-O 3.4Å
86	G	94.7	Very high	95.7	Very high	49 Å²	49	46.8 Å²	46.8	51%	0.505	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-5.4	-176.8	0	0	0	0	0	114.8	E84 V113	E84-G86 PolarHBondContact O-N 2.59Å; G86-V113 PolarHBondContact N-O 2.88Å
87	S	95.8	Very high	95.7	Very high	33 Å²	33	47.8 Å²	47.8	23%	0.231	26%	0.256	C	S	.	.			trans	-69.6	146.8	170.9	67.6	0	0	0	0	111.2	E84 I85 I112 V113	E84-S87 WeakPolarHBondContact O-CB 3.44Å; E84-S87 PolarHBondContact O-N 3.15Å; E84-S87 PolarHBondContact O-OG 3.32Å; I85-S87 VanDerWaalsContact C-N 3.26Å; I85-S87 PolarHBondContact O-N 3.42Å; S87-I112 WeakPolarHBondContact O-CA 3.32Å; S87-V113 PolarHBondContact O-N 3.37Å
88	Q	95	Very high	95.6	Very high	124 Å²	124	46.2 Å²	46.2	58%	0.579	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.2	172.9	-173.1	173.3	73.3	0	0	109.8	L110 C111 I112	Q88-L110 HydrophobicContact CG-CB 4.24Å; Q88-L110 HydrophobicContact CG-CD2 4.41Å; Q88-C111 CarbonylContact C-O 3.01Å; Q88-C111 WeakPolarHBondContact CA-O 3.43Å; Q88-I112 HydrophobicContact CB-CD1 3.64Å; Q88-I112 HydrophobicContact CG-CD1 4.01Å
89	V	96.1	Very high	95.2	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.8	173.5	-65	0	0	0	0	110.1	F78 L80 I91 L110 C111 V113 I145	F78-V89 HydrophobicContact CE1-CG2 4.12Å; F78-V89 HydrophobicContact CE2-CG2 4.48Å; F78-V89 HydrophobicContact CZ-CG2 3.75Å; L80-V89 HydrophobicContact CD1-CG1 4.06Å; L80-V89 HydrophobicContact CD1-CG2 4.41Å; V89-I91 HydrophobicContact CG2-CD1 4.28Å; V89-L110 WeakPolarHBondContact O-CA 3.35Å; V89-C111 HydrophobicContact CG2-CB 4.2Å; V89-C111 WeakPolarHBondContact CG2-O 3.44Å; V89-C111 PolarHBondContact N-O 2.76Å; V89-C111 PolarHBondContact O-N 2.81Å; V89-V113 HydrophobicContact CG1-CG2 3.75Å; V89-V113 HydrophobicContact CG2-CG2 4.21Å; V89-I145 HydrophobicContact CB-CG2 4.35Å
90	A	96.3	Very high	94.9	Very high	51 Å²	51	56.9 Å²	56.9	42%	0.421	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135.1	169.5	0	0	0	0	0	109.3	Q109 L110	A90-Q109 CarbonylContact C-O 3.55Å; A90-Q109 WeakPolarHBondContact CA-O 3.43Å; A90-L110 HydrophobicContact CB-CD2 4.19Å
91	I	97.1	Very high	94.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.2	175.9	-53.4	89.2	0	0	0	107.3	Y76 V89 I93 D108 Q109 C111 L124 I143 F144 I145	Y76-I91 HydrophobicContact CE2-CG1 4.45Å; Y76-I91 HydrophobicContact CE2-CG2 4.02Å; Y76-I91 WeakPolarHBondContact OH-CG2 3.2Å; V89-I91 HydrophobicContact CG2-CD1 4.28Å; I91-I93 HydrophobicContact CG2-CG1 4.32Å; I91-D108 CarbonylContact O-C 3.41Å; I91-D108 VanDerWaalsContact O-CA 3.3Å; I91-D108 WeakPolarHBondContact O-CA 3.43Å; I91-Q109 HydrophobicContact CB-CB 4.26Å; I91-Q109 HydrophobicContact CD1-CB 4.26Å; I91-Q109 WeakPolarHBondContact CD1-O 3.44Å; I91-Q109 PolarHBondContact N-O 2.97Å; I91-Q109 PolarHBondContact O-N 2.82Å; I91-C111 HydrophobicContact CD1-CB 3.67Å; I91-L124 HydrophobicContact CD1-CD1 4.37Å; I91-I143 HydrophobicContact CG2-CG2 3.49Å; I91-I143 VanDerWaalsContact CG2-CG2 3.49Å; I91-F144 WeakPolarHBondContact CA-O 3.24Å; I91-I145 HydrophobicContact CB-CG1 4.38Å; I91-I145 HydrophobicContact CG1-CD1 3.99Å; I91-I145 HydrophobicContact CG1-CG1 3.91Å; I91-I145 HydrophobicContact CG2-CG1 4.05Å
92	E	97.3	Very high	94.8	Very high	68 Å²	68	65 Å²	65	32%	0.318	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.7	175.8	175.6	-178.1	-156.2	0	0	108.7	K94 F144	E92-K94 HydrophobicContact CG-CG 4.43Å; E92-K94 WeakPolarHBondContact OE1-CE 3.4Å; E92-K94 IonicContact OE1-NZ 2.83Å; E92-K94 PolarHBondContact OE1-NZ 3.04Å; E92-K94 IonicContact OE2-NZ 3.78Å; E92-F144 HydrophobicContact CB-CB 4.17Å; E92-F144 PolarHBondContact N-O 2.92Å; E92-F144 PolarHBondContact O-N 2.8Å
93	I	96.3	Very high	94.9	Very high	3 Å²	3	64 Å²	64	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.1	-178.9	-57.1	163.6	0	0	0	108.1	I91 L106 Q109 A126 V141 V142	I91-I93 HydrophobicContact CG2-CG1 4.32Å; I93-L106 HydrophobicContact CB-CB 4.29Å; I93-L106 HydrophobicContact CG2-CB 4.48Å; I93-L106 HydrophobicContact CG2-CD1 3.87Å; I93-L106 HydrophobicContact CG2-CG 4.44Å; I93-L106 PolarHBondContact O-N 3.12Å; I93-Q109 HydrophobicContact CD1-CG 4.07Å; I93-A126 HydrophobicContact CD1-CB 3.71Å; I93-A126 HydrophobicContact CG1-CB 4.24Å; I93-A126 HydrophobicContact CG2-CB 3.98Å; I93-V141 HydrophobicContact CG2-CG1 4.17Å; I93-V142 WeakPolarHBondContact CA-O 3.13Å
94	K	96.5	Very high	94.9	Very high	35 Å²	35	64.2 Å²	64.2	15%	0.152	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.6	176.3	-61.3	-175.3	-178.1	166.7	0	111.1	E92 L104 V105 V142 F144	E92-K94 HydrophobicContact CG-CG 4.43Å; E92-K94 WeakPolarHBondContact OE1-CE 3.4Å; E92-K94 IonicContact OE1-NZ 2.83Å; E92-K94 PolarHBondContact OE1-NZ 3.04Å; E92-K94 IonicContact OE2-NZ 3.78Å; K94-L104 CarbonylContact C-O 3.55Å; K94-L104 WeakPolarHBondContact CA-O 3.19Å; K94-V105 HydrophobicContact CD-CG2 4.21Å; K94-V105 HydrophobicContact CG-CG1 4.47Å; K94-V105 HydrophobicContact CG-CG2 4.15Å; K94-V142 PolarHBondContact N-O 2.9Å; K94-V142 PolarHBondContact O-N 3.09Å; K94-F144 HydrophobicContact CB-CE2 4.45Å; K94-F144 HydrophobicContact CD-CE2 4.02Å; K94-F144 HydrophobicContact CG-CE2 4.27Å
95	V	96.9	Very high	94.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.8	170.7	-176	0	0	0	0	107.7	E103 L104 L106 V128 Y135 I139	V95-E103 CarbonylContact O-C 3.49Å; V95-E103 WeakPolarHBondContact O-CA 3.31Å; V95-L104 HydrophobicContact CB-CB 4.39Å; V95-L104 PolarHBondContact N-O 3.41Å; V95-L104 PolarHBondContact O-N 3.22Å; V95-L106 HydrophobicContact CG2-CD1 4.02Å; V95-L106 HydrophobicContact CG2-CD2 4.48Å; V95-L106 HydrophobicContact CG2-CG 4.24Å; V95-V128 HydrophobicContact CG2-CB 4.49Å; V95-V128 HydrophobicContact CG2-CG1 3.45Å; V95-V128 VanDerWaalsContact CG2-CG1 3.45Å; V95-V128 HydrophobicContact CG2-CG2 4.23Å; V95-Y135 HydrophobicContact CG1-CE1 4.21Å; V95-I139 HydrophobicContact CG1-CB 3.94Å; V95-I139 HydrophobicContact CG1-CD1 3.82Å; V95-I139 HydrophobicContact CG1-CG1 4.45Å; V95-I139 HydrophobicContact CG1-CG2 4.18Å
96	L	97.3	Very high	94.8	Very high	38 Å²	38	57.2 Å²	57.2	20%	0.199	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.5	171.9	-51.9	-179.5	0	0	0	109.3	N100 E102 E103 I139 S140 V142	L96-N100 HydrophobicContact CB-CB 4.15Å; L96-N100 HydrophobicContact CD1-CB 4.25Å; L96-E102 WeakPolarHBondContact CA-O 3.33Å; L96-E103 HydrophobicContact CD2-CB 3.69Å; L96-I139 CarbonylContact O-C 3.56Å; L96-I139 VanDerWaalsContact O-CA 3.29Å; L96-I139 WeakPolarHBondContact O-CA 3.44Å; L96-S140 PolarHBondContact N-O 2.84Å; L96-S140 PolarHBondContact O-N 2.94Å; L96-V142 HydrophobicContact CD1-CG2 3.72Å; L96-V142 HydrophobicContact CG-CG2 3.89Å
97	Y	95.3	Very high	94.6	Very high	22 Å²	22	58.3 Å²	58.3	9%	0.086	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	179.9	179.9	65.1	-81.2	0	0	0	111	N99 N100 T101 E102 L104 D134 Y135	Y97-N99 PolarHBondContact O-N 3.44Å; Y97-N100 WeakPolarHBondContact O-CA 3.46Å; Y97-N100 PolarHBondContact O-N 3.48Å; Y97-T101 PolarHBondContact O-N 3.41Å; Y97-T101 VanDerWaalsContact O-N 3.14Å; Y97-E102 HydrophobicContact CD1-CB 4.15Å; Y97-E102 HydrophobicContact CD2-CB 4.04Å; Y97-E102 HydrophobicContact CE1-CB 3.7Å; Y97-E102 HydrophobicContact CE2-CB 3.56Å; Y97-E102 HydrophobicContact CE2-CG 4.21Å; Y97-E102 WeakPolarHBondContact CE2-OE2 3.32Å; Y97-E102 HydrophobicContact CG-CB 4.3Å; Y97-E102 PolarHBondContact N-O 3.46Å; Y97-E102 PolarHBondContact O-N 2.86Å; Y97-E102 PolarHBondContact OH-OE2 3.25Å; Y97-L104 HydrophobicContact CE1-CB 4.36Å; Y97-D134 HydrophobicContact CD2-CB 4.06Å; Y97-D134 HydrophobicContact CE2-CB 4.04Å; Y97-Y135 HydrophobicContact CD1-CD1 4.07Å; Y97-Y135 AromaticContact CD1-CE1 3.67Å; Y97-Y135 HydrophobicContact CD1-CE1 3.67Å; Y97-Y135 HydrophobicContact CD2-CD1 4.05Å; Y97-Y135 HydrophobicContact CD2-CE1 4.3Å; Y97-Y135 HydrophobicContact CE1-CE1 4.09Å; Y97-Y135 AromaticContact CG-CD1 3.69Å; Y97-Y135 HydrophobicContact CG-CD1 3.69Å; Y97-Y135 AromaticContact CG-CE1 3.8Å; Y97-Y135 HydrophobicContact CG-CE1 3.8Å
98	N	93.1	Very high	94.6	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.262	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	56.3	-171.7	-76	-20.6	0	0	0	112.7	N100 T101 E102 D134	N98-N100 PolarHBondContact O-N 2.61Å; N98-T101 WeakPolarHBondContact O-CB 3.3Å; N98-T101 WeakPolarHBondContact O-CG2 3.46Å; N98-T101 PolarHBondContact O-N 3.04Å; N98-T101 PolarHBondContact O-OG1 2.86Å; N98-E102 HydrophobicContact CB-CG 4.43Å; N98-E102 PolarHBondContact ND2-OE1 3.26Å; N98-D134 PolarHBondContact OD1-O 2.87Å
99	N	88.5	Confident	94.6	Very high	150 Å²	150	53 Å²	53	80%	0.802	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	37.2	-173.5	-60.4	-38.7	0	0	0	113.5	Y97 T101	Y97-N99 PolarHBondContact O-N 3.44Å; N99-T101 VanDerWaalsContact C-N 3.25Å; N99-T101 PolarHBondContact O-N 2.7Å
100	N	90.1	Very high	94.5	Very high	92 Å²	92	54.9 Å²	54.9	49%	0.492	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	24	-178.5	-53.1	-20.3	0	0	0	114.5	L96 Y97 N98	L96-N100 HydrophobicContact CB-CB 4.15Å; L96-N100 HydrophobicContact CD1-CB 4.25Å; Y97-N100 WeakPolarHBondContact O-CA 3.46Å; Y97-N100 PolarHBondContact O-N 3.48Å; N98-N100 PolarHBondContact O-N 2.61Å
101	T	93.5	Very high	94.4	Very high	115 Å²	115	53.1 Å²	53.1	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-19.4	176	61	0	0	0	0	113	Y97 N98 N99	Y97-T101 PolarHBondContact O-N 3.41Å; Y97-T101 VanDerWaalsContact O-N 3.14Å; N98-T101 WeakPolarHBondContact O-CB 3.3Å; N98-T101 WeakPolarHBondContact O-CG2 3.46Å; N98-T101 PolarHBondContact O-N 3.04Å; N98-T101 PolarHBondContact O-OG1 2.86Å; N99-T101 VanDerWaalsContact C-N 3.25Å; N99-T101 PolarHBondContact O-N 2.7Å
102	E	95.8	Very high	94.3	Very high	78 Å²	78	57.5 Å²	57.5	36%	0.364	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.4	175.3	-67.4	-176.3	-141.5	0	0	110.7	L96 Y97 N98	L96-E102 WeakPolarHBondContact CA-O 3.33Å; Y97-E102 HydrophobicContact CD1-CB 4.15Å; Y97-E102 HydrophobicContact CD2-CB 4.04Å; Y97-E102 HydrophobicContact CE1-CB 3.7Å; Y97-E102 HydrophobicContact CE2-CB 3.56Å; Y97-E102 HydrophobicContact CE2-CG 4.21Å; Y97-E102 WeakPolarHBondContact CE2-OE2 3.32Å; Y97-E102 HydrophobicContact CG-CB 4.3Å; Y97-E102 PolarHBondContact N-O 3.46Å; Y97-E102 PolarHBondContact O-N 2.86Å; Y97-E102 PolarHBondContact OH-OE2 3.25Å; N98-E102 HydrophobicContact CB-CG 4.43Å; N98-E102 PolarHBondContact ND2-OE1 3.26Å
103	E	94.8	Very high	94.2	Very high	115 Å²	115	54.3 Å²	54.3	54%	0.537	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.2	178.5	67	174.6	-152.9	0	0	111.8	V95 L96	V95-E103 CarbonylContact O-C 3.49Å; V95-E103 WeakPolarHBondContact O-CA 3.31Å; L96-E103 HydrophobicContact CD2-CB 3.69Å
104	L	94.3	Very high	94.2	Very high	64 Å²	64	55.8 Å²	55.8	34%	0.335	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.1	166.1	177.5	68.3	0	0	0	108.7	K94 V95 Y97 L106 Y135	K94-L104 CarbonylContact C-O 3.55Å; K94-L104 WeakPolarHBondContact CA-O 3.19Å; V95-L104 HydrophobicContact CB-CB 4.39Å; V95-L104 PolarHBondContact N-O 3.41Å; V95-L104 PolarHBondContact O-N 3.22Å; Y97-L104 HydrophobicContact CE1-CB 4.36Å; L104-L106 HydrophobicContact CD2-CD2 3.87Å; L104-L106 HydrophobicContact CG-CD2 4.09Å; L104-Y135 WeakPolarHBondContact CD2-OH 3.28Å
105	V	93.6	Very high	94	Very high	72 Å²	72	59.6 Å²	59.6	44%	0.436	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.5	173	-171.5	0	0	0	0	109	K94	K94-V105 HydrophobicContact CD-CG2 4.21Å; K94-V105 HydrophobicContact CG-CG1 4.47Å; K94-V105 HydrophobicContact CG-CG2 4.15Å
106	L	92.3	Very high	93.8	Very high	32 Å²	32	63.6 Å²	63.6	17%	0.168	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-88.5	168.2	174.6	-55.9	-175.4	0	0	0	110.3	I93 V95 L104 D108 V128	I93-L106 HydrophobicContact CB-CB 4.29Å; I93-L106 HydrophobicContact CG2-CB 4.48Å; I93-L106 HydrophobicContact CG2-CD1 3.87Å; I93-L106 HydrophobicContact CG2-CG 4.44Å; I93-L106 PolarHBondContact O-N 3.12Å; V95-L106 HydrophobicContact CG2-CD1 4.02Å; V95-L106 HydrophobicContact CG2-CD2 4.48Å; V95-L106 HydrophobicContact CG2-CG 4.24Å; L104-L106 HydrophobicContact CD2-CD2 3.87Å; L104-L106 HydrophobicContact CG-CD2 4.09Å; L106-D108 PolarHBondContact O-N 2.83Å; L106-V128 HydrophobicContact CD1-CB 4.38Å; L106-V128 HydrophobicContact CD1-CG1 4.35Å; L106-V128 HydrophobicContact CD1-CG2 3.84Å
107	T	91.1	Very high	93.7	Very high	73 Å²	73	64 Å²	64	45%	0.448	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-61.3	128.3	175	-53.6	0	0	0	0	110.3	D182 K183	T107-D182 HydrophobicContact CG2-CB 4.14Å; T107-K183 HydrophobicContact CG2-CB 4.24Å; T107-K183 WeakPolarHBondContact CG2-O 3.35Å
108	D	94.3	Very high	93.7	Very high	40 Å²	40	64.7 Å²	64.7	21%	0.214	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-51.5	144.6	174.2	-57.6	-20.5	0	0	0	111.1	I91 L106 D182 K183	I91-D108 CarbonylContact O-C 3.41Å; I91-D108 VanDerWaalsContact O-CA 3.3Å; I91-D108 WeakPolarHBondContact O-CA 3.43Å; L106-D108 PolarHBondContact O-N 2.83Å; D108-D182 CarbonylContact O-C 3.55Å; D108-K183 HydrophobicContact CB-CB 4.12Å; D108-K183 HydrophobicContact CB-CD 3.99Å; D108-K183 VanDerWaalsContact O-CB 3.29Å; D108-K183 WeakPolarHBondContact O-CB 3.42Å; D108-K183 PolarHBondContact O-N 2.81Å; D108-K183 IonicContact OD2-NZ 3.84Å; D108-K183 PolarHBondContact OD2-NZ 3.27Å
109	Q	95.6	Very high	93.7	Very high	4 Å²	4	63 Å²	63	2%	0.019	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.8	164.2	-67.4	-176.3	-12.3	0	0	110.5	Y76 A90 I91 I93 K125 T179 S181 D182	Y76-Q109 PolarHBondContact OH-OE1 3.03Å; A90-Q109 CarbonylContact C-O 3.55Å; A90-Q109 WeakPolarHBondContact CA-O 3.43Å; I91-Q109 HydrophobicContact CB-CB 4.26Å; I91-Q109 HydrophobicContact CD1-CB 4.26Å; I91-Q109 WeakPolarHBondContact CD1-O 3.44Å; I91-Q109 PolarHBondContact N-O 2.97Å; I91-Q109 PolarHBondContact O-N 2.82Å; I93-Q109 HydrophobicContact CD1-CG 4.07Å; Q109-K125 PolarHBondContact NE2-O 2.67Å; Q109-T179 PolarHBondContact NE2-OG1 3.16Å; Q109-S181 CarbonylContact C-O 3.58Å; Q109-S181 WeakPolarHBondContact CA-O 3.39Å; Q109-D182 PolarHBondContact NE2-OD1 2.73Å
110	L	94.7	Very high	93.9	Very high	52 Å²	52	56.8 Å²	56.8	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	132.1	173.5	-60.3	177.1	0	0	0	109.3	Q88 V89 A90 S181 K183	Q88-L110 HydrophobicContact CG-CB 4.24Å; Q88-L110 HydrophobicContact CG-CD2 4.41Å; V89-L110 WeakPolarHBondContact O-CA 3.35Å; A90-L110 HydrophobicContact CB-CD2 4.19Å; L110-S181 PolarHBondContact N-O 3.46Å; L110-K183 HydrophobicContact CD1-CB 4.39Å; L110-K183 HydrophobicContact CD1-CG 4.31Å; L110-K183 HydrophobicContact CG-CB 4.3Å
111	C	94.7	Very high	93.7	Very high	14 Å²	14	61.3 Å²	61.3	10%	0.095	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.8	176.9	-173.7	0	0	0	0	110.2	F78 Q88 V89 I91 L124	F78-C111 HydrophobicContact CE1-CB 4.04Å; F78-C111 HydrophobicContact CZ-CB 4.19Å; Q88-C111 CarbonylContact C-O 3.01Å; Q88-C111 WeakPolarHBondContact CA-O 3.43Å; V89-C111 HydrophobicContact CG2-CB 4.2Å; V89-C111 WeakPolarHBondContact CG2-O 3.44Å; V89-C111 PolarHBondContact N-O 2.76Å; V89-C111 PolarHBondContact O-N 2.81Å; I91-C111 HydrophobicContact CD1-CB 3.67Å; C111-L124 HydrophobicContact CB-CD1 3.91Å
112	I	94.8	Very high	93.4	Very high	91 Å²	91	61.2 Å²	61.2	47%	0.467	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.7	170.2	-58.1	-58.4	0	0	0	108.1	S87 Q88 D114	S87-I112 WeakPolarHBondContact O-CA 3.32Å; Q88-I112 HydrophobicContact CB-CD1 3.64Å; Q88-I112 HydrophobicContact CG-CD1 4.01Å; I112-D114 PolarHBondContact O-N 2.83Å
113	V	95.7	Very high	93.1	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.323	C	S	.	.			trans	-65.8	125.1	176.1	-179.8	0	0	0	0	109.6	F78 L80 N83 G86 S87 V89 H117	F78-V113 HydrophobicContact CE2-CG2 4.3Å; L80-V113 HydrophobicContact CD1-CG2 4.49Å; N83-V113 HydrophobicContact CB-CG2 4.27Å; G86-V113 PolarHBondContact N-O 2.88Å; S87-V113 PolarHBondContact O-N 3.37Å; V89-V113 HydrophobicContact CG1-CG2 3.75Å; V89-V113 HydrophobicContact CG2-CG2 4.21Å; V113-H117 HydrophobicContact CG1-CB 4.46Å
114	D	95.5	Very high	93	Very high	35 Å²	35	54.8 Å²	54.8	19%	0.187	30%	0.303	C	S	.	.			trans	-74.4	-179.7	-178.1	79.6	6.5	0	0	0	113.3	I112 N116 H117 T118 G120	I112-D114 PolarHBondContact O-N 2.83Å; D114-N116 PolarHBondContact O-N 3.37Å; D114-N116 VanDerWaalsContact OD1-C 3.31Å; D114-N116 WeakPolarHBondContact OD1-CA 3.49Å; D114-N116 PolarHBondContact OD1-N 2.85Å; D114-H117 PolarHBondContact O-N 2.99Å; D114-H117 PolarHBondContact OD1-N 2.91Å; D114-H117 VanDerWaalsContact OD1-N 3.09Å; D114-T118 VanDerWaalsContact CG-O 3.3Å; D114-T118 VanDerWaalsContact CG-OG1 3.3Å; D114-T118 PolarHBondContact N-O 2.82Å; D114-T118 WeakPolarHBondContact OD1-CA 3.47Å; D114-T118 PolarHBondContact OD1-N 2.96Å; D114-T118 PolarHBondContact OD1-OG1 3.35Å; D114-T118 PolarHBondContact OD2-OG1 2.81Å; D114-G120 WeakPolarHBondContact OD2-CA 3.44Å; D114-G120 PolarHBondContact OD2-N 2.68Å
115	D	93.1	Very high	92.9	Very high	115 Å²	115	55.5 Å²	55.5	62%	0.615	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.4	-178.7	65	-7.6	0	0	0	115.1	I85	I85-D115 WeakPolarHBondContact CD1-O 3.4Å
116	N	92.5	Very high	92.9	Very high	84 Å²	84	52.1 Å²	52.1	45%	0.449	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	12.8	178.4	-74.9	-67.3	0	0	0	112.9	D114 T118	D114-N116 PolarHBondContact O-N 3.37Å; D114-N116 VanDerWaalsContact OD1-C 3.31Å; D114-N116 WeakPolarHBondContact OD1-CA 3.49Å; D114-N116 PolarHBondContact OD1-N 2.85Å; N116-T118 VanDerWaalsContact C-N 3.29Å; N116-T118 HydrophobicContact CB-CG2 3.94Å; N116-T118 WeakPolarHBondContact O-CG2 3.24Å
117	H	95.1	Very high	92.9	Very high	46 Å²	46	51 Å²	51	21%	0.213	28%	0.277	C	S	.	.	S	Bend	trans	64.1	27.8	-173.8	-59.8	-94.5	0	0	0	114	Y79 L80 P81 N83 V113 D114	Y79-H117 CarbonylContact C-O 3.51Å; Y79-H117 VanDerWaalsContact CA-O 3.32Å; Y79-H117 WeakPolarHBondContact CA-O 3.49Å; Y79-H117 HydrophobicContact CD2-CB 4.13Å; Y79-H117 HydrophobicContact CE2-CB 3.91Å; L80-H117 PolarHBondContact N-O 3.47Å; L80-H117 WeakPolarHBondContact O-CB 3.16Å; L80-H117 PolarHBondContact O-ND1 2.82Å; P81-H117 PolarHBondContact O-ND1 3.2Å; N83-H117 PolarHBondContact O-CE1 3.32Å; N83-H117 VanDerWaalsContact O-CE1 3.26Å; N83-H117 PolarHBondContact O-ND1 2.87Å; V113-H117 HydrophobicContact CG1-CB 4.46Å; D114-H117 PolarHBondContact O-N 2.99Å; D114-H117 PolarHBondContact OD1-N 2.91Å; D114-H117 VanDerWaalsContact OD1-N 3.09Å
118	T	95.3	Very high	92.9	Very high	36 Å²	36	47.5 Å²	47.5	22%	0.221	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-116.1	178.3	-178.7	96.6	0	0	0	0	112.3	F78 Y79 D114 N116 G120	F78-T118 VanDerWaalsContact CE2-C 3.45Å; F78-T118 WeakPolarHBondContact O-CA 3.39Å; F78-T118 VanDerWaalsContact O-CB 3.31Å; F78-T118 WeakPolarHBondContact O-CB 3.3Å; Y79-T118 HydrophobicContact CD2-CG2 4.17Å; D114-T118 VanDerWaalsContact CG-O 3.3Å; D114-T118 VanDerWaalsContact CG-OG1 3.3Å; D114-T118 PolarHBondContact N-O 2.82Å; D114-T118 WeakPolarHBondContact OD1-CA 3.47Å; D114-T118 PolarHBondContact OD1-N 2.96Å; D114-T118 PolarHBondContact OD1-OG1 3.35Å; D114-T118 PolarHBondContact OD2-OG1 2.81Å; N116-T118 VanDerWaalsContact C-N 3.29Å; N116-T118 HydrophobicContact CB-CG2 3.94Å; N116-T118 WeakPolarHBondContact O-CG2 3.24Å; T118-G120 PolarHBondContact O-N 2.84Å; T118-G120 PolarHBondContact OG1-N 2.93Å
119	S	93.1	Very high	92.8	Very high	13 Å²	13	47.1 Å²	47.1	9%	0.091	26%	0.255	C	S	.	.	S	Bend	trans	-77.3	-1.6	171.1	56.6	0	0	0	0	114.4	Y77 F78	Y77-S119 WeakPolarHBondContact CA-OG 3.16Å; F78-S119 VanDerWaalsContact CE1-CB 3.49Å; F78-S119 PolarHBondContact N-OG 2.87Å; F78-S119 PolarHBondContact O-N 3.31Å
120	G	91.2	Very high	92.6	Very high	20 Å²	20	46.9 Å²	46.9	21%	0.206	26%	0.255	C	S	.	.			trans	92.5	174.3	-170.1	0	0	0	0	0	113.8	D114 T118 T122	D114-G120 WeakPolarHBondContact OD2-CA 3.44Å; D114-G120 PolarHBondContact OD2-N 2.68Å; T118-G120 PolarHBondContact O-N 2.84Å; T118-G120 PolarHBondContact OG1-N 2.93Å; G120-T122 VanDerWaalsContact C-N 3.32Å; G120-T122 PolarHBondContact O-N 2.84Å
121	E	86.3	Confident	92.3	Very high	187 Å²	187	46 Å²	46	87%	0.874	25%	0.25	S	C	*	.	S	Bend	trans	-70.2	-26.7	-178.1	-61.5	-174.6	159.7	0	0	113.4
122	T	86.9	Confident	91.9	Very high	113 Å²	113	48.6 Å²	48.6	69%	0.693	26%	0.263	S	S	*	.	S	Bend	trans	-86.3	125.8	177.6	-59.3	0	0	0	0	109.5	G120 L124	G120-T122 VanDerWaalsContact C-N 3.32Å; G120-T122 PolarHBondContact O-N 2.84Å; T122-L124 PolarHBondContact O-N 2.81Å
123	P	89.3	Confident	91.3	Very high	38 Å²	38	47.8 Å²	47.8	25%	0.247	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.5	178.9	22	-26.9	0	0	0	110.7	P75 Y77	P75-P123 HydrophobicContact CB-CB 3.91Å; P75-P123 HydrophobicContact CB-CG 4.42Å; Y77-P123 HydrophobicContact CE1-CB 3.84Å; Y77-P123 HydrophobicContact CE1-CG 4.48Å; Y77-P123 HydrophobicContact CE2-CB 3.84Å; Y77-P123 VanDerWaalsContact CZ-CB 3.45Å; Y77-P123 WeakPolarHBondContact OH-CB 3.44Å; Y77-P123 VanDerWaalsContact OH-CD 3.27Å; Y77-P123 WeakPolarHBondContact OH-CD 3.19Å; Y77-P123 WeakPolarHBondContact OH-CG 3.41Å
124	L	92.8	Very high	91	Very high	20 Å²	20	52 Å²	52	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	157.1	159.6	-63.7	172.8	0	0	0	108.9	P75 Y76 F78 I91 C111 T122	P75-L124 CarbonylContact C-O 3.57Å; P75-L124 VanDerWaalsContact CA-O 3.28Å; P75-L124 WeakPolarHBondContact CA-O 3.22Å; Y76-L124 HydrophobicContact CD1-CB 4.09Å; Y76-L124 HydrophobicContact CD2-CB 4.25Å; Y76-L124 HydrophobicContact CE1-CB 3.56Å; Y76-L124 HydrophobicContact CE2-CB 3.74Å; Y76-L124 HydrophobicContact CE2-CD1 3.68Å; Y76-L124 HydrophobicContact CE2-CG 4.36Å; Y76-L124 HydrophobicContact CG-CB 4.42Å; Y76-L124 PolarHBondContact N-O 2.99Å; Y76-L124 PolarHBondContact O-N 3.25Å; Y76-L124 VanDerWaalsContact O-N 3.12Å; F78-L124 HydrophobicContact CD1-CD1 4.2Å; F78-L124 HydrophobicContact CE1-CD1 3.78Å; I91-L124 HydrophobicContact CD1-CD1 4.37Å; C111-L124 HydrophobicContact CB-CD1 3.91Å; T122-L124 PolarHBondContact O-N 2.81Å
125	K	92.8	Very high	90.8	Very high	80 Å²	80	50.5 Å²	50.5	35%	0.348	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	109.8	-173.8	-66.1	178.7	173.1	-169.2	0	110.4	Q73 Q109 T127	Q73-K125 HydrophobicContact CB-CD 4.46Å; Q73-K125 HydrophobicContact CG-CD 4.44Å; Q109-K125 PolarHBondContact NE2-O 2.67Å; K125-T127 PolarHBondContact O-N 3.27Å; K125-T127 PolarHBondContact O-OG1 3.33Å
126	A	93.8	Very high	90.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	108.2	166.9	0	0	0	0	0	107.8	V74 Y76 I93 V141 I143	V74-A126 HydrophobicContact CB-CB 4.28Å; V74-A126 PolarHBondContact N-O 3.27Å; V74-A126 PolarHBondContact O-N 2.7Å; Y76-A126 HydrophobicContact CD1-CB 4.29Å; Y76-A126 HydrophobicContact CE1-CB 4.12Å; I93-A126 HydrophobicContact CD1-CB 3.71Å; I93-A126 HydrophobicContact CG1-CB 4.24Å; I93-A126 HydrophobicContact CG2-CB 3.98Å; A126-V141 HydrophobicContact CB-CG1 4.35Å; A126-I143 HydrophobicContact CB-CD1 4.06Å; A126-I143 HydrophobicContact CB-CG1 4.23Å
127	T	92	Very high	90.7	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.6	-175.7	-51.8	0	0	0	0	109.4	T71 I72 Q73 K125 G177	T71-T127 HydrophobicContact CG2-CG2 3.28Å; I72-T127 CarbonylContact O-C 3.5Å; I72-T127 VanDerWaalsContact O-CA 3.31Å; I72-T127 WeakPolarHBondContact O-CA 3.46Å; Q73-T127 HydrophobicContact CG-CG2 4.08Å; K125-T127 PolarHBondContact O-N 3.27Å; K125-T127 PolarHBondContact O-OG1 3.33Å; T127-G177 WeakPolarHBondContact CB-O 3.48Å
128	V	92.4	Very high	90.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.3	-170.7	-173.2	0	0	0	0	110.4	T71 I72 V95 L106 L130 I139 V141	T71-V128 WeakPolarHBondContact CA-O 3.26Å; I72-V128 HydrophobicContact CD1-CB 4.16Å; I72-V128 HydrophobicContact CG1-CB 3.68Å; I72-V128 HydrophobicContact CG1-CG2 4.31Å; I72-V128 PolarHBondContact N-O 2.99Å; I72-V128 PolarHBondContact O-N 2.83Å; V95-V128 HydrophobicContact CG2-CB 4.49Å; V95-V128 HydrophobicContact CG2-CG1 3.45Å; V95-V128 VanDerWaalsContact CG2-CG1 3.45Å; V95-V128 HydrophobicContact CG2-CG2 4.23Å; L106-V128 HydrophobicContact CD1-CB 4.38Å; L106-V128 HydrophobicContact CD1-CG1 4.35Å; L106-V128 HydrophobicContact CD1-CG2 3.84Å; V128-L130 HydrophobicContact CG1-CD2 4.07Å; V128-I139 HydrophobicContact CG1-CD1 4.42Å; V128-V141 HydrophobicContact CG2-CG1 4.13Å; V128-V141 HydrophobicContact CG2-CG2 3.95Å
129	P	90.6	Very high	90.8	Very high	32 Å²	32	47.8 Å²	47.8	21%	0.208	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.9	169.7	-15.6	30.8	0	0	0	111	D131	P129-D131 PolarHBondContact O-N 2.68Å; P129-D131 VanDerWaalsContact O-N 3.12Å
130	L	92.7	Very high	91	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.			trans	-88.2	46.1	-179.1	-57.2	-178	0	0	0	112.5	A66 Y69 S70 I72 V128 Y135 I139 I156	A66-L130 HydrophobicContact CB-CD1 3.57Å; Y69-L130 VanDerWaalsContact CA-O 3.3Å; Y69-L130 WeakPolarHBondContact CA-O 3.29Å; Y69-L130 PolarHBondContact N-O 2.85Å; S70-L130 VanDerWaalsContact O-CB 3.29Å; S70-L130 WeakPolarHBondContact O-CB 3.26Å; S70-L130 WeakPolarHBondContact O-CG 3.43Å; S70-L130 PolarHBondContact O-N 3.15Å; I72-L130 HydrophobicContact CD1-CD2 4.45Å; I72-L130 HydrophobicContact CG2-CD1 3.95Å; V128-L130 HydrophobicContact CG1-CD2 4.07Å; L130-Y135 HydrophobicContact CB-CD2 4.09Å; L130-Y135 HydrophobicContact CD2-CD2 4.06Å; L130-Y135 HydrophobicContact CD2-CE2 4.31Å; L130-I139 HydrophobicContact CD2-CD1 3.43Å; L130-I139 VanDerWaalsContact CD2-CD1 3.43Å; L130-I156 HydrophobicContact CD1-CD1 3.64Å; L130-I156 HydrophobicContact CD2-CD1 4.27Å
131	D	87.9	Confident	91.3	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	25%	0.253	C	S	.	.			trans	-82.2	-14	-169.5	-69.3	-35.1	0	0	0	114.4	P129 K176 K412	P129-D131 PolarHBondContact O-N 2.68Å; P129-D131 VanDerWaalsContact O-N 3.12Å; D131-K176 IonicContact OD1-NZ 3.79Å; D131-K176 PolarHBondContact OD1-NZ 3.2Å; D131-K176 WeakPolarHBondContact OD2-CE 3.11Å; D131-K176 IonicContact OD2-NZ 2.7Å; D131-K176 PolarHBondContact OD2-NZ 3.32Å; D131-K412 IonicContact OD1-NZ 3.92Å
132	L	85.5	Confident	91.8	Very high	69 Å²	69	37.7 Å²	37.7	36%	0.361	21%	0.213	S	C	.	.			trans	-82.2	143.9	179.1	-59.9	-174.9	0	0	0	112.1	D134 Y135	L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 3.13Å; L132-Y135 HydrophobicContact CB-CD1 4.05Å; L132-Y135 HydrophobicContact CB-CD2 3.95Å; L132-Y135 HydrophobicContact CB-CE1 3.88Å; L132-Y135 HydrophobicContact CB-CE2 3.75Å; L132-Y135 HydrophobicContact CB-CG 4.11Å; L132-Y135 HydrophobicContact CD1-CE1 3.67Å; L132-Y135 HydrophobicContact CD1-CE2 4.46Å; L132-Y135 WeakPolarHBondContact CD1-OH 3.18Å; L132-Y135 HydrophobicContact CG-CE1 4.07Å; L132-Y135 HydrophobicContact CG-CE2 4.01Å
133	N	82.3	Confident	92.4	Very high	74 Å²	74	32.3 Å²	32.3	40%	0.396	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-67.8	-30.1	176.7	-74.5	-30.4	0	0	0	113.2	Q68 Y69 Y135	Q68-N133 PolarHBondContact NE2-OD1 3.26Å; Y69-N133 PolarHBondContact OH-OD1 3.41Å; N133-Y135 VanDerWaalsContact C-N 3.27Å; N133-Y135 PolarHBondContact O-N 3.25Å
134	D	89.2	Confident	92.8	Very high	89 Å²	89	33.1 Å²	33.1	48%	0.476	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-84.9	5.6	-171.8	-56.3	-30	0	0	0	113.8	Y97 N98 L132 A136	Y97-D134 HydrophobicContact CD2-CB 4.06Å; Y97-D134 HydrophobicContact CE2-CB 4.04Å; N98-D134 PolarHBondContact OD1-O 2.87Å; L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 3.13Å; D134-A136 VanDerWaalsContact C-N 3.27Å; D134-A136 PolarHBondContact O-N 3.45Å
135	Y	92	Very high	92.9	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.016	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-73.4	-16.5	176.3	-70.8	-20.5	0	0	0	114	V95 Y97 L104 L130 L132 N133 K138 I139 I156	V95-Y135 HydrophobicContact CG1-CE1 4.21Å; Y97-Y135 HydrophobicContact CD1-CD1 4.07Å; Y97-Y135 AromaticContact CD1-CE1 3.67Å; Y97-Y135 HydrophobicContact CD1-CE1 3.67Å; Y97-Y135 HydrophobicContact CD2-CD1 4.05Å; Y97-Y135 HydrophobicContact CD2-CE1 4.3Å; Y97-Y135 HydrophobicContact CE1-CE1 4.09Å; Y97-Y135 AromaticContact CG-CD1 3.69Å; Y97-Y135 HydrophobicContact CG-CD1 3.69Å; Y97-Y135 AromaticContact CG-CE1 3.8Å; Y97-Y135 HydrophobicContact CG-CE1 3.8Å; L104-Y135 WeakPolarHBondContact CD2-OH 3.28Å; L130-Y135 HydrophobicContact CB-CD2 4.09Å; L130-Y135 HydrophobicContact CD2-CD2 4.06Å; L130-Y135 HydrophobicContact CD2-CE2 4.31Å; L132-Y135 HydrophobicContact CB-CD1 4.05Å; L132-Y135 HydrophobicContact CB-CD2 3.95Å; L132-Y135 HydrophobicContact CB-CE1 3.88Å; L132-Y135 HydrophobicContact CB-CE2 3.75Å; L132-Y135 HydrophobicContact CB-CG 4.11Å; L132-Y135 HydrophobicContact CD1-CE1 3.67Å; L132-Y135 HydrophobicContact CD1-CE2 4.46Å; L132-Y135 WeakPolarHBondContact CD1-OH 3.18Å; L132-Y135 HydrophobicContact CG-CE1 4.07Å; L132-Y135 HydrophobicContact CG-CE2 4.01Å; N133-Y135 VanDerWaalsContact C-N 3.27Å; N133-Y135 PolarHBondContact O-N 3.25Å; Y135-K138 CarbonylContact O-C 3.57Å; Y135-K138 VanDerWaalsContact O-C 3.31Å; Y135-K138 PolarHBondContact O-N 2.98Å; Y135-K138 VanDerWaalsContact O-N 3.14Å; Y135-I139 HydrophobicContact CD1-CG2 3.72Å; Y135-I139 HydrophobicContact CE1-CG2 4.5Å; Y135-I139 HydrophobicContact CG-CG2 3.76Å; Y135-I156 VanDerWaalsContact O-CG1 3.25Å; Y135-I156 WeakPolarHBondContact O-CG1 3.41Å
136	A	89.8	Confident	92.9	Very high	46 Å²	46	32 Å²	32	38%	0.38	19%	0.194	S	C	.	.			trans	-76.1	144.7	175	0	0	0	0	0	111.6	D134	D134-A136 VanDerWaalsContact C-N 3.27Å; D134-A136 PolarHBondContact O-N 3.45Å
137	P	92.8	Very high	92.9	Very high	95 Å²	95	40.3 Å²	40.3	62%	0.617	24%	0.238	S	C	*	.	S	Bend	cis	-89	-3.8	0.3	35.8	-35.8	0	0	0	114	I156	P137-I156 PolarHBondContact O-N 3.06Å
138	K	95.7	Very high	93	Very high	82 Å²	82	41.3 Å²	41.3	36%	0.357	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	146.4	-172.7	174.4	-176.3	166.3	-177	0	111.4	Y135 D153 V154	Y135-K138 CarbonylContact O-C 3.57Å; Y135-K138 VanDerWaalsContact O-C 3.31Å; Y135-K138 PolarHBondContact O-N 2.98Å; Y135-K138 VanDerWaalsContact O-N 3.14Å; K138-D153 WeakPolarHBondContact CE-OD1 3.45Å; K138-D153 WeakPolarHBondContact CE-OD2 3.33Å; K138-D153 IonicContact NZ-OD1 3.2Å; K138-D153 PolarHBondContact NZ-OD1 3.32Å; K138-D153 IonicContact NZ-OD2 2.64Å; K138-D153 PolarHBondContact NZ-OD2 3.22Å; K138-V154 WeakPolarHBondContact CA-O 3.31Å
139	I	97.2	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.5	163.7	65.9	165.7	0	0	0	111.5	I72 V95 L96 V128 L130 Y135 V141 V154 I156	I72-I139 HydrophobicContact CD1-CD1 4.25Å; V95-I139 HydrophobicContact CG1-CB 3.94Å; V95-I139 HydrophobicContact CG1-CD1 3.82Å; V95-I139 HydrophobicContact CG1-CG1 4.45Å; V95-I139 HydrophobicContact CG1-CG2 4.18Å; L96-I139 CarbonylContact O-C 3.56Å; L96-I139 VanDerWaalsContact O-CA 3.29Å; L96-I139 WeakPolarHBondContact O-CA 3.44Å; V128-I139 HydrophobicContact CG1-CD1 4.42Å; L130-I139 HydrophobicContact CD2-CD1 3.43Å; L130-I139 VanDerWaalsContact CD2-CD1 3.43Å; Y135-I139 HydrophobicContact CD1-CG2 3.72Å; Y135-I139 HydrophobicContact CE1-CG2 4.5Å; Y135-I139 HydrophobicContact CG-CG2 3.76Å; I139-V141 HydrophobicContact CD1-CG2 4.13Å; I139-V154 HydrophobicContact CG1-CB 3.95Å; I139-V154 HydrophobicContact CG1-CG2 4.49Å; I139-V154 PolarHBondContact N-O 3.26Å; I139-V154 PolarHBondContact O-N 2.78Å; I139-I156 HydrophobicContact CD1-CD1 4.4Å; I139-I156 HydrophobicContact CG1-CD1 4.02Å; I139-I156 HydrophobicContact CG1-CG1 4.35Å; I139-I156 HydrophobicContact CG2-CG1 4.1Å
140	S	97.7	Very high	93.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.2	167.8	-60.7	0	0	0	0	109.6	L96 H152 D153	L96-S140 PolarHBondContact N-O 2.84Å; L96-S140 PolarHBondContact O-N 2.94Å; S140-H152 CarbonylContact C-O 3.55Å; S140-H152 WeakPolarHBondContact CA-O 3.27Å; S140-D153 WeakPolarHBondContact CB-OD1 3.36Å; S140-D153 PolarHBondContact OG-OD1 3.24Å
141	V	97.6	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.4	173.1	-176.8	0	0	0	0	107.9	I72 V74 I93 A126 V128 I139 I143 T151 H152	I72-V141 HydrophobicContact CD1-CG2 4.21Å; V74-V141 HydrophobicContact CG2-CB 4.32Å; V74-V141 HydrophobicContact CG2-CG1 4.33Å; V74-V141 HydrophobicContact CG2-CG2 4.13Å; I93-V141 HydrophobicContact CG2-CG1 4.17Å; A126-V141 HydrophobicContact CB-CG1 4.35Å; V128-V141 HydrophobicContact CG2-CG1 4.13Å; V128-V141 HydrophobicContact CG2-CG2 3.95Å; I139-V141 HydrophobicContact CD1-CG2 4.13Å; V141-I143 HydrophobicContact CG1-CG1 4.46Å; V141-T151 CarbonylContact O-C 3.54Å; V141-T151 WeakPolarHBondContact O-CA 3.44Å; V141-H152 PolarHBondContact N-O 2.91Å; V141-H152 PolarHBondContact O-N 2.88Å
142	V	97.8	Very high	94	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.5	-179.1	-163.8	0	0	0	0	109.3	I93 K94 L96 F144 A150 T151	I93-V142 WeakPolarHBondContact CA-O 3.13Å; K94-V142 PolarHBondContact N-O 2.9Å; K94-V142 PolarHBondContact O-N 3.09Å; L96-V142 HydrophobicContact CD1-CG2 3.72Å; L96-V142 HydrophobicContact CG-CG2 3.89Å; V142-F144 HydrophobicContact CB-CD2 4.46Å; V142-F144 HydrophobicContact CB-CE2 3.71Å; V142-F144 HydrophobicContact CB-CZ 4.16Å; V142-F144 HydrophobicContact CG1-CD2 4.01Å; V142-F144 HydrophobicContact CG1-CE1 4.1Å; V142-F144 HydrophobicContact CG1-CE2 3.27Å; V142-F144 HydrophobicContact CG1-CZ 3.32Å; V142-A150 WeakPolarHBondContact CA-O 3.08Å; V142-T151 HydrophobicContact CG2-CG2 4.17Å
143	I	97.9	Very high	94.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.5	-178.2	-58.6	166.4	0	0	0	107.2	I56 I58 V74 Y76 I91 A126 V141 S149 A150	I56-I143 HydrophobicContact CD1-CG2 4.31Å; I56-I143 HydrophobicContact CG2-CG2 4.48Å; I58-I143 HydrophobicContact CD1-CD1 3.91Å; V74-I143 HydrophobicContact CG1-CD1 4.36Å; Y76-I143 HydrophobicContact CD1-CD1 3.6Å; Y76-I143 HydrophobicContact CD2-CD1 4.4Å; Y76-I143 HydrophobicContact CD2-CG2 4.06Å; Y76-I143 HydrophobicContact CE1-CD1 4.24Å; Y76-I143 HydrophobicContact CE2-CG2 3.97Å; Y76-I143 HydrophobicContact CG-CD1 3.68Å; Y76-I143 HydrophobicContact CG-CG2 4.4Å; I91-I143 HydrophobicContact CG2-CG2 3.49Å; I91-I143 VanDerWaalsContact CG2-CG2 3.49Å; A126-I143 HydrophobicContact CB-CD1 4.06Å; A126-I143 HydrophobicContact CB-CG1 4.23Å; V141-I143 HydrophobicContact CG1-CG1 4.46Å; I143-S149 CarbonylContact O-C 3.58Å; I143-S149 WeakPolarHBondContact O-CA 3.29Å; I143-A150 PolarHBondContact N-O 3.21Å; I143-A150 PolarHBondContact O-N 3.09Å
144	F	97.7	Very high	95.2	Very high	55 Å²	55	43.1 Å²	43.1	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139	-179	-63.2	-91.8	0	0	0	111.2	I91 E92 K94 V142 V148	I91-F144 WeakPolarHBondContact CA-O 3.24Å; E92-F144 HydrophobicContact CB-CB 4.17Å; E92-F144 PolarHBondContact N-O 2.92Å; E92-F144 PolarHBondContact O-N 2.8Å; K94-F144 HydrophobicContact CB-CE2 4.45Å; K94-F144 HydrophobicContact CD-CE2 4.02Å; K94-F144 HydrophobicContact CG-CE2 4.27Å; V142-F144 HydrophobicContact CB-CD2 4.46Å; V142-F144 HydrophobicContact CB-CE2 3.71Å; V142-F144 HydrophobicContact CB-CZ 4.16Å; V142-F144 HydrophobicContact CG1-CD2 4.01Å; V142-F144 HydrophobicContact CG1-CE1 4.1Å; V142-F144 HydrophobicContact CG1-CE2 3.27Å; V142-F144 HydrophobicContact CG1-CZ 3.32Å; F144-V148 WeakPolarHBondContact CA-O 3.15Å
145	I	96.1	Very high	95.6	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	99.3	165.8	-51.3	176.3	0	0	0	107.1	I56 F78 L80 V89 I91 D147 V148	I56-I145 HydrophobicContact CD1-CB 4.32Å; I56-I145 HydrophobicContact CD1-CD1 4Å; I56-I145 HydrophobicContact CD1-CG1 3.82Å; I56-I145 HydrophobicContact CG1-CD1 4.07Å; I56-I145 HydrophobicContact CG1-CG1 4.44Å; F78-I145 HydrophobicContact CB-CD1 3.55Å; F78-I145 HydrophobicContact CD1-CD1 3.25Å; F78-I145 HydrophobicContact CD2-CD1 4.46Å; F78-I145 HydrophobicContact CE1-CD1 4.01Å; F78-I145 HydrophobicContact CG-CD1 3.52Å; L80-I145 HydrophobicContact CD1-CG2 3.82Å; L80-I145 HydrophobicContact CD2-CG2 4.28Å; V89-I145 HydrophobicContact CB-CG2 4.35Å; I91-I145 HydrophobicContact CB-CG1 4.38Å; I91-I145 HydrophobicContact CG1-CD1 3.99Å; I91-I145 HydrophobicContact CG1-CG1 3.91Å; I91-I145 HydrophobicContact CG2-CG1 4.05Å; I145-D147 PolarHBondContact O-N 2.84Å; I145-V148 PolarHBondContact N-O 3.12Å; I145-V148 PolarHBondContact O-N 2.84Å; I145-V148 VanDerWaalsContact O-N 3.15Å
146	G	92.9	Very high	95.8	Very high	66 Å²	66	43.9 Å²	43.9	68%	0.68	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-124.7	-167.3	0	0	0	0	0	110.5
147	D	92.6	Very high	96	Very high	174 Å²	174	47.1 Å²	47.1	93%	0.93	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-9	-178.5	-61.4	-35.3	0	0	0	114	I145	I145-D147 PolarHBondContact O-N 2.84Å
148	V	95.7	Very high	95.9	Very high	28 Å²	28	45.4 Å²	45.4	17%	0.17	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.1	179.6	-177.9	0	0	0	0	110.2	P54 I56 F144 I145	P54-V148 HydrophobicContact CB-CG2 3.62Å; P54-V148 HydrophobicContact CG-CG2 3.53Å; I56-V148 HydrophobicContact CD1-CB 4.47Å; I56-V148 HydrophobicContact CD1-CG1 3.99Å; I56-V148 HydrophobicContact CG1-CG1 3.86Å; F144-V148 WeakPolarHBondContact CA-O 3.15Å; I145-V148 PolarHBondContact N-O 3.12Å; I145-V148 PolarHBondContact O-N 2.84Å; I145-V148 VanDerWaalsContact O-N 3.15Å
149	S	96.3	Very high	95.7	Very high	63 Å²	63	41.8 Å²	41.8	44%	0.441	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.4	176.3	64.1	0	0	0	0	113.6	I143	I143-S149 CarbonylContact O-C 3.58Å; I143-S149 WeakPolarHBondContact O-CA 3.29Å
150	A	95.9	Very high	95.2	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.4	165.2	0	0	0	0	0	109.7	I56 I58 V142 I143	I56-A150 HydrophobicContact CB-CB 3.78Å; I56-A150 HydrophobicContact CG2-CB 3.61Å; I58-A150 HydrophobicContact CD1-CB 4.01Å; I58-A150 HydrophobicContact CG1-CB 4.34Å; V142-A150 WeakPolarHBondContact CA-O 3.08Å; I143-A150 PolarHBondContact N-O 3.21Å; I143-A150 PolarHBondContact O-N 3.09Å
151	T	96	Very high	94.8	Very high	76 Å²	76	45.9 Å²	45.9	47%	0.466	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.8	176.3	-59.2	0	0	0	0	109.8	V141 V142	V141-T151 CarbonylContact O-C 3.54Å; V141-T151 WeakPolarHBondContact O-CA 3.44Å; V142-T151 HydrophobicContact CG2-CG2 4.17Å
152	H	95.7	Very high	94.4	Very high	27 Å²	27	50.8 Å²	50.8	13%	0.125	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.5	174.7	-176.4	67.7	0	0	0	110.7	I58 P63 V74 S140 V141	I58-H152 HydrophobicContact CD1-CB 4.28Å; I58-H152 HydrophobicContact CG1-CB 4.27Å; I58-H152 HydrophobicContact CG2-CB 4.43Å; P63-H152 PolarHBondContact O-NE2 3.14Å; V74-H152 HydrophobicContact CG1-CB 4.09Å; S140-H152 CarbonylContact C-O 3.55Å; S140-H152 WeakPolarHBondContact CA-O 3.27Å; V141-H152 PolarHBondContact N-O 2.91Å; V141-H152 PolarHBondContact O-N 2.88Å
153	D	96.3	Very high	94	Very high	73 Å²	73	50.9 Å²	50.9	39%	0.39	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135	-175.6	-76.9	-24	0	0	0	111.8	K138 S140	K138-D153 WeakPolarHBondContact CE-OD1 3.45Å; K138-D153 WeakPolarHBondContact CE-OD2 3.33Å; K138-D153 IonicContact NZ-OD1 3.2Å; K138-D153 PolarHBondContact NZ-OD1 3.32Å; K138-D153 IonicContact NZ-OD2 2.64Å; K138-D153 PolarHBondContact NZ-OD2 3.22Å; S140-D153 WeakPolarHBondContact CB-OD1 3.36Å; S140-D153 PolarHBondContact OG-OD1 3.24Å
154	V	97.1	Very high	93.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.1	179.1	-167.9	0	0	0	0	110.3	P63 A66 I72 K138 I139 I156	P63-V154 WeakPolarHBondContact O-CG2 3.14Å; A66-V154 HydrophobicContact CB-CG1 3.93Å; I72-V154 HydrophobicContact CD1-CB 4.42Å; I72-V154 HydrophobicContact CD1-CG1 4.31Å; I72-V154 HydrophobicContact CD1-CG2 3.83Å; K138-V154 WeakPolarHBondContact CA-O 3.31Å; I139-V154 HydrophobicContact CG1-CB 3.95Å; I139-V154 HydrophobicContact CG1-CG2 4.49Å; I139-V154 PolarHBondContact N-O 3.26Å; I139-V154 PolarHBondContact O-N 2.78Å; V154-I156 HydrophobicContact CB-CD1 4.38Å; V154-I156 HydrophobicContact CG1-CD1 4.03Å
155	I	97	Very high	93.4	Very high	100 Å²	100	55.6 Å²	55.6	51%	0.513	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.2	173.5	-61.7	170.1	0	0	0	109.2	V64 S65 A66	V64-I155 PolarHBondContact O-N 2.95Å; S65-I155 CarbonylContact C-O 3.59Å; S65-I155 WeakPolarHBondContact CA-O 3.38Å; A66-I155 PolarHBondContact N-O 3.33Å
156	I	95.9	Very high	93.4	Very high	10 Å²	10	55.6 Å²	55.6	5%	0.051	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119	-178.8	-54.1	-46.6	0	0	0	110.6	A66 Q68 L130 Y135 P137 I139 V154	A66-I156 HydrophobicContact CB-CD1 4.46Å; A66-I156 CarbonylContact O-C 3.53Å; A66-I156 WeakPolarHBondContact O-CA 3.47Å; Q68-I156 HydrophobicContact CB-CG2 4.22Å; L130-I156 HydrophobicContact CD1-CD1 3.64Å; L130-I156 HydrophobicContact CD2-CD1 4.27Å; Y135-I156 VanDerWaalsContact O-CG1 3.25Å; Y135-I156 WeakPolarHBondContact O-CG1 3.41Å; P137-I156 PolarHBondContact O-N 3.06Å; I139-I156 HydrophobicContact CD1-CD1 4.4Å; I139-I156 HydrophobicContact CG1-CD1 4.02Å; I139-I156 HydrophobicContact CG1-CG1 4.35Å; I139-I156 HydrophobicContact CG2-CG1 4.1Å; V154-I156 HydrophobicContact CB-CD1 4.38Å; V154-I156 HydrophobicContact CG1-CD1 4.03Å
157	K	94.8	Very high	93.6	Very high	114 Å²	114	56.2 Å²	56.2	50%	0.496	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.7	174.3	-62.3	173.7	-179.5	168.9	0	109	S65 A66 T67 Q68	S65-K157 PolarHBondContact OG-NZ 2.85Å; A66-K157 PolarHBondContact O-N 3.44Å; T67-K157 WeakPolarHBondContact CA-O 3.32Å; Q68-K157 PolarHBondContact N-O 2.82Å
158	G	91.1	Very high	93.8	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-60.7	139.5	176.5	0	0	0	0	0	112	G160	G158-G160 VanDerWaalsContact C-N 3.28Å; G158-G160 PolarHBondContact O-N 3.37Å
159	A	90.5	Very high	93.9	Very high	6 Å²	6	52.3 Å²	52.3	5%	0.05	32%	0.319	C	S	.	.			trans	-75.6	-17.2	179.1	0	0	0	0	0	113.5	T67 Q68 Y69 V161 I413	T67-A159 HydrophobicContact CG2-CB 4.26Å; Q68-A159 HydrophobicContact CB-CB 4.1Å; Y69-A159 HydrophobicContact CD2-CB 3.58Å; Y69-A159 HydrophobicContact CE2-CB 3.71Å; A159-V161 HydrophobicContact CB-CG2 3.99Å; A159-V161 PolarHBondContact O-N 2.99Å; A159-I413 HydrophobicContact CB-CD1 3.71Å; A159-I413 HydrophobicContact CB-CG1 4.06Å
160	G	87.7	Confident	94	Very high	64 Å²	64	51.3 Å²	51.3	66%	0.66	31%	0.306	S	S	*	.	S	Bend	trans	72.1	11.4	-174.8	0	0	0	0	0	114.1	G158	G158-G160 VanDerWaalsContact C-N 3.28Å; G158-G160 PolarHBondContact O-N 3.37Å
161	V	88.5	Confident	94.1	Very high	25 Å²	25	51 Å²	51	15%	0.152	30%	0.304	C	S	.	.	S	Bend	trans	-140.9	157.7	176.1	-67.6	0	0	0	0	109.7	Y69 A159 I413 A416 K417	Y69-V161 HydrophobicContact CE2-CG2 4.45Å; Y69-V161 WeakPolarHBondContact CE2-O 3.44Å; Y69-V161 PolarHBondContact OH-O 2.81Å; A159-V161 HydrophobicContact CB-CG2 3.99Å; A159-V161 PolarHBondContact O-N 2.99Å; V161-I413 HydrophobicContact CG2-CG1 4.43Å; V161-I413 HydrophobicContact CG2-CG2 4.41Å; V161-A416 HydrophobicContact CB-CB 4.25Å; V161-A416 HydrophobicContact CG1-CB 4.29Å; V161-A416 HydrophobicContact CG2-CB 4.26Å; V161-K417 HydrophobicContact CG1-CD 4.5Å; V161-K417 HydrophobicContact CG1-CG 3.48Å; V161-K417 VanDerWaalsContact CG1-CG 3.48Å
162	T	88.1	Confident	94.2	Very high	103 Å²	103	50.8 Å²	50.8	63%	0.632	30%	0.295	S	S	*	.			trans	-108.6	127.9	168.3	-57.7	0	0	0	0	108.5	Y69 Q164	Y69-T162 WeakPolarHBondContact OH-CA 3.33Å; T162-Q164 HydrophobicContact CG2-CG 4.22Å
163	L	90.8	Very high	94.3	Very high	7 Å²	7	50 Å²	50	4%	0.037	29%	0.291	C	S	.	.			trans	-107.2	131.2	175	-64.2	174.9	0	0	0	109	Y69 A391 Y392 K412 A416	Y69-L163 HydrophobicContact CD1-CB 4.44Å; Y69-L163 HydrophobicContact CD1-CD1 4.09Å; Y69-L163 HydrophobicContact CD2-CD1 3.74Å; Y69-L163 HydrophobicContact CD2-CG 4.22Å; Y69-L163 HydrophobicContact CE1-CB 4.08Å; Y69-L163 HydrophobicContact CE1-CD1 4.44Å; Y69-L163 HydrophobicContact CE2-CB 4.45Å; Y69-L163 HydrophobicContact CE2-CD1 4.13Å; Y69-L163 HydrophobicContact CE2-CG 4.09Å; Y69-L163 HydrophobicContact CG-CD1 3.72Å; Y69-L163 HydrophobicContact CG-CG 4.49Å; Y69-L163 PolarHBondContact OH-N 3Å; L163-A391 HydrophobicContact CD2-CB 4.01Å; L163-Y392 HydrophobicContact CB-CD2 3.89Å; L163-K412 HydrophobicContact CD1-CB 4.07Å; L163-K412 HydrophobicContact CD1-CD 3.59Å; L163-K412 HydrophobicContact CD1-CG 4.04Å; L163-A416 HydrophobicContact CD2-CB 3.42Å; L163-A416 VanDerWaalsContact CD2-CB 3.42Å
164	Q	89.8	Confident	94.2	Very high	114 Å²	114	47.4 Å²	47.4	53%	0.533	28%	0.278	S	S	.	.			trans	-137	129	174.9	-69.8	-61.7	-48.5	0	0	109.7	T162	T162-Q164 HydrophobicContact CG2-CG 4.22Å
165	P	93.3	Very high	94.1	Very high	41 Å²	41	47.4 Å²	47.4	27%	0.266	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-77.1	161.8	170.4	33.8	-31.7	0	0	0	110.2	R375 N389 Y392	P165-R375 VanDerWaalsContact CB-NH2 3.35Å; P165-N389 WeakPolarHBondContact CA-OD1 3.43Å; P165-Y392 HydrophobicContact CB-CD1 3.88Å; P165-Y392 HydrophobicContact CB-CD2 4.43Å; P165-Y392 HydrophobicContact CB-CE1 4.17Å; P165-Y392 HydrophobicContact CB-CG 4.02Å; P165-Y392 HydrophobicContact CG-CD1 4.18Å; P165-Y392 HydrophobicContact CG-CD2 4.29Å; P165-Y392 HydrophobicContact CG-CE1 4.01Å; P165-Y392 HydrophobicContact CG-CE2 4.16Å; P165-Y392 HydrophobicContact CG-CG 4.31Å
166	V	96.4	Very high	93.9	Very high	11 Å²	11	43.1 Å²	43.1	7%	0.067	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.8	135.3	174	-175.8	0	0	0	0	110.1	Y377 I381 Q385 N389	V166-Y377 HydrophobicContact CB-CE1 4.04Å; V166-Y377 HydrophobicContact CG1-CE1 3.99Å; V166-Y377 PolarHBondContact O-OH 3.04Å; V166-I381 HydrophobicContact CG1-CG2 4.11Å; V166-Q385 HydrophobicContact CG1-CG 4.49Å; V166-Q385 HydrophobicContact CG2-CB 3.49Å; V166-Q385 VanDerWaalsContact CG2-CB 3.49Å; V166-Q385 HydrophobicContact CG2-CG 3.87Å; V166-Q385 WeakPolarHBondContact CG2-O 3.41Å; V166-N389 WeakPolarHBondContact CG2-ND2 3.22Å; V166-N389 WeakPolarHBondContact CG2-OD1 3.41Å; V166-N389 PolarHBondContact N-OD1 2.84Å
167	S	96.9	Very high	93.7	Very high	79 Å²	79	43.2 Å²	43.2	55%	0.552	26%	0.26	S	S	*	.	S	Bend	trans	-71.9	165.9	177.5	63.3	0	0	0	0	112.8	C169 K379	S167-C169 VanDerWaalsContact C-N 3.28Å; S167-C169 PolarHBondContact O-N 2.84Å; S167-K379 PolarHBondContact O-NZ 2.69Å; S167-K379 VanDerWaalsContact O-NZ 3.15Å
168	E	96.4	Very high	93.6	Very high	101 Å²	101	40.1 Å²	40.1	47%	0.472	25%	0.246	S	C	.	.			trans	65.4	27.2	178.7	-54.4	159.3	-160.1	0	0	114	K170 K379	E168-K170 PolarHBondContact O-N 3.46Å; E168-K379 VanDerWaalsContact CD-NZ 3.3Å; E168-K379 IonicContact OE1-NZ 3.66Å; E168-K379 WeakPolarHBondContact OE2-CD 3.35Å; E168-K379 WeakPolarHBondContact OE2-CE 3.34Å; E168-K379 IonicContact OE2-NZ 3.08Å; E168-K379 PolarHBondContact OE2-NZ 3.13Å
169	C	98.1	Very high	93.7	Very high	20 Å²	20	38.2 Å²	38.2	14%	0.135	22%	0.223	C	C	.	.			trans	-68.5	109.2	172.2	-165.6	0	0	0	0	109.8	S167 V171 Y192 Y377	S167-C169 VanDerWaalsContact C-N 3.28Å; S167-C169 PolarHBondContact O-N 2.84Å; C169-V171 PolarHBondContact SG-O 2.81Å; C169-Y192 WeakPolarHBondContact O-CD2 3.33Å; C169-Y377 HydrophobicContact CB-CD1 4.13Å; C169-Y377 HydrophobicContact CB-CE1 3.44Å; C169-Y377 VanDerWaalsContact CB-CE1 3.44Å
170	K	98.1	Very high	93.8	Very high	42 Å²	42	40 Å²	40	18%	0.183	23%	0.232	C	C	.	.	S	Bend	trans	-77.5	-33.7	-177	-57.6	-54.7	-174.6	-177.6	0	112.2	E168 Y192 T197 G376 E378	E168-K170 PolarHBondContact O-N 3.46Å; K170-Y192 HydrophobicContact CD-CD1 3.69Å; K170-Y192 HydrophobicContact CD-CD2 3.99Å; K170-Y192 HydrophobicContact CD-CE1 3.83Å; K170-Y192 HydrophobicContact CD-CE2 4.08Å; K170-Y192 HydrophobicContact CD-CG 3.79Å; K170-Y192 PolarHBondContact NZ-OH 3.41Å; K170-T197 WeakPolarHBondContact O-CB 3.35Å; K170-T197 VanDerWaalsContact O-CG2 3.26Å; K170-T197 WeakPolarHBondContact O-CG2 3.5Å; K170-T197 PolarHBondContact O-OG1 3.08Å; K170-G376 PolarHBondContact N-O 3.49Å; K170-E378 HydrophobicContact CG-CB 4.32Å; K170-E378 HydrophobicContact CG-CG 3.95Å
171	V	98.4	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.4	176.5	174.3	0	0	0	0	107.9	C169 Y173 S198 L230 W233 I374 R375 G376	C169-V171 PolarHBondContact SG-O 2.81Å; V171-Y173 HydrophobicContact CG1-CD2 3.91Å; V171-Y173 HydrophobicContact CG1-CE2 3.62Å; V171-S198 WeakPolarHBondContact CG1-OG 3.33Å; V171-L230 HydrophobicContact CG1-CD1 4.16Å; V171-L230 HydrophobicContact CG1-CD2 4.22Å; V171-W233 HydrophobicContact CG2-CB 3.97Å; V171-W233 HydrophobicContact CG2-CD2 3.72Å; V171-W233 HydrophobicContact CG2-CE3 4.37Å; V171-W233 HydrophobicContact CG2-CG 3.53Å; V171-I374 HydrophobicContact CG1-CG2 4.37Å; V171-R375 CarbonylContact O-C 3.59Å; V171-R375 WeakPolarHBondContact O-CA 3.49Å; V171-G376 PolarHBondContact N-O 3.37Å; V171-G376 VanDerWaalsContact N-O 3.12Å; V171-G376 PolarHBondContact O-N 2.76Å
172	Y	97.8	Very high	94.3	Very high	72 Å²	72	38.5 Å²	38.5	28%	0.282	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.3	174.8	179.3	-126.3	0	0	0	111.1	S174 S190 I374 R375	Y172-S174 WeakPolarHBondContact OH-CB 3.38Å; Y172-S190 PolarHBondContact N-OG 3.37Å; Y172-S190 PolarHBondContact O-OG 3.41Å; Y172-I374 WeakPolarHBondContact CA-O 3.21Å; Y172-R375 HydrophobicContact CD2-CG 3.91Å; Y172-R375 HydrophobicContact CE2-CG 4.42Å; Y172-R375 VanDerWaalsContact CE2-NH2 3.25Å
173	Y	97.5	Very high	94.5	Very high	9 Å²	9	39 Å²	39	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.1	166.7	-64.4	-90.9	0	0	0	109	V171 M175 L188 S190 S198 Y199 L200 L230 S373 I374	V171-Y173 HydrophobicContact CG1-CD2 3.91Å; V171-Y173 HydrophobicContact CG1-CE2 3.62Å; Y173-M175 HydrophobicContact CG-CE 4.39Å; Y173-L188 HydrophobicContact CD1-CB 4.02Å; Y173-L188 HydrophobicContact CD1-CD1 4.49Å; Y173-L188 HydrophobicContact CE1-CB 3.82Å; Y173-S190 PolarHBondContact OH-N 2.95Å; Y173-S198 VanDerWaalsContact CE2-OG 3.32Å; Y173-S198 WeakPolarHBondContact CE2-OG 3.42Å; Y173-S198 PolarHBondContact OH-O 3.06Å; Y173-S198 PolarHBondContact OH-OG 2.94Å; Y173-Y199 WeakPolarHBondContact OH-CA 3.31Å; Y173-Y199 PolarHBondContact OH-N 2.71Å; Y173-L200 HydrophobicContact CD1-CD1 3.82Å; Y173-L200 HydrophobicContact CD1-CG 4.19Å; Y173-L200 HydrophobicContact CE1-CD1 4Å; Y173-L200 HydrophobicContact CE1-CG 3.87Å; Y173-L200 HydrophobicContact CE2-CG 4.4Å; Y173-L200 HydrophobicContact CG-CD1 4.17Å; Y173-L230 HydrophobicContact CD2-CD1 4.31Å; Y173-L230 HydrophobicContact CE2-CD1 3.43Å; Y173-L230 VanDerWaalsContact CE2-CD1 3.43Å; Y173-S373 CarbonylContact O-C 3.57Å; Y173-S373 WeakPolarHBondContact O-CA 3.42Å; Y173-S373 WeakPolarHBondContact O-CB 3.49Å; Y173-I374 HydrophobicContact CD2-CB 4.08Å; Y173-I374 HydrophobicContact CD2-CD1 4.19Å; Y173-I374 PolarHBondContact N-O 3.11Å; Y173-I374 PolarHBondContact O-N 2.88Å
174	S	95	Very high	94.6	Very high	19 Å²	19	41.1 Å²	41.1	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.9	167.7	164.3	0	0	0	0	108.3	Y172 K176 K178	Y172-S174 WeakPolarHBondContact OH-CB 3.38Å; S174-K176 WeakPolarHBondContact OG-CG 3.43Å; S174-K178 WeakPolarHBondContact O-CE 3.03Å
175	M	95.2	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.			trans	-84.7	-17.2	-178.8	-55.8	-45.9	162.9	0	0	112.5	Y173 K178 L188 L200 F214 K218 M220 L371 Y372	Y173-M175 HydrophobicContact CG-CE 4.39Å; M175-K178 WeakPolarHBondContact O-CB 3.42Å; M175-K178 PolarHBondContact O-N 2.93Å; M175-L188 HydrophobicContact CE-CD1 4.14Å; M175-L188 HydrophobicContact SD-CD1 3.64Å; M175-L200 HydrophobicContact CE-CD1 3.75Å; M175-F214 HydrophobicContact CB-CD1 4.32Å; M175-F214 HydrophobicContact CB-CE1 3.86Å; M175-F214 HydrophobicContact CG-CE1 4.15Å; M175-F214 HydrophobicContact SD-CE1 3.73Å; M175-F214 HydrophobicContact SD-CZ 4.11Å; M175-K218 CarbonylContact C-O 3.28Å; M175-M220 HydrophobicContact CB-CB 4.49Å; M175-M220 HydrophobicContact CE-CE 4.24Å; M175-M220 HydrophobicContact CG-CB 4.04Å; M175-M220 HydrophobicContact SD-CB 4.37Å; M175-L371 HydrophobicContact CE-CD2 3.74Å; M175-L371 HydrophobicContact CE-CG 4.09Å; M175-L371 HydrophobicContact CG-CG 4.49Å; M175-L371 WeakPolarHBondContact CG-O 3.16Å; M175-Y372 WeakPolarHBondContact CB-O 3.36Å; M175-Y372 WeakPolarHBondContact CG-O 3.34Å; M175-Y372 PolarHBondContact N-O 3.06Å
176	K	92.3	Very high	94.6	Very high	10 Å²	10	39.3 Å²	39.3	4%	0.043	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	144.5	175.8	89.9	-166.9	168.6	168.7	0	110.3	D131 S174 K178 G217 K218 P395	D131-K176 IonicContact OD1-NZ 3.79Å; D131-K176 PolarHBondContact OD1-NZ 3.2Å; D131-K176 WeakPolarHBondContact OD2-CE 3.11Å; D131-K176 IonicContact OD2-NZ 2.7Å; D131-K176 PolarHBondContact OD2-NZ 3.32Å; S174-K176 WeakPolarHBondContact OG-CG 3.43Å; K176-K178 VanDerWaalsContact C-N 3.3Å; K176-K178 PolarHBondContact O-N 2.97Å; K176-G217 CarbonylContact C-O 3.49Å; K176-G217 WeakPolarHBondContact CA-O 3.36Å; K176-K218 WeakPolarHBondContact CA-O 3.43Å; K176-K218 PolarHBondContact N-O 2.72Å; K176-K218 VanDerWaalsContact N-O 3.16Å; K176-P395 HydrophobicContact CB-CB 3.9Å
177	G	90.8	Very high	94.1	Very high	13 Å²	13	43.7 Å²	43.7	13%	0.134	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-1.5	177.5	0	0	0	0	0	115.1	T127 G217	T127-G177 WeakPolarHBondContact CB-O 3.48Å; G177-G217 PolarHBondContact N-O 3.03Å
178	K	93.2	Very high	94	Very high	49 Å²	49	41 Å²	41	21%	0.213	22%	0.219	C	C	.	.			trans	-102.1	155.4	-174.4	-62.2	-174.6	-178.6	-58.1	0	112.7	S174 M175 K176 D182 I185 L188 F214	S174-K178 WeakPolarHBondContact O-CE 3.03Å; M175-K178 WeakPolarHBondContact O-CB 3.42Å; M175-K178 PolarHBondContact O-N 2.93Å; K176-K178 VanDerWaalsContact C-N 3.3Å; K176-K178 PolarHBondContact O-N 2.97Å; K178-D182 WeakPolarHBondContact CA-OD2 3.4Å; K178-I185 HydrophobicContact CB-CD1 3.86Å; K178-I185 HydrophobicContact CD-CD1 3.73Å; K178-I185 HydrophobicContact CG-CD1 4.15Å; K178-L188 HydrophobicContact CD-CD1 4.44Å; K178-L188 HydrophobicContact CD-CD2 4.13Å; K178-F214 HydrophobicContact CB-CB 4.34Å; K178-F214 HydrophobicContact CB-CD1 3.49Å; K178-F214 VanDerWaalsContact CB-CD1 3.49Å; K178-F214 HydrophobicContact CB-CE1 3.88Å; K178-F214 HydrophobicContact CB-CG 3.85Å; K178-F214 HydrophobicContact CD-CD1 4.34Å; K178-F214 HydrophobicContact CD-CE1 3.82Å; K178-F214 HydrophobicContact CD-CZ 4.22Å; K178-F214 HydrophobicContact CG-CD1 4.47Å; K178-F214 HydrophobicContact CG-CE1 4.43Å; K178-F214 WeakPolarHBondContact O-CB 3.28Å
179	T	92.8	Very high	94	Very high	18 Å²	18	39.9 Å²	39.9	11%	0.11	21%	0.214	C	C	.	.			trans	-134.2	158.8	174.8	83.2	0	0	0	0	111.1	Q109 S181 D182 I185	Q109-T179 PolarHBondContact NE2-OG1 3.16Å; T179-S181 PolarHBondContact O-N 2.93Å; T179-S181 VanDerWaalsContact O-N 3.09Å; T179-S181 PolarHBondContact OG1-N 3.41Å; T179-S181 VanDerWaalsContact OG1-N 3.17Å; T179-D182 PolarHBondContact N-OD2 2.71Å; T179-D182 PolarHBondContact O-N 3.02Å; T179-D182 VanDerWaalsContact O-N 3.14Å; T179-D182 PolarHBondContact OG1-N 3.47Å; T179-D182 PolarHBondContact OG1-OD1 3.24Å; T179-I185 WeakPolarHBondContact O-CG1 3.3Å
180	N	93.8	Very high	94	Very high	44 Å²	44	39.2 Å²	39.2	24%	0.235	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.5	173.8	-79.3	-12.2	0	0	0	114	L208 N209 N212 G213 F214	N180-L208 HydrophobicContact CB-CB 4.35Å; N180-N209 PolarHBondContact ND2-N 2.85Å; N180-N209 PolarHBondContact ND2-O 2.86Å; N180-N212 PolarHBondContact ND2-O 3.22Å; N180-N212 VanDerWaalsContact ND2-O 3.11Å; N180-G213 WeakPolarHBondContact OD1-CA 3.45Å; N180-F214 PolarHBondContact OD1-N 2.72Å
181	S	92.4	Very high	94	Very high	42 Å²	42	43.3 Å²	43.3	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-7.5	178	-56.3	0	0	0	0	113.1	Q109 L110 T179	Q109-S181 CarbonylContact C-O 3.58Å; Q109-S181 WeakPolarHBondContact CA-O 3.39Å; L110-S181 PolarHBondContact N-O 3.46Å; T179-S181 PolarHBondContact O-N 2.93Å; T179-S181 VanDerWaalsContact O-N 3.09Å; T179-S181 PolarHBondContact OG1-N 3.41Å; T179-S181 VanDerWaalsContact OG1-N 3.17Å
182	D	93.7	Very high	93.9	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.08	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-66.7	139	-177.2	-57.7	-12.3	0	0	0	110.6	T107 D108 Q109 K178 T179 G184 I185	T107-D182 HydrophobicContact CG2-CB 4.14Å; D108-D182 CarbonylContact O-C 3.55Å; Q109-D182 PolarHBondContact NE2-OD1 2.73Å; K178-D182 WeakPolarHBondContact CA-OD2 3.4Å; T179-D182 PolarHBondContact N-OD2 2.71Å; T179-D182 PolarHBondContact O-N 3.02Å; T179-D182 VanDerWaalsContact O-N 3.14Å; T179-D182 PolarHBondContact OG1-N 3.47Å; T179-D182 PolarHBondContact OG1-OD1 3.24Å; D182-G184 PolarHBondContact O-N 3.14Å; D182-I185 HydrophobicContact CB-CB 4.06Å; D182-I185 HydrophobicContact CB-CD1 4.17Å; D182-I185 HydrophobicContact CB-CG1 4.42Å; D182-I185 WeakPolarHBondContact O-CB 3.35Å; D182-I185 WeakPolarHBondContact O-CG2 3.33Å; D182-I185 PolarHBondContact O-N 3.44Å
183	K	92.9	Very high	93.8	Very high	112 Å²	112	49.8 Å²	49.8	49%	0.487	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	129.5	-180	-176.5	178	179	-178.1	0	110.6	T107 D108 L110 I185	T107-K183 HydrophobicContact CG2-CB 4.24Å; T107-K183 WeakPolarHBondContact CG2-O 3.35Å; D108-K183 HydrophobicContact CB-CB 4.12Å; D108-K183 HydrophobicContact CB-CD 3.99Å; D108-K183 VanDerWaalsContact O-CB 3.29Å; D108-K183 WeakPolarHBondContact O-CB 3.42Å; D108-K183 PolarHBondContact O-N 2.81Å; D108-K183 IonicContact OD2-NZ 3.84Å; D108-K183 PolarHBondContact OD2-NZ 3.27Å; L110-K183 HydrophobicContact CD1-CB 4.39Å; L110-K183 HydrophobicContact CD1-CG 4.31Å; L110-K183 HydrophobicContact CG-CB 4.3Å; K183-I185 PolarHBondContact O-N 2.67Å
184	G	91.4	Very high	93.8	Very high	52 Å²	52	52.7 Å²	52.7	54%	0.536	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	4.4	-179.3	0	0	0	0	0	114.7	D182 E186 N187	D182-G184 PolarHBondContact O-N 3.14Å; G184-E186 PolarHBondContact O-N 3.09Å; G184-N187 CarbonylContact O-C 3.58Å; G184-N187 PolarHBondContact O-N 3.17Å
185	I	93	Very high	93.9	Very high	13 Å²	13	56.5 Å²	56.5	7%	0.067	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.5	-179.3	-165.2	70.3	0	0	0	113.8	K178 T179 D182 K183 N187 L188 L208 F214	K178-I185 HydrophobicContact CB-CD1 3.86Å; K178-I185 HydrophobicContact CD-CD1 3.73Å; K178-I185 HydrophobicContact CG-CD1 4.15Å; T179-I185 WeakPolarHBondContact O-CG1 3.3Å; D182-I185 HydrophobicContact CB-CB 4.06Å; D182-I185 HydrophobicContact CB-CD1 4.17Å; D182-I185 HydrophobicContact CB-CG1 4.42Å; D182-I185 WeakPolarHBondContact O-CB 3.35Å; D182-I185 WeakPolarHBondContact O-CG2 3.33Å; D182-I185 PolarHBondContact O-N 3.44Å; K183-I185 PolarHBondContact O-N 2.67Å; I185-N187 VanDerWaalsContact C-N 3.26Å; I185-N187 PolarHBondContact O-N 3.39Å; I185-L188 HydrophobicContact CD1-CD2 4.09Å; I185-L208 HydrophobicContact CG2-CD1 3.46Å; I185-L208 VanDerWaalsContact CG2-CD1 3.46Å; I185-F214 HydrophobicContact CD1-CD2 3.75Å; I185-F214 HydrophobicContact CD1-CE1 4.46Å; I185-F214 HydrophobicContact CD1-CE2 3.49Å; I185-F214 VanDerWaalsContact CD1-CE2 3.49Å; I185-F214 HydrophobicContact CD1-CG 4.4Å; I185-F214 HydrophobicContact CD1-CZ 3.88Å; I185-F214 HydrophobicContact CG1-CD2 3.52Å; I185-F214 HydrophobicContact CG1-CE2 3.34Å; I185-F214 HydrophobicContact CG1-CZ 4.21Å
186	E	90.2	Very high	94	Very high	104 Å²	104	61.7 Å²	61.7	49%	0.486	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.4	176.3	-78.3	-154.4	-163.3	0	0	114.5	G184 R202 L208	G184-E186 PolarHBondContact O-N 3.09Å; E186-R202 VanDerWaalsContact CD-NH2 3.35Å; E186-R202 PolarHBondContact O-NE 3.09Å; E186-R202 PolarHBondContact O-NH2 2.81Å; E186-R202 IonicContact OE2-CZ 3.24Å; E186-R202 IonicContact OE2-NH1 3.74Å; E186-R202 IonicContact OE2-NH2 3.67Å; E186-R202 PolarHBondContact OE2-NH2 3.17Å; E186-L208 HydrophobicContact CG-CD1 3.86Å
187	N	86.5	Confident	94.3	Very high	104 Å²	104	62.6 Å²	62.6	56%	0.556	34%	0.336	S	S	*	.	S	Bend	trans	-135.5	80	-176.8	-62.1	-42	0	0	0	109.7	G184 I185 E189	G184-N187 CarbonylContact O-C 3.58Å; G184-N187 PolarHBondContact O-N 3.17Å; I185-N187 VanDerWaalsContact C-N 3.26Å; I185-N187 PolarHBondContact O-N 3.39Å; N187-E189 PolarHBondContact O-N 3.33Å
188	L	95.2	Very high	94.6	Very high	21 Å²	21	62 Å²	62	11%	0.11	33%	0.33	C	S	.	.			trans	-68.5	130.3	177.4	-69.5	-179.7	0	0	0	110.9	Y173 M175 K178 I185 Y199 L200 F214	Y173-L188 HydrophobicContact CD1-CB 4.02Å; Y173-L188 HydrophobicContact CD1-CD1 4.49Å; Y173-L188 HydrophobicContact CE1-CB 3.82Å; M175-L188 HydrophobicContact CE-CD1 4.14Å; M175-L188 HydrophobicContact SD-CD1 3.64Å; K178-L188 HydrophobicContact CD-CD1 4.44Å; K178-L188 HydrophobicContact CD-CD2 4.13Å; I185-L188 HydrophobicContact CD1-CD2 4.09Å; L188-Y199 CarbonylContact O-C 3.42Å; L188-Y199 VanDerWaalsContact O-CA 3.29Å; L188-Y199 WeakPolarHBondContact O-CA 3.43Å; L188-L200 HydrophobicContact CB-CB 4.38Å; L188-L200 HydrophobicContact CB-CD1 4.25Å; L188-L200 HydrophobicContact CD1-CD1 4.17Å; L188-L200 PolarHBondContact O-N 2.9Å; L188-F214 HydrophobicContact CD1-CZ 3.82Å
189	E	96.4	Very high	94.8	Very high	78 Å²	78	62.3 Å²	62.3	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.2	178.5	-63	-172.2	137.1	0	0	110.7	N187 Y191 R196	N187-E189 PolarHBondContact O-N 3.33Å; E189-Y191 HydrophobicContact CB-CD2 4.37Å; E189-Y191 HydrophobicContact CB-CE2 3.62Å; E189-Y191 PolarHBondContact OE2-OH 2.91Å; E189-R196 HydrophobicContact CB-CG 4.39Å; E189-R196 VanDerWaalsContact OE1-CD 3.26Å; E189-R196 WeakPolarHBondContact OE1-CD 3.49Å; E189-R196 IonicContact OE1-CZ 2.92Å; E189-R196 IonicContact OE1-NH1 3.96Å; E189-R196 PolarHBondContact OE1-NH1 3.31Å; E189-R196 VanDerWaalsContact OE1-NH1 3.08Å
190	S	97.3	Very high	95.1	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.3	172.3	-157.8	0	0	0	0	110.1	Y172 Y173 R196 T197 S198	Y172-S190 PolarHBondContact N-OG 3.37Å; Y172-S190 PolarHBondContact O-OG 3.41Å; Y173-S190 PolarHBondContact OH-N 2.95Å; S190-R196 CarbonylContact O-C 3.41Å; S190-R196 WeakPolarHBondContact O-CA 3.47Å; S190-R196 WeakPolarHBondContact O-CG 3.19Å; S190-T197 PolarHBondContact O-N 2.88Å; S190-T197 PolarHBondContact O-OG1 3.49Å; S190-S198 WeakPolarHBondContact CB-OG 3.43Å; S190-S198 PolarHBondContact N-O 2.98Å
191	Y	97.4	Very high	95.2	Very high	129 Å²	129	63.5 Å²	63.5	51%	0.506	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.3	-177.7	-68	-100	0	0	0	110	E189 V195 R196	E189-Y191 HydrophobicContact CB-CD2 4.37Å; E189-Y191 HydrophobicContact CB-CE2 3.62Å; E189-Y191 PolarHBondContact OE2-OH 2.91Å; Y191-V195 CarbonylContact C-O 3.55Å; Y191-V195 VanDerWaalsContact CA-O 3.25Å; Y191-V195 WeakPolarHBondContact CA-O 3.15Å; Y191-R196 HydrophobicContact CD1-CB 4.01Å; Y191-R196 HydrophobicContact CE1-CB 3.7Å; Y191-R196 HydrophobicContact CE1-CG 4.29Å
192	Y	97.6	Very high	95.4	Very high	48 Å²	48	63.6 Å²	63.6	19%	0.188	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.2	172.1	180	-94.8	0	0	0	108.8	C169 K170 G194 V195	C169-Y192 WeakPolarHBondContact O-CD2 3.33Å; K170-Y192 HydrophobicContact CD-CD1 3.69Å; K170-Y192 HydrophobicContact CD-CD2 3.99Å; K170-Y192 HydrophobicContact CD-CE1 3.83Å; K170-Y192 HydrophobicContact CD-CE2 4.08Å; K170-Y192 HydrophobicContact CD-CG 3.79Å; K170-Y192 PolarHBondContact NZ-OH 3.41Å; Y192-G194 PolarHBondContact O-N 2.89Å; Y192-G194 VanDerWaalsContact O-N 3.11Å; Y192-V195 PolarHBondContact N-O 3.5Å; Y192-V195 PolarHBondContact O-N 2.86Å
193	E	96.1	Very high	95.6	Very high	160 Å²	160	64.2 Å²	64.2	75%	0.748	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36	-175.8	-68.7	171.5	-167.3	0	0	112.9	V195	E193-V195 VanDerWaalsContact C-N 3.32Å; E193-V195 PolarHBondContact O-N 3.41Å
194	G	95.9	Very high	95.7	Very high	69 Å²	69	63.3 Å²	63.3	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.7	178.9	0	0	0	0	0	115.6	Y192	Y192-G194 PolarHBondContact O-N 2.89Å; Y192-G194 VanDerWaalsContact O-N 3.11Å
195	V	97.5	Very high	95.9	Very high	99 Å²	99	65.1 Å²	65.1	60%	0.6	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.6	177.9	-177.7	0	0	0	0	109.9	Y191 Y192 E193 T197	Y191-V195 CarbonylContact C-O 3.55Å; Y191-V195 VanDerWaalsContact CA-O 3.25Å; Y191-V195 WeakPolarHBondContact CA-O 3.15Å; Y192-V195 PolarHBondContact N-O 3.5Å; Y192-V195 PolarHBondContact O-N 2.86Å; E193-V195 VanDerWaalsContact C-N 3.32Å; E193-V195 PolarHBondContact O-N 3.41Å; V195-T197 PolarHBondContact O-N 3.19Å
196	R	97.5	Very high	96.1	Very high	109 Å²	109	64.6 Å²	64.6	41%	0.411	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124.3	174.4	-167.8	-174.2	74.8	-173.3	5.5	109.6	E189 S190 Y191 D232	E189-R196 HydrophobicContact CB-CG 4.39Å; E189-R196 VanDerWaalsContact OE1-CD 3.26Å; E189-R196 WeakPolarHBondContact OE1-CD 3.49Å; E189-R196 IonicContact OE1-CZ 2.92Å; E189-R196 IonicContact OE1-NH1 3.96Å; E189-R196 PolarHBondContact OE1-NH1 3.31Å; E189-R196 VanDerWaalsContact OE1-NH1 3.08Å; S190-R196 CarbonylContact O-C 3.41Å; S190-R196 WeakPolarHBondContact O-CA 3.47Å; S190-R196 WeakPolarHBondContact O-CG 3.19Å; Y191-R196 HydrophobicContact CD1-CB 4.01Å; Y191-R196 HydrophobicContact CE1-CB 3.7Å; Y191-R196 HydrophobicContact CE1-CG 4.29Å; R196-D232 IonicContact CZ-OD2 3.19Å; R196-D232 IonicContact NE-OD2 3.65Å; R196-D232 IonicContact NH2-OD2 2.82Å; R196-D232 PolarHBondContact NH2-OD2 3.43Å
197	T	98.1	Very high	96.3	Very high	29 Å²	29	65.7 Å²	65.7	18%	0.178	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-27.7	-179	51.6	0	0	0	0	113	K170 S190 V195	K170-T197 WeakPolarHBondContact O-CB 3.35Å; K170-T197 VanDerWaalsContact O-CG2 3.26Å; K170-T197 WeakPolarHBondContact O-CG2 3.5Å; K170-T197 PolarHBondContact O-OG1 3.08Å; S190-T197 PolarHBondContact O-N 2.88Å; S190-T197 PolarHBondContact O-OG1 3.49Å; V195-T197 PolarHBondContact O-N 3.19Å
198	S	98.3	Very high	96.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	166.5	179.2	62.7	0	0	0	0	112.3	V171 Y173 S190 K231	V171-S198 WeakPolarHBondContact CG1-OG 3.33Å; Y173-S198 VanDerWaalsContact CE2-OG 3.32Å; Y173-S198 WeakPolarHBondContact CE2-OG 3.42Å; Y173-S198 PolarHBondContact OH-O 3.06Å; Y173-S198 PolarHBondContact OH-OG 2.94Å; S190-S198 WeakPolarHBondContact CB-OG 3.43Å; S190-S198 PolarHBondContact N-O 2.98Å; S198-K231 VanDerWaalsContact CA-O 3.24Å; S198-K231 WeakPolarHBondContact CA-O 3.39Å; S198-K231 WeakPolarHBondContact CB-O 3.32Å
199	Y	97.7	Very high	96.6	Very high	56 Å²	56	64.5 Å²	64.5	22%	0.22	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.9	167	71.9	-84.6	0	0	0	111.6	Y173 L188 E201 K231	Y173-Y199 WeakPolarHBondContact OH-CA 3.31Å; Y173-Y199 PolarHBondContact OH-N 2.71Å; L188-Y199 CarbonylContact O-C 3.42Å; L188-Y199 VanDerWaalsContact O-CA 3.29Å; L188-Y199 WeakPolarHBondContact O-CA 3.43Å; Y199-E201 HydrophobicContact CD2-CB 4.33Å; Y199-E201 HydrophobicContact CE2-CB 3.82Å; Y199-E201 HydrophobicContact CE2-CG 4.44Å; Y199-K231 HydrophobicContact CD1-CB 3.67Å; Y199-K231 HydrophobicContact CD2-CB 4.21Å; Y199-K231 HydrophobicContact CD2-CG 4.43Å; Y199-K231 HydrophobicContact CE1-CB 3.27Å; Y199-K231 HydrophobicContact CE1-CG 4.04Å; Y199-K231 HydrophobicContact CE2-CB 3.86Å; Y199-K231 HydrophobicContact CE2-CG 3.81Å; Y199-K231 HydrophobicContact CG-CB 4.12Å; Y199-K231 PolarHBondContact N-O 2.89Å; Y199-K231 PolarHBondContact O-N 3.24Å
200	L	97.8	Very high	96.4	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.3	173.8	-70.2	176.8	0	0	0	110.1	Y173 M175 L188 M220 V228 T229 L230 I374	Y173-L200 HydrophobicContact CD1-CD1 3.82Å; Y173-L200 HydrophobicContact CD1-CG 4.19Å; Y173-L200 HydrophobicContact CE1-CD1 4Å; Y173-L200 HydrophobicContact CE1-CG 3.87Å; Y173-L200 HydrophobicContact CE2-CG 4.4Å; Y173-L200 HydrophobicContact CG-CD1 4.17Å; M175-L200 HydrophobicContact CE-CD1 3.75Å; L188-L200 HydrophobicContact CB-CB 4.38Å; L188-L200 HydrophobicContact CB-CD1 4.25Å; L188-L200 HydrophobicContact CD1-CD1 4.17Å; L188-L200 PolarHBondContact O-N 2.9Å; L200-M220 HydrophobicContact CD1-CE 4.4Å; L200-V228 HydrophobicContact CD2-CB 4.47Å; L200-V228 HydrophobicContact CD2-CG2 4.23Å; L200-T229 WeakPolarHBondContact CA-O 3.17Å; L200-L230 HydrophobicContact CD2-CB 4.12Å; L200-L230 HydrophobicContact CD2-CD1 3.95Å; L200-I374 HydrophobicContact CD2-CD1 4.05Å
201	E	96.9	Very high	96.2	Very high	82 Å²	82	73 Å²	73	38%	0.383	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.8	174.3	-173.3	175	-104.2	0	0	110.4	Y199 V228 T229 K231	Y199-E201 HydrophobicContact CD2-CB 4.33Å; Y199-E201 HydrophobicContact CE2-CB 3.82Å; Y199-E201 HydrophobicContact CE2-CG 4.44Å; E201-V228 CarbonylContact O-C 3.55Å; E201-V228 VanDerWaalsContact O-CA 3.28Å; E201-V228 WeakPolarHBondContact O-CA 2.62Å; E201-T229 PolarHBondContact N-O 3.4Å; E201-T229 PolarHBondContact O-N 3.44Å; E201-K231 HydrophobicContact CB-CG 3.88Å; E201-K231 WeakPolarHBondContact OE2-CE 3.48Å; E201-K231 IonicContact OE2-NZ 2.71Å
202	R	96.4	Very high	96.1	Very high	45 Å²	45	67.2 Å²	67.2	17%	0.17	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	144.3	174.6	-75.1	-179.7	-62.5	134.7	5.3	111.4	E186 F206 V228	E186-R202 VanDerWaalsContact CD-NH2 3.35Å; E186-R202 PolarHBondContact O-NE 3.09Å; E186-R202 PolarHBondContact O-NH2 2.81Å; E186-R202 IonicContact OE2-CZ 3.24Å; E186-R202 IonicContact OE2-NH1 3.74Å; E186-R202 IonicContact OE2-NH2 3.67Å; E186-R202 PolarHBondContact OE2-NH2 3.17Å; R202-F206 HydrophobicContact CB-CB 4.17Å; R202-F206 HydrophobicContact CB-CD1 4.4Å; R202-F206 HydrophobicContact CB-CG 4.45Å; R202-F206 HydrophobicContact CG-CB 4.48Å; R202-F206 HydrophobicContact CG-CD1 4.01Å; R202-F206 HydrophobicContact CG-CE1 4.45Å; R202-F206 HydrophobicContact CG-CG 4.24Å; R202-F206 PolarHBondContact NH1-O 3.19Å; R202-V228 HydrophobicContact CG-CG1 3.98Å
203	S	97	Very high	96	Very high	27 Å²	27	65 Å²	65	19%	0.189	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-58.8	146.7	164.9	67	0	0	0	0	110.6	N205 F206 S227	S203-N205 WeakPolarHBondContact CB-OD1 3.42Å; S203-N205 PolarHBondContact O-N 2.83Å; S203-N205 PolarHBondContact OG-OD1 3.23Å; S203-F206 WeakPolarHBondContact O-CB 3.29Å; S203-F206 PolarHBondContact O-N 2.85Å; S203-S227 PolarHBondContact N-O 3.45Å; S203-S227 PolarHBondContact OG-N 3.08Å; S203-S227 VanDerWaalsContact OG-N 3.15Å; S203-S227 PolarHBondContact OG-O 3.36Å
204	A	95.7	Very high	96	Very high	93 Å²	93	57.8 Å²	57.8	77%	0.769	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.8	-172.4	0	0	0	0	0	114.4
205	N	95.9	Very high	95.7	Very high	91 Å²	91	58.1 Å²	58.1	49%	0.487	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.1	178.2	67	-25.1	0	0	0	114.4	S203 K207 G225	S203-N205 WeakPolarHBondContact CB-OD1 3.42Å; S203-N205 PolarHBondContact O-N 2.83Å; S203-N205 PolarHBondContact OG-OD1 3.23Å; N205-K207 PolarHBondContact O-N 2.87Å; N205-G225 PolarHBondContact ND2-O 2.95Å
206	F	96.2	Very high	95.2	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	29%	0.291	C	S	.	.			trans	-86.4	89.9	176.6	-170.7	166.9	0	0	0	110.3	R202 S203 L208 N212 M220 I222 K226 V228	R202-F206 HydrophobicContact CB-CB 4.17Å; R202-F206 HydrophobicContact CB-CD1 4.4Å; R202-F206 HydrophobicContact CB-CG 4.45Å; R202-F206 HydrophobicContact CG-CB 4.48Å; R202-F206 HydrophobicContact CG-CD1 4.01Å; R202-F206 HydrophobicContact CG-CE1 4.45Å; R202-F206 HydrophobicContact CG-CG 4.24Å; R202-F206 PolarHBondContact NH1-O 3.19Å; S203-F206 WeakPolarHBondContact O-CB 3.29Å; S203-F206 PolarHBondContact O-N 2.85Å; F206-L208 HydrophobicContact CE2-CD2 3.98Å; F206-N212 HydrophobicContact CD2-CB 3.88Å; F206-N212 HydrophobicContact CE2-CB 3.47Å; F206-N212 VanDerWaalsContact CE2-CB 3.47Å; F206-N212 HydrophobicContact CZ-CB 4.35Å; F206-M220 HydrophobicContact CE1-SD 4.31Å; F206-M220 HydrophobicContact CZ-CG 4.08Å; F206-M220 HydrophobicContact CZ-SD 4.11Å; F206-I222 HydrophobicContact CD1-CG2 4.25Å; F206-I222 HydrophobicContact CE1-CB 4.17Å; F206-I222 HydrophobicContact CE1-CG1 3.85Å; F206-I222 HydrophobicContact CE1-CG2 3.88Å; F206-I222 HydrophobicContact CZ-CG1 4.23Å; F206-K226 HydrophobicContact CB-CB 4.09Å; F206-K226 HydrophobicContact CB-CD 4.11Å; F206-K226 HydrophobicContact CB-CG 4.26Å; F206-K226 HydrophobicContact CD1-CB 4.17Å; F206-K226 HydrophobicContact CD2-CD 4.25Å; F206-K226 HydrophobicContact CG-CB 4.21Å; F206-K226 HydrophobicContact CG-CD 4.12Å; F206-V228 HydrophobicContact CD1-CG1 4.01Å; F206-V228 HydrophobicContact CE1-CG1 3.7Å
207	K	95.1	Very high	94.7	Very high	128 Å²	128	51.4 Å²	51.4	56%	0.557	27%	0.274	S	S	*	.			trans	-94.2	137.6	170.7	-55.1	-57.2	-179.6	-176.9	0	111	N205	N205-K207 PolarHBondContact O-N 2.87Å
208	L	94.6	Very high	94.3	Very high	35 Å²	35	53.7 Å²	53.7	18%	0.183	28%	0.281	C	S	.	.			trans	-72.5	124.6	173.7	-56.3	-178.9	0	0	0	108.7	N180 I185 E186 F206	N180-L208 HydrophobicContact CB-CB 4.35Å; I185-L208 HydrophobicContact CG2-CD1 3.46Å; I185-L208 VanDerWaalsContact CG2-CD1 3.46Å; E186-L208 HydrophobicContact CG-CD1 3.86Å; F206-L208 HydrophobicContact CE2-CD2 3.98Å
209	N	94	Very high	94.1	Very high	64 Å²	64	53.7 Å²	53.7	34%	0.342	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-163.4	-168.4	-176.4	57.6	33.3	0	0	0	110.2	N180 Y211 N212 L215	N180-N209 PolarHBondContact ND2-N 2.85Å; N180-N209 PolarHBondContact ND2-O 2.86Å; N209-Y211 PolarHBondContact O-N 2.89Å; N209-Y211 WeakPolarHBondContact OD1-CA 3.31Å; N209-Y211 PolarHBondContact OD1-N 3.12Å; N209-N212 PolarHBondContact N-O 2.96Å; N209-N212 PolarHBondContact O-N 3.44Å; N209-N212 PolarHBondContact OD1-N 2.89Å; N209-N212 PolarHBondContact OD1-ND2 2.91Å; N209-L215 WeakPolarHBondContact O-CD2 3.23Å
210	A	90.9	Very high	94.1	Very high	80 Å²	80	51.3 Å²	51.3	66%	0.661	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-12	179.3	0	0	0	0	0	115
211	Y	92.9	Very high	94	Very high	182 Å²	182	51.7 Å²	51.7	71%	0.714	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-14.4	-175.9	-52.5	-72.5	0	0	0	114.1	N209 T221	N209-Y211 PolarHBondContact O-N 2.89Å; N209-Y211 WeakPolarHBondContact OD1-CA 3.31Å; N209-Y211 PolarHBondContact OD1-N 3.12Å; Y211-T221 WeakPolarHBondContact O-CG2 3.45Å
212	N	95.5	Very high	94	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.048	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-140.7	148	-178.1	-45.6	-96.6	0	0	0	110.6	N180 F206 N209 T221 G223 K226	N180-N212 PolarHBondContact ND2-O 3.22Å; N180-N212 VanDerWaalsContact ND2-O 3.11Å; F206-N212 HydrophobicContact CD2-CB 3.88Å; F206-N212 HydrophobicContact CE2-CB 3.47Å; F206-N212 VanDerWaalsContact CE2-CB 3.47Å; F206-N212 HydrophobicContact CZ-CB 4.35Å; N209-N212 PolarHBondContact N-O 2.96Å; N209-N212 PolarHBondContact O-N 3.44Å; N209-N212 PolarHBondContact OD1-N 2.89Å; N209-N212 PolarHBondContact OD1-ND2 2.91Å; N212-T221 CarbonylContact C-O 3.54Å; N212-T221 WeakPolarHBondContact CA-O 3.4Å; N212-G223 WeakPolarHBondContact OD1-CA 3.22Å; N212-G223 PolarHBondContact OD1-N 3.34Å; N212-K226 WeakPolarHBondContact OD1-CD 3.37Å; N212-K226 VanDerWaalsContact OD1-CE 3.23Å; N212-K226 WeakPolarHBondContact OD1-CE 3.47Å; N212-K226 PolarHBondContact OD1-NZ 3.15Å
213	G	96.4	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.4	-145.5	-175.4	0	0	0	0	0	112.5	N180 L215 M220 T221	N180-G213 WeakPolarHBondContact OD1-CA 3.45Å; G213-L215 PolarHBondContact O-N 2.7Å; G213-M220 CarbonylContact O-C 3.59Å; G213-M220 WeakPolarHBondContact O-CA 3.23Å; G213-T221 PolarHBondContact N-O 2.66Å; G213-T221 PolarHBondContact O-N 3.12Å
214	F	94.9	Very high	93.9	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.044	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	86.8	-169.7	-54.8	-89.4	0	0	0	110	M175 K178 N180 I185 L188 M220	M175-F214 HydrophobicContact CB-CD1 4.32Å; M175-F214 HydrophobicContact CB-CE1 3.86Å; M175-F214 HydrophobicContact CG-CE1 4.15Å; M175-F214 HydrophobicContact SD-CE1 3.73Å; M175-F214 HydrophobicContact SD-CZ 4.11Å; K178-F214 HydrophobicContact CB-CB 4.34Å; K178-F214 HydrophobicContact CB-CD1 3.49Å; K178-F214 VanDerWaalsContact CB-CD1 3.49Å; K178-F214 HydrophobicContact CB-CE1 3.88Å; K178-F214 HydrophobicContact CB-CG 3.85Å; K178-F214 HydrophobicContact CD-CD1 4.34Å; K178-F214 HydrophobicContact CD-CE1 3.82Å; K178-F214 HydrophobicContact CD-CZ 4.22Å; K178-F214 HydrophobicContact CG-CD1 4.47Å; K178-F214 HydrophobicContact CG-CE1 4.43Å; K178-F214 WeakPolarHBondContact O-CB 3.28Å; N180-F214 PolarHBondContact OD1-N 2.72Å; I185-F214 HydrophobicContact CD1-CD2 3.75Å; I185-F214 HydrophobicContact CD1-CE1 4.46Å; I185-F214 HydrophobicContact CD1-CE2 3.49Å; I185-F214 VanDerWaalsContact CD1-CE2 3.49Å; I185-F214 HydrophobicContact CD1-CG 4.4Å; I185-F214 HydrophobicContact CD1-CZ 3.88Å; I185-F214 HydrophobicContact CG1-CD2 3.52Å; I185-F214 HydrophobicContact CG1-CE2 3.34Å; I185-F214 HydrophobicContact CG1-CZ 4.21Å; L188-F214 HydrophobicContact CD1-CZ 3.82Å; F214-M220 HydrophobicContact CD1-CB 4.26Å; F214-M220 HydrophobicContact CE1-CB 3.77Å; F214-M220 HydrophobicContact CE1-CG 4.36Å; F214-M220 HydrophobicContact CE2-CG 4.4Å; F214-M220 HydrophobicContact CE2-SD 4.27Å; F214-M220 HydrophobicContact CZ-CB 3.96Å; F214-M220 HydrophobicContact CZ-CG 4.07Å; F214-M220 HydrophobicContact CZ-SD 3.89Å
215	L	91.3	Very high	93.9	Very high	75 Å²	75	44.9 Å²	44.9	39%	0.393	25%	0.248	S	C	.	.	S	Bend	trans	-92.1	-35	-169.3	-52.2	-177	0	0	0	113	N209 G213 T221	N209-L215 WeakPolarHBondContact O-CD2 3.23Å; G213-L215 PolarHBondContact O-N 2.7Å; L215-T221 HydrophobicContact CD1-CG2 4.2Å
216	D	85.7	Confident	93.9	Very high	63 Å²	63	42.5 Å²	42.5	34%	0.337	23%	0.234	S	C	.	.	S	Bend	trans	-111.7	-6.5	-174	64.3	-3.1	0	0	0	113.4	Q73 K218 G219	Q73-D216 PolarHBondContact NE2-O 3.48Å; D216-K218 VanDerWaalsContact C-N 3.25Å; D216-K218 PolarHBondContact O-N 3.25Å; D216-K218 WeakPolarHBondContact OD1-CA 3.49Å; D216-K218 PolarHBondContact OD1-N 2.74Å; D216-G219 PolarHBondContact OD1-N 3.31Å
217	G	86.7	Confident	94	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	24%	0.243	C	C	.	.	S	Bend	trans	75.3	9.4	-174.1	0	0	0	0	0	114.4	K176 G177	K176-G217 CarbonylContact C-O 3.49Å; K176-G217 WeakPolarHBondContact CA-O 3.36Å; G177-G217 PolarHBondContact N-O 3.03Å
218	K	90.2	Very high	94.1	Very high	77 Å²	77	37.8 Å²	37.8	34%	0.335	22%	0.217	S	C	.	.	S	Bend	trans	-109.3	-47.8	177.7	-58.8	-176.7	-176.2	-178.5	0	111.7	M175 K176 D216 Y372 P395 D396	M175-K218 CarbonylContact C-O 3.28Å; K176-K218 WeakPolarHBondContact CA-O 3.43Å; K176-K218 PolarHBondContact N-O 2.72Å; K176-K218 VanDerWaalsContact N-O 3.16Å; D216-K218 VanDerWaalsContact C-N 3.25Å; D216-K218 PolarHBondContact O-N 3.25Å; D216-K218 WeakPolarHBondContact OD1-CA 3.49Å; D216-K218 PolarHBondContact OD1-N 2.74Å; K218-Y372 HydrophobicContact CB-CD1 4.42Å; K218-Y372 HydrophobicContact CB-CE1 4.11Å; K218-P395 HydrophobicContact CB-CB 4.11Å; K218-P395 HydrophobicContact CB-CG 3.95Å; K218-P395 HydrophobicContact CD-CG 4.37Å; K218-P395 HydrophobicContact CG-CB 4.22Å; K218-P395 HydrophobicContact CG-CG 4.31Å; K218-D396 WeakPolarHBondContact CE-OD1 3.39Å; K218-D396 IonicContact NZ-OD1 2.64Å; K218-D396 PolarHBondContact NZ-OD1 3.06Å; K218-D396 IonicContact NZ-OD2 2.7Å
219	G	94.5	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.			trans	-134.2	164.5	-173	0	0	0	0	0	113.6	D216 L371	D216-G219 PolarHBondContact OD1-N 3.31Å; G219-L371 CarbonylContact C-O 3.53Å; G219-L371 WeakPolarHBondContact CA-O 3.3Å
220	M	96.8	Very high	94.5	Very high	7 Å²	7	34 Å²	34	3%	0.034	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	110.8	168.8	179.7	171.4	55.2	0	0	109.4	M175 L200 F206 G213 F214 I222 V228 I370 L371	M175-M220 HydrophobicContact CB-CB 4.49Å; M175-M220 HydrophobicContact CE-CE 4.24Å; M175-M220 HydrophobicContact CG-CB 4.04Å; M175-M220 HydrophobicContact SD-CB 4.37Å; L200-M220 HydrophobicContact CD1-CE 4.4Å; F206-M220 HydrophobicContact CE1-SD 4.31Å; F206-M220 HydrophobicContact CZ-CG 4.08Å; F206-M220 HydrophobicContact CZ-SD 4.11Å; G213-M220 CarbonylContact O-C 3.59Å; G213-M220 WeakPolarHBondContact O-CA 3.23Å; F214-M220 HydrophobicContact CD1-CB 4.26Å; F214-M220 HydrophobicContact CE1-CB 3.77Å; F214-M220 HydrophobicContact CE1-CG 4.36Å; F214-M220 HydrophobicContact CE2-CG 4.4Å; F214-M220 HydrophobicContact CE2-SD 4.27Å; F214-M220 HydrophobicContact CZ-CB 3.96Å; F214-M220 HydrophobicContact CZ-CG 4.07Å; F214-M220 HydrophobicContact CZ-SD 3.89Å; M220-I222 HydrophobicContact CE-CD1 4.18Å; M220-I222 HydrophobicContact CE-CG1 4.43Å; M220-I222 HydrophobicContact CG-CG1 4.31Å; M220-I222 PolarHBondContact O-N 2.8Å; M220-V228 HydrophobicContact CE-CB 4.39Å; M220-V228 HydrophobicContact CE-CG1 3.76Å; M220-V228 HydrophobicContact CE-CG2 3.88Å; M220-V228 HydrophobicContact SD-CG1 4.18Å; M220-I370 WeakPolarHBondContact O-CA 3.16Å; M220-L371 HydrophobicContact CE-CB 4.38Å; M220-L371 HydrophobicContact CE-CD2 3.7Å; M220-L371 PolarHBondContact N-O 2.9Å; M220-L371 PolarHBondContact O-N 2.89Å
221	T	97.2	Very high	94.9	Very high	13 Å²	13	32.4 Å²	32.4	8%	0.08	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.6	174	-62.6	0	0	0	0	110.4	Y211 N212 G213 L215 K368	Y211-T221 WeakPolarHBondContact O-CG2 3.45Å; N212-T221 CarbonylContact C-O 3.54Å; N212-T221 WeakPolarHBondContact CA-O 3.4Å; G213-T221 PolarHBondContact N-O 2.66Å; G213-T221 PolarHBondContact O-N 3.12Å; L215-T221 HydrophobicContact CD1-CG2 4.2Å; T221-K368 HydrophobicContact CG2-CD 4Å; T221-K368 HydrophobicContact CG2-CG 4.2Å
222	I	97	Very high	95.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	102.1	175.6	-46.5	-179.9	0	0	0	107.1	F206 M220 K226 V228 I362 K368 V369 L371	F206-I222 HydrophobicContact CD1-CG2 4.25Å; F206-I222 HydrophobicContact CE1-CB 4.17Å; F206-I222 HydrophobicContact CE1-CG1 3.85Å; F206-I222 HydrophobicContact CE1-CG2 3.88Å; F206-I222 HydrophobicContact CZ-CG1 4.23Å; M220-I222 HydrophobicContact CE-CD1 4.18Å; M220-I222 HydrophobicContact CE-CG1 4.43Å; M220-I222 HydrophobicContact CG-CG1 4.31Å; M220-I222 PolarHBondContact O-N 2.8Å; I222-K226 HydrophobicContact CG2-CB 3.98Å; I222-K226 WeakPolarHBondContact CG2-O 3.23Å; I222-V228 HydrophobicContact CD1-CG1 4.34Å; I222-V228 HydrophobicContact CD1-CG2 3.85Å; I222-I362 HydrophobicContact CD1-CG2 3.96Å; I222-K368 WeakPolarHBondContact O-CA 3.46Å; I222-V369 WeakPolarHBondContact CA-O 3.3Å; I222-V369 HydrophobicContact CB-CB 4.39Å; I222-V369 WeakPolarHBondContact CB-O 3.49Å; I222-V369 PolarHBondContact N-O 3.44Å; I222-V369 PolarHBondContact O-N 2.85Å; I222-L371 HydrophobicContact CD1-CB 4.36Å
223	G	95.5	Very high	95.1	Very high	10 Å²	10	28.5 Å²	28.5	10%	0.103	17%	0.166	C	C	.	.			trans	-65.3	158.4	177.5	0	0	0	0	0	112.6	N212 K226	N212-G223 WeakPolarHBondContact OD1-CA 3.22Å; N212-G223 PolarHBondContact OD1-N 3.34Å; G223-K226 VanDerWaalsContact O-CB 3.27Å; G223-K226 WeakPolarHBondContact O-CB 3.24Å; G223-K226 PolarHBondContact O-N 3.45Å; G223-K226 VanDerWaalsContact O-N 3.15Å
224	A	95.2	Very high	95.2	Very high	52 Å²	52	32 Å²	32	43%	0.43	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	144.1	175.6	0	0	0	0	0	112.1	K226 S364 A367	A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 PolarHBondContact O-N 3.47Å; A224-S364 CarbonylContact C-O 3.55Å; A224-S364 WeakPolarHBondContact CA-O 3.47Å; A224-A367 WeakPolarHBondContact CA-O 3.46Å
225	G	95.6	Very high	95.3	Very high	40 Å²	40	31.5 Å²	31.5	41%	0.412	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	7.3	-174.7	0	0	0	0	0	114.6	N205 S364	N205-G225 PolarHBondContact ND2-O 2.95Å; G225-S364 PolarHBondContact N-O 2.83Å
226	K	96.8	Very high	95.6	Very high	42 Å²	42	27.9 Å²	27.9	18%	0.183	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159	178.7	-55.9	172.3	-174.5	76.9	0	110.3	F206 N212 I222 G223 A224	F206-K226 HydrophobicContact CB-CB 4.09Å; F206-K226 HydrophobicContact CB-CD 4.11Å; F206-K226 HydrophobicContact CB-CG 4.26Å; F206-K226 HydrophobicContact CD1-CB 4.17Å; F206-K226 HydrophobicContact CD2-CD 4.25Å; F206-K226 HydrophobicContact CG-CB 4.21Å; F206-K226 HydrophobicContact CG-CD 4.12Å; N212-K226 WeakPolarHBondContact OD1-CD 3.37Å; N212-K226 VanDerWaalsContact OD1-CE 3.23Å; N212-K226 WeakPolarHBondContact OD1-CE 3.47Å; N212-K226 PolarHBondContact OD1-NZ 3.15Å; I222-K226 HydrophobicContact CG2-CB 3.98Å; I222-K226 WeakPolarHBondContact CG2-O 3.23Å; G223-K226 VanDerWaalsContact O-CB 3.27Å; G223-K226 WeakPolarHBondContact O-CB 3.24Å; G223-K226 PolarHBondContact O-N 3.45Å; G223-K226 VanDerWaalsContact O-N 3.15Å; A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 PolarHBondContact O-N 3.47Å
227	S	97.3	Very high	96.2	Very high	28 Å²	28	26.2 Å²	26.2	20%	0.196	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162.5	177.4	53.1	0	0	0	0	112.3	S203 I362	S203-S227 PolarHBondContact N-O 3.45Å; S203-S227 PolarHBondContact OG-N 3.08Å; S203-S227 VanDerWaalsContact OG-N 3.15Å; S203-S227 PolarHBondContact OG-O 3.36Å; S227-I362 CarbonylContact C-O 3.55Å; S227-I362 WeakPolarHBondContact CA-O 3.47Å; S227-I362 WeakPolarHBondContact CB-O 3.46Å
228	V	98.1	Very high	96.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.8	160.1	-59.6	0	0	0	0	108.8	L200 E201 R202 F206 M220 I222 I362 L371	L200-V228 HydrophobicContact CD2-CB 4.47Å; L200-V228 HydrophobicContact CD2-CG2 4.23Å; E201-V228 CarbonylContact O-C 3.55Å; E201-V228 VanDerWaalsContact O-CA 3.28Å; E201-V228 WeakPolarHBondContact O-CA 2.62Å; R202-V228 HydrophobicContact CG-CG1 3.98Å; F206-V228 HydrophobicContact CD1-CG1 4.01Å; F206-V228 HydrophobicContact CE1-CG1 3.7Å; M220-V228 HydrophobicContact CE-CB 4.39Å; M220-V228 HydrophobicContact CE-CG1 3.76Å; M220-V228 HydrophobicContact CE-CG2 3.88Å; M220-V228 HydrophobicContact SD-CG1 4.18Å; I222-V228 HydrophobicContact CD1-CG1 4.34Å; I222-V228 HydrophobicContact CD1-CG2 3.85Å; V228-I362 HydrophobicContact CG2-CB 3.93Å; V228-I362 PolarHBondContact N-O 3.36Å; V228-I362 PolarHBondContact O-N 2.98Å; V228-L371 HydrophobicContact CG2-CD2 4.23Å
229	T	98.2	Very high	96.9	Very high	19 Å²	19	29.2 Å²	29.2	12%	0.117	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.2	177.1	-55.9	0	0	0	0	109.1	L200 E201 K231 D359 I360 V361	L200-T229 WeakPolarHBondContact CA-O 3.17Å; E201-T229 PolarHBondContact N-O 3.4Å; E201-T229 PolarHBondContact O-N 3.44Å; T229-K231 HydrophobicContact CG2-CD 3.97Å; T229-K231 HydrophobicContact CG2-CG 4.38Å; T229-K231 PolarHBondContact O-N 3Å; T229-D359 HydrophobicContact CG2-CB 3.53Å; T229-I360 CarbonylContact C-O 3.55Å; T229-I360 WeakPolarHBondContact CA-O 3.31Å; T229-V361 HydrophobicContact CG2-CG2 4.11Å
230	L	98.4	Very high	97	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105.5	172.1	-177.5	68.8	0	0	0	109.4	V171 Y173 L200 W233 D359 I360 I374	V171-L230 HydrophobicContact CG1-CD1 4.16Å; V171-L230 HydrophobicContact CG1-CD2 4.22Å; Y173-L230 HydrophobicContact CD2-CD1 4.31Å; Y173-L230 HydrophobicContact CE2-CD1 3.43Å; Y173-L230 VanDerWaalsContact CE2-CD1 3.43Å; L200-L230 HydrophobicContact CD2-CB 4.12Å; L200-L230 HydrophobicContact CD2-CD1 3.95Å; L230-W233 HydrophobicContact CD2-CE3 3.7Å; L230-W233 HydrophobicContact CD2-CZ3 4.32Å; L230-D359 WeakPolarHBondContact O-CB 3.39Å; L230-I360 HydrophobicContact CB-CB 4.12Å; L230-I360 HydrophobicContact CD2-CB 4.49Å; L230-I360 HydrophobicContact CD2-CD1 3.97Å; L230-I360 HydrophobicContact CD2-CG1 4.46Å; L230-I360 PolarHBondContact N-O 2.98Å; L230-I374 HydrophobicContact CD2-CG2 4.42Å
231	K	98	Very high	96.9	Very high	46 Å²	46	29 Å²	29	20%	0.2	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	161.1	-178.2	-65.8	-66.4	-174	-177.3	0	111.8	S198 Y199 E201 T229 W233 D359	S198-K231 VanDerWaalsContact CA-O 3.24Å; S198-K231 WeakPolarHBondContact CA-O 3.39Å; S198-K231 WeakPolarHBondContact CB-O 3.32Å; Y199-K231 HydrophobicContact CD1-CB 3.67Å; Y199-K231 HydrophobicContact CD2-CB 4.21Å; Y199-K231 HydrophobicContact CD2-CG 4.43Å; Y199-K231 HydrophobicContact CE1-CB 3.27Å; Y199-K231 HydrophobicContact CE1-CG 4.04Å; Y199-K231 HydrophobicContact CE2-CB 3.86Å; Y199-K231 HydrophobicContact CE2-CG 3.81Å; Y199-K231 HydrophobicContact CG-CB 4.12Å; Y199-K231 PolarHBondContact N-O 2.89Å; Y199-K231 PolarHBondContact O-N 3.24Å; E201-K231 HydrophobicContact CB-CG 3.88Å; E201-K231 WeakPolarHBondContact OE2-CE 3.48Å; E201-K231 IonicContact OE2-NZ 2.71Å; T229-K231 HydrophobicContact CG2-CD 3.97Å; T229-K231 HydrophobicContact CG2-CG 4.38Å; T229-K231 PolarHBondContact O-N 3Å; K231-W233 PolarHBondContact O-N 2.83Å; K231-D359 WeakPolarHBondContact CD-OD2 3.31Å; K231-D359 IonicContact NZ-OD2 3.41Å; K231-D359 PolarHBondContact NZ-OD2 3Å
232	D	97	Very high	96.8	Very high	96 Å²	96	29.4 Å²	29.4	51%	0.513	17%	0.172	S	C	.	.	S	Bend	trans	62.1	3	-178.9	-57.2	-15.7	0	0	0	115.3	R196	R196-D232 IonicContact CZ-OD2 3.19Å; R196-D232 IonicContact NE-OD2 3.65Å; R196-D232 IonicContact NH2-OD2 2.82Å; R196-D232 PolarHBondContact NH2-OD2 3.43Å
233	W	97.3	Very high	96.6	Very high	14 Å²	14	32.4 Å²	32.4	5%	0.053	19%	0.194	C	C	.	.			trans	-135.1	98	174.3	-166.6	80.2	0	0	0	112.1	V171 L230 K231 P235 I251 I360 G376	V171-W233 HydrophobicContact CG2-CB 3.97Å; V171-W233 HydrophobicContact CG2-CD2 3.72Å; V171-W233 HydrophobicContact CG2-CE3 4.37Å; V171-W233 HydrophobicContact CG2-CG 3.53Å; L230-W233 HydrophobicContact CD2-CE3 3.7Å; L230-W233 HydrophobicContact CD2-CZ3 4.32Å; K231-W233 PolarHBondContact O-N 2.83Å; W233-P235 HydrophobicContact CE3-CB 4.26Å; W233-P235 HydrophobicContact CE3-CG 4.4Å; W233-P235 HydrophobicContact CH2-CB 3.94Å; W233-P235 HydrophobicContact CZ2-CB 4.43Å; W233-P235 HydrophobicContact CZ3-CB 3.83Å; W233-P235 HydrophobicContact CZ3-CG 4.13Å; W233-P235 WeakPolarHBondContact O-CD 3.28Å; W233-I251 HydrophobicContact CH2-CG1 3.73Å; W233-I251 HydrophobicContact CZ3-CG1 4.04Å; W233-I251 HydrophobicContact CZ3-CG2 4.38Å; W233-I360 HydrophobicContact CE3-CD1 4.24Å; W233-I360 HydrophobicContact CZ3-CD1 3.89Å; W233-G376 VanDerWaalsContact CH2-CA 3.44Å
234	Q	98	Very high	96.6	Very high	72 Å²	72	33.4 Å²	33.4	34%	0.336	20%	0.204	S	C	.	.			trans	-103.9	98.1	-179.9	-67.3	172.7	-22.6	0	0	108.8	F236 A237 P357 D359	Q234-F236 PolarHBondContact O-N 3.48Å; Q234-A237 HydrophobicContact CB-CB 3.98Å; Q234-A237 WeakPolarHBondContact O-CB 3.4Å; Q234-A237 PolarHBondContact O-N 2.93Å; Q234-A237 VanDerWaalsContact O-N 3.1Å; Q234-P357 HydrophobicContact CB-CB 4.11Å; Q234-P357 HydrophobicContact CG-CB 4.43Å; Q234-P357 VanDerWaalsContact OE1-CB 3.24Å; Q234-D359 VanDerWaalsContact CG-OD1 3.25Å; Q234-D359 WeakPolarHBondContact CG-OD1 3.35Å; Q234-D359 PolarHBondContact NE2-OD1 2.85Å
235	P	97.2	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.6	-164.7	21.4	-33	0	0	0	114.1	W233 F240 R249 I251 I360	W233-P235 HydrophobicContact CE3-CB 4.26Å; W233-P235 HydrophobicContact CE3-CG 4.4Å; W233-P235 HydrophobicContact CH2-CB 3.94Å; W233-P235 HydrophobicContact CZ2-CB 4.43Å; W233-P235 HydrophobicContact CZ3-CB 3.83Å; W233-P235 HydrophobicContact CZ3-CG 4.13Å; W233-P235 WeakPolarHBondContact O-CD 3.28Å; P235-F240 WeakPolarHBondContact O-CE1 3.04Å; P235-R249 HydrophobicContact CB-CG 4.44Å; P235-R249 VanDerWaalsContact O-CZ 3.29Å; P235-R249 PolarHBondContact O-NE 2.84Å; P235-I251 HydrophobicContact CB-CD1 3.98Å; P235-I251 HydrophobicContact CB-CG1 3.85Å; P235-I251 HydrophobicContact CG-CG1 4.33Å; P235-I360 HydrophobicContact CG-CD1 4.16Å; P235-I360 HydrophobicContact CG-CG1 4.19Å
236	F	97.6	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	21	-177.9	-55.7	-78.9	0	0	0	113.8	Q234 E238 F240 I251 T275 F277 L307 I309 W352 K353 Q354	Q234-F236 PolarHBondContact O-N 3.48Å; F236-E238 PolarHBondContact O-N 3.29Å; F236-F240 AromaticContact CD1-CE1 3.84Å; F236-F240 HydrophobicContact CD1-CE1 3.84Å; F236-F240 AromaticContact CD1-CZ 3.67Å; F236-F240 HydrophobicContact CD1-CZ 3.67Å; F236-F240 HydrophobicContact CE1-CE1 4.38Å; F236-F240 AromaticContact CE1-CZ 3.81Å; F236-F240 HydrophobicContact CE1-CZ 3.81Å; F236-I251 HydrophobicContact CE2-CD1 4.5Å; F236-I251 HydrophobicContact CZ-CD1 4.09Å; F236-T275 HydrophobicContact CD1-CG2 4.11Å; F236-F277 AromaticContact CE2-CD1 3.74Å; F236-F277 HydrophobicContact CE2-CD1 3.74Å; F236-F277 AromaticContact CE2-CE1 3.96Å; F236-F277 HydrophobicContact CE2-CE1 3.96Å; F236-F277 HydrophobicContact CZ-CD1 4.02Å; F236-F277 HydrophobicContact CZ-CE1 4.5Å; F236-L307 HydrophobicContact CZ-CD2 4.22Å; F236-I309 HydrophobicContact CE1-CD1 3.77Å; F236-I309 HydrophobicContact CZ-CD1 4.43Å; F236-W352 WeakPolarHBondContact CB-O 3.28Å; F236-W352 HydrophobicContact CD1-CE3 4.09Å; F236-W352 AromaticContact CE1-CE3 3.74Å; F236-W352 HydrophobicContact CE1-CE3 3.74Å; F236-W352 HydrophobicContact CE1-CZ3 4.13Å; F236-K353 WeakPolarHBondContact O-CA 3.46Å; F236-Q354 HydrophobicContact CB-CB 4.33Å; F236-Q354 HydrophobicContact CB-CG 3.59Å; F236-Q354 HydrophobicContact CG-CG 4.41Å; F236-Q354 PolarHBondContact O-N 3.17Å
237	A	97.2	Very high	96.6	Very high	28 Å²	28	42 Å²	42	23%	0.231	23%	0.227	C	C	.	.	S	Bend	trans	-66.5	-22.8	178.4	0	0	0	0	0	113.9	Q234 K353 P357	Q234-A237 HydrophobicContact CB-CB 3.98Å; Q234-A237 WeakPolarHBondContact O-CB 3.4Å; Q234-A237 PolarHBondContact O-N 2.93Å; Q234-A237 VanDerWaalsContact O-N 3.1Å; A237-K353 VanDerWaalsContact O-CE 3.31Å; A237-K353 WeakPolarHBondContact O-CE 3.47Å; A237-P357 HydrophobicContact CB-CB 3.89Å; A237-P357 HydrophobicContact CB-CG 3.99Å
238	E	96.3	Very high	96.6	Very high	118 Å²	118	40.6 Å²	40.6	55%	0.551	22%	0.218	S	C	*	.	S	Bend	trans	-131.4	157	-179.9	-61.7	-176.1	170.5	0	0	110.5	F236 F240	F236-E238 PolarHBondContact O-N 3.29Å; E238-F240 VanDerWaalsContact O-CD1 3.28Å; E238-F240 WeakPolarHBondContact O-CD1 3.25Å; E238-F240 PolarHBondContact O-N 3.15Å
239	N	95.7	Very high	96.6	Very high	26 Å²	26	41.6 Å²	41.6	14%	0.139	22%	0.221	C	C	.	.			trans	-82	111.2	172	-170.5	14	0	0	0	109.4	G241 S243 G244 S245 N351 W352 K353	N239-G241 PolarHBondContact OD1-N 2.92Å; N239-S243 VanDerWaalsContact ND2-C 3.32Å; N239-S243 PolarHBondContact ND2-O 3.14Å; N239-S243 PolarHBondContact ND2-OG 3.37Å; N239-G244 WeakPolarHBondContact ND2-CA 3.29Å; N239-G244 PolarHBondContact ND2-N 2.91Å; N239-G244 CarbonylContact O-C 3.53Å; N239-G244 WeakPolarHBondContact O-CA 3.49Å; N239-S245 PolarHBondContact O-N 2.9Å; N239-S245 PolarHBondContact O-OG 2.84Å; N239-N351 VanDerWaalsContact CB-OD1 3.25Å; N239-N351 WeakPolarHBondContact CB-OD1 3.43Å; N239-N351 PolarHBondContact ND2-OD1 2.94Å; N239-W352 PolarHBondContact OD1-N 3.47Å; N239-W352 VanDerWaalsContact OD1-N 3.14Å; N239-K353 HydrophobicContact CB-CB 4.09Å
240	F	96.4	Very high	96.7	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	22%	0.216	C	C	.	.			trans	-106.2	-3.8	179	50.7	-101.1	0	0	0	113.7	P235 F236 E238 S245 K246 K247 G248 R249 I309 G311 W352	P235-F240 WeakPolarHBondContact O-CE1 3.04Å; F236-F240 AromaticContact CD1-CE1 3.84Å; F236-F240 HydrophobicContact CD1-CE1 3.84Å; F236-F240 AromaticContact CD1-CZ 3.67Å; F236-F240 HydrophobicContact CD1-CZ 3.67Å; F236-F240 HydrophobicContact CE1-CE1 4.38Å; F236-F240 AromaticContact CE1-CZ 3.81Å; F236-F240 HydrophobicContact CE1-CZ 3.81Å; E238-F240 VanDerWaalsContact O-CD1 3.28Å; E238-F240 WeakPolarHBondContact O-CD1 3.25Å; E238-F240 PolarHBondContact O-N 3.15Å; F240-S245 WeakPolarHBondContact CA-OG 3.31Å; F240-K246 CarbonylContact O-C 3.59Å; F240-K246 WeakPolarHBondContact O-CA 3.21Å; F240-K246 PolarHBondContact O-N 2.57Å; F240-K247 PolarHBondContact O-N 3.29Å; F240-G248 PolarHBondContact O-N 2.84Å; F240-R249 HydrophobicContact CD1-CB 3.94Å; F240-R249 HydrophobicContact CD1-CG 4.38Å; F240-R249 HydrophobicContact CD2-CB 3.5Å; F240-R249 HydrophobicContact CE1-CB 3.81Å; F240-R249 HydrophobicContact CE1-CG 3.99Å; F240-R249 HydrophobicContact CE2-CB 3.38Å; F240-R249 HydrophobicContact CE2-CG 4.3Å; F240-R249 HydrophobicContact CG-CB 3.79Å; F240-R249 HydrophobicContact CZ-CB 3.53Å; F240-R249 HydrophobicContact CZ-CG 3.94Å; F240-I309 HydrophobicContact CD2-CB 4.48Å; F240-I309 HydrophobicContact CD2-CG2 4.23Å; F240-I309 HydrophobicContact CE2-CB 3.73Å; F240-I309 HydrophobicContact CE2-CD1 3.61Å; F240-I309 HydrophobicContact CE2-CG1 4.28Å; F240-I309 HydrophobicContact CE2-CG2 3.64Å; F240-I309 HydrophobicContact CZ-CD1 3.69Å; F240-G311 WeakPolarHBondContact O-CA 3.17Å; F240-W352 HydrophobicContact CE1-CB 4.05Å; F240-W352 HydrophobicContact CE2-CB 3.92Å; F240-W352 HydrophobicContact CE2-CD2 4.39Å; F240-W352 AromaticContact CE2-CG 3.96Å; F240-W352 HydrophobicContact CE2-CG 3.96Å; F240-W352 HydrophobicContact CZ-CB 3.67Å; F240-W352 HydrophobicContact CZ-CD2 4.4Å; F240-W352 HydrophobicContact CZ-CG 4.06Å
241	G	95.4	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-72.5	-173.7	174.7	0	0	0	0	0	112.8	N239 S243 G244 K246 Y347	N239-G241 PolarHBondContact OD1-N 2.92Å; G241-S243 PolarHBondContact O-N 3.36Å; G241-S243 VanDerWaalsContact O-N 3.17Å; G241-G244 CarbonylContact O-C 3.55Å; G241-G244 PolarHBondContact O-N 3.03Å; G241-K246 PolarHBondContact O-N 3.05Å; G241-Y347 WeakPolarHBondContact CA-OH 3.44Å
242	V	94.6	Very high	96.7	Very high	20 Å²	20	38.4 Å²	38.4	12%	0.121	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28	-177.3	-70.4	0	0	0	0	115	G244 K246 G311 N331 Y347	V242-G244 VanDerWaalsContact C-N 3.29Å; V242-K246 VanDerWaalsContact O-CE 3.31Å; V242-K246 WeakPolarHBondContact O-CE 3.35Å; V242-G311 WeakPolarHBondContact CG1-O 2.97Å; V242-N331 HydrophobicContact CG1-CB 4.14Å; V242-N331 VanDerWaalsContact CG1-OD1 3.31Å; V242-N331 WeakPolarHBondContact CG1-OD1 3.41Å; V242-N331 HydrophobicContact CG2-CB 4.25Å; V242-N331 VanDerWaalsContact CG2-ND2 3.35Å; V242-N331 WeakPolarHBondContact CG2-ND2 3.32Å; V242-Y347 HydrophobicContact CG2-CE2 3.97Å; V242-Y347 PolarHBondContact N-OH 3.48Å
243	S	93.5	Very high	96.8	Very high	65 Å²	65	33.9 Å²	33.9	46%	0.455	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.2	177.4	57.5	0	0	0	0	113.2	N239 G241 N349 A350	N239-S243 VanDerWaalsContact ND2-C 3.32Å; N239-S243 PolarHBondContact ND2-O 3.14Å; N239-S243 PolarHBondContact ND2-OG 3.37Å; G241-S243 PolarHBondContact O-N 3.36Å; G241-S243 VanDerWaalsContact O-N 3.17Å; S243-N349 PolarHBondContact OG-O 3.32Å; S243-A350 PolarHBondContact OG-O 3.1Å
244	G	95.4	Very high	96.8	Very high	31 Å²	31	33.2 Å²	33.2	32%	0.32	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-132.8	-177.4	0	0	0	0	0	112.6	N239 G241 V242 K246	N239-G244 WeakPolarHBondContact ND2-CA 3.29Å; N239-G244 PolarHBondContact ND2-N 2.91Å; N239-G244 CarbonylContact O-C 3.53Å; N239-G244 WeakPolarHBondContact O-CA 3.49Å; G241-G244 CarbonylContact O-C 3.55Å; G241-G244 PolarHBondContact O-N 3.03Å; V242-G244 VanDerWaalsContact C-N 3.29Å; G244-K246 PolarHBondContact O-N 3.26Å
245	S	96.1	Very high	96.7	Very high	56 Å²	56	29.8 Å²	29.8	39%	0.392	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.4	-177.2	68.9	0	0	0	0	114.6	N239 F240 K247	N239-S245 PolarHBondContact O-N 2.9Å; N239-S245 PolarHBondContact O-OG 2.84Å; F240-S245 WeakPolarHBondContact CA-OG 3.31Å; S245-K247 PolarHBondContact O-N 2.72Å; S245-K247 VanDerWaalsContact O-N 3.13Å
246	K	96	Very high	96.6	Very high	131 Å²	131	32 Å²	32	57%	0.57	17%	0.173	S	C	*	.			trans	60.2	15.7	179.6	-49.1	-174.4	-179.8	-176.9	0	115.4	F240 G241 V242 G244 G311	F240-K246 CarbonylContact O-C 3.59Å; F240-K246 WeakPolarHBondContact O-CA 3.21Å; F240-K246 PolarHBondContact O-N 2.57Å; G241-K246 PolarHBondContact O-N 3.05Å; V242-K246 VanDerWaalsContact O-CE 3.31Å; V242-K246 WeakPolarHBondContact O-CE 3.35Å; G244-K246 PolarHBondContact O-N 3.26Å; K246-G311 VanDerWaalsContact CA-O 3.27Å; K246-G311 WeakPolarHBondContact CA-O 3.18Å; K246-G311 WeakPolarHBondContact CB-O 3.42Å; K246-G311 CarbonylContact O-C 3.6Å
247	K	95.8	Very high	96.3	Very high	126 Å²	126	32 Å²	32	55%	0.548	17%	0.173	S	C	.	.			trans	-76.4	-28.4	179.6	-67	-176.9	177.6	-179.6	0	112.7	F240 S245 K379	F240-K247 PolarHBondContact O-N 3.29Å; S245-K247 PolarHBondContact O-N 2.72Å; S245-K247 VanDerWaalsContact O-N 3.13Å; K247-K379 WeakPolarHBondContact O-CA 3.39Å
248	G	97.2	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.			trans	74.2	178.7	-167	0	0	0	0	0	112.5	F240 I309	F240-G248 PolarHBondContact O-N 2.84Å; G248-I309 CarbonylContact C-O 3.59Å; G248-I309 WeakPolarHBondContact CA-O 3.37Å
249	R	98.2	Very high	94.9	Very high	21 Å²	21	32.6 Å²	32.6	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	139.2	-178.5	-178.5	68.3	60.4	150	-0.5	109.6	P235 F240 I251 I309 Y377 K379	P235-R249 HydrophobicContact CB-CG 4.44Å; P235-R249 VanDerWaalsContact O-CZ 3.29Å; P235-R249 PolarHBondContact O-NE 2.84Å; F240-R249 HydrophobicContact CD1-CB 3.94Å; F240-R249 HydrophobicContact CD1-CG 4.38Å; F240-R249 HydrophobicContact CD2-CB 3.5Å; F240-R249 HydrophobicContact CE1-CB 3.81Å; F240-R249 HydrophobicContact CE1-CG 3.99Å; F240-R249 HydrophobicContact CE2-CB 3.38Å; F240-R249 HydrophobicContact CE2-CG 4.3Å; F240-R249 HydrophobicContact CG-CB 3.79Å; F240-R249 HydrophobicContact CZ-CB 3.53Å; F240-R249 HydrophobicContact CZ-CG 3.94Å; R249-I251 HydrophobicContact CG-CD1 3.8Å; R249-I251 HydrophobicContact CG-CG1 4.49Å; R249-I309 PolarHBondContact N-O 3.06Å; R249-I309 PolarHBondContact O-N 2.91Å; R249-Y377 WeakPolarHBondContact CD-O 3.48Å; R249-K379 CarbonylContact C-O 3.56Å
250	T	98.6	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.8	167.6	-66.1	0	0	0	0	111.1	E252 L307 S308 G376 Y377 K379 I381	T250-E252 HydrophobicContact CG2-CG 3.77Å; T250-L307 CarbonylContact C-O 3.52Å; T250-L307 VanDerWaalsContact CA-O 3.22Å; T250-L307 WeakPolarHBondContact CA-O 3.33Å; T250-S308 WeakPolarHBondContact OG1-CB 3.21Å; T250-S308 PolarHBondContact OG1-OG 2.91Å; T250-G376 WeakPolarHBondContact O-CA 3.44Å; T250-Y377 HydrophobicContact CG2-CD2 3.92Å; T250-Y377 PolarHBondContact N-O 2.97Å; T250-Y377 VanDerWaalsContact N-O 3.09Å; T250-Y377 PolarHBondContact O-N 3.11Å; T250-K379 PolarHBondContact N-O 3.22Å; T250-K379 VanDerWaalsContact N-O 3.09Å; T250-K379 PolarHBondContact OG1-O 3.22Å; T250-I381 HydrophobicContact CG2-CD1 3.81Å; T250-I381 HydrophobicContact CG2-CG1 3.77Å; T250-I381 HydrophobicContact CG2-CG2 4.47Å; T250-I381 PolarHBondContact OG1-N 2.75Å
251	I	98.6	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.4	170	-51.7	96.9	0	0	0	108.3	W233 P235 F236 R249 I253 F277 S306 L307 I360	W233-I251 HydrophobicContact CH2-CG1 3.73Å; W233-I251 HydrophobicContact CZ3-CG1 4.04Å; W233-I251 HydrophobicContact CZ3-CG2 4.38Å; P235-I251 HydrophobicContact CB-CD1 3.98Å; P235-I251 HydrophobicContact CB-CG1 3.85Å; P235-I251 HydrophobicContact CG-CG1 4.33Å; F236-I251 HydrophobicContact CE2-CD1 4.5Å; F236-I251 HydrophobicContact CZ-CD1 4.09Å; R249-I251 HydrophobicContact CG-CD1 3.8Å; R249-I251 HydrophobicContact CG-CG1 4.49Å; I251-I253 HydrophobicContact CG2-CD1 4.43Å; I251-I253 HydrophobicContact CG2-CG1 4.3Å; I251-F277 HydrophobicContact CG1-CE1 4.49Å; I251-F277 HydrophobicContact CG2-CE1 4.24Å; I251-F277 HydrophobicContact CG2-CZ 4.1Å; I251-S306 WeakPolarHBondContact O-CA 3.49Å; I251-L307 HydrophobicContact CD1-CD2 4.37Å; I251-L307 PolarHBondContact N-O 2.87Å; I251-L307 PolarHBondContact O-N 2.92Å; I251-I360 HydrophobicContact CG2-CD1 3.9Å
252	E	98.7	Very high	93.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.5	172.3	-39.2	-173.3	93.1	0	0	110.9	T250 F305 S306 I374 R375 N389	T250-E252 HydrophobicContact CG2-CG 3.77Å; E252-F305 CarbonylContact C-O 3.5Å; E252-F305 WeakPolarHBondContact CA-O 3.18Å; E252-F305 WeakPolarHBondContact CB-O 3.35Å; E252-S306 WeakPolarHBondContact CG-OG 3.17Å; E252-S306 VanDerWaalsContact OE1-CB 3.29Å; E252-S306 WeakPolarHBondContact OE1-CB 3.46Å; E252-S306 PolarHBondContact OE1-OG 3.4Å; E252-I374 CarbonylContact O-C 3.52Å; E252-I374 WeakPolarHBondContact O-CA 3.4Å; E252-R375 HydrophobicContact CB-CB 4.07Å; E252-R375 HydrophobicContact CG-CB 4.25Å; E252-R375 PolarHBondContact N-O 2.8Å; E252-R375 PolarHBondContact O-N 2.81Å; E252-R375 VanDerWaalsContact OE2-CD 3.3Å; E252-R375 WeakPolarHBondContact OE2-CD 3.2Å; E252-N389 WeakPolarHBondContact OE2-CB 3.47Å; E252-N389 PolarHBondContact OE2-ND2 2.69Å
253	I	98.5	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.8	178.5	-53.5	175.5	0	0	0	107.9	I251 F255 V268 F277 F305 I360 I362 L371 S373	I251-I253 HydrophobicContact CG2-CD1 4.43Å; I251-I253 HydrophobicContact CG2-CG1 4.3Å; I253-F255 HydrophobicContact CG2-CD1 4.08Å; I253-V268 HydrophobicContact CD1-CG1 3.83Å; I253-F277 HydrophobicContact CD1-CE2 4.17Å; I253-F277 HydrophobicContact CD1-CZ 4.19Å; I253-F305 HydrophobicContact CB-CD1 4.5Å; I253-F305 PolarHBondContact N-O 3.32Å; I253-F305 PolarHBondContact O-N 3.27Å; I253-I360 HydrophobicContact CD1-CG2 4Å; I253-I362 HydrophobicContact CG2-CD1 4.37Å; I253-L371 HydrophobicContact CG2-CD1 3.7Å; I253-S373 WeakPolarHBondContact CA-O 3.18Å
254	E	97.5	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.6	174.9	-170.1	179.4	-173.2	0	0	110.4	R302 I303 K304 Y372 S373	E254-R302 IonicContact OE1-CZ 2.89Å; E254-R302 IonicContact OE1-NE 3.92Å; E254-R302 PolarHBondContact OE1-NE 2.81Å; E254-R302 IonicContact OE1-NH2 3.91Å; E254-R302 PolarHBondContact OE1-NH2 3.07Å; E254-R302 IonicContact OE2-NH2 3.97Å; E254-I303 CarbonylContact C-O 3.54Å; E254-I303 WeakPolarHBondContact CA-O 3.48Å; E254-K304 HydrophobicContact CB-CB 4.12Å; E254-K304 HydrophobicContact CB-CD 4.35Å; E254-K304 HydrophobicContact CB-CG 4.07Å; E254-K304 HydrophobicContact CG-CB 4Å; E254-K304 HydrophobicContact CG-CG 4.45Å; E254-Y372 HydrophobicContact CG-CD2 4.34Å; E254-Y372 PolarHBondContact O-N 2.77Å; E254-S373 WeakPolarHBondContact CB-OG 3.5Å; E254-S373 PolarHBondContact N-O 2.86Å; E254-S373 PolarHBondContact O-N 2.88Å; E254-S373 PolarHBondContact OE2-OG 2.76Å; E254-S373 VanDerWaalsContact OE2-OG 3.04Å
255	F	96.5	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	170.2	-171.5	65.9	-87.2	0	0	0	112	I253 T257 I267 I279 Y297 R302 I303 F305 V369 I370	I253-F255 HydrophobicContact CG2-CD1 4.08Å; F255-T257 HydrophobicContact CD2-CG2 4.39Å; F255-T257 HydrophobicContact CE2-CG2 4.21Å; F255-I267 HydrophobicContact CD2-CD1 3.72Å; F255-I267 HydrophobicContact CE2-CD1 3.37Å; F255-I267 HydrophobicContact CZ-CD1 4.11Å; F255-I279 HydrophobicContact CD1-CD1 4.47Å; F255-I279 HydrophobicContact CE1-CD1 3.61Å; F255-I279 HydrophobicContact CE1-CG2 4.07Å; F255-I279 HydrophobicContact CE2-CG2 3.98Å; F255-I279 HydrophobicContact CZ-CD1 4.03Å; F255-I279 HydrophobicContact CZ-CG2 3.38Å; F255-Y297 HydrophobicContact CE2-CE2 4.11Å; F255-Y297 AromaticContact CE2-CZ 3.92Å; F255-Y297 WeakPolarHBondContact CE2-OH 3.46Å; F255-Y297 HydrophobicContact CZ-CE2 4.45Å; F255-R302 CarbonylContact O-C 3.53Å; F255-R302 WeakPolarHBondContact O-CA 3.32Å; F255-I303 HydrophobicContact CD2-CG1 4.35Å; F255-I303 HydrophobicContact CE1-CD1 3.92Å; F255-I303 HydrophobicContact CE1-CG1 3.89Å; F255-I303 HydrophobicContact CE2-CD1 3.86Å; F255-I303 HydrophobicContact CE2-CG1 3.67Å; F255-I303 HydrophobicContact CZ-CD1 3.27Å; F255-I303 HydrophobicContact CZ-CG1 3.43Å; F255-I303 VanDerWaalsContact CZ-CG1 3.43Å; F255-I303 PolarHBondContact N-O 3.24Å; F255-I303 PolarHBondContact O-N 2.95Å; F255-I303 VanDerWaalsContact O-O 3.11Å; F255-F305 HydrophobicContact CE1-CB 4.11Å; F255-V369 HydrophobicContact CB-CG1 4.41Å; F255-I370 CarbonylContact C-O 3.6Å; F255-I370 WeakPolarHBondContact CA-O 3.41Å; F255-I370 WeakPolarHBondContact CB-O 3.49Å
256	E	94.8	Very high	93	Very high	46 Å²	46	42.6 Å²	42.6	22%	0.215	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139	169.7	176.3	-168.1	142.7	0	0	109	R302 V369 I370 Y372	E256-R302 HydrophobicContact CB-CB 4.41Å; E256-V369 CarbonylContact O-C 3.52Å; E256-V369 WeakPolarHBondContact O-CA 3.15Å; E256-I370 HydrophobicContact CB-CB 4.29Å; E256-I370 PolarHBondContact N-O 3.37Å; E256-I370 PolarHBondContact O-N 2.8Å; E256-Y372 HydrophobicContact CB-CE2 3.79Å; E256-Y372 PolarHBondContact OE2-OH 3.44Å
257	T	91.7	Very high	93.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.4	174.2	56.5	0	0	0	0	109.5	F255 I267 A281 Y297 T300	F255-T257 HydrophobicContact CD2-CG2 4.39Å; F255-T257 HydrophobicContact CE2-CG2 4.21Å; T257-I267 HydrophobicContact CG2-CD1 3.27Å; T257-I267 HydrophobicContact CG2-CG2 4.35Å; T257-A281 HydrophobicContact CG2-CB 4.49Å; T257-Y297 HydrophobicContact CG2-CE2 4.49Å; T257-T300 WeakPolarHBondContact O-CA 3.22Å; T257-T300 PolarHBondContact O-N 2.85Å; T257-T300 PolarHBondContact OG1-N 3.31Å
258	G	83.8	Confident	93.2	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-165	169.6	0	0	0	0	0	112.8	C260 K368	G258-C260 PolarHBondContact O-N 3.47Å; G258-K368 PolarHBondContact N-O 2.91Å
259	I	81	Confident	93.3	Very high	155 Å²	155	32.6 Å²	32.6	80%	0.795	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	126.9	171.9	-59	172.2	0	0	0	109.2
260	C	84.7	Confident	93.3	Very high	29 Å²	29	31.6 Å²	31.6	20%	0.196	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.1	-179.9	-163.2	0	0	0	0	110.9	G258 D262 A265 A281 A367	G258-C260 PolarHBondContact O-N 3.47Å; C260-D262 VanDerWaalsContact SG-C 3.57Å; C260-D262 PolarHBondContact SG-N 2.92Å; C260-D262 VanDerWaalsContact SG-N 3.41Å; C260-D262 PolarHBondContact SG-O 3Å; C260-A265 VanDerWaalsContact SG-CB 3.57Å; C260-A281 HydrophobicContact CB-CB 4.48Å; C260-A367 HydrophobicContact CB-CB 4.14Å; C260-A367 VanDerWaalsContact SG-CB 3.59Å
261	S	86.5	Confident	93.1	Very high	102 Å²	102	32.2 Å²	32.2	71%	0.713	18%	0.178	S	C	*	.	S	Bend	trans	-91.4	-14.6	171.7	48.3	0	0	0	0	113.6	M366	S261-M366 PolarHBondContact N-O 3.24Å; S261-M366 WeakPolarHBondContact OG-CB 3.45Å; S261-M366 PolarHBondContact OG-O 2.88Å
262	D	89.6	Confident	92.9	Very high	61 Å²	61	33.1 Å²	33.1	33%	0.326	18%	0.183	S	C	.	.			trans	-144	115.1	177.1	177	2.8	0	0	0	109.7	C260 N264 A265 M366	C260-D262 VanDerWaalsContact SG-C 3.57Å; C260-D262 PolarHBondContact SG-N 2.92Å; C260-D262 VanDerWaalsContact SG-N 3.41Å; C260-D262 PolarHBondContact SG-O 3Å; D262-N264 PolarHBondContact O-N 2.83Å; D262-N264 PolarHBondContact OD1-N 2.95Å; D262-A265 HydrophobicContact CB-CB 4.47Å; D262-A265 WeakPolarHBondContact O-CB 3.4Å; D262-A265 PolarHBondContact O-N 2.72Å; D262-M366 HydrophobicContact CB-CE 4.02Å; D262-M366 HydrophobicContact CB-SD 3.93Å
263	E	84.7	Confident	92.4	Very high	110 Å²	110	40.3 Å²	40.3	51%	0.514	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.7	177.6	55.4	169.1	-147.5	0	0	113.7	N282 E299	E263-N282 PolarHBondContact O-N 2.88Å; E263-N282 PolarHBondContact O-ND2 3.27Å; E263-N282 PolarHBondContact O-OD1 3.46Å; E263-E299 WeakPolarHBondContact CB-OE1 3.2Å
264	N	90.1	Very high	92	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	17.4	175.5	-62.9	-75.3	0	0	0	113.2	D262 V266 Y280 K283	D262-N264 PolarHBondContact O-N 2.83Å; D262-N264 PolarHBondContact OD1-N 2.95Å; N264-V266 PolarHBondContact O-N 2.89Å; N264-Y280 VanDerWaalsContact O-CD1 3.28Å; N264-Y280 WeakPolarHBondContact O-CD1 3.42Å; N264-K283 PolarHBondContact OD1-NZ 3.1Å
265	A	94.8	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.			trans	-63.6	128.1	174.6	0	0	0	0	0	111	C260 D262 Y280 A281 M366	C260-A265 VanDerWaalsContact SG-CB 3.57Å; D262-A265 HydrophobicContact CB-CB 4.47Å; D262-A265 WeakPolarHBondContact O-CB 3.4Å; D262-A265 PolarHBondContact O-N 2.72Å; A265-Y280 CarbonylContact O-C 3.56Å; A265-Y280 WeakPolarHBondContact O-CA 3.22Å; A265-A281 PolarHBondContact O-N 2.74Å; A265-M366 HydrophobicContact CB-CB 3.92Å; A265-M366 HydrophobicContact CB-CE 3.92Å
266	V	96.6	Very high	92	Very high	47 Å²	47	43.4 Å²	43.4	29%	0.285	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.7	170.4	-178.5	0	0	0	0	108.9	N264 D269 R278 Y280 S364	N264-V266 PolarHBondContact O-N 2.89Å; V266-D269 HydrophobicContact CG1-CB 3.97Å; V266-R278 HydrophobicContact CG1-CG 4.46Å; V266-Y280 HydrophobicContact CG2-CD1 3.73Å; V266-Y280 HydrophobicContact CG2-CE1 3.5Å; V266-Y280 VanDerWaalsContact CG2-CE1 3.5Å; V266-S364 WeakPolarHBondContact O-CB 3.43Å; V266-S364 PolarHBondContact O-OG 3.29Å
267	I	96.9	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-23.3	179.8	63.7	170.1	0	0	0	112.6	F255 T257 I279 Y297 G363 A367 V369	F255-I267 HydrophobicContact CD2-CD1 3.72Å; F255-I267 HydrophobicContact CE2-CD1 3.37Å; F255-I267 HydrophobicContact CZ-CD1 4.11Å; T257-I267 HydrophobicContact CG2-CD1 3.27Å; T257-I267 HydrophobicContact CG2-CG2 4.35Å; I267-I279 HydrophobicContact CD1-CB 4.45Å; I267-I279 HydrophobicContact CD1-CG2 3.62Å; I267-I279 HydrophobicContact CG1-CB 4Å; I267-I279 HydrophobicContact CG1-CG2 3.69Å; I267-I279 VanDerWaalsContact CG1-O 3.23Å; I267-I279 WeakPolarHBondContact CG1-O 3.14Å; I267-I279 PolarHBondContact N-O 3.04Å; I267-Y297 VanDerWaalsContact CD1-OH 3.26Å; I267-Y297 WeakPolarHBondContact CD1-OH 3.33Å; I267-G363 CarbonylContact C-O 3.59Å; I267-G363 PolarHBondContact O-N 2.88Å; I267-A367 HydrophobicContact CG2-CB 4.11Å; I267-V369 HydrophobicContact CB-CG2 3.83Å; I267-V369 HydrophobicContact CG2-CG2 3.99Å
268	V	98.2	Very high	92.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.8	168.4	-173.3	0	0	0	0	108.9	I253 F277 R278 I279 I360 V361 I362	I253-V268 HydrophobicContact CD1-CG1 3.83Å; V268-F277 HydrophobicContact CG1-CE2 3.83Å; V268-R278 WeakPolarHBondContact O-CA 3.41Å; V268-I279 HydrophobicContact CB-CB 3.85Å; V268-I279 HydrophobicContact CB-CD1 4.06Å; V268-I279 HydrophobicContact CB-CG1 3.95Å; V268-I279 HydrophobicContact CG2-CB 4.18Å; V268-I279 HydrophobicContact CG2-CD1 4.06Å; V268-I279 HydrophobicContact CG2-CG1 4.38Å; V268-I279 PolarHBondContact N-O 2.84Å; V268-I279 VanDerWaalsContact N-O 3.12Å; V268-I279 PolarHBondContact O-N 2.79Å; V268-I360 HydrophobicContact CG1-CG2 3.65Å; V268-V361 CarbonylContact C-O 3.51Å; V268-V361 VanDerWaalsContact CA-O 3.23Å; V268-V361 WeakPolarHBondContact CA-O 3.29Å; V268-I362 HydrophobicContact CG1-CG1 4.07Å; V268-I362 HydrophobicContact CG2-CG1 4.2Å; V268-I362 HydrophobicContact CG2-CG2 4.22Å
269	D	98.3	Very high	93	Very high	47 Å²	47	44.8 Å²	44.8	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.5	177.5	-160.6	-1.1	0	0	0	111.4	V266 M271 R278 V361	V266-D269 HydrophobicContact CG1-CB 3.97Å; D269-M271 VanDerWaalsContact OD1-CB 3.31Å; D269-M271 WeakPolarHBondContact OD1-CB 3.47Å; D269-M271 PolarHBondContact OD1-N 2.82Å; D269-R278 HydrophobicContact CB-CG 4.42Å; D269-R278 VanDerWaalsContact CG-NE 3.32Å; D269-R278 WeakPolarHBondContact OD1-CG 3.37Å; D269-R278 IonicContact OD1-CZ 2.68Å; D269-R278 IonicContact OD1-NE 2.88Å; D269-R278 PolarHBondContact OD1-NE 2.83Å; D269-R278 IonicContact OD1-NH2 3.49Å; D269-R278 IonicContact OD2-CZ 3.72Å; D269-R278 IonicContact OD2-NE 2.72Å; D269-R278 PolarHBondContact OD2-NE 3.45Å; D269-R278 IonicContact OD2-NH2 3.24Å; D269-R278 PolarHBondContact OD2-NH2 2.86Å; D269-V361 PolarHBondContact N-O 2.83Å; D269-V361 PolarHBondContact O-N 2.81Å
270	C	98.3	Very high	93.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	21%	0.21	C	C	.	.			trans	-146.4	35.4	167.1	-167	0	0	0	0	109.6	F277 Q354 I360	C270-F277 CarbonylContact C-O 3.55Å; C270-F277 HydrophobicContact CB-CD1 4.1Å; C270-F277 HydrophobicContact CB-CE1 3.63Å; C270-F277 HydrophobicContact CB-CE2 4.36Å; C270-F277 HydrophobicContact CB-CZ 3.77Å; C270-F277 PolarHBondContact N-O 3.07Å; C270-Q354 PolarHBondContact O-NE2 3.01Å; C270-I360 HydrophobicContact CB-CG1 3.97Å
271	M	96.3	Very high	94.2	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.064	20%	0.2	C	C	.	.			trans	-102.1	131.2	-174.6	-174	65.9	82	0	0	110.9	D269 G276 F277 R278 E285 K287	D269-M271 VanDerWaalsContact OD1-CB 3.31Å; D269-M271 WeakPolarHBondContact OD1-CB 3.47Å; D269-M271 PolarHBondContact OD1-N 2.82Å; M271-G276 WeakPolarHBondContact CE-O 3.29Å; M271-F277 PolarHBondContact N-O 2.96Å; M271-R278 HydrophobicContact CB-CG 3.79Å; M271-R278 HydrophobicContact CG-CG 4.45Å; M271-E285 HydrophobicContact CE-CG 4.1Å; M271-K287 HydrophobicContact CE-CB 3.7Å; M271-K287 HydrophobicContact SD-CB 3.94Å; M271-K287 HydrophobicContact SD-CD 4.38Å
272	D	94.2	Very high	94.5	Very high	18 Å²	18	33.5 Å²	33.5	10%	0.096	17%	0.171	C	C	.	.			trans	-95.9	-171.3	160.1	88.5	-6	0	0	0	110.4	T274 T275 Q354 G355 K358	D272-T274 PolarHBondContact O-N 2.94Å; D272-T274 VanDerWaalsContact O-N 3.08Å; D272-T274 PolarHBondContact OD1-N 2.9Å; D272-T274 PolarHBondContact OD1-OG1 3.39Å; D272-T275 PolarHBondContact N-O 3.26Å; D272-T275 PolarHBondContact OD1-N 3.04Å; D272-Q354 HydrophobicContact CB-CB 4.25Å; D272-Q354 HydrophobicContact CB-CG 3.95Å; D272-Q354 WeakPolarHBondContact OD2-CA 3.28Å; D272-Q354 WeakPolarHBondContact OD2-CB 3.13Å; D272-Q354 WeakPolarHBondContact OD2-CG 3.49Å; D272-G355 PolarHBondContact OD2-N 2.65Å; D272-K358 HydrophobicContact CB-CG 4.42Å
273	D	86.9	Confident	94.7	Very high	152 Å²	152	32.2 Å²	32.2	81%	0.813	16%	0.163	S	C	*	.	S	Bend	trans	-61.4	-22	-177	-66.2	-23.6	0	0	0	113.9	K287	D273-K287 PolarHBondContact O-NZ 3.46Å
274	T	90.1	Very high	95.3	Very high	64 Å²	64	27 Å²	27	39%	0.393	14%	0.139	S	C	.	.	S	Bend	trans	-130	-23.9	-169.9	62.8	0	0	0	0	115.4	D272 K287 C288 S289	D272-T274 PolarHBondContact O-N 2.94Å; D272-T274 VanDerWaalsContact O-N 3.08Å; D272-T274 PolarHBondContact OD1-N 2.9Å; D272-T274 PolarHBondContact OD1-OG1 3.39Å; T274-K287 WeakPolarHBondContact O-CG 3.43Å; T274-C288 CarbonylContact O-C 3.55Å; T274-C288 WeakPolarHBondContact O-CA 3.45Å; T274-C288 VanDerWaalsContact O-O 3.13Å; T274-S289 PolarHBondContact O-N 2.57Å
275	T	96.4	Very high	95.6	Very high	1 Å²	1	25 Å²	25	1%	0.006	13%	0.128	C	C	.	.	S	Bend	trans	-144.9	136.4	-166.8	-57.9	0	0	0	0	111.3	F236 D272 K287 W352 Q354	F236-T275 HydrophobicContact CD1-CG2 4.11Å; D272-T275 PolarHBondContact N-O 3.26Å; D272-T275 PolarHBondContact OD1-N 3.04Å; T275-K287 WeakPolarHBondContact CA-O 3.49Å; T275-W352 HydrophobicContact CG2-CE3 3.74Å; T275-W352 HydrophobicContact CG2-CZ3 4.37Å; T275-W352 WeakPolarHBondContact CG2-O 3.38Å; T275-Q354 HydrophobicContact CG2-CG 4.42Å; T275-Q354 PolarHBondContact O-NE2 2.86Å
276	G	97.5	Very high	95.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.1	-154.5	173.4	0	0	0	0	0	112.2	M271 K287	M271-G276 WeakPolarHBondContact CE-O 3.29Å; G276-K287 PolarHBondContact N-O 3.13Å; G276-K287 PolarHBondContact O-N 2.77Å
277	F	98	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.3	177.5	69	-87.9	0	0	0	112.2	F236 I251 I253 V268 C270 M271 I279 E285 V286 F305 L307 I360	F236-F277 AromaticContact CE2-CD1 3.74Å; F236-F277 HydrophobicContact CE2-CD1 3.74Å; F236-F277 AromaticContact CE2-CE1 3.96Å; F236-F277 HydrophobicContact CE2-CE1 3.96Å; F236-F277 HydrophobicContact CZ-CD1 4.02Å; F236-F277 HydrophobicContact CZ-CE1 4.5Å; I251-F277 HydrophobicContact CG1-CE1 4.49Å; I251-F277 HydrophobicContact CG2-CE1 4.24Å; I251-F277 HydrophobicContact CG2-CZ 4.1Å; I253-F277 HydrophobicContact CD1-CE2 4.17Å; I253-F277 HydrophobicContact CD1-CZ 4.19Å; V268-F277 HydrophobicContact CG1-CE2 3.83Å; C270-F277 CarbonylContact C-O 3.55Å; C270-F277 HydrophobicContact CB-CD1 4.1Å; C270-F277 HydrophobicContact CB-CE1 3.63Å; C270-F277 HydrophobicContact CB-CE2 4.36Å; C270-F277 HydrophobicContact CB-CZ 3.77Å; C270-F277 PolarHBondContact N-O 3.07Å; M271-F277 PolarHBondContact N-O 2.96Å; F277-I279 HydrophobicContact CD2-CG1 4.23Å; F277-E285 CarbonylContact C-O 3.37Å; F277-E285 WeakPolarHBondContact CA-O 3.15Å; F277-E285 WeakPolarHBondContact CB-O 3.4Å; F277-V286 HydrophobicContact CB-CG2 4.12Å; F277-F305 HydrophobicContact CB-CZ 4.25Å; F277-F305 HydrophobicContact CD1-CZ 4.44Å; F277-F305 AromaticContact CD2-CE1 3.96Å; F277-F305 HydrophobicContact CD2-CE1 3.96Å; F277-F305 AromaticContact CD2-CZ 3.8Å; F277-F305 HydrophobicContact CD2-CZ 3.8Å; F277-F305 AromaticContact CE2-CE1 3.94Å; F277-F305 HydrophobicContact CE2-CE1 3.94Å; F277-F305 HydrophobicContact CE2-CZ 4.27Å; F277-F305 HydrophobicContact CG-CE1 4.33Å; F277-F305 AromaticContact CG-CZ 3.91Å; F277-F305 HydrophobicContact CG-CZ 3.91Å; F277-F305 HydrophobicContact CZ-CE1 4.3Å; F277-L307 HydrophobicContact CB-CD2 4.34Å; F277-L307 HydrophobicContact CD1-CD2 4.14Å; F277-L307 HydrophobicContact CG-CD2 4.49Å; F277-I360 HydrophobicContact CE1-CD1 4.5Å; F277-I360 HydrophobicContact CZ-CD1 4.07Å; F277-I360 HydrophobicContact CZ-CG1 4.29Å; F277-I360 HydrophobicContact CZ-CG2 4.32Å
278	R	97.5	Very high	95.4	Very high	79 Å²	79	25.9 Å²	25.9	30%	0.298	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.9	170.1	-88.7	173.3	-177.5	156.9	1.8	109.8	V266 V268 D269 M271 Y280 E285	V266-R278 HydrophobicContact CG1-CG 4.46Å; V268-R278 WeakPolarHBondContact O-CA 3.41Å; D269-R278 HydrophobicContact CB-CG 4.42Å; D269-R278 VanDerWaalsContact CG-NE 3.32Å; D269-R278 WeakPolarHBondContact OD1-CG 3.37Å; D269-R278 IonicContact OD1-CZ 2.68Å; D269-R278 IonicContact OD1-NE 2.88Å; D269-R278 PolarHBondContact OD1-NE 2.83Å; D269-R278 IonicContact OD1-NH2 3.49Å; D269-R278 IonicContact OD2-CZ 3.72Å; D269-R278 IonicContact OD2-NE 2.72Å; D269-R278 PolarHBondContact OD2-NE 3.45Å; D269-R278 IonicContact OD2-NH2 3.24Å; D269-R278 PolarHBondContact OD2-NH2 2.86Å; M271-R278 HydrophobicContact CB-CG 3.79Å; M271-R278 HydrophobicContact CG-CG 4.45Å; R278-Y280 HydrophobicContact CB-CD2 4.4Å; R278-Y280 HydrophobicContact CB-CE2 3.72Å; R278-E285 PolarHBondContact N-O 2.56Å; R278-E285 PolarHBondContact O-N 3.2Å
279	I	97.3	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.1	170	-50.5	-173.1	0	0	0	106.5	F255 I267 V268 F277 I284 Y297 F305	F255-I279 HydrophobicContact CD1-CD1 4.47Å; F255-I279 HydrophobicContact CE1-CD1 3.61Å; F255-I279 HydrophobicContact CE1-CG2 4.07Å; F255-I279 HydrophobicContact CE2-CG2 3.98Å; F255-I279 HydrophobicContact CZ-CD1 4.03Å; F255-I279 HydrophobicContact CZ-CG2 3.38Å; I267-I279 HydrophobicContact CD1-CB 4.45Å; I267-I279 HydrophobicContact CD1-CG2 3.62Å; I267-I279 HydrophobicContact CG1-CB 4Å; I267-I279 HydrophobicContact CG1-CG2 3.69Å; I267-I279 VanDerWaalsContact CG1-O 3.23Å; I267-I279 WeakPolarHBondContact CG1-O 3.14Å; I267-I279 PolarHBondContact N-O 3.04Å; V268-I279 HydrophobicContact CB-CB 3.85Å; V268-I279 HydrophobicContact CB-CD1 4.06Å; V268-I279 HydrophobicContact CB-CG1 3.95Å; V268-I279 HydrophobicContact CG2-CB 4.18Å; V268-I279 HydrophobicContact CG2-CD1 4.06Å; V268-I279 HydrophobicContact CG2-CG1 4.38Å; V268-I279 PolarHBondContact N-O 2.84Å; V268-I279 VanDerWaalsContact N-O 3.12Å; V268-I279 PolarHBondContact O-N 2.79Å; F277-I279 HydrophobicContact CD2-CG1 4.23Å; I279-I284 HydrophobicContact CB-CG1 4.41Å; I279-I284 HydrophobicContact CG1-CG1 4.18Å; I279-I284 HydrophobicContact CG2-CG1 3.9Å; I279-Y297 HydrophobicContact CG2-CE1 4.11Å; I279-F305 HydrophobicContact CD1-CB 3.94Å; I279-F305 HydrophobicContact CD1-CD1 4.02Å; I279-F305 HydrophobicContact CD1-CD2 4.2Å; I279-F305 HydrophobicContact CD1-CG 3.8Å
280	Y	96.4	Very high	94.3	Very high	30 Å²	30	31.2 Å²	31.2	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	168.1	172.5	-56.9	-94.1	0	0	0	109	N264 A265 V266 R278 N282 K283 E285 Y297	N264-Y280 VanDerWaalsContact O-CD1 3.28Å; N264-Y280 WeakPolarHBondContact O-CD1 3.42Å; A265-Y280 CarbonylContact O-C 3.56Å; A265-Y280 WeakPolarHBondContact O-CA 3.22Å; V266-Y280 HydrophobicContact CG2-CD1 3.73Å; V266-Y280 HydrophobicContact CG2-CE1 3.5Å; V266-Y280 VanDerWaalsContact CG2-CE1 3.5Å; R278-Y280 HydrophobicContact CB-CD2 4.4Å; R278-Y280 HydrophobicContact CB-CE2 3.72Å; Y280-N282 PolarHBondContact O-N 3.34Å; Y280-K283 WeakPolarHBondContact CA-O 3.17Å; Y280-K283 WeakPolarHBondContact CB-O 3.43Å; Y280-K283 HydrophobicContact CD2-CD 4.35Å; Y280-K283 HydrophobicContact CD2-CG 3.6Å; Y280-K283 HydrophobicContact CE2-CG 4.47Å; Y280-K283 HydrophobicContact CG-CG 3.93Å; Y280-K283 PolarHBondContact N-O 2.81Å; Y280-E285 HydrophobicContact CE2-CB 3.96Å; Y280-E285 PolarHBondContact OH-OE2 3.18Å; Y280-Y297 VanDerWaalsContact O-CE1 3.31Å; Y280-Y297 WeakPolarHBondContact O-CE1 3.4Å; Y280-Y297 VanDerWaalsContact O-CZ 3.24Å; Y280-Y297 PolarHBondContact O-OH 2.94Å
281	A	93.9	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-56.9	-33.2	178.2	0	0	0	0	0	113.5	T257 C260 A265 Y297 E299	T257-A281 HydrophobicContact CG2-CB 4.49Å; C260-A281 HydrophobicContact CB-CB 4.48Å; A265-A281 PolarHBondContact O-N 2.74Å; A281-Y297 WeakPolarHBondContact O-CE2 3.45Å; A281-Y297 PolarHBondContact O-OH 3.31Å; A281-Y297 VanDerWaalsContact O-OH 3.08Å; A281-E299 HydrophobicContact CB-CG 4.43Å; A281-E299 WeakPolarHBondContact O-CG 3.43Å
282	N	92.2	Very high	93.6	Very high	19 Å²	19	39.9 Å²	39.9	10%	0.102	20%	0.202	C	C	.	.	S	Bend	trans	-114.8	-6.1	-176.2	67.9	2.1	0	0	0	116.1	E263 Y280 Y296 Y297 E299	E263-N282 PolarHBondContact O-N 2.88Å; E263-N282 PolarHBondContact O-ND2 3.27Å; E263-N282 PolarHBondContact O-OD1 3.46Å; Y280-N282 PolarHBondContact O-N 3.34Å; N282-Y296 WeakPolarHBondContact O-CA 3.12Å; N282-Y297 PolarHBondContact O-N 3.44Å; N282-Y297 VanDerWaalsContact O-O 3.1Å; N282-E299 HydrophobicContact CB-CG 4.03Å
283	K	94.8	Very high	93.6	Very high	35 Å²	35	39.9 Å²	39.9	15%	0.152	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	163.2	-174.1	73.4	-166.2	177.6	-150	0	113.2	N264 Y280 I294 T295 Y296	N264-K283 PolarHBondContact OD1-NZ 3.1Å; Y280-K283 WeakPolarHBondContact CA-O 3.17Å; Y280-K283 WeakPolarHBondContact CB-O 3.43Å; Y280-K283 HydrophobicContact CD2-CD 4.35Å; Y280-K283 HydrophobicContact CD2-CG 3.6Å; Y280-K283 HydrophobicContact CE2-CG 4.47Å; Y280-K283 HydrophobicContact CG-CG 3.93Å; Y280-K283 PolarHBondContact N-O 2.81Å; K283-I294 HydrophobicContact CB-CG2 4.31Å; K283-I294 HydrophobicContact CD-CG2 4.33Å; K283-T295 CarbonylContact C-O 3.54Å; K283-T295 VanDerWaalsContact CA-O 3.29Å; K283-T295 WeakPolarHBondContact CA-O 3.41Å; K283-T295 WeakPolarHBondContact CB-O 3.31Å; K283-Y296 HydrophobicContact CB-CD1 3.9Å; K283-Y296 HydrophobicContact CB-CE1 4.16Å; K283-Y296 HydrophobicContact CB-CG 4.35Å; K283-Y296 HydrophobicContact CD-CE1 4.22Å
284	I	96.7	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135	176.1	-66.9	155.2	0	0	0	108	I279 V286 I294 T295 Y297 I303 F305 L335 I337	I279-I284 HydrophobicContact CB-CG1 4.41Å; I279-I284 HydrophobicContact CG1-CG1 4.18Å; I279-I284 HydrophobicContact CG2-CG1 3.9Å; I284-V286 HydrophobicContact CG2-CG2 4.31Å; I284-I294 VanDerWaalsContact O-CA 3.29Å; I284-I294 WeakPolarHBondContact O-CA 3.4Å; I284-T295 HydrophobicContact CB-CG2 4.03Å; I284-T295 HydrophobicContact CD1-CG2 4.38Å; I284-T295 PolarHBondContact N-O 3.48Å; I284-T295 PolarHBondContact O-N 3.06Å; I284-Y297 HydrophobicContact CD1-CD1 3.89Å; I284-Y297 HydrophobicContact CD1-CE1 4.16Å; I284-Y297 HydrophobicContact CG1-CD1 3.98Å; I284-Y297 HydrophobicContact CG1-CE1 3.89Å; I284-I303 HydrophobicContact CD1-CD1 4.14Å; I284-F305 HydrophobicContact CD1-CD2 4.09Å; I284-F305 HydrophobicContact CG2-CD2 3.86Å; I284-F305 HydrophobicContact CG2-CE2 3.64Å; I284-L335 HydrophobicContact CG2-CD1 4.33Å; I284-L335 HydrophobicContact CG2-CD2 4.17Å; I284-I337 HydrophobicContact CD1-CD1 3.29Å; I284-I337 HydrophobicContact CD1-CG1 4.48Å
285	E	96.6	Very high	94.1	Very high	20 Å²	20	32.4 Å²	32.4	9%	0.093	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.1	174.8	175.9	171.5	-178.9	0	0	109.6	M271 F277 R278 Y280 R292	M271-E285 HydrophobicContact CE-CG 4.1Å; F277-E285 CarbonylContact C-O 3.37Å; F277-E285 WeakPolarHBondContact CA-O 3.15Å; F277-E285 WeakPolarHBondContact CB-O 3.4Å; R278-E285 PolarHBondContact N-O 2.56Å; R278-E285 PolarHBondContact O-N 3.2Å; Y280-E285 HydrophobicContact CE2-CB 3.96Å; Y280-E285 PolarHBondContact OH-OE2 3.18Å; E285-R292 HydrophobicContact CG-CG 4.32Å; E285-R292 IonicContact OE1-CZ 3.32Å; E285-R292 VanDerWaalsContact OE1-CZ 3.23Å; E285-R292 IonicContact OE1-NE 2.83Å; E285-R292 PolarHBondContact OE1-NE 2.9Å; E285-R292 IonicContact OE1-NH2 3.88Å; E285-R292 PolarHBondContact OE1-NH2 2.94Å; E285-R292 VanDerWaalsContact OE1-NH2 3.17Å; E285-R292 IonicContact OE2-CZ 3.85Å; E285-R292 IonicContact OE2-NE 2.75Å; E285-R292 IonicContact OE2-NH2 3.14Å; E285-R292 PolarHBondContact OE2-NH2 2.96Å
286	V	97	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.9	170.6	179.9	0	0	0	0	107.7	F277 I284 R292 V293 F305 L307 L335	F277-V286 HydrophobicContact CB-CG2 4.12Å; I284-V286 HydrophobicContact CG2-CG2 4.31Å; V286-R292 WeakPolarHBondContact O-CA 3.36Å; V286-V293 HydrophobicContact CB-CG2 3.86Å; V286-V293 PolarHBondContact N-O 3.33Å; V286-V293 PolarHBondContact O-N 3Å; V286-F305 HydrophobicContact CG2-CE2 4.33Å; V286-L307 HydrophobicContact CG1-CD1 3.83Å; V286-L307 HydrophobicContact CG1-CD2 3.96Å; V286-L307 HydrophobicContact CG2-CD1 4.19Å; V286-L307 HydrophobicContact CG2-CD2 4.26Å; V286-L335 HydrophobicContact CG2-CD1 4.46Å; V286-L335 HydrophobicContact CG2-CD2 4.28Å
287	K	94.7	Very high	93.5	Very high	63 Å²	63	40.8 Å²	40.8	27%	0.274	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.1	-174.5	-169.7	-173.4	173.2	-175.8	0	110.7	M271 D273 T274 T275 G276 R292	M271-K287 HydrophobicContact CE-CB 3.7Å; M271-K287 HydrophobicContact SD-CB 3.94Å; M271-K287 HydrophobicContact SD-CD 4.38Å; D273-K287 PolarHBondContact O-NZ 3.46Å; T274-K287 WeakPolarHBondContact O-CG 3.43Å; T275-K287 WeakPolarHBondContact CA-O 3.49Å; G276-K287 PolarHBondContact N-O 3.13Å; G276-K287 PolarHBondContact O-N 2.77Å; K287-R292 HydrophobicContact CG-CB 4.29Å
288	C	92.6	Very high	92.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.218	C	C	.	.			trans	-128.3	177.5	163.2	67.8	0	0	0	0	109.3	T274 T290 D291 A350 W352	T274-C288 CarbonylContact O-C 3.55Å; T274-C288 WeakPolarHBondContact O-CA 3.45Å; T274-C288 VanDerWaalsContact O-O 3.13Å; C288-T290 PolarHBondContact O-N 2.84Å; C288-D291 PolarHBondContact N-O 3.01Å; C288-D291 PolarHBondContact O-N 3.16Å; C288-D291 VanDerWaalsContact O-O 3.09Å; C288-D291 PolarHBondContact SG-N 2.81Å; C288-D291 PolarHBondContact SG-O 3.5Å; C288-A350 HydrophobicContact CB-CB 4.09Å; C288-W352 HydrophobicContact CB-CD2 4.34Å; C288-W352 HydrophobicContact CB-CE3 4.18Å; C288-W352 HydrophobicContact CB-CH2 3.65Å; C288-W352 HydrophobicContact CB-CZ2 3.78Å; C288-W352 HydrophobicContact CB-CZ3 3.85Å
289	S	86.6	Confident	92.4	Very high	66 Å²	66	43.9 Å²	43.9	46%	0.462	22%	0.218	S	C	.	.	S	Bend	trans	-56.7	-24.1	-175.8	59.1	0	0	0	0	115.2	T274	T274-S289 PolarHBondContact O-N 2.57Å
290	T	86.1	Confident	92	Very high	94 Å²	94	47.8 Å²	47.8	58%	0.577	24%	0.242	S	C	*	.	S	Bend	trans	-112.8	-21.9	-174.3	54.1	0	0	0	0	114.2	C288 A350	C288-T290 PolarHBondContact O-N 2.84Å; T290-A350 HydrophobicContact CG2-CB 4.34Å; T290-A350 WeakPolarHBondContact OG1-CB 3.44Å
291	D	88.9	Confident	91.6	Very high	73 Å²	73	50.2 Å²	50.2	39%	0.39	25%	0.253	S	S	.	.			trans	-151.1	161.6	-169.7	-152.9	-7.5	0	0	0	112.2	C288 F345	C288-D291 PolarHBondContact N-O 3.01Å; C288-D291 PolarHBondContact O-N 3.16Å; C288-D291 VanDerWaalsContact O-O 3.09Å; C288-D291 PolarHBondContact SG-N 2.81Å; C288-D291 PolarHBondContact SG-O 3.5Å; D291-F345 HydrophobicContact CB-CD2 4.44Å; D291-F345 HydrophobicContact CB-CE2 4.42Å
292	R	91.3	Very high	91.6	Very high	122 Å²	122	51 Å²	51	46%	0.46	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135	-176.7	178.6	-166.8	-175.9	-160.3	3.8	109.8	E285 V286 K287 I294	E285-R292 HydrophobicContact CG-CG 4.32Å; E285-R292 IonicContact OE1-CZ 3.32Å; E285-R292 VanDerWaalsContact OE1-CZ 3.23Å; E285-R292 IonicContact OE1-NE 2.83Å; E285-R292 PolarHBondContact OE1-NE 2.9Å; E285-R292 IonicContact OE1-NH2 3.88Å; E285-R292 PolarHBondContact OE1-NH2 2.94Å; E285-R292 VanDerWaalsContact OE1-NH2 3.17Å; E285-R292 IonicContact OE2-CZ 3.85Å; E285-R292 IonicContact OE2-NE 2.75Å; E285-R292 IonicContact OE2-NH2 3.14Å; E285-R292 PolarHBondContact OE2-NH2 2.96Å; V286-R292 WeakPolarHBondContact O-CA 3.36Å; K287-R292 HydrophobicContact CG-CB 4.29Å; R292-I294 VanDerWaalsContact CZ-CD1 3.44Å
293	V	93.5	Very high	91.6	Very high	19 Å²	19	50.4 Å²	50.4	12%	0.115	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.8	170	-62.3	0	0	0	0	111.5	V286 F345	V286-V293 HydrophobicContact CB-CG2 3.86Å; V286-V293 PolarHBondContact N-O 3.33Å; V286-V293 PolarHBondContact O-N 3Å; V293-F345 HydrophobicContact CB-CD1 4.26Å; V293-F345 HydrophobicContact CB-CE1 4.3Å; V293-F345 HydrophobicContact CG1-CB 4.13Å; V293-F345 HydrophobicContact CG1-CD1 3.41Å; V293-F345 VanDerWaalsContact CG1-CD1 3.41Å; V293-F345 HydrophobicContact CG1-CD2 4.44Å; V293-F345 HydrophobicContact CG1-CE1 3.82Å; V293-F345 HydrophobicContact CG1-CG 3.76Å; V293-F345 HydrophobicContact CG1-CZ 4.5Å; V293-F345 HydrophobicContact CG2-CD1 3.83Å; V293-F345 HydrophobicContact CG2-CE1 3.47Å; V293-F345 VanDerWaalsContact CG2-CE1 3.47Å; V293-F345 HydrophobicContact CG2-CZ 4.29Å
294	I	93.8	Very high	91.7	Very high	50 Å²	50	48.8 Å²	48.8	26%	0.256	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.8	173.9	-55.9	174.2	0	0	0	108.9	K283 I284 R292 Y296 R343	K283-I294 HydrophobicContact CB-CG2 4.31Å; K283-I294 HydrophobicContact CD-CG2 4.33Å; I284-I294 VanDerWaalsContact O-CA 3.29Å; I284-I294 WeakPolarHBondContact O-CA 3.4Å; R292-I294 VanDerWaalsContact CZ-CD1 3.44Å; I294-Y296 HydrophobicContact CG2-CE2 4.34Å; I294-R343 PolarHBondContact O-NE 2.88Å; I294-R343 PolarHBondContact O-NH2 2.99Å
295	T	93.4	Very high	91.8	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.8	166.7	-165.6	0	0	0	0	110.4	K283 I284 L335 V342	K283-T295 CarbonylContact C-O 3.54Å; K283-T295 VanDerWaalsContact CA-O 3.29Å; K283-T295 WeakPolarHBondContact CA-O 3.41Å; K283-T295 WeakPolarHBondContact CB-O 3.31Å; I284-T295 HydrophobicContact CB-CG2 4.03Å; I284-T295 HydrophobicContact CD1-CG2 4.38Å; I284-T295 PolarHBondContact N-O 3.48Å; I284-T295 PolarHBondContact O-N 3.06Å; T295-L335 HydrophobicContact CG2-CD2 3.59Å; T295-L335 HydrophobicContact CG2-CG 4.43Å; T295-V342 HydrophobicContact CG2-CG2 3.98Å
296	Y	91.7	Very high	91.9	Very high	161 Å²	161	47.9 Å²	47.9	63%	0.631	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	154.2	176.4	-68.5	-94.5	0	0	0	110.3	N282 K283 I294	N282-Y296 WeakPolarHBondContact O-CA 3.12Å; K283-Y296 HydrophobicContact CB-CD1 3.9Å; K283-Y296 HydrophobicContact CB-CE1 4.16Å; K283-Y296 HydrophobicContact CB-CG 4.35Å; K283-Y296 HydrophobicContact CD-CE1 4.22Å; I294-Y296 HydrophobicContact CG2-CE2 4.34Å
297	Y	90.4	Very high	91.9	Very high	16 Å²	16	47.9 Å²	47.9	6%	0.063	24%	0.242	C	C	.	.			trans	-146.2	153.2	171.6	71.5	-87.4	0	0	0	109.3	F255 T257 I267 I279 Y280 A281 N282 I284 E299 I303	F255-Y297 HydrophobicContact CE2-CE2 4.11Å; F255-Y297 AromaticContact CE2-CZ 3.92Å; F255-Y297 WeakPolarHBondContact CE2-OH 3.46Å; F255-Y297 HydrophobicContact CZ-CE2 4.45Å; T257-Y297 HydrophobicContact CG2-CE2 4.49Å; I267-Y297 VanDerWaalsContact CD1-OH 3.26Å; I267-Y297 WeakPolarHBondContact CD1-OH 3.33Å; I279-Y297 HydrophobicContact CG2-CE1 4.11Å; Y280-Y297 VanDerWaalsContact O-CE1 3.31Å; Y280-Y297 WeakPolarHBondContact O-CE1 3.4Å; Y280-Y297 VanDerWaalsContact O-CZ 3.24Å; Y280-Y297 PolarHBondContact O-OH 2.94Å; A281-Y297 WeakPolarHBondContact O-CE2 3.45Å; A281-Y297 PolarHBondContact O-OH 3.31Å; A281-Y297 VanDerWaalsContact O-OH 3.08Å; N282-Y297 PolarHBondContact O-N 3.44Å; N282-Y297 VanDerWaalsContact O-O 3.1Å; I284-Y297 HydrophobicContact CD1-CD1 3.89Å; I284-Y297 HydrophobicContact CD1-CE1 4.16Å; I284-Y297 HydrophobicContact CG1-CD1 3.98Å; I284-Y297 HydrophobicContact CG1-CE1 3.89Å; Y297-E299 PolarHBondContact O-N 3.35Å; Y297-I303 HydrophobicContact CD1-CD1 3.87Å; Y297-I303 HydrophobicContact CD2-CD1 3.36Å; Y297-I303 HydrophobicContact CD2-CG1 4.02Å; Y297-I303 HydrophobicContact CD2-CG2 4.22Å; Y297-I303 HydrophobicContact CE1-CD1 4.03Å; Y297-I303 HydrophobicContact CE2-CD1 3.53Å; Y297-I303 HydrophobicContact CE2-CG1 4.06Å; Y297-I303 HydrophobicContact CG-CD1 3.52Å
298	P	85.4	Confident	92.1	Very high	82 Å²	82	45 Å²	45	53%	0.532	23%	0.229	S	C	.	.			trans	-69	129.8	-179.6	26.5	-33.1	0	0	0	111.3	K301	P298-K301 HydrophobicContact CB-CB 4.48Å; P298-K301 HydrophobicContact CB-CG 3.86Å; P298-K301 HydrophobicContact CG-CB 3.97Å; P298-K301 HydrophobicContact CG-CG 3.63Å
299	E	87.2	Confident	92.3	Very high	63 Å²	63	45 Å²	45	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	157.4	168.2	-66.7	178.6	-147.6	0	0	110.7	E263 A281 N282 Y297 K301	E263-E299 WeakPolarHBondContact CB-OE1 3.2Å; A281-E299 HydrophobicContact CB-CG 4.43Å; A281-E299 WeakPolarHBondContact O-CG 3.43Å; N282-E299 HydrophobicContact CB-CG 4.03Å; Y297-E299 PolarHBondContact O-N 3.35Å; E299-K301 PolarHBondContact O-N 3.49Å
300	T	88.3	Confident	92.7	Very high	81 Å²	81	42.9 Å²	42.9	50%	0.497	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	4.4	179.7	71	0	0	0	0	116	T257	T257-T300 WeakPolarHBondContact O-CA 3.22Å; T257-T300 PolarHBondContact O-N 2.85Å; T257-T300 PolarHBondContact OG1-N 3.31Å
301	K	89.1	Confident	93.2	Very high	82 Å²	82	38.4 Å²	38.4	36%	0.357	19%	0.186	S	C	.	.	S	Bend	trans	-98.5	141.1	172.2	-61.8	-54.2	-170.7	-177.6	0	110.8	P298 E299 I303 D408	P298-K301 HydrophobicContact CB-CB 4.48Å; P298-K301 HydrophobicContact CB-CG 3.86Å; P298-K301 HydrophobicContact CG-CB 3.97Å; P298-K301 HydrophobicContact CG-CG 3.63Å; E299-K301 PolarHBondContact O-N 3.49Å; K301-I303 PolarHBondContact O-N 3.45Å; K301-D408 IonicContact NZ-OD1 2.66Å; K301-D408 PolarHBondContact NZ-OD1 3.48Å
302	R	92.4	Very high	93.4	Very high	17 Å²	17	38.6 Å²	38.6	6%	0.064	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.8	166.2	-178.9	-161.1	-175.5	103.7	31.7	109.3	E254 F255 E256 Y372 D396	E254-R302 IonicContact OE1-CZ 2.89Å; E254-R302 IonicContact OE1-NE 3.92Å; E254-R302 PolarHBondContact OE1-NE 2.81Å; E254-R302 IonicContact OE1-NH2 3.91Å; E254-R302 PolarHBondContact OE1-NH2 3.07Å; E254-R302 IonicContact OE2-NH2 3.97Å; F255-R302 CarbonylContact O-C 3.53Å; F255-R302 WeakPolarHBondContact O-CA 3.32Å; E256-R302 HydrophobicContact CB-CB 4.41Å; R302-Y372 HydrophobicContact CG-CD2 4.2Å; R302-Y372 HydrophobicContact CG-CE2 3.89Å; R302-Y372 VanDerWaalsContact NH2-CB 3.34Å; R302-Y372 VanDerWaalsContact NH2-CD1 3.34Å; R302-D396 IonicContact NH1-OD2 2.72Å; R302-D396 PolarHBondContact NH1-OD2 3.3Å; R302-D396 VanDerWaalsContact NH1-OD2 3.13Å
303	I	94.1	Very high	93.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.2	175.4	61.3	155.6	0	0	0	112	E254 F255 I284 Y297 K301 I337 N338	E254-I303 CarbonylContact C-O 3.54Å; E254-I303 WeakPolarHBondContact CA-O 3.48Å; F255-I303 HydrophobicContact CD2-CG1 4.35Å; F255-I303 HydrophobicContact CE1-CD1 3.92Å; F255-I303 HydrophobicContact CE1-CG1 3.89Å; F255-I303 HydrophobicContact CE2-CD1 3.86Å; F255-I303 HydrophobicContact CE2-CG1 3.67Å; F255-I303 HydrophobicContact CZ-CD1 3.27Å; F255-I303 HydrophobicContact CZ-CG1 3.43Å; F255-I303 VanDerWaalsContact CZ-CG1 3.43Å; F255-I303 PolarHBondContact N-O 3.24Å; F255-I303 PolarHBondContact O-N 2.95Å; F255-I303 VanDerWaalsContact O-O 3.11Å; I284-I303 HydrophobicContact CD1-CD1 4.14Å; Y297-I303 HydrophobicContact CD1-CD1 3.87Å; Y297-I303 HydrophobicContact CD2-CD1 3.36Å; Y297-I303 HydrophobicContact CD2-CG1 4.02Å; Y297-I303 HydrophobicContact CD2-CG2 4.22Å; Y297-I303 HydrophobicContact CE1-CD1 4.03Å; Y297-I303 HydrophobicContact CE2-CD1 3.53Å; Y297-I303 HydrophobicContact CE2-CG1 4.06Å; Y297-I303 HydrophobicContact CG-CD1 3.52Å; K301-I303 PolarHBondContact O-N 3.45Å; I303-I337 HydrophobicContact CB-CG2 4.21Å; I303-I337 HydrophobicContact CG2-CG2 4.29Å; I303-N338 VanDerWaalsContact CA-OD1 3.29Å; I303-N338 WeakPolarHBondContact CA-OD1 3.38Å
304	K	96.7	Very high	93.5	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110	167.5	-173.1	167.5	-174.6	154.4	0	110.2	E254 I337 N338 N389 F390 D393	E254-K304 HydrophobicContact CB-CB 4.12Å; E254-K304 HydrophobicContact CB-CD 4.35Å; E254-K304 HydrophobicContact CB-CG 4.07Å; E254-K304 HydrophobicContact CG-CB 4Å; E254-K304 HydrophobicContact CG-CG 4.45Å; K304-I337 CarbonylContact O-C 3.49Å; K304-I337 VanDerWaalsContact O-CA 3.3Å; K304-I337 WeakPolarHBondContact O-CA 3.45Å; K304-N338 PolarHBondContact N-OD1 3.48Å; K304-N338 PolarHBondContact O-N 2.94Å; K304-N389 PolarHBondContact NZ-O 2.89Å; K304-F390 HydrophobicContact CB-CD2 3.64Å; K304-F390 HydrophobicContact CB-CE2 4.11Å; K304-F390 HydrophobicContact CB-CG 4.41Å; K304-F390 HydrophobicContact CD-CB 3.81Å; K304-F390 HydrophobicContact CD-CD2 3.75Å; K304-F390 HydrophobicContact CD-CG 4.21Å; K304-F390 HydrophobicContact CG-CD2 4.36Å; K304-D393 IonicContact NZ-OD2 3.09Å; K304-D393 PolarHBondContact NZ-OD2 3.01Å
305	F	97.7	Very high	93.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.8	167.6	163.8	-97.9	0	0	0	109.6	E252 I253 F255 F277 I279 I284 V286 L307 L335	E252-F305 CarbonylContact C-O 3.5Å; E252-F305 WeakPolarHBondContact CA-O 3.18Å; E252-F305 WeakPolarHBondContact CB-O 3.35Å; I253-F305 HydrophobicContact CB-CD1 4.5Å; I253-F305 PolarHBondContact N-O 3.32Å; I253-F305 PolarHBondContact O-N 3.27Å; F255-F305 HydrophobicContact CE1-CB 4.11Å; F277-F305 HydrophobicContact CB-CZ 4.25Å; F277-F305 HydrophobicContact CD1-CZ 4.44Å; F277-F305 AromaticContact CD2-CE1 3.96Å; F277-F305 HydrophobicContact CD2-CE1 3.96Å; F277-F305 AromaticContact CD2-CZ 3.8Å; F277-F305 HydrophobicContact CD2-CZ 3.8Å; F277-F305 AromaticContact CE2-CE1 3.94Å; F277-F305 HydrophobicContact CE2-CE1 3.94Å; F277-F305 HydrophobicContact CE2-CZ 4.27Å; F277-F305 HydrophobicContact CG-CE1 4.33Å; F277-F305 AromaticContact CG-CZ 3.91Å; F277-F305 HydrophobicContact CG-CZ 3.91Å; F277-F305 HydrophobicContact CZ-CE1 4.3Å; I279-F305 HydrophobicContact CD1-CB 3.94Å; I279-F305 HydrophobicContact CD1-CD1 4.02Å; I279-F305 HydrophobicContact CD1-CD2 4.2Å; I279-F305 HydrophobicContact CD1-CG 3.8Å; I284-F305 HydrophobicContact CD1-CD2 4.09Å; I284-F305 HydrophobicContact CG2-CD2 3.86Å; I284-F305 HydrophobicContact CG2-CE2 3.64Å; V286-F305 HydrophobicContact CG2-CE2 4.33Å; F305-L307 HydrophobicContact CE1-CB 3.88Å; F305-L307 HydrophobicContact CE2-CB 4.06Å; F305-L307 HydrophobicContact CZ-CB 3.41Å; F305-L307 VanDerWaalsContact CZ-CB 3.41Å; F305-L307 HydrophobicContact CZ-CD2 4.11Å; F305-L307 HydrophobicContact CZ-CG 4.37Å; F305-L335 HydrophobicContact CD2-CD1 3.52Å; F305-L335 HydrophobicContact CE2-CD1 3.33Å; F305-L335 HydrophobicContact CZ-CD1 4.42Å
306	S	98.2	Very high	93.2	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	117.5	172.2	-179.3	0	0	0	0	109.2	I251 E252 L335 C336	I251-S306 WeakPolarHBondContact O-CA 3.49Å; E252-S306 WeakPolarHBondContact CG-OG 3.17Å; E252-S306 VanDerWaalsContact OE1-CB 3.29Å; E252-S306 WeakPolarHBondContact OE1-CB 3.46Å; E252-S306 PolarHBondContact OE1-OG 3.4Å; S306-L335 WeakPolarHBondContact O-CA 3.37Å; S306-C336 PolarHBondContact N-O 3.29Å; S306-C336 PolarHBondContact O-N 3.19Å
307	L	98.2	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.6	177	171.3	62.5	0	0	0	108.4	F236 T250 I251 F277 V286 F305 I309 V333 Y334	F236-L307 HydrophobicContact CZ-CD2 4.22Å; T250-L307 CarbonylContact C-O 3.52Å; T250-L307 VanDerWaalsContact CA-O 3.22Å; T250-L307 WeakPolarHBondContact CA-O 3.33Å; I251-L307 HydrophobicContact CD1-CD2 4.37Å; I251-L307 PolarHBondContact N-O 2.87Å; I251-L307 PolarHBondContact O-N 2.92Å; F277-L307 HydrophobicContact CB-CD2 4.34Å; F277-L307 HydrophobicContact CD1-CD2 4.14Å; F277-L307 HydrophobicContact CG-CD2 4.49Å; V286-L307 HydrophobicContact CG1-CD1 3.83Å; V286-L307 HydrophobicContact CG1-CD2 3.96Å; V286-L307 HydrophobicContact CG2-CD1 4.19Å; V286-L307 HydrophobicContact CG2-CD2 4.26Å; F305-L307 HydrophobicContact CE1-CB 3.88Å; F305-L307 HydrophobicContact CE2-CB 4.06Å; F305-L307 HydrophobicContact CZ-CB 3.41Å; F305-L307 VanDerWaalsContact CZ-CB 3.41Å; F305-L307 HydrophobicContact CZ-CD2 4.11Å; F305-L307 HydrophobicContact CZ-CG 4.37Å; L307-I309 HydrophobicContact CD1-CG1 4.24Å; L307-I309 HydrophobicContact CD2-CD1 4.36Å; L307-I309 HydrophobicContact CG-CD1 4.36Å; L307-I309 HydrophobicContact CG-CG1 4.36Å; L307-V333 HydrophobicContact CD1-CG1 3.35Å; L307-Y334 WeakPolarHBondContact CA-O 3.37Å
308	S	97.9	Very high	92.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.4	175.9	-67.7	0	0	0	0	110	T250 V333 Y334 I381	T250-S308 WeakPolarHBondContact OG1-CB 3.21Å; T250-S308 PolarHBondContact OG1-OG 2.91Å; S308-V333 CarbonylContact O-C 3.59Å; S308-V333 WeakPolarHBondContact O-CA 3.24Å; S308-Y334 PolarHBondContact N-O 2.91Å; S308-Y334 PolarHBondContact O-N 3.44Å; S308-I381 VanDerWaalsContact CB-O 3.22Å; S308-I381 WeakPolarHBondContact CB-O 3.31Å; S308-I381 WeakPolarHBondContact OG-CG1 3.16Å; S308-I381 PolarHBondContact OG-O 3.05Å
309	I	97.3	Very high	91.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.2	175.9	-60.6	153.7	0	0	0	107.4	F236 F240 G248 R249 L307 G311 V333 Y347 W352 S380	F236-I309 HydrophobicContact CE1-CD1 3.77Å; F236-I309 HydrophobicContact CZ-CD1 4.43Å; F240-I309 HydrophobicContact CD2-CB 4.48Å; F240-I309 HydrophobicContact CD2-CG2 4.23Å; F240-I309 HydrophobicContact CE2-CB 3.73Å; F240-I309 HydrophobicContact CE2-CD1 3.61Å; F240-I309 HydrophobicContact CE2-CG1 4.28Å; F240-I309 HydrophobicContact CE2-CG2 3.64Å; F240-I309 HydrophobicContact CZ-CD1 3.69Å; G248-I309 CarbonylContact C-O 3.59Å; G248-I309 WeakPolarHBondContact CA-O 3.37Å; R249-I309 PolarHBondContact N-O 3.06Å; R249-I309 PolarHBondContact O-N 2.91Å; L307-I309 HydrophobicContact CD1-CG1 4.24Å; L307-I309 HydrophobicContact CD2-CD1 4.36Å; L307-I309 HydrophobicContact CG-CD1 4.36Å; L307-I309 HydrophobicContact CG-CG1 4.36Å; I309-G311 PolarHBondContact O-N 3.41Å; I309-V333 HydrophobicContact CB-CG2 4.48Å; I309-V333 HydrophobicContact CG1-CG1 3.93Å; I309-V333 HydrophobicContact CG1-CG2 4.03Å; I309-V333 HydrophobicContact CG2-CG2 4.23Å; I309-Y347 HydrophobicContact CG2-CD1 4.49Å; I309-Y347 HydrophobicContact CG2-CE1 4.03Å; I309-W352 HydrophobicContact CD1-CD2 3.91Å; I309-W352 HydrophobicContact CD1-CE3 3.62Å; I309-W352 HydrophobicContact CD1-CH2 3.87Å; I309-W352 HydrophobicContact CD1-CZ2 4.17Å; I309-W352 HydrophobicContact CD1-CZ3 3.6Å; I309-W352 HydrophobicContact CG1-CH2 4.08Å; I309-W352 HydrophobicContact CG1-CZ2 4.11Å; I309-W352 HydrophobicContact CG1-CZ3 4.33Å; I309-W352 HydrophobicContact CG2-CD2 4.23Å; I309-W352 HydrophobicContact CG2-CG 4.45Å; I309-W352 HydrophobicContact CG2-CZ2 4.06Å; I309-S380 WeakPolarHBondContact O-CB 3.33Å
310	D	95.8	Very high	90.3	Very high	22 Å²	22	43 Å²	43	12%	0.118	24%	0.236	C	C	.	.			trans	-71.1	126.9	177.9	-165.3	-9.2	0	0	0	110.4	T312 T314 L332 Y347	D310-T312 VanDerWaalsContact C-N 3.25Å; D310-T312 PolarHBondContact OD1-N 2.8Å; D310-T312 PolarHBondContact OD1-OG1 3.45Å; D310-T312 PolarHBondContact OD2-OG1 2.89Å; D310-T314 PolarHBondContact OD2-OG1 3.34Å; D310-L332 WeakPolarHBondContact CB-O 3.29Å; D310-L332 PolarHBondContact N-O 3.1Å; D310-Y347 WeakPolarHBondContact O-CE1 3.42Å; D310-Y347 PolarHBondContact O-OH 2.82Å
311	G	95.7	Very high	88.9	Confident	1 Å²	1	41 Å²	41	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	-80.9	-8.9	174.5	0	0	0	0	0	113.3	F240 V242 K246 I309	F240-G311 WeakPolarHBondContact O-CA 3.17Å; V242-G311 WeakPolarHBondContact CG1-O 2.97Å; K246-G311 VanDerWaalsContact CA-O 3.27Å; K246-G311 WeakPolarHBondContact CA-O 3.18Å; K246-G311 WeakPolarHBondContact CB-O 3.42Å; K246-G311 CarbonylContact O-C 3.6Å; I309-G311 PolarHBondContact O-N 3.41Å
312	T	93.7	Very high	87.5	Confident	76 Å²	76	41.1 Å²	41.1	47%	0.466	26%	0.256	S	S	.	.	S	Bend	trans	-110.3	159.5	-176.5	69.4	0	0	0	0	111.8	D310	D310-T312 VanDerWaalsContact C-N 3.25Å; D310-T312 PolarHBondContact OD1-N 2.8Å; D310-T312 PolarHBondContact OD1-OG1 3.45Å; D310-T312 PolarHBondContact OD2-OG1 2.89Å
313	T	95.2	Very high	86.1	Confident	75 Å²	75	43.7 Å²	43.7	46%	0.46	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-85.9	121.9	172.9	-59.7	0	0	0	0	108.9	D329 N331	T313-D329 HydrophobicContact CG2-CB 3.7Å; T313-N331 WeakPolarHBondContact CA-OD1 3.4Å; T313-N331 VanDerWaalsContact CB-OD1 3.29Å; T313-N331 WeakPolarHBondContact CB-OD1 3.47Å; T313-N331 WeakPolarHBondContact CG2-OD1 3.27Å; T313-N331 PolarHBondContact OG1-OD1 3.42Å
314	T	92.3	Very high	85.1	Confident	40 Å²	40	50.2 Å²	50.2	25%	0.245	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.8	175.3	-67.7	0	0	0	0	109.1	D310 T316 V330 L332	D310-T314 PolarHBondContact OD2-OG1 3.34Å; T314-T316 HydrophobicContact CG2-CG2 3.98Å; T314-T316 PolarHBondContact O-N 3.43Å; T314-V330 PolarHBondContact N-O 3.01Å; T314-V330 PolarHBondContact O-N 2.81Å; T314-L332 HydrophobicContact CG2-CD1 4Å
315	H	91.6	Very high	84.3	Confident	98 Å²	98	52.5 Å²	52.5	45%	0.454	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	116.8	167.5	-176	74.1	0	0	0	109.1	E327 D329	H315-E327 IonicContact CE1-OE2 2.73Å; H315-E327 PolarHBondContact CE1-OE2 3.28Å; H315-E327 VanDerWaalsContact CE1-OE2 3.24Å; H315-E327 IonicContact NE2-OE2 3.95Å; H315-E327 PolarHBondContact NE2-OE2 3.04Å; H315-D329 WeakPolarHBondContact CA-OD1 3.38Å; H315-D329 WeakPolarHBondContact CB-OD1 3.36Å; H315-D329 IonicContact CE1-OD1 3.72Å; H315-D329 IonicContact CG-OD1 2.84Å; H315-D329 IonicContact ND1-OD1 3.68Å; H315-D329 PolarHBondContact ND1-OD1 3.12Å
316	T	87.9	Confident	83.7	Confident	47 Å²	47	56.7 Å²	56.7	29%	0.288	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.1	178.3	59.5	0	0	0	0	110.8	T314 E327 K328 V330	T314-T316 HydrophobicContact CG2-CG2 3.98Å; T314-T316 PolarHBondContact O-N 3.43Å; T316-E327 CarbonylContact O-C 3.37Å; T316-E327 VanDerWaalsContact O-CA 3.31Å; T316-E327 WeakPolarHBondContact O-CA 3.45Å; T316-K328 WeakPolarHBondContact CA-O 3.47Å; T316-K328 WeakPolarHBondContact CB-O 3.13Å; T316-K328 PolarHBondContact N-O 3.3Å; T316-K328 PolarHBondContact O-N 2.95Å; T316-K328 PolarHBondContact OG1-O 2.58Å; T316-V330 HydrophobicContact CG2-CG2 3.34Å
317	V	83.9	Confident	83.3	Confident	71 Å²	71	62.7 Å²	62.7	43%	0.43	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.2	175.8	-175	0	0	0	0	107.5	N319 A325 E327	V317-N319 HydrophobicContact CG1-CB 4.33Å; V317-A325 HydrophobicContact CG1-CB 4.02Å; V317-E327 HydrophobicContact CB-CG 4.48Å; V317-E327 HydrophobicContact CG1-CG 4.17Å; V317-E327 HydrophobicContact CG2-CG 4.06Å
318	N	77.5	Confident	83	Confident	79 Å²	79	68.4 Å²	68.4	42%	0.422	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	100.1	167.5	175.8	31.5	0	0	0	108.4	L320 A325 T326	N318-L320 WeakPolarHBondContact OD1-CD2 3.37Å; N318-L320 WeakPolarHBondContact OD1-CG 3.23Å; N318-A325 WeakPolarHBondContact O-CA 3.29Å; N318-T326 WeakPolarHBondContact CB-OG1 3.29Å; N318-T326 PolarHBondContact N-O 3.23Å; N318-T326 PolarHBondContact O-N 2.77Å
319	N	69.6	Low	82.8	Confident	91 Å²	91	73 Å²	73	49%	0.487	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	94	175.1	-176.7	-2	0	0	0	108.9	V317 G321 A325	V317-N319 HydrophobicContact CG1-CB 4.33Å; N319-G321 PolarHBondContact O-N 3.28Å; N319-G321 WeakPolarHBondContact OD1-CA 3.13Å; N319-G321 PolarHBondContact OD1-N 3.12Å; N319-A325 HydrophobicContact CB-CB 4.43Å
320	L	63.7	Low	82.6	Confident	114 Å²	114	73.5 Å²	73.5	60%	0.597	45%	0.447	S	S	*	.			trans	-76.6	7.5	176.8	-62.3	176.8	0	0	0	112.8	N318 P508	N318-L320 WeakPolarHBondContact OD1-CD2 3.37Å; N318-L320 WeakPolarHBondContact OD1-CG 3.23Å; L320-P508 VanDerWaalsContact O-CB 3.27Å; L320-P508 WeakPolarHBondContact O-CB 3.44Å; L320-P508 WeakPolarHBondContact O-CD 3.04Å; L320-P508 WeakPolarHBondContact O-CG 3.35Å
321	G	57.9	Low	82.6	Confident	37 Å²	37	73 Å²	73	38%	0.381	44%	0.444	S	S	.	.	S	Bend	trans	70.9	156.9	-166.5	0	0	0	0	0	112.3	N319	N319-G321 PolarHBondContact O-N 3.28Å; N319-G321 WeakPolarHBondContact OD1-CA 3.13Å; N319-G321 PolarHBondContact OD1-N 3.12Å
322	G	59.8	Low	82.5	Confident	86 Å²	86	73.5 Å²	73.5	89%	0.887	45%	0.446	S	S	*	.	S	Bend	trans	99.7	-1.3	-179.5	0	0	0	0	0	116.1
323	G	63.1	Low	82.6	Confident	70 Å²	70	69.9 Å²	69.9	72%	0.722	42%	0.424	S	S	*	.	S	Bend	trans	103.4	-16.1	170.4	0	0	0	0	0	115.7
324	D	73.9	Confident	82.6	Confident	143 Å²	143	68.2 Å²	68.2	77%	0.765	41%	0.41	S	S	*	.			trans	-98	91.8	178	-66.9	-30.8	0	0	0	110.6
325	A	80.1	Confident	82.9	Confident	49 Å²	49	66.3 Å²	66.3	41%	0.405	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.4	169.8	0	0	0	0	0	109.9	V317 N318 N319	V317-A325 HydrophobicContact CG1-CB 4.02Å; N318-A325 WeakPolarHBondContact O-CA 3.29Å; N319-A325 HydrophobicContact CB-CB 4.43Å
326	T	84.5	Confident	83.1	Confident	88 Å²	88	61.8 Å²	61.8	54%	0.54	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.1	169.2	57.3	0	0	0	0	109.3	N318	N318-T326 WeakPolarHBondContact CB-OG1 3.29Å; N318-T326 PolarHBondContact N-O 3.23Å; N318-T326 PolarHBondContact O-N 2.77Å
327	E	90	Very high	83.5	Confident	128 Å²	128	60.5 Å²	60.5	60%	0.598	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	143.9	-178.5	-58.8	-177	-177.5	0	0	110.7	H315 T316 V317	H315-E327 IonicContact CE1-OE2 2.73Å; H315-E327 PolarHBondContact CE1-OE2 3.28Å; H315-E327 VanDerWaalsContact CE1-OE2 3.24Å; H315-E327 IonicContact NE2-OE2 3.95Å; H315-E327 PolarHBondContact NE2-OE2 3.04Å; T316-E327 CarbonylContact O-C 3.37Å; T316-E327 VanDerWaalsContact O-CA 3.31Å; T316-E327 WeakPolarHBondContact O-CA 3.45Å; V317-E327 HydrophobicContact CB-CG 4.48Å; V317-E327 HydrophobicContact CG1-CG 4.17Å; V317-E327 HydrophobicContact CG2-CG 4.06Å
328	K	91.3	Very high	84	Confident	119 Å²	119	59.4 Å²	59.4	52%	0.517	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	133.2	174.6	-169.2	-173.8	169.9	-154.9	0	110.2	T316 V330 D346	T316-K328 WeakPolarHBondContact CA-O 3.47Å; T316-K328 WeakPolarHBondContact CB-O 3.13Å; T316-K328 PolarHBondContact N-O 3.3Å; T316-K328 PolarHBondContact O-N 2.95Å; T316-K328 PolarHBondContact OG1-O 2.58Å; K328-V330 HydrophobicContact CB-CG1 4.35Å; K328-V330 HydrophobicContact CD-CG1 3.58Å; K328-V330 HydrophobicContact CG-CG1 3.8Å; K328-D346 IonicContact NZ-OD2 3.13Å; K328-D346 PolarHBondContact NZ-OD2 3.19Å
329	D	94.3	Very high	84.7	Confident	100 Å²	100	55.9 Å²	55.9	54%	0.535	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.5	166.7	-69.1	-22.8	0	0	0	109.6	T313 H315	T313-D329 HydrophobicContact CG2-CB 3.7Å; H315-D329 WeakPolarHBondContact CA-OD1 3.38Å; H315-D329 WeakPolarHBondContact CB-OD1 3.36Å; H315-D329 IonicContact CE1-OD1 3.72Å; H315-D329 IonicContact CG-OD1 2.84Å; H315-D329 IonicContact ND1-OD1 3.68Å; H315-D329 PolarHBondContact ND1-OD1 3.12Å
330	V	93.8	Very high	85.8	Confident	9 Å²	9	56 Å²	56	6%	0.055	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.2	-175	-66.3	0	0	0	0	111.3	T314 T316 K328 L332 D346	T314-V330 PolarHBondContact N-O 3.01Å; T314-V330 PolarHBondContact O-N 2.81Å; T316-V330 HydrophobicContact CG2-CG2 3.34Å; K328-V330 HydrophobicContact CB-CG1 4.35Å; K328-V330 HydrophobicContact CD-CG1 3.58Å; K328-V330 HydrophobicContact CG-CG1 3.8Å; V330-L332 HydrophobicContact CB-CD2 4.15Å; V330-L332 HydrophobicContact CG2-CD1 4.2Å; V330-L332 HydrophobicContact CG2-CD2 3.59Å; V330-L332 HydrophobicContact CG2-CG 3.84Å; V330-D346 HydrophobicContact CB-CB 4.18Å; V330-D346 HydrophobicContact CG1-CB 4.25Å; V330-D346 WeakPolarHBondContact CG1-OD2 3.12Å
331	N	95.1	Very high	87.2	Confident	11 Å²	11	53 Å²	53	6%	0.059	34%	0.335	C	S	.	.			trans	-112	111.9	178.2	-54	-45.3	0	0	0	108.1	V242 T313 D346 Y347 S348	V242-N331 HydrophobicContact CG1-CB 4.14Å; V242-N331 VanDerWaalsContact CG1-OD1 3.31Å; V242-N331 WeakPolarHBondContact CG1-OD1 3.41Å; V242-N331 HydrophobicContact CG2-CB 4.25Å; V242-N331 VanDerWaalsContact CG2-ND2 3.35Å; V242-N331 WeakPolarHBondContact CG2-ND2 3.32Å; T313-N331 WeakPolarHBondContact CA-OD1 3.4Å; T313-N331 VanDerWaalsContact CB-OD1 3.29Å; T313-N331 WeakPolarHBondContact CB-OD1 3.47Å; T313-N331 WeakPolarHBondContact CG2-OD1 3.27Å; T313-N331 PolarHBondContact OG1-OD1 3.42Å; N331-D346 PolarHBondContact N-OD1 3.38Å; N331-D346 VanDerWaalsContact N-OD1 3.07Å; N331-D346 CarbonylContact O-C 3.5Å; N331-D346 VanDerWaalsContact O-CA 3.28Å; N331-D346 WeakPolarHBondContact O-CA 2.95Å; N331-Y347 VanDerWaalsContact C-CD1 3.42Å; N331-Y347 VanDerWaalsContact C-CE1 3.4Å; N331-Y347 HydrophobicContact CB-CD1 3.93Å; N331-Y347 HydrophobicContact CB-CD2 4.35Å; N331-Y347 HydrophobicContact CB-CE1 3.51Å; N331-Y347 HydrophobicContact CB-CE2 3.95Å; N331-Y347 HydrophobicContact CB-CG 4.35Å; N331-Y347 WeakPolarHBondContact O-CD1 3.42Å; N331-Y347 WeakPolarHBondContact O-CE1 3.47Å; N331-Y347 PolarHBondContact O-N 2.98Å; N331-S348 WeakPolarHBondContact CB-O 3.45Å; N331-S348 PolarHBondContact ND2-O 2.75Å
332	L	94.2	Very high	89	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	142.2	-160.1	-64.3	175.1	0	0	0	113	D310 T314 V330 Y334 M344	D310-L332 WeakPolarHBondContact CB-O 3.29Å; D310-L332 PolarHBondContact N-O 3.1Å; T314-L332 HydrophobicContact CG2-CD1 4Å; V330-L332 HydrophobicContact CB-CD2 4.15Å; V330-L332 HydrophobicContact CG2-CD1 4.2Å; V330-L332 HydrophobicContact CG2-CD2 3.59Å; V330-L332 HydrophobicContact CG2-CG 3.84Å; L332-Y334 HydrophobicContact CB-CE1 4.49Å; L332-Y334 HydrophobicContact CB-CE2 4.1Å; L332-Y334 HydrophobicContact CD1-CE1 4.36Å; L332-Y334 WeakPolarHBondContact CD1-OH 3.38Å; L332-M344 HydrophobicContact CD1-SD 4.23Å; L332-M344 HydrophobicContact CD2-CG 4.04Å; L332-M344 HydrophobicContact CD2-SD 4.15Å
333	V	95.7	Very high	90.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.9	160.1	-176.5	0	0	0	0	108.7	L307 S308 I309 M344 F345 Y347 W352	L307-V333 HydrophobicContact CD1-CG1 3.35Å; S308-V333 CarbonylContact O-C 3.59Å; S308-V333 WeakPolarHBondContact O-CA 3.24Å; I309-V333 HydrophobicContact CB-CG2 4.48Å; I309-V333 HydrophobicContact CG1-CG1 3.93Å; I309-V333 HydrophobicContact CG1-CG2 4.03Å; I309-V333 HydrophobicContact CG2-CG2 4.23Å; V333-M344 VanDerWaalsContact O-CA 3.29Å; V333-M344 WeakPolarHBondContact O-CA 3.32Å; V333-F345 HydrophobicContact CB-CD1 3.92Å; V333-F345 HydrophobicContact CB-CE1 3.47Å; V333-F345 VanDerWaalsContact CB-CE1 3.47Å; V333-F345 HydrophobicContact CB-CE2 4.3Å; V333-F345 HydrophobicContact CB-CZ 3.69Å; V333-F345 HydrophobicContact CG1-CD1 4.4Å; V333-F345 HydrophobicContact CG1-CE1 3.6Å; V333-F345 HydrophobicContact CG1-CZ 3.95Å; V333-F345 HydrophobicContact CG2-CE1 3.98Å; V333-F345 HydrophobicContact CG2-CE2 3.97Å; V333-F345 HydrophobicContact CG2-CZ 3.62Å; V333-F345 PolarHBondContact N-O 3.2Å; V333-F345 PolarHBondContact O-N 2.68Å; V333-Y347 HydrophobicContact CG2-CD1 3.57Å; V333-Y347 HydrophobicContact CG2-CE1 4.37Å; V333-Y347 HydrophobicContact CG2-CG 4.21Å; V333-W352 HydrophobicContact CG2-CH2 3.98Å; V333-W352 HydrophobicContact CG2-CZ2 3.52Å
334	Y	95.4	Very high	92	Very high	40 Å²	40	56.3 Å²	56.3	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.9	171.2	-49.8	-83.3	0	0	0	109.6	L307 S308 L332 M344 P383	L307-Y334 WeakPolarHBondContact CA-O 3.37Å; S308-Y334 PolarHBondContact N-O 2.91Å; S308-Y334 PolarHBondContact O-N 3.44Å; L332-Y334 HydrophobicContact CB-CE1 4.49Å; L332-Y334 HydrophobicContact CB-CE2 4.1Å; L332-Y334 HydrophobicContact CD1-CE1 4.36Å; L332-Y334 WeakPolarHBondContact CD1-OH 3.38Å; Y334-M344 HydrophobicContact CD1-CG 4.18Å; Y334-M344 HydrophobicContact CD1-SD 4.15Å; Y334-M344 HydrophobicContact CE1-CG 4.17Å; Y334-M344 HydrophobicContact CE1-SD 3.67Å; Y334-P383 HydrophobicContact CD1-CG 4.25Å
335	L	97.2	Very high	92.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.7	164.6	176.8	57.8	0	0	0	108	I284 V286 T295 F305 S306 V342 R343	I284-L335 HydrophobicContact CG2-CD1 4.33Å; I284-L335 HydrophobicContact CG2-CD2 4.17Å; V286-L335 HydrophobicContact CG2-CD1 4.46Å; V286-L335 HydrophobicContact CG2-CD2 4.28Å; T295-L335 HydrophobicContact CG2-CD2 3.59Å; T295-L335 HydrophobicContact CG2-CG 4.43Å; F305-L335 HydrophobicContact CD2-CD1 3.52Å; F305-L335 HydrophobicContact CE2-CD1 3.33Å; F305-L335 HydrophobicContact CZ-CD1 4.42Å; S306-L335 WeakPolarHBondContact O-CA 3.37Å; L335-V342 HydrophobicContact CD2-CG2 4.46Å; L335-V342 HydrophobicContact CG-CG2 4.07Å; L335-V342 WeakPolarHBondContact O-CG2 3.25Å; L335-V342 PolarHBondContact O-N 2.87Å; L335-R343 HydrophobicContact CB-CB 4.03Å; L335-R343 HydrophobicContact CD2-CB 4.4Å; L335-R343 HydrophobicContact CD2-CG 4.22Å; L335-R343 PolarHBondContact N-O 2.92Å; L335-R343 PolarHBondContact O-N 2.93Å
336	C	96.8	Very high	93.5	Very high	2 Å²	2	50 Å²	50	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139.5	176.8	-65.8	0	0	0	0	110.5	S306 V340 C341 A386	S306-C336 PolarHBondContact N-O 3.29Å; S306-C336 PolarHBondContact O-N 3.19Å; C336-V340 CarbonylContact C-O 3.53Å; C336-V340 WeakPolarHBondContact CA-O 3.37Å; C336-C341 WeakPolarHBondContact SG-CA 3.32Å; C336-A386 HydrophobicContact CB-CB 4.38Å
337	I	95.9	Very high	94	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.8	168.4	-58.1	-63.7	0	0	0	107.3	I284 I303 K304 G339 V340 V342	I284-I337 HydrophobicContact CD1-CD1 3.29Å; I284-I337 HydrophobicContact CD1-CG1 4.48Å; I303-I337 HydrophobicContact CB-CG2 4.21Å; I303-I337 HydrophobicContact CG2-CG2 4.29Å; K304-I337 CarbonylContact O-C 3.49Å; K304-I337 VanDerWaalsContact O-CA 3.3Å; K304-I337 WeakPolarHBondContact O-CA 3.45Å; I337-G339 PolarHBondContact O-N 2.8Å; I337-V340 PolarHBondContact N-O 3.39Å; I337-V340 PolarHBondContact O-N 3.44Å; I337-V342 HydrophobicContact CB-CG1 4.13Å; I337-V342 HydrophobicContact CB-CG2 4.45Å; I337-V342 HydrophobicContact CG1-CG1 4.17Å; I337-V342 HydrophobicContact CG1-CG2 3.66Å
338	N	94.4	Very high	94.1	Very high	48 Å²	48	42.7 Å²	42.7	26%	0.257	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.2	-178.8	-64.8	-6.8	0	0	0	112	I303 K304 V340 F390	I303-N338 VanDerWaalsContact CA-OD1 3.29Å; I303-N338 WeakPolarHBondContact CA-OD1 3.38Å; K304-N338 PolarHBondContact N-OD1 3.48Å; K304-N338 PolarHBondContact O-N 2.94Å; N338-V340 PolarHBondContact O-N 3.26Å; N338-F390 HydrophobicContact CB-CD1 3.98Å; N338-F390 HydrophobicContact CB-CE1 3.5Å; N338-F390 VanDerWaalsContact CB-CE1 3.5Å; N338-F390 HydrophobicContact CB-CE2 4.32Å; N338-F390 HydrophobicContact CB-CZ 3.7Å; N338-F390 WeakPolarHBondContact O-CD1 3.49Å
339	G	92.7	Very high	94.1	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-8.2	-176.8	0	0	0	0	0	115.6	I337	I337-G339 PolarHBondContact O-N 2.8Å
340	V	92.3	Very high	94.1	Very high	92 Å²	92	38 Å²	38	56%	0.558	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	125.1	179.8	-178.3	0	0	0	0	109.8	C336 I337 N338 V342	C336-V340 CarbonylContact C-O 3.53Å; C336-V340 WeakPolarHBondContact CA-O 3.37Å; I337-V340 PolarHBondContact N-O 3.39Å; I337-V340 PolarHBondContact O-N 3.44Å; N338-V340 PolarHBondContact O-N 3.26Å; V340-V342 PolarHBondContact O-N 3.42Å
341	C	93.8	Very high	94.1	Very high	52 Å²	52	41.2 Å²	41.2	35%	0.351	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	114.9	175.5	-169.5	0	0	0	0	110.6	C336 R343 P383	C336-C341 WeakPolarHBondContact SG-CA 3.32Å; C341-R343 PolarHBondContact SG-O 3.29Å; C341-P383 HydrophobicContact CB-CG 4.44Å
342	V	94.1	Very high	94.1	Very high	48 Å²	48	40.7 Å²	40.7	29%	0.291	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-22.4	-179.3	-62.4	0	0	0	0	112.8	T295 L335 I337 V340	T295-V342 HydrophobicContact CG2-CG2 3.98Å; L335-V342 HydrophobicContact CD2-CG2 4.46Å; L335-V342 HydrophobicContact CG-CG2 4.07Å; L335-V342 WeakPolarHBondContact O-CG2 3.25Å; L335-V342 PolarHBondContact O-N 2.87Å; I337-V342 HydrophobicContact CB-CG1 4.13Å; I337-V342 HydrophobicContact CB-CG2 4.45Å; I337-V342 HydrophobicContact CG1-CG1 4.17Å; I337-V342 HydrophobicContact CG1-CG2 3.66Å; V340-V342 PolarHBondContact O-N 3.42Å
343	R	94.5	Very high	94.2	Very high	99 Å²	99	45.6 Å²	45.6	37%	0.374	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.8	168.7	-57	-72.3	-178.6	-97.8	3.4	109.7	I294 L335 C341	I294-R343 PolarHBondContact O-NE 2.88Å; I294-R343 PolarHBondContact O-NH2 2.99Å; L335-R343 HydrophobicContact CB-CB 4.03Å; L335-R343 HydrophobicContact CD2-CB 4.4Å; L335-R343 HydrophobicContact CD2-CG 4.22Å; L335-R343 PolarHBondContact N-O 2.92Å; L335-R343 PolarHBondContact O-N 2.93Å; C341-R343 PolarHBondContact SG-O 3.29Å
344	M	91.3	Very high	94.3	Very high	116 Å²	116	45.7 Å²	45.7	57%	0.571	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.9	167.1	179.9	176.4	62.8	0	0	107.5	L332 V333 Y334	L332-M344 HydrophobicContact CD1-SD 4.23Å; L332-M344 HydrophobicContact CD2-CG 4.04Å; L332-M344 HydrophobicContact CD2-SD 4.15Å; V333-M344 VanDerWaalsContact O-CA 3.29Å; V333-M344 WeakPolarHBondContact O-CA 3.32Å; Y334-M344 HydrophobicContact CD1-CG 4.18Å; Y334-M344 HydrophobicContact CD1-SD 4.15Å; Y334-M344 HydrophobicContact CE1-CG 4.17Å; Y334-M344 HydrophobicContact CE1-SD 3.67Å
345	F	92.4	Very high	94.1	Very high	19 Å²	19	47.1 Å²	47.1	8%	0.083	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.1	176.1	68.6	-81.6	0	0	0	111.6	D291 V293 V333 W352	D291-F345 HydrophobicContact CB-CD2 4.44Å; D291-F345 HydrophobicContact CB-CE2 4.42Å; V293-F345 HydrophobicContact CB-CD1 4.26Å; V293-F345 HydrophobicContact CB-CE1 4.3Å; V293-F345 HydrophobicContact CG1-CB 4.13Å; V293-F345 HydrophobicContact CG1-CD1 3.41Å; V293-F345 VanDerWaalsContact CG1-CD1 3.41Å; V293-F345 HydrophobicContact CG1-CD2 4.44Å; V293-F345 HydrophobicContact CG1-CE1 3.82Å; V293-F345 HydrophobicContact CG1-CG 3.76Å; V293-F345 HydrophobicContact CG1-CZ 4.5Å; V293-F345 HydrophobicContact CG2-CD1 3.83Å; V293-F345 HydrophobicContact CG2-CE1 3.47Å; V293-F345 VanDerWaalsContact CG2-CE1 3.47Å; V293-F345 HydrophobicContact CG2-CZ 4.29Å; V333-F345 HydrophobicContact CB-CD1 3.92Å; V333-F345 HydrophobicContact CB-CE1 3.47Å; V333-F345 VanDerWaalsContact CB-CE1 3.47Å; V333-F345 HydrophobicContact CB-CE2 4.3Å; V333-F345 HydrophobicContact CB-CZ 3.69Å; V333-F345 HydrophobicContact CG1-CD1 4.4Å; V333-F345 HydrophobicContact CG1-CE1 3.6Å; V333-F345 HydrophobicContact CG1-CZ 3.95Å; V333-F345 HydrophobicContact CG2-CE1 3.98Å; V333-F345 HydrophobicContact CG2-CE2 3.97Å; V333-F345 HydrophobicContact CG2-CZ 3.62Å; V333-F345 PolarHBondContact N-O 3.2Å; V333-F345 PolarHBondContact O-N 2.68Å; F345-W352 HydrophobicContact CZ-CH2 4.33Å
346	D	93.5	Very high	94	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.214	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.6	176.7	176	15	0	0	0	109	K328 V330 N331 S348	K328-D346 IonicContact NZ-OD2 3.13Å; K328-D346 PolarHBondContact NZ-OD2 3.19Å; V330-D346 HydrophobicContact CB-CB 4.18Å; V330-D346 HydrophobicContact CG1-CB 4.25Å; V330-D346 WeakPolarHBondContact CG1-OD2 3.12Å; N331-D346 PolarHBondContact N-OD1 3.38Å; N331-D346 VanDerWaalsContact N-OD1 3.07Å; N331-D346 CarbonylContact O-C 3.5Å; N331-D346 VanDerWaalsContact O-CA 3.28Å; N331-D346 WeakPolarHBondContact O-CA 2.95Å; D346-S348 PolarHBondContact O-N 2.87Å; D346-S348 WeakPolarHBondContact OD1-CA 3.4Å; D346-S348 PolarHBondContact OD1-N 3.49Å
347	Y	94.5	Very high	94.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.307	C	S	.	.			trans	-77.8	4.4	178.3	71.9	-94.4	0	0	0	112.7	G241 V242 I309 D310 N331 V333 N349 A350 W352	G241-Y347 WeakPolarHBondContact CA-OH 3.44Å; V242-Y347 HydrophobicContact CG2-CE2 3.97Å; V242-Y347 PolarHBondContact N-OH 3.48Å; I309-Y347 HydrophobicContact CG2-CD1 4.49Å; I309-Y347 HydrophobicContact CG2-CE1 4.03Å; D310-Y347 WeakPolarHBondContact O-CE1 3.42Å; D310-Y347 PolarHBondContact O-OH 2.82Å; N331-Y347 VanDerWaalsContact C-CD1 3.42Å; N331-Y347 VanDerWaalsContact C-CE1 3.4Å; N331-Y347 HydrophobicContact CB-CD1 3.93Å; N331-Y347 HydrophobicContact CB-CD2 4.35Å; N331-Y347 HydrophobicContact CB-CE1 3.51Å; N331-Y347 HydrophobicContact CB-CE2 3.95Å; N331-Y347 HydrophobicContact CB-CG 4.35Å; N331-Y347 WeakPolarHBondContact O-CD1 3.42Å; N331-Y347 WeakPolarHBondContact O-CE1 3.47Å; N331-Y347 PolarHBondContact O-N 2.98Å; V333-Y347 HydrophobicContact CG2-CD1 3.57Å; V333-Y347 HydrophobicContact CG2-CE1 4.37Å; V333-Y347 HydrophobicContact CG2-CG 4.21Å; Y347-N349 PolarHBondContact O-N 2.73Å; Y347-A350 HydrophobicContact CD2-CB 4.06Å; Y347-A350 VanDerWaalsContact O-CB 3.22Å; Y347-A350 WeakPolarHBondContact O-CB 2.96Å; Y347-A350 PolarHBondContact O-N 3.07Å; Y347-W352 HydrophobicContact CD1-CZ2 4.4Å; Y347-W352 AromaticContact CD2-NE1 3.27Å; Y347-W352 VanDerWaalsContact CD2-NE1 3.27Å; Y347-W352 AromaticContact CE2-NE1 3.44Å; Y347-W352 HydrophobicContact CG-CZ2 4.07Å; Y347-W352 AromaticContact CG-NE1 3.61Å; Y347-W352 AromaticContact CZ-NE1 3.9Å
348	S	93.2	Very high	94.2	Very high	63 Å²	63	56.7 Å²	56.7	44%	0.441	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-124.2	-177.5	-58.3	0	0	0	0	109.7	N331 D346	N331-S348 WeakPolarHBondContact CB-O 3.45Å; N331-S348 PolarHBondContact ND2-O 2.75Å; D346-S348 PolarHBondContact O-N 2.87Å; D346-S348 WeakPolarHBondContact OD1-CA 3.4Å; D346-S348 PolarHBondContact OD1-N 3.49Å
349	N	91.9	Very high	94.4	Very high	117 Å²	117	56 Å²	56	63%	0.626	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	20	178.4	-65.4	-18.7	0	0	0	113.3	S243 Y347 N351	S243-N349 PolarHBondContact OG-O 3.32Å; Y347-N349 PolarHBondContact O-N 2.73Å; N349-N351 PolarHBondContact O-N 2.91Å
350	A	93.9	Very high	94.6	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.033	31%	0.314	C	S	.	.			trans	-50.6	140.7	-175.8	0	0	0	0	0	112.3	S243 C288 T290 Y347	S243-A350 PolarHBondContact OG-O 3.1Å; C288-A350 HydrophobicContact CB-CB 4.09Å; T290-A350 HydrophobicContact CG2-CB 4.34Å; T290-A350 WeakPolarHBondContact OG1-CB 3.44Å; Y347-A350 HydrophobicContact CD2-CB 4.06Å; Y347-A350 VanDerWaalsContact O-CB 3.22Å; Y347-A350 WeakPolarHBondContact O-CB 2.96Å; Y347-A350 PolarHBondContact O-N 3.07Å
351	N	93.5	Very high	94.9	Very high	76 Å²	76	53.9 Å²	53.9	41%	0.406	30%	0.303	S	S	.	.			trans	-84.9	125.6	175.8	-179.3	6.3	0	0	0	109.1	N239 N349 K353	N239-N351 VanDerWaalsContact CB-OD1 3.25Å; N239-N351 WeakPolarHBondContact CB-OD1 3.43Å; N239-N351 PolarHBondContact ND2-OD1 2.94Å; N349-N351 PolarHBondContact O-N 2.91Å; N351-K353 VanDerWaalsContact OD1-CB 3.32Å; N351-K353 WeakPolarHBondContact OD1-CB 3.5Å; N351-K353 PolarHBondContact OD1-N 2.8Å
352	W	95.4	Very high	95.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.286	C	S	.	.			trans	-93.4	0.1	-180	-72.1	95.3	0	0	0	114.3	F236 N239 F240 T275 C288 I309 V333 F345 Y347 Q354	F236-W352 WeakPolarHBondContact CB-O 3.28Å; F236-W352 HydrophobicContact CD1-CE3 4.09Å; F236-W352 AromaticContact CE1-CE3 3.74Å; F236-W352 HydrophobicContact CE1-CE3 3.74Å; F236-W352 HydrophobicContact CE1-CZ3 4.13Å; N239-W352 PolarHBondContact OD1-N 3.47Å; N239-W352 VanDerWaalsContact OD1-N 3.14Å; F240-W352 HydrophobicContact CE1-CB 4.05Å; F240-W352 HydrophobicContact CE2-CB 3.92Å; F240-W352 HydrophobicContact CE2-CD2 4.39Å; F240-W352 AromaticContact CE2-CG 3.96Å; F240-W352 HydrophobicContact CE2-CG 3.96Å; F240-W352 HydrophobicContact CZ-CB 3.67Å; F240-W352 HydrophobicContact CZ-CD2 4.4Å; F240-W352 HydrophobicContact CZ-CG 4.06Å; T275-W352 HydrophobicContact CG2-CE3 3.74Å; T275-W352 HydrophobicContact CG2-CZ3 4.37Å; T275-W352 WeakPolarHBondContact CG2-O 3.38Å; C288-W352 HydrophobicContact CB-CD2 4.34Å; C288-W352 HydrophobicContact CB-CE3 4.18Å; C288-W352 HydrophobicContact CB-CH2 3.65Å; C288-W352 HydrophobicContact CB-CZ2 3.78Å; C288-W352 HydrophobicContact CB-CZ3 3.85Å; I309-W352 HydrophobicContact CD1-CD2 3.91Å; I309-W352 HydrophobicContact CD1-CE3 3.62Å; I309-W352 HydrophobicContact CD1-CH2 3.87Å; I309-W352 HydrophobicContact CD1-CZ2 4.17Å; I309-W352 HydrophobicContact CD1-CZ3 3.6Å; I309-W352 HydrophobicContact CG1-CH2 4.08Å; I309-W352 HydrophobicContact CG1-CZ2 4.11Å; I309-W352 HydrophobicContact CG1-CZ3 4.33Å; I309-W352 HydrophobicContact CG2-CD2 4.23Å; I309-W352 HydrophobicContact CG2-CG 4.45Å; I309-W352 HydrophobicContact CG2-CZ2 4.06Å; V333-W352 HydrophobicContact CG2-CH2 3.98Å; V333-W352 HydrophobicContact CG2-CZ2 3.52Å; F345-W352 HydrophobicContact CZ-CH2 4.33Å; Y347-W352 HydrophobicContact CD1-CZ2 4.4Å; Y347-W352 AromaticContact CD2-NE1 3.27Å; Y347-W352 VanDerWaalsContact CD2-NE1 3.27Å; Y347-W352 AromaticContact CE2-NE1 3.44Å; Y347-W352 HydrophobicContact CG-CZ2 4.07Å; Y347-W352 AromaticContact CG-NE1 3.61Å; Y347-W352 AromaticContact CZ-NE1 3.9Å; W352-Q354 PolarHBondContact O-N 2.89Å
353	K	95.8	Very high	95.3	Very high	115 Å²	115	49.7 Å²	49.7	50%	0.5	28%	0.278	S	S	.	.			trans	-76.4	122.6	176.6	-174.9	175.4	-180	179	0	110.8	F236 A237 N239 N351	F236-K353 WeakPolarHBondContact O-CA 3.46Å; A237-K353 VanDerWaalsContact O-CE 3.31Å; A237-K353 WeakPolarHBondContact O-CE 3.47Å; N239-K353 HydrophobicContact CB-CB 4.09Å; N351-K353 VanDerWaalsContact OD1-CB 3.32Å; N351-K353 WeakPolarHBondContact OD1-CB 3.5Å; N351-K353 PolarHBondContact OD1-N 2.8Å
354	Q	96.7	Very high	95.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.263	C	S	.	.			trans	-69.7	145.4	170.5	-75.2	177.7	-25.5	0	0	111.7	F236 C270 D272 T275 W352	F236-Q354 HydrophobicContact CB-CB 4.33Å; F236-Q354 HydrophobicContact CB-CG 3.59Å; F236-Q354 HydrophobicContact CG-CG 4.41Å; F236-Q354 PolarHBondContact O-N 3.17Å; C270-Q354 PolarHBondContact O-NE2 3.01Å; D272-Q354 HydrophobicContact CB-CB 4.25Å; D272-Q354 HydrophobicContact CB-CG 3.95Å; D272-Q354 WeakPolarHBondContact OD2-CA 3.28Å; D272-Q354 WeakPolarHBondContact OD2-CB 3.13Å; D272-Q354 WeakPolarHBondContact OD2-CG 3.49Å; T275-Q354 HydrophobicContact CG2-CG 4.42Å; T275-Q354 PolarHBondContact O-NE2 2.86Å; W352-Q354 PolarHBondContact O-N 2.89Å
355	G	93.2	Very high	95.5	Very high	71 Å²	71	43.9 Å²	43.9	73%	0.732	27%	0.269	S	S	*	.	S	Bend	trans	-65.3	-42.5	176.7	0	0	0	0	0	112.1	D272	D272-G355 PolarHBondContact OD2-N 2.65Å
356	T	95.2	Very high	95.6	Very high	93 Å²	93	46.6 Å²	46.6	57%	0.571	28%	0.283	S	S	*	.	S	Bend	trans	-122.3	107.3	166.4	-62.3	0	0	0	0	107.5	K358	T356-K358 PolarHBondContact O-N 2.82Å
357	P	97.4	Very high	95.6	Very high	41 Å²	41	44.7 Å²	44.7	27%	0.266	27%	0.273	S	S	.	.			trans	-52.5	133	179.2	-28.9	37	0	0	0	112.3	Q234 A237	Q234-P357 HydrophobicContact CB-CB 4.11Å; Q234-P357 HydrophobicContact CG-CB 4.43Å; Q234-P357 VanDerWaalsContact OE1-CB 3.24Å; A237-P357 HydrophobicContact CB-CB 3.89Å; A237-P357 HydrophobicContact CB-CG 3.99Å
358	K	98.1	Very high	95.6	Very high	89 Å²	89	48.7 Å²	48.7	39%	0.387	29%	0.29	S	S	.	.			trans	-107.8	139.3	-179.1	-59.1	-60	-177	176.2	0	111.2	D272 T356	D272-K358 HydrophobicContact CB-CG 4.42Å; T356-K358 PolarHBondContact O-N 2.82Å
359	D	98.3	Very high	95.8	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.182	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.9	160.5	163.1	-58.9	-28.2	0	0	0	109.6	T229 L230 K231 Q234	T229-D359 HydrophobicContact CG2-CB 3.53Å; L230-D359 WeakPolarHBondContact O-CB 3.39Å; K231-D359 WeakPolarHBondContact CD-OD2 3.31Å; K231-D359 IonicContact NZ-OD2 3.41Å; K231-D359 PolarHBondContact NZ-OD2 3Å; Q234-D359 VanDerWaalsContact CG-OD1 3.25Å; Q234-D359 WeakPolarHBondContact CG-OD1 3.35Å; Q234-D359 PolarHBondContact NE2-OD1 2.85Å
360	I	98.6	Very high	96	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.3	170.4	-55.4	177.4	0	0	0	108.4	T229 L230 W233 P235 I251 I253 V268 C270 F277 I362	T229-I360 CarbonylContact C-O 3.55Å; T229-I360 WeakPolarHBondContact CA-O 3.31Å; L230-I360 HydrophobicContact CB-CB 4.12Å; L230-I360 HydrophobicContact CD2-CB 4.49Å; L230-I360 HydrophobicContact CD2-CD1 3.97Å; L230-I360 HydrophobicContact CD2-CG1 4.46Å; L230-I360 PolarHBondContact N-O 2.98Å; W233-I360 HydrophobicContact CE3-CD1 4.24Å; W233-I360 HydrophobicContact CZ3-CD1 3.89Å; P235-I360 HydrophobicContact CG-CD1 4.16Å; P235-I360 HydrophobicContact CG-CG1 4.19Å; I251-I360 HydrophobicContact CG2-CD1 3.9Å; I253-I360 HydrophobicContact CD1-CG2 4Å; V268-I360 HydrophobicContact CG1-CG2 3.65Å; C270-I360 HydrophobicContact CB-CG1 3.97Å; F277-I360 HydrophobicContact CE1-CD1 4.5Å; F277-I360 HydrophobicContact CZ-CD1 4.07Å; F277-I360 HydrophobicContact CZ-CG1 4.29Å; F277-I360 HydrophobicContact CZ-CG2 4.32Å; I360-I362 HydrophobicContact CG2-CD1 4.45Å; I360-I362 HydrophobicContact CG2-CG1 4.05Å
361	V	98.5	Very high	96.2	Very high	53 Å²	53	40.6 Å²	40.6	32%	0.321	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.5	175	-176.2	0	0	0	0	109.1	T229 V268 D269	T229-V361 HydrophobicContact CG2-CG2 4.11Å; V268-V361 CarbonylContact C-O 3.51Å; V268-V361 VanDerWaalsContact CA-O 3.23Å; V268-V361 WeakPolarHBondContact CA-O 3.29Å; D269-V361 PolarHBondContact N-O 2.83Å; D269-V361 PolarHBondContact O-N 2.81Å
362	I	98.4	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.7	-179.8	-56	168.3	0	0	0	108.8	I222 S227 V228 I253 V268 I360 V369 L371 I374	I222-I362 HydrophobicContact CD1-CG2 3.96Å; S227-I362 CarbonylContact C-O 3.55Å; S227-I362 WeakPolarHBondContact CA-O 3.47Å; S227-I362 WeakPolarHBondContact CB-O 3.46Å; V228-I362 HydrophobicContact CG2-CB 3.93Å; V228-I362 PolarHBondContact N-O 3.36Å; V228-I362 PolarHBondContact O-N 2.98Å; I253-I362 HydrophobicContact CG2-CD1 4.37Å; V268-I362 HydrophobicContact CG1-CG1 4.07Å; V268-I362 HydrophobicContact CG2-CG1 4.2Å; V268-I362 HydrophobicContact CG2-CG2 4.22Å; I360-I362 HydrophobicContact CG2-CD1 4.45Å; I360-I362 HydrophobicContact CG2-CG1 4.05Å; I362-V369 HydrophobicContact CG2-CG1 4.21Å; I362-L371 HydrophobicContact CD1-CD1 4.06Å; I362-L371 HydrophobicContact CD1-CD2 3.81Å; I362-L371 HydrophobicContact CG2-CD1 4.44Å; I362-L371 HydrophobicContact CG2-CD2 4.35Å; I362-I374 HydrophobicContact CD1-CD1 3.61Å; I362-I374 HydrophobicContact CD1-CG1 4.21Å
363	G	97.4	Very high	96.5	Very high	11 Å²	11	37.8 Å²	37.8	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.6	167.2	-173.9	0	0	0	0	0	111	I267	I267-G363 CarbonylContact C-O 3.59Å; I267-G363 PolarHBondContact O-N 2.88Å
364	S	96.4	Very high	96.6	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.6	-176.6	-170.7	0	0	0	0	111.5	A224 G225 V266 M366 A367	A224-S364 CarbonylContact C-O 3.55Å; A224-S364 WeakPolarHBondContact CA-O 3.47Å; G225-S364 PolarHBondContact N-O 2.83Å; V266-S364 WeakPolarHBondContact O-CB 3.43Å; V266-S364 PolarHBondContact O-OG 3.29Å; S364-M366 PolarHBondContact O-N 3.49Å; S364-M366 PolarHBondContact OG-N 3.22Å; S364-A367 PolarHBondContact OG-N 2.83Å
365	A	94.1	Very high	96.7	Very high	83 Å²	83	32.6 Å²	32.6	69%	0.686	20%	0.202	S	C	*	.	S	Bend	trans	-66.8	-26.6	169	0	0	0	0	0	112.1
366	M	94.3	Very high	97	Very high	77 Å²	77	29.2 Å²	29.2	38%	0.379	17%	0.167	S	C	.	.	S	Bend	trans	-120.5	-7.4	-165.2	-66.3	-173.5	-70.1	0	0	114.3	S261 D262 A265 S364	S261-M366 PolarHBondContact N-O 3.24Å; S261-M366 WeakPolarHBondContact OG-CB 3.45Å; S261-M366 PolarHBondContact OG-O 2.88Å; D262-M366 HydrophobicContact CB-CE 4.02Å; D262-M366 HydrophobicContact CB-SD 3.93Å; A265-M366 HydrophobicContact CB-CB 3.92Å; A265-M366 HydrophobicContact CB-CE 3.92Å; S364-M366 PolarHBondContact O-N 3.49Å; S364-M366 PolarHBondContact OG-N 3.22Å
367	A	93.8	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.9	-177.3	0	0	0	0	0	112	A224 C260 I267 S364	A224-A367 WeakPolarHBondContact CA-O 3.46Å; C260-A367 HydrophobicContact CB-CB 4.14Å; C260-A367 VanDerWaalsContact SG-CB 3.59Å; I267-A367 HydrophobicContact CG2-CB 4.11Å; S364-A367 PolarHBondContact OG-N 2.83Å
368	K	94.6	Very high	97.1	Very high	84 Å²	84	26.9 Å²	26.9	37%	0.365	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.5	160.2	180	-176	67.7	167.2	0	108.5	T221 I222 G258	T221-K368 HydrophobicContact CG2-CD 4Å; T221-K368 HydrophobicContact CG2-CG 4.2Å; I222-K368 WeakPolarHBondContact O-CA 3.46Å; G258-K368 PolarHBondContact N-O 2.91Å
369	V	96.6	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	173.5	-177.5	0	0	0	0	108.5	I222 F255 E256 I267 I362	I222-V369 WeakPolarHBondContact CA-O 3.3Å; I222-V369 HydrophobicContact CB-CB 4.39Å; I222-V369 WeakPolarHBondContact CB-O 3.49Å; I222-V369 PolarHBondContact N-O 3.44Å; I222-V369 PolarHBondContact O-N 2.85Å; F255-V369 HydrophobicContact CB-CG1 4.41Å; E256-V369 CarbonylContact O-C 3.52Å; E256-V369 WeakPolarHBondContact O-CA 3.15Å; I267-V369 HydrophobicContact CB-CG2 3.83Å; I267-V369 HydrophobicContact CG2-CG2 3.99Å; I362-V369 HydrophobicContact CG2-CG1 4.21Å
370	I	96.9	Very high	97	Very high	14 Å²	14	24.6 Å²	24.6	7%	0.072	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117	168.9	-53.9	174.3	0	0	0	106.8	M220 F255 E256 Y372	M220-I370 WeakPolarHBondContact O-CA 3.16Å; F255-I370 CarbonylContact C-O 3.6Å; F255-I370 WeakPolarHBondContact CA-O 3.41Å; F255-I370 WeakPolarHBondContact CB-O 3.49Å; E256-I370 HydrophobicContact CB-CB 4.29Å; E256-I370 PolarHBondContact N-O 3.37Å; E256-I370 PolarHBondContact O-N 2.8Å; I370-Y372 HydrophobicContact CB-CE2 4.26Å; I370-Y372 HydrophobicContact CG2-CE1 3.91Å; I370-Y372 HydrophobicContact CG2-CE2 3.92Å
371	L	97.7	Very high	96.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.6	178.5	177.7	62.9	0	0	0	109.6	M175 G219 M220 I222 V228 I253 I362 I374	M175-L371 HydrophobicContact CE-CD2 3.74Å; M175-L371 HydrophobicContact CE-CG 4.09Å; M175-L371 HydrophobicContact CG-CG 4.49Å; M175-L371 WeakPolarHBondContact CG-O 3.16Å; G219-L371 CarbonylContact C-O 3.53Å; G219-L371 WeakPolarHBondContact CA-O 3.3Å; M220-L371 HydrophobicContact CE-CB 4.38Å; M220-L371 HydrophobicContact CE-CD2 3.7Å; M220-L371 PolarHBondContact N-O 2.9Å; M220-L371 PolarHBondContact O-N 2.89Å; I222-L371 HydrophobicContact CD1-CB 4.36Å; V228-L371 HydrophobicContact CG2-CD2 4.23Å; I253-L371 HydrophobicContact CG2-CD1 3.7Å; I362-L371 HydrophobicContact CD1-CD1 4.06Å; I362-L371 HydrophobicContact CD1-CD2 3.81Å; I362-L371 HydrophobicContact CG2-CD1 4.44Å; I362-L371 HydrophobicContact CG2-CD2 4.35Å; L371-I374 HydrophobicContact CD1-CG1 4.04Å; L371-I374 HydrophobicContact CD2-CD1 3.98Å; L371-I374 HydrophobicContact CD2-CG1 4.26Å
372	Y	97	Very high	96.7	Very high	16 Å²	16	25.4 Å²	25.4	6%	0.063	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-44.6	-178.5	-64.5	-78.3	0	0	0	112.6	M175 K218 E254 E256 R302 I370 P395	M175-Y372 WeakPolarHBondContact CB-O 3.36Å; M175-Y372 WeakPolarHBondContact CG-O 3.34Å; M175-Y372 PolarHBondContact N-O 3.06Å; K218-Y372 HydrophobicContact CB-CD1 4.42Å; K218-Y372 HydrophobicContact CB-CE1 4.11Å; E254-Y372 HydrophobicContact CG-CD2 4.34Å; E254-Y372 PolarHBondContact O-N 2.77Å; E256-Y372 HydrophobicContact CB-CE2 3.79Å; E256-Y372 PolarHBondContact OE2-OH 3.44Å; R302-Y372 HydrophobicContact CG-CD2 4.2Å; R302-Y372 HydrophobicContact CG-CE2 3.89Å; R302-Y372 VanDerWaalsContact NH2-CB 3.34Å; R302-Y372 VanDerWaalsContact NH2-CD1 3.34Å; I370-Y372 HydrophobicContact CB-CE2 4.26Å; I370-Y372 HydrophobicContact CG2-CE1 3.91Å; I370-Y372 HydrophobicContact CG2-CE2 3.92Å; Y372-P395 HydrophobicContact CD1-CG 4.19Å
373	S	97.6	Very high	96.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	157.3	179.3	65.2	0	0	0	0	113.2	Y173 I253 E254 D393	Y173-S373 CarbonylContact O-C 3.57Å; Y173-S373 WeakPolarHBondContact O-CA 3.42Å; Y173-S373 WeakPolarHBondContact O-CB 3.49Å; I253-S373 WeakPolarHBondContact CA-O 3.18Å; E254-S373 WeakPolarHBondContact CB-OG 3.5Å; E254-S373 PolarHBondContact N-O 2.86Å; E254-S373 PolarHBondContact O-N 2.88Å; E254-S373 PolarHBondContact OE2-OG 2.76Å; E254-S373 VanDerWaalsContact OE2-OG 3.04Å; S373-D393 PolarHBondContact OG-OD2 3.02Å
374	I	98.6	Very high	96	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.1	169.8	-55.7	173	0	0	0	107.9	V171 Y172 Y173 L200 L230 E252 I362 L371	V171-I374 HydrophobicContact CG1-CG2 4.37Å; Y172-I374 WeakPolarHBondContact CA-O 3.21Å; Y173-I374 HydrophobicContact CD2-CB 4.08Å; Y173-I374 HydrophobicContact CD2-CD1 4.19Å; Y173-I374 PolarHBondContact N-O 3.11Å; Y173-I374 PolarHBondContact O-N 2.88Å; L200-I374 HydrophobicContact CD2-CD1 4.05Å; L230-I374 HydrophobicContact CD2-CG2 4.42Å; E252-I374 CarbonylContact O-C 3.52Å; E252-I374 WeakPolarHBondContact O-CA 3.4Å; I362-I374 HydrophobicContact CD1-CD1 3.61Å; I362-I374 HydrophobicContact CD1-CG1 4.21Å; L371-I374 HydrophobicContact CD1-CG1 4.04Å; L371-I374 HydrophobicContact CD2-CD1 3.98Å; L371-I374 HydrophobicContact CD2-CG1 4.26Å
375	R	98.6	Very high	95.9	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142	168.4	-66.5	177.3	171	-88.3	-6.9	111.4	P165 V171 Y172 E252 Y377 D393	P165-R375 VanDerWaalsContact CB-NH2 3.35Å; V171-R375 CarbonylContact O-C 3.59Å; V171-R375 WeakPolarHBondContact O-CA 3.49Å; Y172-R375 HydrophobicContact CD2-CG 3.91Å; Y172-R375 HydrophobicContact CE2-CG 4.42Å; Y172-R375 VanDerWaalsContact CE2-NH2 3.25Å; E252-R375 HydrophobicContact CB-CB 4.07Å; E252-R375 HydrophobicContact CG-CB 4.25Å; E252-R375 PolarHBondContact N-O 2.8Å; E252-R375 PolarHBondContact O-N 2.81Å; E252-R375 VanDerWaalsContact OE2-CD 3.3Å; E252-R375 WeakPolarHBondContact OE2-CD 3.2Å; R375-Y377 HydrophobicContact CB-CE2 3.77Å; R375-Y377 WeakPolarHBondContact CD-OH 3.46Å; R375-Y377 PolarHBondContact NH1-OH 3.45Å; R375-Y377 VanDerWaalsContact NH1-OH 3.08Å; R375-D393 WeakPolarHBondContact CD-OD2 3.46Å; R375-D393 IonicContact CZ-OD1 3.17Å; R375-D393 IonicContact CZ-OD2 2.85Å; R375-D393 IonicContact NE-OD1 2.74Å; R375-D393 PolarHBondContact NE-OD1 2.91Å; R375-D393 IonicContact NE-OD2 2.68Å; R375-D393 PolarHBondContact NE-OD2 2.91Å; R375-D393 IonicContact NH2-OD1 3.49Å; R375-D393 PolarHBondContact NH2-OD1 2.72Å; R375-D393 IonicContact NH2-OD2 3.97Å
376	G	98.5	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	127.8	175.5	0	0	0	0	0	111.3	K170 V171 W233 T250	K170-G376 PolarHBondContact N-O 3.49Å; V171-G376 PolarHBondContact N-O 3.37Å; V171-G376 VanDerWaalsContact N-O 3.12Å; V171-G376 PolarHBondContact O-N 2.76Å; W233-G376 VanDerWaalsContact CH2-CA 3.44Å; T250-G376 WeakPolarHBondContact O-CA 3.44Å
377	Y	98.6	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140	-179.8	-57.6	-95.1	0	0	0	110.8	V166 C169 R249 T250 R375 K379 I381 N389	V166-Y377 HydrophobicContact CB-CE1 4.04Å; V166-Y377 HydrophobicContact CG1-CE1 3.99Å; V166-Y377 PolarHBondContact O-OH 3.04Å; C169-Y377 HydrophobicContact CB-CD1 4.13Å; C169-Y377 HydrophobicContact CB-CE1 3.44Å; C169-Y377 VanDerWaalsContact CB-CE1 3.44Å; R249-Y377 WeakPolarHBondContact CD-O 3.48Å; T250-Y377 HydrophobicContact CG2-CD2 3.92Å; T250-Y377 PolarHBondContact N-O 2.97Å; T250-Y377 VanDerWaalsContact N-O 3.09Å; T250-Y377 PolarHBondContact O-N 3.11Å; R375-Y377 HydrophobicContact CB-CE2 3.77Å; R375-Y377 WeakPolarHBondContact CD-OH 3.46Å; R375-Y377 PolarHBondContact NH1-OH 3.45Å; R375-Y377 VanDerWaalsContact NH1-OH 3.08Å; Y377-K379 PolarHBondContact O-N 2.94Å; Y377-I381 HydrophobicContact CD1-CG2 4.34Å; Y377-I381 HydrophobicContact CD2-CG2 4.09Å; Y377-I381 HydrophobicContact CE2-CD1 4.39Å; Y377-I381 HydrophobicContact CE2-CG2 4.37Å; Y377-I381 HydrophobicContact CG-CG2 4.08Å; Y377-N389 PolarHBondContact OH-ND2 3.01Å; Y377-N389 PolarHBondContact OH-OD1 3.22Å
378	E	97.2	Very high	96	Very high	86 Å²	86	33.5 Å²	33.5	40%	0.402	16%	0.161	S	C	.	.	S	Bend	trans	-87.2	36.3	169.1	-68.5	-179.8	172.2	0	0	111.9	K170	K170-E378 HydrophobicContact CG-CB 4.32Å; K170-E378 HydrophobicContact CG-CG 3.95Å
379	K	97.2	Very high	96	Very high	45 Å²	45	29.5 Å²	29.5	20%	0.196	14%	0.144	C	C	.	.	S	Bend	trans	-152	162.3	173.2	63.6	178.7	178	-166.8	0	108.9	S167 E168 K247 R249 T250 Y377	S167-K379 PolarHBondContact O-NZ 2.69Å; S167-K379 VanDerWaalsContact O-NZ 3.15Å; E168-K379 VanDerWaalsContact CD-NZ 3.3Å; E168-K379 IonicContact OE1-NZ 3.66Å; E168-K379 WeakPolarHBondContact OE2-CD 3.35Å; E168-K379 WeakPolarHBondContact OE2-CE 3.34Å; E168-K379 IonicContact OE2-NZ 3.08Å; E168-K379 PolarHBondContact OE2-NZ 3.13Å; K247-K379 WeakPolarHBondContact O-CA 3.39Å; R249-K379 CarbonylContact C-O 3.56Å; T250-K379 PolarHBondContact N-O 3.22Å; T250-K379 VanDerWaalsContact N-O 3.09Å; T250-K379 PolarHBondContact OG1-O 3.22Å; Y377-K379 PolarHBondContact O-N 2.94Å
380	S	96.9	Very high	96	Very high	29 Å²	29	30.2 Å²	30.2	20%	0.203	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-79.2	133.4	165.5	-170.9	0	0	0	0	109.9	I309	I309-S380 WeakPolarHBondContact O-CB 3.33Å
381	I	96.7	Very high	95.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-100.6	147.3	166.1	79.1	178.5	0	0	0	109.8	V166 T250 S308 Y377 Q385 A386	V166-I381 HydrophobicContact CG1-CG2 4.11Å; T250-I381 HydrophobicContact CG2-CD1 3.81Å; T250-I381 HydrophobicContact CG2-CG1 3.77Å; T250-I381 HydrophobicContact CG2-CG2 4.47Å; T250-I381 PolarHBondContact OG1-N 2.75Å; S308-I381 VanDerWaalsContact CB-O 3.22Å; S308-I381 WeakPolarHBondContact CB-O 3.31Å; S308-I381 WeakPolarHBondContact OG-CG1 3.16Å; S308-I381 PolarHBondContact OG-O 3.05Å; Y377-I381 HydrophobicContact CD1-CG2 4.34Å; Y377-I381 HydrophobicContact CD2-CG2 4.09Å; Y377-I381 HydrophobicContact CE2-CD1 4.39Å; Y377-I381 HydrophobicContact CE2-CG2 4.37Å; Y377-I381 HydrophobicContact CG-CG2 4.08Å; I381-Q385 VanDerWaalsContact CA-OE1 3.31Å; I381-Q385 HydrophobicContact CB-CB 3.86Å; I381-Q385 HydrophobicContact CD1-CB 4.29Å; I381-Q385 HydrophobicContact CG1-CB 4.26Å; I381-A386 HydrophobicContact CD1-CB 4.05Å; I381-A386 HydrophobicContact CG1-CB 4.48Å
382	N	93.5	Very high	95.7	Very high	71 Å²	71	31.5 Å²	31.5	38%	0.38	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-81.1	169	177	71	40.1	0	0	0	112.1	Y384 Q385 A386	N382-Y384 VanDerWaalsContact C-N 3.29Å; N382-Y384 PolarHBondContact O-N 2.89Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.47Å; N382-Y384 PolarHBondContact OD1-N 3.41Å; N382-Q385 WeakPolarHBondContact O-CB 3.33Å; N382-Q385 PolarHBondContact O-N 2.91Å; N382-Q385 VanDerWaalsContact O-N 3.16Å; N382-Q385 WeakPolarHBondContact OD1-CG 3.45Å; N382-Q385 PolarHBondContact OD1-N 2.63Å; N382-A386 PolarHBondContact O-N 2.86Å
383	P	91.2	Very high	95.6	Very high	39 Å²	39	30.9 Å²	30.9	25%	0.253	15%	0.15	S	C	.	.	H	α-helix	trans	-59	-32.6	-179.5	-28.7	37.3	0	0	0	115.2	Y334 C341 A386 L387	Y334-P383 HydrophobicContact CD1-CG 4.25Å; C341-P383 HydrophobicContact CB-CG 4.44Å; P383-A386 PolarHBondContact O-N 2.74Å; P383-L387 WeakPolarHBondContact O-CB 3.32Å; P383-L387 PolarHBondContact O-N 3.3Å
384	Y	89.8	Confident	95.4	Very high	145 Å²	145	30.9 Å²	30.9	57%	0.569	15%	0.15	S	C	*	.	H	α-helix	trans	-65.4	-42.9	176.1	-60.4	-75.5	0	0	0	111.3	N382 L387 D388 L422	N382-Y384 VanDerWaalsContact C-N 3.29Å; N382-Y384 PolarHBondContact O-N 2.89Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.47Å; N382-Y384 PolarHBondContact OD1-N 3.41Å; Y384-L387 WeakPolarHBondContact O-CB 3.2Å; Y384-L387 PolarHBondContact O-N 3Å; Y384-D388 PolarHBondContact O-N 2.97Å; Y384-L422 HydrophobicContact CE1-CD1 4.27Å
385	Q	94.8	Very high	95	Very high	56 Å²	56	31.2 Å²	31.2	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-64.7	-38.3	175.8	-76.2	179.2	-40.8	0	0	112.6	V166 I381 N382 L387 D388 N389	V166-Q385 HydrophobicContact CG1-CG 4.49Å; V166-Q385 HydrophobicContact CG2-CB 3.49Å; V166-Q385 VanDerWaalsContact CG2-CB 3.49Å; V166-Q385 HydrophobicContact CG2-CG 3.87Å; V166-Q385 WeakPolarHBondContact CG2-O 3.41Å; I381-Q385 VanDerWaalsContact CA-OE1 3.31Å; I381-Q385 HydrophobicContact CB-CB 3.86Å; I381-Q385 HydrophobicContact CD1-CB 4.29Å; I381-Q385 HydrophobicContact CG1-CB 4.26Å; N382-Q385 WeakPolarHBondContact O-CB 3.33Å; N382-Q385 PolarHBondContact O-N 2.91Å; N382-Q385 VanDerWaalsContact O-N 3.16Å; N382-Q385 WeakPolarHBondContact OD1-CG 3.45Å; N382-Q385 PolarHBondContact OD1-N 2.63Å; Q385-L387 VanDerWaalsContact C-N 3.28Å; Q385-L387 PolarHBondContact O-N 2.66Å; Q385-D388 PolarHBondContact O-N 3.38Å; Q385-N389 PolarHBondContact O-N 2.86Å
386	A	96	Very high	94.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63	-37.7	173.6	0	0	0	0	0	111.8	C336 I381 N382 P383 F390	C336-A386 HydrophobicContact CB-CB 4.38Å; I381-A386 HydrophobicContact CD1-CB 4.05Å; I381-A386 HydrophobicContact CG1-CB 4.48Å; N382-A386 PolarHBondContact O-N 2.86Å; P383-A386 PolarHBondContact O-N 2.74Å; A386-F390 WeakPolarHBondContact O-CB 3.25Å; A386-F390 PolarHBondContact O-N 2.8Å
387	L	93.1	Very high	94.5	Very high	31 Å²	31	32.8 Å²	32.8	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-70.3	-39.8	176.4	179.8	59.3	0	0	0	112.8	P383 Y384 Q385 F390 A391 N419	P383-L387 WeakPolarHBondContact O-CB 3.32Å; P383-L387 PolarHBondContact O-N 3.3Å; Y384-L387 WeakPolarHBondContact O-CB 3.2Å; Y384-L387 PolarHBondContact O-N 3Å; Q385-L387 VanDerWaalsContact C-N 3.28Å; Q385-L387 PolarHBondContact O-N 2.66Å; L387-F390 HydrophobicContact CD1-CD1 4.35Å; L387-F390 WeakPolarHBondContact O-CB 3.36Å; L387-F390 PolarHBondContact O-N 3.5Å; L387-A391 PolarHBondContact O-N 2.85Å; L387-N419 VanDerWaalsContact CD1-ND2 3.31Å; L387-N419 WeakPolarHBondContact CD1-ND2 3.32Å; L387-N419 HydrophobicContact CD2-CB 4.13Å; L387-N419 WeakPolarHBondContact CD2-ND2 3.44Å; L387-N419 WeakPolarHBondContact CD2-OD1 3.39Å; L387-N419 WeakPolarHBondContact CG-ND2 3.24Å
388	D	93.8	Very high	94.3	Very high	78 Å²	78	37.3 Å²	37.3	42%	0.417	19%	0.186	S	C	.	.	H	α-helix	trans	-60.8	-46.2	172.7	-71.4	-23.3	0	0	0	111.3	Y384 Q385 F390 A391 Y392	Y384-D388 PolarHBondContact O-N 2.97Å; Q385-D388 PolarHBondContact O-N 3.38Å; D388-F390 VanDerWaalsContact C-N 3.3Å; D388-F390 PolarHBondContact O-N 3Å; D388-A391 PolarHBondContact O-N 2.75Å; D388-Y392 WeakPolarHBondContact O-CB 3.19Å; D388-Y392 PolarHBondContact O-N 2.97Å
389	N	96.6	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-37.5	173.9	-75.5	-21.9	0	0	0	111.9	P165 V166 E252 K304 Y377 Q385 D393	P165-N389 WeakPolarHBondContact CA-OD1 3.43Å; V166-N389 WeakPolarHBondContact CG2-ND2 3.22Å; V166-N389 WeakPolarHBondContact CG2-OD1 3.41Å; V166-N389 PolarHBondContact N-OD1 2.84Å; E252-N389 WeakPolarHBondContact OE2-CB 3.47Å; E252-N389 PolarHBondContact OE2-ND2 2.69Å; K304-N389 PolarHBondContact NZ-O 2.89Å; Y377-N389 PolarHBondContact OH-ND2 3.01Å; Y377-N389 PolarHBondContact OH-OD1 3.22Å; Q385-N389 PolarHBondContact O-N 2.86Å; N389-D393 WeakPolarHBondContact O-CB 3.19Å; N389-D393 VanDerWaalsContact O-CG 3.28Å; N389-D393 PolarHBondContact O-N 2.83Å
390	F	95.9	Very high	93.9	Very high	16 Å²	16	34.4 Å²	34.4	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-50.1	176.2	177.2	-132.1	0	0	0	111.8	K304 N338 A386 L387 D388 Y392 D393 T394 L415	K304-F390 HydrophobicContact CB-CD2 3.64Å; K304-F390 HydrophobicContact CB-CE2 4.11Å; K304-F390 HydrophobicContact CB-CG 4.41Å; K304-F390 HydrophobicContact CD-CB 3.81Å; K304-F390 HydrophobicContact CD-CD2 3.75Å; K304-F390 HydrophobicContact CD-CG 4.21Å; K304-F390 HydrophobicContact CG-CD2 4.36Å; N338-F390 HydrophobicContact CB-CD1 3.98Å; N338-F390 HydrophobicContact CB-CE1 3.5Å; N338-F390 VanDerWaalsContact CB-CE1 3.5Å; N338-F390 HydrophobicContact CB-CE2 4.32Å; N338-F390 HydrophobicContact CB-CZ 3.7Å; N338-F390 WeakPolarHBondContact O-CD1 3.49Å; A386-F390 WeakPolarHBondContact O-CB 3.25Å; A386-F390 PolarHBondContact O-N 2.8Å; L387-F390 HydrophobicContact CD1-CD1 4.35Å; L387-F390 WeakPolarHBondContact O-CB 3.36Å; L387-F390 PolarHBondContact O-N 3.5Å; D388-F390 VanDerWaalsContact C-N 3.3Å; D388-F390 PolarHBondContact O-N 3Å; F390-Y392 VanDerWaalsContact C-N 3.32Å; F390-Y392 PolarHBondContact O-N 3.22Å; F390-D393 PolarHBondContact O-N 2.81Å; F390-T394 PolarHBondContact O-N 3.3Å; F390-T394 VanDerWaalsContact O-N 3.13Å; F390-T394 PolarHBondContact O-OG1 3.01Å; F390-L415 HydrophobicContact CD1-CD1 3.99Å; F390-L415 HydrophobicContact CD1-CD2 4.25Å; F390-L415 HydrophobicContact CE1-CD1 3.56Å; F390-L415 HydrophobicContact CE1-CD2 3.58Å; F390-L415 HydrophobicContact CE1-CG 4.22Å; F390-L415 HydrophobicContact CE2-CD1 4.39Å; F390-L415 HydrophobicContact CZ-CD1 3.78Å; F390-L415 HydrophobicContact CZ-CD2 4.33Å
391	A	94.3	Very high	93.8	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-42.9	177.1	0	0	0	0	0	111.3	L163 L387 D388 K412 L415 A416	L163-A391 HydrophobicContact CD2-CB 4.01Å; L387-A391 PolarHBondContact O-N 2.85Å; D388-A391 PolarHBondContact O-N 2.75Å; A391-K412 WeakPolarHBondContact O-CB 3.46Å; A391-L415 HydrophobicContact CB-CB 3.99Å; A391-A416 HydrophobicContact CB-CB 4.43Å
392	Y	94.2	Very high	93.5	Very high	38 Å²	38	42.3 Å²	42.3	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-45.3	-179.6	-175	-90.1	0	0	0	113.4	L163 P165 D388 F390 K412	L163-Y392 HydrophobicContact CB-CD2 3.89Å; P165-Y392 HydrophobicContact CB-CD1 3.88Å; P165-Y392 HydrophobicContact CB-CD2 4.43Å; P165-Y392 HydrophobicContact CB-CE1 4.17Å; P165-Y392 HydrophobicContact CB-CG 4.02Å; P165-Y392 HydrophobicContact CG-CD1 4.18Å; P165-Y392 HydrophobicContact CG-CD2 4.29Å; P165-Y392 HydrophobicContact CG-CE1 4.01Å; P165-Y392 HydrophobicContact CG-CE2 4.16Å; P165-Y392 HydrophobicContact CG-CG 4.31Å; D388-Y392 WeakPolarHBondContact O-CB 3.19Å; D388-Y392 PolarHBondContact O-N 2.97Å; F390-Y392 VanDerWaalsContact C-N 3.32Å; F390-Y392 PolarHBondContact O-N 3.22Å; Y392-K412 PolarHBondContact O-NZ 2.93Å
393	D	94.8	Very high	93.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-77.8	-27.3	-173.4	-69.6	-16	0	0	0	113.9	K304 S373 R375 N389 F390 P395	K304-D393 IonicContact NZ-OD2 3.09Å; K304-D393 PolarHBondContact NZ-OD2 3.01Å; S373-D393 PolarHBondContact OG-OD2 3.02Å; R375-D393 WeakPolarHBondContact CD-OD2 3.46Å; R375-D393 IonicContact CZ-OD1 3.17Å; R375-D393 IonicContact CZ-OD2 2.85Å; R375-D393 IonicContact NE-OD1 2.74Å; R375-D393 PolarHBondContact NE-OD1 2.91Å; R375-D393 IonicContact NE-OD2 2.68Å; R375-D393 PolarHBondContact NE-OD2 2.91Å; R375-D393 IonicContact NH2-OD1 3.49Å; R375-D393 PolarHBondContact NH2-OD1 2.72Å; R375-D393 IonicContact NH2-OD2 3.97Å; N389-D393 WeakPolarHBondContact O-CB 3.19Å; N389-D393 VanDerWaalsContact O-CG 3.28Å; N389-D393 PolarHBondContact O-N 2.83Å; F390-D393 PolarHBondContact O-N 2.81Å; D393-P395 WeakPolarHBondContact O-CD 3.31Å; D393-P395 VanDerWaalsContact O-N 3.11Å
394	T	93	Very high	93.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.251	C	S	.	.			trans	-51.6	118.2	175.8	-61.4	0	0	0	0	109.5	F390 D396 K412 L415	F390-T394 PolarHBondContact O-N 3.3Å; F390-T394 VanDerWaalsContact O-N 3.13Å; F390-T394 PolarHBondContact O-OG1 3.01Å; T394-D396 HydrophobicContact CG2-CB 4.24Å; T394-K412 WeakPolarHBondContact O-CE 3.45Å; T394-K412 PolarHBondContact O-NZ 2.93Å; T394-L415 HydrophobicContact CG2-CD1 4.23Å; T394-L415 WeakPolarHBondContact OG1-CD1 3.39Å
395	P	91.1	Very high	93.6	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.052	25%	0.249	C	C	.	.			trans	-74.1	-27.6	-177.9	29.8	-33.9	0	0	0	112.3	K176 K218 Y372 D393 V397	K176-P395 HydrophobicContact CB-CB 3.9Å; K218-P395 HydrophobicContact CB-CB 4.11Å; K218-P395 HydrophobicContact CB-CG 3.95Å; K218-P395 HydrophobicContact CD-CG 4.37Å; K218-P395 HydrophobicContact CG-CB 4.22Å; K218-P395 HydrophobicContact CG-CG 4.31Å; Y372-P395 HydrophobicContact CD1-CG 4.19Å; D393-P395 WeakPolarHBondContact O-CD 3.31Å; D393-P395 VanDerWaalsContact O-N 3.11Å; P395-V397 PolarHBondContact O-N 3.44Å
396	D	92.5	Very high	93.4	Very high	15 Å²	15	47 Å²	47	8%	0.08	26%	0.262	C	S	.	.			trans	-71.2	115.6	179.7	-65.4	-70.5	0	0	0	110.5	K218 R302 T394 V400 H409 G411 K412	K218-D396 WeakPolarHBondContact CE-OD1 3.39Å; K218-D396 IonicContact NZ-OD1 2.64Å; K218-D396 PolarHBondContact NZ-OD1 3.06Å; K218-D396 IonicContact NZ-OD2 2.7Å; R302-D396 IonicContact NH1-OD2 2.72Å; R302-D396 PolarHBondContact NH1-OD2 3.3Å; R302-D396 VanDerWaalsContact NH1-OD2 3.13Å; T394-D396 HydrophobicContact CG2-CB 4.24Å; D396-V400 HydrophobicContact CB-CG2 3.85Å; D396-H409 IonicContact OD2-NE2 2.77Å; D396-H409 PolarHBondContact OD2-NE2 2.97Å; D396-G411 CarbonylContact O-C 3.55Å; D396-G411 WeakPolarHBondContact O-CA 3.17Å; D396-K412 PolarHBondContact O-N 2.69Å
397	V	93.4	Very high	93.1	Very high	22 Å²	22	50.7 Å²	50.7	13%	0.133	28%	0.278	C	S	.	.	S	Bend	trans	-71.6	-41.7	-180	66.1	0	0	0	0	112.3	T67 P395 I413	T67-V397 HydrophobicContact CG2-CG2 4.22Å; P395-V397 PolarHBondContact O-N 3.44Å; V397-I413 HydrophobicContact CG2-CD1 3.55Å; V397-I413 HydrophobicContact CG2-CG1 4.01Å; V397-I413 WeakPolarHBondContact O-CG1 3.43Å; V397-I413 PolarHBondContact O-N 3.12Å
398	N	93.3	Very high	93	Very high	96 Å²	96	51.9 Å²	51.9	51%	0.513	29%	0.285	S	S	.	.	S	Bend	trans	-111.3	165.3	-179.7	-60.4	-39.9	0	0	0	109.6	G411	N398-G411 WeakPolarHBondContact O-CA 3.45Å
399	D	94.5	Very high	92.8	Very high	34 Å²	34	50 Å²	50	18%	0.182	27%	0.274	C	S	.	.			trans	-60	144.5	174.9	-64.4	-5.8	0	0	0	111.8	Y401 F407 Y410 G411 N414	D399-Y401 HydrophobicContact CB-CE2 3.91Å; D399-F407 HydrophobicContact CB-CD2 4.48Å; D399-F407 HydrophobicContact CB-CE2 4.08Å; D399-Y410 VanDerWaalsContact OD1-CA 3.31Å; D399-Y410 WeakPolarHBondContact OD1-CA 3.2Å; D399-G411 PolarHBondContact OD1-N 2.95Å; D399-N414 WeakPolarHBondContact OD1-CB 3.44Å; D399-N414 PolarHBondContact OD1-ND2 2.7Å; D399-N414 PolarHBondContact OD2-ND2 2.85Å
400	V	93	Very high	92.6	Very high	35 Å²	35	53.4 Å²	53.4	21%	0.212	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.1	-178.3	-179.2	0	0	0	0	109.1	D396 D408 H409	D396-V400 HydrophobicContact CB-CG2 3.85Å; V400-D408 HydrophobicContact CG1-CB 4.33Å; V400-D408 PolarHBondContact O-N 2.94Å; V400-H409 WeakPolarHBondContact CG2-NE2 3.27Å; V400-H409 PolarHBondContact N-O 2.79Å; V400-H409 PolarHBondContact O-N 3.04Å
401	Y	94.3	Very high	92.5	Very high	130 Å²	130	52.6 Å²	52.6	51%	0.51	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.7	175.6	-60.5	-98.3	0	0	0	108.8	D399 G405 I406 F407	D399-Y401 HydrophobicContact CB-CE2 3.91Å; Y401-G405 WeakPolarHBondContact CD1-O 3.45Å; Y401-I406 CarbonylContact C-O 3.56Å; Y401-I406 VanDerWaalsContact CA-O 3.23Å; Y401-I406 WeakPolarHBondContact CA-O 3.45Å; Y401-F407 HydrophobicContact CD1-CB 4.07Å; Y401-F407 HydrophobicContact CE1-CB 3.92Å; Y401-F407 HydrophobicContact CE1-CD2 4.14Å
402	D	90	Very high	92.4	Very high	66 Å²	66	52.5 Å²	52.5	35%	0.353	28%	0.283	S	S	.	.			trans	-73.2	179.1	174	78.6	3.7	0	0	0	112.1	N404 G405 I406	D402-N404 PolarHBondContact O-N 2.81Å; D402-N404 VanDerWaalsContact O-N 3.12Å; D402-N404 VanDerWaalsContact OD1-CA 3.32Å; D402-N404 WeakPolarHBondContact OD1-CA 3.35Å; D402-N404 WeakPolarHBondContact OD1-CB 3.23Å; D402-N404 PolarHBondContact OD1-N 3.22Å; D402-G405 PolarHBondContact O-N 2.88Å; D402-G405 PolarHBondContact OD1-N 3.49Å; D402-I406 PolarHBondContact N-O 2.9Å; D402-I406 WeakPolarHBondContact OD1-CB 3.19Å; D402-I406 PolarHBondContact OD1-N 3.49Å
403	S	91.7	Very high	92.4	Very high	122 Å²	122	51.2 Å²	51.2	85%	0.853	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.9	-180	57.7	0	0	0	0	114.5
404	N	92.6	Very high	92.3	Very high	131 Å²	131	53.5 Å²	53.5	70%	0.701	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	2.2	177.4	-57.3	-45.1	0	0	0	112.1	D402 I406	D402-N404 PolarHBondContact O-N 2.81Å; D402-N404 VanDerWaalsContact O-N 3.12Å; D402-N404 VanDerWaalsContact OD1-CA 3.32Å; D402-N404 WeakPolarHBondContact OD1-CA 3.35Å; D402-N404 WeakPolarHBondContact OD1-CB 3.23Å; D402-N404 PolarHBondContact OD1-N 3.22Å; N404-I406 VanDerWaalsContact C-N 3.33Å; N404-I406 HydrophobicContact CB-CD1 4.34Å; N404-I406 HydrophobicContact CB-CG1 4.25Å
405	G	93	Very high	92.3	Very high	52 Å²	52	54.2 Å²	54.2	54%	0.536	29%	0.294	S	S	.	.	S	Bend	trans	78.6	14.3	-176.5	0	0	0	0	0	113.9	Y401 D402	Y401-G405 WeakPolarHBondContact CD1-O 3.45Å; D402-G405 PolarHBondContact O-N 2.88Å; D402-G405 PolarHBondContact OD1-N 3.49Å
406	I	89.6	Confident	92.3	Very high	104 Å²	104	54.6 Å²	54.6	53%	0.533	30%	0.298	S	S	.	.			trans	-81.5	132	175.9	-56.6	175	0	0	0	108.3	Y401 D402 N404 D408	Y401-I406 CarbonylContact C-O 3.56Å; Y401-I406 VanDerWaalsContact CA-O 3.23Å; Y401-I406 WeakPolarHBondContact CA-O 3.45Å; D402-I406 PolarHBondContact N-O 2.9Å; D402-I406 WeakPolarHBondContact OD1-CB 3.19Å; D402-I406 PolarHBondContact OD1-N 3.49Å; N404-I406 VanDerWaalsContact C-N 3.33Å; N404-I406 HydrophobicContact CB-CD1 4.34Å; N404-I406 HydrophobicContact CB-CG1 4.25Å; I406-D408 PolarHBondContact O-N 2.95Å
407	F	90.8	Very high	92.2	Very high	79 Å²	79	57.2 Å²	57.2	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	129.8	176.8	174.5	-96.4	0	0	0	111.2	D399 Y401 H409 Y410	D399-F407 HydrophobicContact CB-CD2 4.48Å; D399-F407 HydrophobicContact CB-CE2 4.08Å; Y401-F407 HydrophobicContact CD1-CB 4.07Å; Y401-F407 HydrophobicContact CE1-CB 3.92Å; Y401-F407 HydrophobicContact CE1-CD2 4.14Å; F407-H409 WeakPolarHBondContact CE2-O 3.39Å; F407-Y410 HydrophobicContact CE1-CD2 4.48Å; F407-Y410 HydrophobicContact CE1-CE1 4.43Å; F407-Y410 HydrophobicContact CE1-CE2 4.19Å; F407-Y410 AromaticContact CE2-CD1 3.64Å; F407-Y410 HydrophobicContact CE2-CD1 3.64Å; F407-Y410 AromaticContact CE2-CE1 3.66Å; F407-Y410 HydrophobicContact CE2-CE1 3.66Å; F407-Y410 HydrophobicContact CE2-CG 4.12Å; F407-Y410 AromaticContact CZ-CD1 3.51Å; F407-Y410 HydrophobicContact CZ-CD1 3.51Å; F407-Y410 AromaticContact CZ-CD2 3.72Å; F407-Y410 HydrophobicContact CZ-CD2 3.72Å; F407-Y410 AromaticContact CZ-CE1 3.47Å; F407-Y410 HydrophobicContact CZ-CE1 3.47Å; F407-Y410 VanDerWaalsContact CZ-CE1 3.47Å; F407-Y410 AromaticContact CZ-CE2 3.7Å; F407-Y410 HydrophobicContact CZ-CE2 3.7Å; F407-Y410 AromaticContact CZ-CG 3.62Å; F407-Y410 HydrophobicContact CZ-CG 3.62Å; F407-Y410 AromaticContact CZ-CZ 3.56Å
408	D	89.9	Confident	92	Very high	56 Å²	56	59.9 Å²	59.9	30%	0.299	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-59.3	177.9	-177.4	47.8	0	0	0	111.5	K301 V400 I406	K301-D408 IonicContact NZ-OD1 2.66Å; K301-D408 PolarHBondContact NZ-OD1 3.48Å; V400-D408 HydrophobicContact CG1-CB 4.33Å; V400-D408 PolarHBondContact O-N 2.94Å; I406-D408 PolarHBondContact O-N 2.95Å
409	H	90.6	Very high	91.6	Very high	38 Å²	38	58 Å²	58	18%	0.176	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	160.4	177	62.7	-89.3	0	0	0	112.9	D396 V400 F407	D396-H409 IonicContact OD2-NE2 2.77Å; D396-H409 PolarHBondContact OD2-NE2 2.97Å; V400-H409 WeakPolarHBondContact CG2-NE2 3.27Å; V400-H409 PolarHBondContact N-O 2.79Å; V400-H409 PolarHBondContact O-N 3.04Å; F407-H409 WeakPolarHBondContact CE2-O 3.39Å
410	Y	92.2	Very high	91.3	Very high	72 Å²	72	59.9 Å²	59.9	28%	0.282	32%	0.316	S	S	.	.			trans	-76	141.3	178.6	-66.2	-66.8	0	0	0	111.6	D399 F407 N414 L415 R418	D399-Y410 VanDerWaalsContact OD1-CA 3.31Å; D399-Y410 WeakPolarHBondContact OD1-CA 3.2Å; F407-Y410 HydrophobicContact CE1-CD2 4.48Å; F407-Y410 HydrophobicContact CE1-CE1 4.43Å; F407-Y410 HydrophobicContact CE1-CE2 4.19Å; F407-Y410 AromaticContact CE2-CD1 3.64Å; F407-Y410 HydrophobicContact CE2-CD1 3.64Å; F407-Y410 AromaticContact CE2-CE1 3.66Å; F407-Y410 HydrophobicContact CE2-CE1 3.66Å; F407-Y410 HydrophobicContact CE2-CG 4.12Å; F407-Y410 AromaticContact CZ-CD1 3.51Å; F407-Y410 HydrophobicContact CZ-CD1 3.51Å; F407-Y410 AromaticContact CZ-CD2 3.72Å; F407-Y410 HydrophobicContact CZ-CD2 3.72Å; F407-Y410 AromaticContact CZ-CE1 3.47Å; F407-Y410 HydrophobicContact CZ-CE1 3.47Å; F407-Y410 VanDerWaalsContact CZ-CE1 3.47Å; F407-Y410 AromaticContact CZ-CE2 3.7Å; F407-Y410 HydrophobicContact CZ-CE2 3.7Å; F407-Y410 AromaticContact CZ-CG 3.62Å; F407-Y410 HydrophobicContact CZ-CG 3.62Å; F407-Y410 AromaticContact CZ-CZ 3.56Å; Y410-N414 HydrophobicContact CD1-CB 4.15Å; Y410-L415 HydrophobicContact CD2-CD2 4.42Å; Y410-L415 HydrophobicContact CG-CD2 4.46Å; Y410-R418 PolarHBondContact OH-NH1 2.99Å; Y410-R418 PolarHBondContact OH-NH2 3.17Å
411	G	93.8	Very high	91.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.317	C	S	.	.			trans	-78.9	163.5	167.3	0	0	0	0	0	111.8	D396 N398 D399 I413 N414 L415	D396-G411 CarbonylContact O-C 3.55Å; D396-G411 WeakPolarHBondContact O-CA 3.17Å; N398-G411 WeakPolarHBondContact O-CA 3.45Å; D399-G411 PolarHBondContact OD1-N 2.95Å; G411-I413 PolarHBondContact O-N 2.83Å; G411-I413 VanDerWaalsContact O-N 3.1Å; G411-N414 PolarHBondContact O-N 3.15Å; G411-L415 WeakPolarHBondContact O-CG 3.45Å; G411-L415 PolarHBondContact O-N 3.02Å
412	K	93	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-52.9	-35.4	-176.9	60	175.6	54.3	-178.2	0	114.7	Y69 D131 L163 A391 Y392 T394 D396 L415 A416	Y69-K412 HydrophobicContact CG-CD 4.37Å; Y69-K412 PolarHBondContact O-NZ 2.87Å; D131-K412 IonicContact OD1-NZ 3.92Å; L163-K412 HydrophobicContact CD1-CB 4.07Å; L163-K412 HydrophobicContact CD1-CD 3.59Å; L163-K412 HydrophobicContact CD1-CG 4.04Å; A391-K412 WeakPolarHBondContact O-CB 3.46Å; Y392-K412 PolarHBondContact O-NZ 2.93Å; T394-K412 WeakPolarHBondContact O-CE 3.45Å; T394-K412 PolarHBondContact O-NZ 2.93Å; D396-K412 PolarHBondContact O-N 2.69Å; K412-L415 PolarHBondContact O-N 2.87Å; K412-A416 WeakPolarHBondContact O-CB 3.32Å; K412-A416 PolarHBondContact O-N 3.18Å
413	I	92.8	Very high	90.5	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-46.8	-179.1	-68.2	-177.9	0	0	0	109.6	T67 A159 V161 V397 G411 A416 K417	T67-I413 HydrophobicContact CG2-CD1 3.56Å; A159-I413 HydrophobicContact CB-CD1 3.71Å; A159-I413 HydrophobicContact CB-CG1 4.06Å; V161-I413 HydrophobicContact CG2-CG1 4.43Å; V161-I413 HydrophobicContact CG2-CG2 4.41Å; V397-I413 HydrophobicContact CG2-CD1 3.55Å; V397-I413 HydrophobicContact CG2-CG1 4.01Å; V397-I413 WeakPolarHBondContact O-CG1 3.43Å; V397-I413 PolarHBondContact O-N 3.12Å; G411-I413 PolarHBondContact O-N 2.83Å; G411-I413 VanDerWaalsContact O-N 3.1Å; I413-A416 PolarHBondContact O-N 3.43Å; I413-K417 HydrophobicContact CG2-CD 4.01Å; I413-K417 VanDerWaalsContact CG2-CE 3.5Å; I413-K417 HydrophobicContact CG2-CG 4.45Å; I413-K417 WeakPolarHBondContact O-CB 3.34Å; I413-K417 VanDerWaalsContact O-CG 3.29Å; I413-K417 WeakPolarHBondContact O-CG 3.48Å; I413-K417 PolarHBondContact O-N 2.87Å
414	N	92.4	Very high	89.6	Confident	51 Å²	51	57 Å²	57	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-73.5	-34.3	179.3	-79.3	-18.4	0	0	0	111.6	D399 Y410 G411 A416 K417 R418	D399-N414 WeakPolarHBondContact OD1-CB 3.44Å; D399-N414 PolarHBondContact OD1-ND2 2.7Å; D399-N414 PolarHBondContact OD2-ND2 2.85Å; Y410-N414 HydrophobicContact CD1-CB 4.15Å; G411-N414 PolarHBondContact O-N 3.15Å; N414-A416 PolarHBondContact O-N 2.75Å; N414-K417 PolarHBondContact O-N 3.32Å; N414-R418 VanDerWaalsContact O-CB 3.23Å; N414-R418 WeakPolarHBondContact O-CB 3.34Å; N414-R418 WeakPolarHBondContact O-CD 3.48Å; N414-R418 WeakPolarHBondContact O-CG 3.23Å; N414-R418 PolarHBondContact O-N 2.99Å
415	L	92.9	Very high	88.6	Confident	16 Å²	16	55 Å²	55	8%	0.084	31%	0.305	C	S	.	.	H	α-helix	trans	-54.5	-53.1	169	-69.4	173.6	0	0	0	110.8	F390 A391 T394 Y410 G411 K412 R418 N419	F390-L415 HydrophobicContact CD1-CD1 3.99Å; F390-L415 HydrophobicContact CD1-CD2 4.25Å; F390-L415 HydrophobicContact CE1-CD1 3.56Å; F390-L415 HydrophobicContact CE1-CD2 3.58Å; F390-L415 HydrophobicContact CE1-CG 4.22Å; F390-L415 HydrophobicContact CE2-CD1 4.39Å; F390-L415 HydrophobicContact CZ-CD1 3.78Å; F390-L415 HydrophobicContact CZ-CD2 4.33Å; A391-L415 HydrophobicContact CB-CB 3.99Å; T394-L415 HydrophobicContact CG2-CD1 4.23Å; T394-L415 WeakPolarHBondContact OG1-CD1 3.39Å; Y410-L415 HydrophobicContact CD2-CD2 4.42Å; Y410-L415 HydrophobicContact CG-CD2 4.46Å; G411-L415 WeakPolarHBondContact O-CG 3.45Å; G411-L415 PolarHBondContact O-N 3.02Å; K412-L415 PolarHBondContact O-N 2.87Å; L415-R418 PolarHBondContact O-N 3.3Å; L415-N419 PolarHBondContact O-N 2.89Å; L415-N419 PolarHBondContact O-ND2 2.86Å; L415-N419 PolarHBondContact O-OD1 2.84Å
416	A	91.7	Very high	87.3	Confident	16 Å²	16	54.6 Å²	54.6	13%	0.132	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-42.7	179.7	0	0	0	0	0	113.8	V161 L163 A391 K412 I413 N414 R418 N419 D420	V161-A416 HydrophobicContact CB-CB 4.25Å; V161-A416 HydrophobicContact CG1-CB 4.29Å; V161-A416 HydrophobicContact CG2-CB 4.26Å; L163-A416 HydrophobicContact CD2-CB 3.42Å; L163-A416 VanDerWaalsContact CD2-CB 3.42Å; A391-A416 HydrophobicContact CB-CB 4.43Å; K412-A416 WeakPolarHBondContact O-CB 3.32Å; K412-A416 PolarHBondContact O-N 3.18Å; I413-A416 PolarHBondContact O-N 3.43Å; N414-A416 PolarHBondContact O-N 2.75Å; A416-R418 VanDerWaalsContact C-N 3.3Å; A416-R418 PolarHBondContact O-N 2.92Å; A416-N419 PolarHBondContact O-N 3.2Å; A416-D420 PolarHBondContact O-N 2.82Å
417	K	90.9	Very high	86.2	Confident	71 Å²	71	52.7 Å²	52.7	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-59.1	-42.6	176.1	-76.2	177.1	-177.5	170.4	0	111.8	V161 I413 N414 N419 D420 A443	V161-K417 HydrophobicContact CG1-CD 4.5Å; V161-K417 HydrophobicContact CG1-CG 3.48Å; V161-K417 VanDerWaalsContact CG1-CG 3.48Å; I413-K417 HydrophobicContact CG2-CD 4.01Å; I413-K417 VanDerWaalsContact CG2-CE 3.5Å; I413-K417 HydrophobicContact CG2-CG 4.45Å; I413-K417 WeakPolarHBondContact O-CB 3.34Å; I413-K417 VanDerWaalsContact O-CG 3.29Å; I413-K417 WeakPolarHBondContact O-CG 3.48Å; I413-K417 PolarHBondContact O-N 2.87Å; N414-K417 PolarHBondContact O-N 3.32Å; K417-N419 PolarHBondContact O-N 2.84Å; K417-D420 PolarHBondContact O-N 3.47Å; K417-A443 WeakPolarHBondContact O-CB 3.29Å
418	R	89.8	Confident	84.7	Confident	78 Å²	78	55 Å²	55	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-21.3	-178.9	-71	171.5	78.1	88.1	1.9	112.9	Y410 N414 L415 A416 A443 L444	Y410-R418 PolarHBondContact OH-NH1 2.99Å; Y410-R418 PolarHBondContact OH-NH2 3.17Å; N414-R418 VanDerWaalsContact O-CB 3.23Å; N414-R418 WeakPolarHBondContact O-CB 3.34Å; N414-R418 WeakPolarHBondContact O-CD 3.48Å; N414-R418 WeakPolarHBondContact O-CG 3.23Å; N414-R418 PolarHBondContact O-N 2.99Å; L415-R418 PolarHBondContact O-N 3.3Å; A416-R418 VanDerWaalsContact C-N 3.3Å; A416-R418 PolarHBondContact O-N 2.92Å; R418-A443 WeakPolarHBondContact CG-O 3.41Å; R418-L444 HydrophobicContact CB-CD2 4.43Å; R418-L444 HydrophobicContact CG-CD2 4Å
419	N	85.1	Confident	83.2	Confident	56 Å²	56	58.6 Å²	58.6	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-90.6	-16.9	179.4	-58.4	-22.1	0	0	0	113.1	L387 L415 A416 K417 I421	L387-N419 VanDerWaalsContact CD1-ND2 3.31Å; L387-N419 WeakPolarHBondContact CD1-ND2 3.32Å; L387-N419 HydrophobicContact CD2-CB 4.13Å; L387-N419 WeakPolarHBondContact CD2-ND2 3.44Å; L387-N419 WeakPolarHBondContact CD2-OD1 3.39Å; L387-N419 WeakPolarHBondContact CG-ND2 3.24Å; L415-N419 PolarHBondContact O-N 2.89Å; L415-N419 PolarHBondContact O-ND2 2.86Å; L415-N419 PolarHBondContact O-OD1 2.84Å; A416-N419 PolarHBondContact O-N 3.2Å; K417-N419 PolarHBondContact O-N 2.84Å; N419-I421 VanDerWaalsContact C-N 3.29Å; N419-I421 PolarHBondContact O-N 2.86Å
420	D	88.1	Confident	82	Confident	73 Å²	73	59.7 Å²	59.7	39%	0.39	33%	0.327	S	S	.	.			trans	-84.4	72.8	174.8	-175.4	27.4	0	0	0	110.1	A416 K417 K439	A416-D420 PolarHBondContact O-N 2.82Å; K417-D420 PolarHBondContact O-N 3.47Å; D420-K439 WeakPolarHBondContact O-CB 3.44Å; D420-K439 WeakPolarHBondContact OD1-CD 3.23Å; D420-K439 WeakPolarHBondContact OD1-CE 3.4Å; D420-K439 IonicContact OD1-NZ 3.43Å; D420-K439 PolarHBondContact OD1-NZ 2.95Å
421	I	89.5	Confident	80.6	Confident	45 Å²	45	57.2 Å²	57.2	23%	0.231	32%	0.32	C	S	.	.			trans	-115.4	-9.9	175.7	61.2	165.3	0	0	0	113.4	N419 S436 V440 A443	N419-I421 VanDerWaalsContact C-N 3.29Å; N419-I421 PolarHBondContact O-N 2.86Å; I421-S436 PolarHBondContact O-N 2.84Å; I421-V440 HydrophobicContact CB-CG2 3.89Å; I421-V440 HydrophobicContact CG2-CG2 3.99Å; I421-A443 HydrophobicContact CG2-CB 3.56Å
422	L	86.5	Confident	79.1	Confident	56 Å²	56	60.9 Å²	60.9	29%	0.293	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-97.2	142.9	-173.4	-46.4	177.8	0	0	0	111.1	Y384 I434 I435 K439	Y384-L422 HydrophobicContact CE1-CD1 4.27Å; L422-I434 CarbonylContact C-O 3.52Å; L422-I434 VanDerWaalsContact CA-O 3.23Å; L422-I434 WeakPolarHBondContact CA-O 3.49Å; L422-I434 HydrophobicContact CB-CG2 4.05Å; L422-I434 HydrophobicContact CD1-CG2 4.38Å; L422-I434 HydrophobicContact CD2-CG2 3.53Å; L422-I434 HydrophobicContact CG-CG2 4.16Å; L422-I435 HydrophobicContact CD2-CG1 3.96Å; L422-K439 VanDerWaalsContact O-CD 3.3Å; L422-K439 WeakPolarHBondContact O-CD 3.43Å; L422-K439 WeakPolarHBondContact O-CE 3.45Å; L422-K439 PolarHBondContact O-NZ 2.95Å
423	N	83.2	Confident	77.9	Confident	63 Å²	63	64.8 Å²	64.8	34%	0.337	36%	0.358	S	S	.	.			trans	-62.9	157.8	163.1	-68.6	-38.7	0	0	0	109.9	S425 E433 I434 S436	N423-S425 PolarHBondContact O-N 2.92Å; N423-E433 PolarHBondContact ND2-O 2.92Å; N423-I434 PolarHBondContact N-O 2.93Å; N423-S436 WeakPolarHBondContact OD1-CB 3.11Å; N423-S436 PolarHBondContact OD1-OG 2.74Å
424	S	72.9	Confident	77.3	Confident	129 Å²	129	65.7 Å²	65.7	90%	0.902	36%	0.363	S	S	*	.	S	Bend	trans	-71	-9.8	178.5	47.9	0	0	0	0	114
425	S	71.8	Confident	77.1	Confident	90 Å²	90	64.7 Å²	64.7	63%	0.629	36%	0.357	S	S	*	.	S	Bend	trans	-151.7	143.8	-178.5	56.8	0	0	0	0	109.8	N423	N423-S425 PolarHBondContact O-N 2.92Å
426	G	65.9	Low	77	Confident	42 Å²	42	64.9 Å²	64.9	43%	0.433	36%	0.36	S	S	.	.			trans	163.7	160.1	173.2	0	0	0	0	0	111.5
427	N	65.9	Low	77.1	Confident	64 Å²	64	65.1 Å²	65.1	34%	0.342	36%	0.357	S	S	.	.			trans	-85.6	130.6	176.2	174.4	5.4	0	0	0	111.2	H429 N430 E433 I434	N427-H429 PolarHBondContact O-N 3.43Å; N427-H429 VanDerWaalsContact O-N 3.1Å; N427-H429 WeakPolarHBondContact OD1-CB 3.49Å; N427-H429 PolarHBondContact OD1-CD2 3.28Å; N427-H429 PolarHBondContact OD1-N 2.87Å; N427-N430 HydrophobicContact CB-CB 4.05Å; N427-N430 CarbonylContact O-C 3.59Å; N427-N430 WeakPolarHBondContact O-CA 3.27Å; N427-N430 PolarHBondContact O-N 2.89Å; N427-E433 VanDerWaalsContact CB-OE2 3.31Å; N427-E433 WeakPolarHBondContact CB-OE2 3.43Å; N427-E433 PolarHBondContact N-OE2 2.79Å; N427-I434 WeakPolarHBondContact O-CD1 3.33Å
428	I	60.2	Low	77.2	Confident	128 Å²	128	67.3 Å²	67.3	66%	0.656	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.2	179.6	-162.5	165.1	0	0	0	113.8	N430 I434	I428-N430 VanDerWaalsContact C-N 3.34Å; I428-I434 HydrophobicContact CB-CD1 4.11Å; I428-I434 HydrophobicContact CG1-CD1 4.44Å
429	H	59.1	Low	77.3	Confident	132 Å²	132	66.5 Å²	66.5	61%	0.611	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.6	175.2	-55	-62.1	0	0	0	113.8	N427	N427-H429 PolarHBondContact O-N 3.43Å; N427-H429 VanDerWaalsContact O-N 3.1Å; N427-H429 WeakPolarHBondContact OD1-CB 3.49Å; N427-H429 PolarHBondContact OD1-CD2 3.28Å; N427-H429 PolarHBondContact OD1-N 2.87Å
430	N	63.7	Low	77.8	Confident	60 Å²	60	64 Å²	64	32%	0.321	35%	0.354	S	S	.	.			trans	-121.2	83.8	177.5	-69.7	-9.8	0	0	0	108.7	N427 I428 D432 E433	N427-N430 HydrophobicContact CB-CB 4.05Å; N427-N430 CarbonylContact O-C 3.59Å; N427-N430 WeakPolarHBondContact O-CA 3.27Å; N427-N430 PolarHBondContact O-N 2.89Å; I428-N430 VanDerWaalsContact C-N 3.34Å; N430-D432 VanDerWaalsContact CA-OD1 3.29Å; N430-D432 WeakPolarHBondContact CA-OD1 3.16Å; N430-D432 WeakPolarHBondContact CB-OD1 2.99Å; N430-D432 PolarHBondContact O-N 3.4Å; N430-E433 HydrophobicContact CB-CB 4.37Å; N430-E433 HydrophobicContact CB-CG 3.94Å; N430-E433 PolarHBondContact ND2-OE1 2.86Å; N430-E433 PolarHBondContact O-N 3.41Å
431	P	62.8	Low	78.1	Confident	21 Å²	21	63.7 Å²	63.7	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-55.3	-25.9	-176.7	-23.8	32.6	0	0	0	113.7	E433 I434 I435 Y511 F632	P431-E433 VanDerWaalsContact C-N 3.31Å; P431-E433 PolarHBondContact O-N 2.95Å; P431-I434 PolarHBondContact O-N 2.78Å; P431-I435 PolarHBondContact O-N 3.37Å; P431-Y511 WeakPolarHBondContact CG-OH 3.48Å; P431-F632 HydrophobicContact CB-CD1 3.84Å; P431-F632 HydrophobicContact CB-CE1 4.36Å
432	D	63.1	Low	78.2	Confident	77 Å²	77	68 Å²	68	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-31.1	176.3	59.8	-53.5	0	0	0	114.3	N430 T631	N430-D432 VanDerWaalsContact CA-OD1 3.29Å; N430-D432 WeakPolarHBondContact CA-OD1 3.16Å; N430-D432 WeakPolarHBondContact CB-OD1 2.99Å; N430-D432 PolarHBondContact O-N 3.4Å; D432-T631 HydrophobicContact CB-CG2 3.11Å
433	E	68.3	Low	78.5	Confident	81 Å²	81	65.7 Å²	65.7	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-81.1	-23.9	176.6	-62.9	175.8	-166.6	0	0	111.4	N423 N427 N430 P431	N423-E433 PolarHBondContact ND2-O 2.92Å; N427-E433 VanDerWaalsContact CB-OE2 3.31Å; N427-E433 WeakPolarHBondContact CB-OE2 3.43Å; N427-E433 PolarHBondContact N-OE2 2.79Å; N430-E433 HydrophobicContact CB-CB 4.37Å; N430-E433 HydrophobicContact CB-CG 3.94Å; N430-E433 PolarHBondContact ND2-OE1 2.86Å; N430-E433 PolarHBondContact O-N 3.41Å; P431-E433 VanDerWaalsContact C-N 3.31Å; P431-E433 PolarHBondContact O-N 2.95Å
434	I	78.9	Confident	79	Confident	30 Å²	30	64 Å²	64	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-99.5	-51.6	-170.8	-64.1	-179	0	0	0	112.8	L422 N423 N427 I428 P431 S436	L422-I434 CarbonylContact C-O 3.52Å; L422-I434 VanDerWaalsContact CA-O 3.23Å; L422-I434 WeakPolarHBondContact CA-O 3.49Å; L422-I434 HydrophobicContact CB-CG2 4.05Å; L422-I434 HydrophobicContact CD1-CG2 4.38Å; L422-I434 HydrophobicContact CD2-CG2 3.53Å; L422-I434 HydrophobicContact CG-CG2 4.16Å; N423-I434 PolarHBondContact N-O 2.93Å; N427-I434 WeakPolarHBondContact O-CD1 3.33Å; I428-I434 HydrophobicContact CB-CD1 4.11Å; I428-I434 HydrophobicContact CG1-CD1 4.44Å; P431-I434 PolarHBondContact O-N 2.78Å; I434-S436 PolarHBondContact O-N 3.5Å
435	I	89.5	Confident	79.9	Confident	31 Å²	31	61.9 Å²	61.9	16%	0.159	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-87.9	120.2	-169.8	-65.4	164.2	0	0	0	109.9	L422 P431 V440 F632	L422-I435 HydrophobicContact CD2-CG1 3.96Å; P431-I435 PolarHBondContact O-N 3.37Å; I435-V440 HydrophobicContact CG2-CG2 3.76Å; I435-F632 HydrophobicContact CB-CB 3.65Å; I435-F632 HydrophobicContact CB-CD1 4.11Å; I435-F632 HydrophobicContact CB-CD2 4.26Å; I435-F632 HydrophobicContact CB-CG 3.75Å; I435-F632 HydrophobicContact CD1-CD1 3.35Å; I435-F632 HydrophobicContact CD1-CD2 4.16Å; I435-F632 HydrophobicContact CD1-CE1 3.34Å; I435-F632 HydrophobicContact CD1-CE2 4.15Å; I435-F632 HydrophobicContact CD1-CG 3.75Å; I435-F632 HydrophobicContact CD1-CZ 3.75Å; I435-F632 HydrophobicContact CG1-CD1 4.28Å; I435-F632 HydrophobicContact CG1-CG 4.35Å; I435-F632 HydrophobicContact CG2-CB 3.77Å; I435-F632 HydrophobicContact CG2-CD1 4.45Å; I435-F632 HydrophobicContact CG2-CD2 3.71Å; I435-F632 HydrophobicContact CG2-CE2 4.4Å; I435-F632 HydrophobicContact CG2-CG 3.72Å
436	S	91	Very high	80.9	Confident	19 Å²	19	63.3 Å²	63.3	13%	0.133	33%	0.326	C	S	.	.			trans	-92.9	121.5	-173	-174.5	0	0	0	0	111.8	I421 N423 I434 E438 K439 V440	I421-S436 PolarHBondContact O-N 2.84Å; N423-S436 WeakPolarHBondContact OD1-CB 3.11Å; N423-S436 PolarHBondContact OD1-OG 2.74Å; I434-S436 PolarHBondContact O-N 3.5Å; S436-E438 PolarHBondContact O-N 3.15Å; S436-K439 PolarHBondContact O-N 3.01Å; S436-V440 WeakPolarHBondContact O-CB 3.4Å; S436-V440 VanDerWaalsContact O-CG2 3.29Å; S436-V440 WeakPolarHBondContact O-CG2 3.48Å; S436-V440 PolarHBondContact O-N 3.47Å
437	Y	92.8	Very high	82.3	Confident	22 Å²	22	62.9 Å²	62.9	9%	0.086	32%	0.316	C	S	.	.	H	α-helix	trans	-55.8	-49.9	177.9	177.6	-103	0	0	0	113	K439 V440 K441 I449 V451 F619 P630	Y437-K439 PolarHBondContact O-N 2.63Å; Y437-V440 PolarHBondContact O-N 2.86Å; Y437-K441 HydrophobicContact CD1-CD 4.25Å; Y437-K441 HydrophobicContact CE1-CD 3.58Å; Y437-K441 HydrophobicContact CE2-CD 4.23Å; Y437-K441 PolarHBondContact O-N 3.34Å; Y437-I449 HydrophobicContact CE2-CG2 3.9Å; Y437-V451 HydrophobicContact CE2-CG2 3.87Å; Y437-F619 HydrophobicContact CD2-CB 4.44Å; Y437-F619 AromaticContact CD2-CD1 3.65Å; Y437-F619 HydrophobicContact CD2-CD1 3.65Å; Y437-F619 AromaticContact CD2-CD2 3.86Å; Y437-F619 HydrophobicContact CD2-CD2 3.86Å; Y437-F619 AromaticContact CD2-CE1 3.74Å; Y437-F619 HydrophobicContact CD2-CE1 3.74Å; Y437-F619 AromaticContact CD2-CE2 3.9Å; Y437-F619 HydrophobicContact CD2-CE2 3.9Å; Y437-F619 AromaticContact CD2-CG 3.73Å; Y437-F619 HydrophobicContact CD2-CG 3.73Å; Y437-F619 AromaticContact CD2-CZ 3.86Å; Y437-F619 HydrophobicContact CD2-CZ 3.86Å; Y437-F619 HydrophobicContact CE2-CD2 4.22Å; Y437-F619 HydrophobicContact CE2-CE2 4.45Å; Y437-F619 HydrophobicContact CE2-CG 4.31Å; Y437-F619 HydrophobicContact CG-CD1 4.32Å; Y437-F619 HydrophobicContact CG-CE1 4.25Å; Y437-P630 HydrophobicContact CD1-CG 4.35Å; Y437-P630 HydrophobicContact CD2-CB 4.12Å; Y437-P630 HydrophobicContact CD2-CG 4.12Å; Y437-P630 HydrophobicContact CE1-CG 4.35Å; Y437-P630 HydrophobicContact CE2-CB 4.45Å; Y437-P630 HydrophobicContact CE2-CG 4.11Å; Y437-P630 HydrophobicContact CG-CB 4.39Å; Y437-P630 HydrophobicContact CG-CG 4.23Å
438	E	92.3	Very high	83.8	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-39.6	-178.9	-64.5	-55.9	143	0	0	112.2	S436 K441 K442	S436-E438 PolarHBondContact O-N 3.15Å; E438-K441 PolarHBondContact O-N 2.89Å; E438-K442 PolarHBondContact O-N 2.99Å; E438-K442 VanDerWaalsContact O-N 3.12Å
439	K	93.3	Very high	85.6	Confident	62 Å²	62	54.7 Å²	54.7	27%	0.27	28%	0.275	S	S	.	.	H	α-helix	trans	-67.7	-41.7	176.3	-66	-171.9	166.9	-160	0	111.6	D420 L422 S436 Y437 K441 K442 A443	D420-K439 WeakPolarHBondContact O-CB 3.44Å; D420-K439 WeakPolarHBondContact OD1-CD 3.23Å; D420-K439 WeakPolarHBondContact OD1-CE 3.4Å; D420-K439 IonicContact OD1-NZ 3.43Å; D420-K439 PolarHBondContact OD1-NZ 2.95Å; L422-K439 VanDerWaalsContact O-CD 3.3Å; L422-K439 WeakPolarHBondContact O-CD 3.43Å; L422-K439 WeakPolarHBondContact O-CE 3.45Å; L422-K439 PolarHBondContact O-NZ 2.95Å; S436-K439 PolarHBondContact O-N 3.01Å; Y437-K439 PolarHBondContact O-N 2.63Å; K439-K441 VanDerWaalsContact C-N 3.34Å; K439-K441 PolarHBondContact O-N 2.75Å; K439-K442 PolarHBondContact O-N 3.27Å; K439-K442 VanDerWaalsContact O-N 3.12Å; K439-A443 WeakPolarHBondContact O-CB 3.48Å; K439-A443 PolarHBondContact O-N 3.04Å
440	V	94.8	Very high	87.4	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-46	174.5	166.7	0	0	0	0	111.1	I421 I435 S436 Y437 K442 A443 L444 I449 I617 F619	I421-V440 HydrophobicContact CB-CG2 3.89Å; I421-V440 HydrophobicContact CG2-CG2 3.99Å; I435-V440 HydrophobicContact CG2-CG2 3.76Å; S436-V440 WeakPolarHBondContact O-CB 3.4Å; S436-V440 VanDerWaalsContact O-CG2 3.29Å; S436-V440 WeakPolarHBondContact O-CG2 3.48Å; S436-V440 PolarHBondContact O-N 3.47Å; Y437-V440 PolarHBondContact O-N 2.86Å; V440-K442 VanDerWaalsContact C-N 3.28Å; V440-K442 PolarHBondContact O-N 3.17Å; V440-A443 PolarHBondContact O-N 3.14Å; V440-L444 WeakPolarHBondContact O-CB 3.37Å; V440-L444 PolarHBondContact O-N 3.27Å; V440-I449 HydrophobicContact CG1-CD1 4.3Å; V440-I617 HydrophobicContact CG1-CD1 3.57Å; V440-I617 HydrophobicContact CG1-CG2 4.43Å; V440-F619 HydrophobicContact CB-CZ 4.08Å; V440-F619 HydrophobicContact CG1-CE2 4.26Å; V440-F619 HydrophobicContact CG1-CZ 4.06Å; V440-F619 HydrophobicContact CG2-CZ 4.15Å
441	K	94.1	Very high	89	Confident	66 Å²	66	45.9 Å²	45.9	29%	0.287	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-38.5	176.2	-72.3	-172.5	66.8	143.5	0	112.8	Y437 E438 K439 P445 I449 E474	Y437-K441 HydrophobicContact CD1-CD 4.25Å; Y437-K441 HydrophobicContact CE1-CD 3.58Å; Y437-K441 HydrophobicContact CE2-CD 4.23Å; Y437-K441 PolarHBondContact O-N 3.34Å; E438-K441 PolarHBondContact O-N 2.89Å; K439-K441 VanDerWaalsContact C-N 3.34Å; K439-K441 PolarHBondContact O-N 2.75Å; K441-P445 VanDerWaalsContact O-CA 3.24Å; K441-P445 WeakPolarHBondContact O-CA 3.45Å; K441-I449 HydrophobicContact CG-CD1 3.63Å; K441-E474 VanDerWaalsContact NZ-CD 3.29Å; K441-E474 IonicContact NZ-OE1 3.65Å; K441-E474 PolarHBondContact NZ-OE1 3.06Å; K441-E474 IonicContact NZ-OE2 2.68Å; K441-E474 PolarHBondContact NZ-OE2 2.92Å
442	K	92.5	Very high	90.7	Very high	137 Å²	137	44.9 Å²	44.9	60%	0.596	23%	0.226	S	C	*	.	H	α-helix	trans	-73.7	-39.2	177.7	-174.9	-177.7	174.6	-168.5	0	112.8	E438 K439 V440	E438-K442 PolarHBondContact O-N 2.99Å; E438-K442 VanDerWaalsContact O-N 3.12Å; K439-K442 PolarHBondContact O-N 3.27Å; K439-K442 VanDerWaalsContact O-N 3.12Å; V440-K442 VanDerWaalsContact C-N 3.28Å; V440-K442 PolarHBondContact O-N 3.17Å
443	A	92.9	Very high	92.3	Very high	6 Å²	6	43.5 Å²	43.5	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-73.8	-37.7	-177.7	0	0	0	0	0	111.9	K417 R418 I421 K439 V440 P445	K417-A443 WeakPolarHBondContact O-CB 3.29Å; R418-A443 WeakPolarHBondContact CG-O 3.41Å; I421-A443 HydrophobicContact CG2-CB 3.56Å; K439-A443 WeakPolarHBondContact O-CB 3.48Å; K439-A443 PolarHBondContact O-N 3.04Å; V440-A443 PolarHBondContact O-N 3.14Å; A443-P445 VanDerWaalsContact C-CD 3.44Å
444	L	93.5	Very high	93.5	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.147	20%	0.2	C	C	.	.			trans	-129.7	58.5	-172.9	-58.9	174.8	0	0	0	111	R418 V440 Q446 S447 I617	R418-L444 HydrophobicContact CB-CD2 4.43Å; R418-L444 HydrophobicContact CG-CD2 4Å; V440-L444 WeakPolarHBondContact O-CB 3.37Å; V440-L444 PolarHBondContact O-N 3.27Å; L444-Q446 PolarHBondContact O-N 2.93Å; L444-S447 PolarHBondContact O-N 3.1Å; L444-I617 HydrophobicContact CD1-CD1 3.73Å
445	P	92.4	Very high	94.2	Very high	84 Å²	84	40.7 Å²	40.7	55%	0.545	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.5	-171.3	28.7	-37.3	0	0	0	114.4	K441 A443 P476	K441-P445 VanDerWaalsContact O-CA 3.24Å; K441-P445 WeakPolarHBondContact O-CA 3.45Å; A443-P445 VanDerWaalsContact C-CD 3.44Å; P445-P476 WeakPolarHBondContact O-CB 3.44Å; P445-P476 VanDerWaalsContact O-CG 3.25Å; P445-P476 WeakPolarHBondContact O-CG 3.49Å
446	Q	92.3	Very high	94.3	Very high	121 Å²	121	45.3 Å²	45.3	57%	0.565	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-5.7	178.3	-69.3	178.4	-24.6	0	0	113	L444 L477	L444-Q446 PolarHBondContact O-N 2.93Å; Q446-L477 HydrophobicContact CB-CD1 4.38Å; Q446-L477 HydrophobicContact CB-CD2 3.95Å; Q446-L477 HydrophobicContact CB-CG 4.12Å; Q446-L477 HydrophobicContact CG-CD2 3.94Å; Q446-L477 WeakPolarHBondContact O-CG 3.21Å
447	S	94.8	Very high	94.3	Very high	32 Å²	32	45.4 Å²	45.4	22%	0.224	23%	0.23	C	C	.	.	S	Bend	trans	-82.1	136.6	-176.3	-71.6	0	0	0	0	111.2	L444 I449	L444-S447 PolarHBondContact O-N 3.1Å; S447-I449 PolarHBondContact O-N 2.86Å
448	P	97.2	Very high	94.3	Very high	17 Å²	17	44.6 Å²	44.6	11%	0.11	23%	0.228	C	C	.	.			trans	-60.8	136.1	170.9	-23.9	34.5	0	0	0	111.7	F473 E474 F614 E616 I617	P448-F473 HydrophobicContact CB-CE2 3.87Å; P448-F473 HydrophobicContact CB-CZ 4.09Å; P448-E474 CarbonylContact C-O 3.58Å; P448-E474 WeakPolarHBondContact CA-O 3.39Å; P448-F614 HydrophobicContact CB-CD2 4.37Å; P448-F614 HydrophobicContact CB-CE2 4.09Å; P448-F614 HydrophobicContact CG-CD2 4.01Å; P448-F614 HydrophobicContact CG-CE2 4.1Å; P448-E616 HydrophobicContact CB-CB 4.03Å; P448-E616 WeakPolarHBondContact O-CA 3.49Å; P448-I617 PolarHBondContact O-N 3.18Å
449	I	97.9	Very high	94	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.1	-179.1	-68.4	172.3	0	0	0	108.4	Y437 V440 K441 S447 V451 F473 E474 I617 F619	Y437-I449 HydrophobicContact CE2-CG2 3.9Å; V440-I449 HydrophobicContact CG1-CD1 4.3Å; K441-I449 HydrophobicContact CG-CD1 3.63Å; S447-I449 PolarHBondContact O-N 2.86Å; I449-V451 HydrophobicContact CG2-CG2 4.32Å; I449-F473 WeakPolarHBondContact O-CA 3.48Å; I449-E474 HydrophobicContact CB-CB 4.49Å; I449-E474 PolarHBondContact N-O 3.18Å; I449-E474 PolarHBondContact O-N 3.29Å; I449-I617 WeakPolarHBondContact CA-O 3.36Å; I449-I617 HydrophobicContact CG1-CB 4.32Å; I449-F619 HydrophobicContact CG2-CD2 3.86Å; I449-F619 HydrophobicContact CG2-CE2 4.11Å
450	I	97.9	Very high	93.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.4	173.3	-165	161.6	0	0	0	110.2	W452 T471 T472 F473 H557 E616 I617 F619	I450-W452 HydrophobicContact CB-CZ2 4.42Å; I450-W452 HydrophobicContact CD1-CZ2 3.81Å; I450-W452 HydrophobicContact CG1-CD2 4.47Å; I450-W452 HydrophobicContact CG1-CZ2 4.14Å; I450-W452 HydrophobicContact CG2-CD2 4.38Å; I450-W452 HydrophobicContact CG2-CE3 4.33Å; I450-W452 HydrophobicContact CG2-CH2 3.46Å; I450-W452 VanDerWaalsContact CG2-CH2 3.46Å; I450-W452 HydrophobicContact CG2-CZ2 3.47Å; I450-W452 VanDerWaalsContact CG2-CZ2 3.47Å; I450-W452 HydrophobicContact CG2-CZ3 3.91Å; I450-T471 HydrophobicContact CD1-CG2 3.78Å; I450-T471 HydrophobicContact CG1-CG2 3.59Å; I450-T472 CarbonylContact C-O 3.57Å; I450-T472 WeakPolarHBondContact CA-O 3.24Å; I450-F473 HydrophobicContact CB-CD2 4.11Å; I450-F473 HydrophobicContact CD1-CB 4.48Å; I450-F473 HydrophobicContact CD1-CD2 4.36Å; I450-F473 HydrophobicContact CG1-CB 4.36Å; I450-F473 HydrophobicContact CG1-CD2 4.4Å; I450-H557 VanDerWaalsContact CD1-CE1 3.48Å; I450-H557 WeakPolarHBondContact CD1-CE1 3.31Å; I450-E616 HydrophobicContact CG2-CG 4.2Å; I450-I617 PolarHBondContact N-O 3.37Å; I450-F619 PolarHBondContact O-N 2.99Å
451	V	97.2	Very high	93.5	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108.9	177	-176.3	0	0	0	0	108.5	Y437 I449 T471 T472 F619 R621 P630	Y437-V451 HydrophobicContact CE2-CG2 3.87Å; I449-V451 HydrophobicContact CG2-CG2 4.32Å; V451-T471 WeakPolarHBondContact O-CA 3.23Å; V451-T472 PolarHBondContact N-O 3.44Å; V451-T472 PolarHBondContact O-N 2.53Å; V451-F619 WeakPolarHBondContact CA-O 3.35Å; V451-F619 HydrophobicContact CG2-CB 4.23Å; V451-R621 HydrophobicContact CG1-CB 4.3Å; V451-P630 HydrophobicContact CG1-CB 3.92Å; V451-P630 HydrophobicContact CG1-CG 3.75Å; V451-P630 HydrophobicContact CG2-CB 4.42Å; V451-P630 HydrophobicContact CG2-CG 4.15Å
452	W	97.3	Very high	93.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.6	173.1	-61.7	-67.3	0	0	0	110.3	I450 I454 I468 F497 E516 H557 F619 R620 R621 L633 Y636	I450-W452 HydrophobicContact CB-CZ2 4.42Å; I450-W452 HydrophobicContact CD1-CZ2 3.81Å; I450-W452 HydrophobicContact CG1-CD2 4.47Å; I450-W452 HydrophobicContact CG1-CZ2 4.14Å; I450-W452 HydrophobicContact CG2-CD2 4.38Å; I450-W452 HydrophobicContact CG2-CE3 4.33Å; I450-W452 HydrophobicContact CG2-CH2 3.46Å; I450-W452 VanDerWaalsContact CG2-CH2 3.46Å; I450-W452 HydrophobicContact CG2-CZ2 3.47Å; I450-W452 VanDerWaalsContact CG2-CZ2 3.47Å; I450-W452 HydrophobicContact CG2-CZ3 3.91Å; W452-I454 HydrophobicContact CB-CG2 3.97Å; W452-I454 PolarHBondContact O-N 3.08Å; W452-I468 HydrophobicContact CB-CD1 3.72Å; W452-I468 HydrophobicContact CG-CD1 4.08Å; W452-F497 AromaticContact CD1-CE2 3.69Å; W452-F497 AromaticContact CD1-CZ 3.83Å; W452-F497 HydrophobicContact CD2-CZ 4.11Å; W452-F497 AromaticContact CE2-CZ 3.83Å; W452-F497 HydrophobicContact CG-CE2 4.38Å; W452-F497 HydrophobicContact CG-CZ 4.1Å; W452-F497 HydrophobicContact CZ2-CZ 4.41Å; W452-F497 AromaticContact NE1-CE2 3.54Å; W452-F497 AromaticContact NE1-CZ 3.67Å; W452-E516 PolarHBondContact NE1-OE2 2.74Å; W452-H557 HydrophobicContact CH2-CB 4.27Å; W452-H557 HydrophobicContact CZ2-CB 3.98Å; W452-H557 AromaticContact CZ2-CG 3.59Å; W452-H557 AromaticContact CZ2-ND1 3.61Å; W452-F619 PolarHBondContact N-O 3.34Å; W452-R620 CarbonylContact O-C 3.56Å; W452-R620 WeakPolarHBondContact O-CA 3.26Å; W452-R621 PolarHBondContact O-N 3.02Å; W452-L633 HydrophobicContact CE3-CD1 3.78Å; W452-L633 HydrophobicContact CZ3-CD1 3.93Å; W452-Y636 HydrophobicContact CH2-CD1 4.43Å; W452-Y636 AromaticContact CH2-CD2 3.75Å; W452-Y636 HydrophobicContact CH2-CD2 3.75Å; W452-Y636 HydrophobicContact CH2-CE1 4.46Å; W452-Y636 AromaticContact CH2-CE2 3.78Å; W452-Y636 HydrophobicContact CH2-CE2 3.78Å; W452-Y636 HydrophobicContact CH2-CG 4.1Å; W452-Y636 HydrophobicContact CZ3-CD2 4.09Å; W452-Y636 AromaticContact CZ3-CE2 3.67Å; W452-Y636 HydrophobicContact CZ3-CE2 3.67Å
453	N	96.5	Very high	93.1	Very high	47 Å²	47	47.4 Å²	47.4	25%	0.251	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	82.5	172.2	-172.6	2.4	0	0	0	109.7	I468 N469 G470 R621	N453-I468 WeakPolarHBondContact O-CG1 3.37Å; N453-N469 HydrophobicContact CB-CB 4.22Å; N453-N469 WeakPolarHBondContact O-CA 2.96Å; N453-N469 VanDerWaalsContact O-CB 3.24Å; N453-N469 WeakPolarHBondContact O-CB 3.4Å; N453-N469 PolarHBondContact O-N 3.46Å; N453-G470 WeakPolarHBondContact CB-O 3.39Å; N453-G470 PolarHBondContact N-O 2.75Å; N453-R621 CarbonylContact C-O 3.58Å; N453-R621 WeakPolarHBondContact CA-O 3.48Å; N453-R621 HydrophobicContact CB-CB 4.45Å; N453-R621 PolarHBondContact OD1-O 3.44Å
454	I	94.9	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.			trans	-134.1	127.1	-171.2	-169.9	170.3	0	0	0	112.4	W452 N456 L457 V466 I468 F497 R620 R621	W452-I454 HydrophobicContact CB-CG2 3.97Å; W452-I454 PolarHBondContact O-N 3.08Å; I454-N456 WeakPolarHBondContact CD1-O 3.3Å; I454-N456 WeakPolarHBondContact CG1-O 3.35Å; I454-L457 HydrophobicContact CG2-CD2 3.73Å; I454-L457 HydrophobicContact CG2-CG 4.48Å; I454-V466 HydrophobicContact CD1-CG2 4.03Å; I454-I468 HydrophobicContact CB-CB 4.33Å; I454-I468 HydrophobicContact CB-CD1 4.05Å; I454-I468 HydrophobicContact CB-CG1 3.91Å; I454-I468 HydrophobicContact CD1-CB 4.2Å; I454-I468 HydrophobicContact CG1-CB 4.28Å; I454-I468 HydrophobicContact CG1-CG1 4.42Å; I454-F497 HydrophobicContact CD1-CB 4.07Å; I454-F497 HydrophobicContact CD1-CD1 3.6Å; I454-F497 HydrophobicContact CD1-CE1 4.34Å; I454-F497 HydrophobicContact CD1-CG 4.11Å; I454-R620 HydrophobicContact CG2-CG 4.1Å; I454-R620 PolarHBondContact O-NE 2.93Å; I454-R620 PolarHBondContact O-NH2 3.34Å; I454-R621 PolarHBondContact N-O 3.01Å
455	D	93.1	Very high	93.1	Very high	53 Å²	53	56.1 Å²	56.1	28%	0.283	29%	0.293	S	S	.	.	S	Bend	trans	-79	-36.8	-177.2	-72.1	-20.1	0	0	0	113.4	R620 T622 S623	D455-R620 PolarHBondContact O-NH2 3.07Å; D455-T622 WeakPolarHBondContact OD1-CA 3.33Å; D455-T622 WeakPolarHBondContact OD1-CB 3.19Å; D455-S623 WeakPolarHBondContact OD1-CB 3.1Å; D455-S623 PolarHBondContact OD1-N 3.18Å; D455-S623 PolarHBondContact OD1-OG 3.17Å; D455-S623 VanDerWaalsContact OD2-CB 3.32Å; D455-S623 WeakPolarHBondContact OD2-CB 3.36Å; D455-S623 PolarHBondContact OD2-OG 2.87Å
456	N	90.8	Very high	93.2	Very high	127 Å²	127	53.9 Å²	53.9	68%	0.679	28%	0.277	S	S	*	.	S	Bend	trans	-130.3	115.1	177.9	-65.7	-57.2	0	0	0	109.2	I454	I454-N456 WeakPolarHBondContact CD1-O 3.3Å; I454-N456 WeakPolarHBondContact CG1-O 3.35Å
457	L	92.1	Very high	93.4	Very high	22 Å²	22	52.8 Å²	52.8	12%	0.115	28%	0.28	C	S	.	.			trans	-67.6	134.5	173.5	-71.4	170.4	0	0	0	109.6	I454 L509 P510 F514 L633	I454-L457 HydrophobicContact CG2-CD2 3.73Å; I454-L457 HydrophobicContact CG2-CG 4.48Å; L457-L509 HydrophobicContact CB-CD1 4.15Å; L457-L509 HydrophobicContact CB-CD2 3.72Å; L457-L509 HydrophobicContact CD1-CD2 4.16Å; L457-P510 HydrophobicContact CD1-CB 4.04Å; L457-F514 HydrophobicContact CD2-CE1 4.29Å; L457-F514 HydrophobicContact CD2-CZ 4.01Å; L457-L633 HydrophobicContact CD1-CD1 4.3Å; L457-L633 HydrophobicContact CD1-CD2 4.17Å; L457-L633 HydrophobicContact CD2-CD1 4.27Å
458	P	92.7	Very high	93.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.032	27%	0.27	C	S	.	.			trans	-66.5	135.8	176	27.6	-32.7	0	0	0	110.3	V466 F497 A499 F514	P458-V466 HydrophobicContact CB-CG1 4.33Å; P458-V466 HydrophobicContact CB-CG2 3.9Å; P458-V466 HydrophobicContact CG-CG2 4.02Å; P458-F497 HydrophobicContact CG-CD1 3.87Å; P458-F497 HydrophobicContact CG-CE1 4.48Å; P458-A499 HydrophobicContact CB-CB 4.35Å; P458-A499 HydrophobicContact CG-CB 4.5Å; P458-F514 HydrophobicContact CG-CD1 3.98Å; P458-F514 HydrophobicContact CG-CE1 4.16Å
459	Y	86.1	Confident	93.5	Very high	129 Å²	129	54 Å²	54	51%	0.506	28%	0.283	S	S	.	.			trans	-95.6	-34.5	-173.3	-178	-99.2	0	0	0	114	L509 K512	Y459-L509 HydrophobicContact CD2-CD1 4.13Å; Y459-L509 HydrophobicContact CD2-CG 4.11Å; Y459-K512 VanDerWaalsContact O-CD 3.3Å; Y459-K512 WeakPolarHBondContact O-CD 3.48Å; Y459-K512 WeakPolarHBondContact O-CE 3.37Å; Y459-K512 PolarHBondContact O-NZ 2.95Å
460	N	89.5	Confident	93.4	Very high	41 Å²	41	54.2 Å²	54.2	22%	0.219	29%	0.287	C	S	.	.			trans	-137.6	132.8	-174.8	-173.2	-40.8	0	0	0	110	N462 N463 N505	N460-N462 PolarHBondContact O-N 2.82Å; N460-N462 VanDerWaalsContact O-N 3.09Å; N460-N462 WeakPolarHBondContact OD1-CB 3.05Å; N460-N462 PolarHBondContact OD1-N 2.7Å; N460-N463 VanDerWaalsContact O-CB 3.26Å; N460-N463 WeakPolarHBondContact O-CB 3.41Å; N460-N463 PolarHBondContact O-N 2.82Å; N460-N505 WeakPolarHBondContact CA-OD1 3.4Å; N460-N505 PolarHBondContact OD1-ND2 3.17Å; N460-N505 PolarHBondContact OD1-OD1 2.98Å
461	K	87.8	Confident	93.4	Very high	68 Å²	68	54.3 Å²	54.3	30%	0.296	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.5	-178.3	75.4	169.4	-159.8	168.2	0	114.6	N463 N498 A499 T502 N505	K461-N463 VanDerWaalsContact C-N 3.26Å; K461-N498 PolarHBondContact O-ND2 2.89Å; K461-A499 VanDerWaalsContact CA-O 3.26Å; K461-A499 WeakPolarHBondContact CA-O 3.27Å; K461-A499 HydrophobicContact CB-CB 4.45Å; K461-A499 WeakPolarHBondContact CB-O 3.36Å; K461-T502 VanDerWaalsContact CE-OG1 3.3Å; K461-T502 WeakPolarHBondContact CE-OG1 3.34Å; K461-T502 PolarHBondContact NZ-OG1 2.85Å; K461-N505 PolarHBondContact N-OD1 3.39Å
462	N	88.9	Confident	93.4	Very high	119 Å²	119	56.5 Å²	56.5	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8	-178.5	-63.3	-30.7	0	0	0	111.4	N460	N460-N462 PolarHBondContact O-N 2.82Å; N460-N462 VanDerWaalsContact O-N 3.09Å; N460-N462 WeakPolarHBondContact OD1-CB 3.05Å; N460-N462 PolarHBondContact OD1-N 2.7Å
463	N	89.5	Confident	93.5	Very high	85 Å²	85	56.6 Å²	56.6	46%	0.455	30%	0.301	S	S	.	.	S	Bend	trans	-74	159.9	171.7	-65	-0.8	0	0	0	109.6	N460 K461 N498	N460-N463 VanDerWaalsContact O-CB 3.26Å; N460-N463 WeakPolarHBondContact O-CB 3.41Å; N460-N463 PolarHBondContact O-N 2.82Å; K461-N463 VanDerWaalsContact C-N 3.26Å; N463-N498 PolarHBondContact O-ND2 2.82Å
464	D	91.7	Very high	93.5	Very high	145 Å²	145	57 Å²	57	78%	0.775	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-58.5	148.5	171.9	-63.9	-31.2	0	0	0	110.7	V466	D464-V466 PolarHBondContact O-N 3.23Å
465	N	94.8	Very high	93.6	Very high	73 Å²	73	57.5 Å²	57.5	39%	0.39	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-56.9	137	173.3	-61.9	-18.8	0	0	0	109.3	M496 F497 N498 I517	N465-M496 VanDerWaalsContact C-CE 3.43Å; N465-M496 HydrophobicContact CB-CB 4.15Å; N465-M496 HydrophobicContact CB-CE 3.51Å; N465-M496 WeakPolarHBondContact O-CE 3.22Å; N465-F497 CarbonylContact C-O 3.53Å; N465-F497 WeakPolarHBondContact CA-O 3.39Å; N465-N498 PolarHBondContact OD1-ND2 3.19Å; N465-I517 WeakPolarHBondContact ND2-CD1 3.49Å
466	V	95.4	Very high	93.6	Very high	37 Å²	37	58.2 Å²	58.2	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.4	178.2	-59	0	0	0	0	110.4	I454 P458 D464 F497	I454-V466 HydrophobicContact CD1-CG2 4.03Å; P458-V466 HydrophobicContact CB-CG1 4.33Å; P458-V466 HydrophobicContact CB-CG2 3.9Å; P458-V466 HydrophobicContact CG-CG2 4.02Å; D464-V466 PolarHBondContact O-N 3.23Å; V466-F497 HydrophobicContact CG2-CB 4.21Å; V466-F497 WeakPolarHBondContact CG2-O 3.43Å; V466-F497 PolarHBondContact N-O 3.45Å; V466-F497 PolarHBondContact O-N 2.81Å
467	P	95.9	Very high	93.7	Very high	97 Å²	97	57.2 Å²	57.2	63%	0.63	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	138.3	174.5	29.1	-33.9	0	0	0	111
468	I	96.8	Very high	93.8	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140	169.1	174.7	166.3	0	0	0	108.3	W452 N453 I454 G470 A494 H495 F497	W452-I468 HydrophobicContact CB-CD1 3.72Å; W452-I468 HydrophobicContact CG-CD1 4.08Å; N453-I468 WeakPolarHBondContact O-CG1 3.37Å; I454-I468 HydrophobicContact CB-CB 4.33Å; I454-I468 HydrophobicContact CB-CD1 4.05Å; I454-I468 HydrophobicContact CB-CG1 3.91Å; I454-I468 HydrophobicContact CD1-CB 4.2Å; I454-I468 HydrophobicContact CG1-CB 4.28Å; I454-I468 HydrophobicContact CG1-CG1 4.42Å; I468-G470 VanDerWaalsContact C-N 3.29Å; I468-G470 PolarHBondContact O-N 3.45Å; I468-A494 VanDerWaalsContact O-CA 3.24Å; I468-A494 WeakPolarHBondContact O-CA 3.43Å; I468-H495 WeakPolarHBondContact CG2-CE1 3.02Å; I468-H495 VanDerWaalsContact CG2-NE2 3.28Å; I468-H495 WeakPolarHBondContact CG2-NE2 3.3Å; I468-H495 VanDerWaalsContact CG2-O 3.25Å; I468-H495 WeakPolarHBondContact CG2-O 3.47Å; I468-H495 PolarHBondContact N-O 2.8Å; I468-H495 PolarHBondContact O-N 3.15Å; I468-H495 VanDerWaalsContact O-N 3.15Å; I468-F497 HydrophobicContact CB-CB 4.13Å; I468-F497 HydrophobicContact CD1-CD2 4.24Å; I468-F497 HydrophobicContact CD1-CG 4.47Å; I468-F497 HydrophobicContact CG2-CB 3.91Å
469	N	96.2	Very high	93.9	Very high	73 Å²	73	60.6 Å²	60.6	39%	0.39	32%	0.323	S	S	.	.	S	Bend	trans	-74.7	-22.8	-175.4	-59.5	-44.1	0	0	0	112.3	N453 G493 A494	N453-N469 HydrophobicContact CB-CB 4.22Å; N453-N469 WeakPolarHBondContact O-CA 2.96Å; N453-N469 VanDerWaalsContact O-CB 3.24Å; N453-N469 WeakPolarHBondContact O-CB 3.4Å; N453-N469 PolarHBondContact O-N 3.46Å; N469-G493 CarbonylContact O-C 3.39Å; N469-A494 PolarHBondContact O-N 2.82Å
470	G	96.7	Very high	94.2	Very high	9 Å²	9	57.8 Å²	57.8	9%	0.093	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.2	169.8	173.8	0	0	0	0	0	112.6	N453 I468 V492 G493	N453-G470 WeakPolarHBondContact CB-O 3.39Å; N453-G470 PolarHBondContact N-O 2.75Å; I468-G470 VanDerWaalsContact C-N 3.29Å; I468-G470 PolarHBondContact O-N 3.45Å; G470-V492 CarbonylContact C-O 3.51Å; G470-V492 WeakPolarHBondContact CA-O 3.24Å; G470-G493 WeakPolarHBondContact CA-O 3.39Å
471	T	98.1	Very high	94.4	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.8	177.9	-57.5	0	0	0	0	110	I450 V451 F490 T491 V492 H495 E516	I450-T471 HydrophobicContact CD1-CG2 3.78Å; I450-T471 HydrophobicContact CG1-CG2 3.59Å; V451-T471 WeakPolarHBondContact O-CA 3.23Å; T471-F490 HydrophobicContact CG2-CE2 4.03Å; T471-F490 HydrophobicContact CG2-CZ 4.25Å; T471-T491 WeakPolarHBondContact O-CA 3.47Å; T471-V492 PolarHBondContact N-O 2.99Å; T471-V492 PolarHBondContact O-N 3.02Å; T471-H495 PolarHBondContact OG1-CE1 3.19Å; T471-H495 VanDerWaalsContact OG1-CE1 3.27Å; T471-E516 WeakPolarHBondContact CB-OE1 3.18Å; T471-E516 VanDerWaalsContact CG2-OE1 3.3Å; T471-E516 WeakPolarHBondContact CG2-OE1 3.29Å; T471-E516 PolarHBondContact OG1-OE1 2.79Å
472	T	97.5	Very high	94.6	Very high	53 Å²	53	61.5 Å²	61.5	33%	0.325	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.3	166.7	-58.1	0	0	0	0	108.6	I450 V451 T491	I450-T472 CarbonylContact C-O 3.57Å; I450-T472 WeakPolarHBondContact CA-O 3.24Å; V451-T472 PolarHBondContact N-O 3.44Å; V451-T472 PolarHBondContact O-N 2.53Å; T472-T491 HydrophobicContact CG2-CG2 4.04Å
473	F	98	Very high	94.8	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122	175	173.2	-110.4	0	0	0	109.4	P448 I449 I450 N475 P489 F490 Y542 F614 E616 F638	P448-F473 HydrophobicContact CB-CE2 3.87Å; P448-F473 HydrophobicContact CB-CZ 4.09Å; I449-F473 WeakPolarHBondContact O-CA 3.48Å; I450-F473 HydrophobicContact CB-CD2 4.11Å; I450-F473 HydrophobicContact CD1-CB 4.48Å; I450-F473 HydrophobicContact CD1-CD2 4.36Å; I450-F473 HydrophobicContact CG1-CB 4.36Å; I450-F473 HydrophobicContact CG1-CD2 4.4Å; F473-N475 HydrophobicContact CE1-CB 3.69Å; F473-N475 HydrophobicContact CZ-CB 3.8Å; F473-P489 CarbonylContact O-C 3.4Å; F473-P489 VanDerWaalsContact O-CA 3.22Å; F473-P489 WeakPolarHBondContact O-CA 3.45Å; F473-P489 WeakPolarHBondContact O-CB 3.29Å; F473-F490 HydrophobicContact CB-CD1 3.53Å; F473-F490 HydrophobicContact CB-CD2 4.41Å; F473-F490 HydrophobicContact CB-CE1 3.31Å; F473-F490 HydrophobicContact CB-CE2 4.23Å; F473-F490 HydrophobicContact CB-CG 4.08Å; F473-F490 HydrophobicContact CB-CZ 3.69Å; F473-F490 AromaticContact CD1-CD1 3.56Å; F473-F490 HydrophobicContact CD1-CD1 3.56Å; F473-F490 AromaticContact CD1-CE1 3.66Å; F473-F490 HydrophobicContact CD1-CE1 3.66Å; F473-F490 AromaticContact CG-CD1 3.89Å; F473-F490 HydrophobicContact CG-CD1 3.89Å; F473-F490 AromaticContact CG-CE1 3.64Å; F473-F490 HydrophobicContact CG-CE1 3.64Å; F473-F490 HydrophobicContact CG-CZ 4.39Å; F473-F490 PolarHBondContact N-O 3.08Å; F473-F490 PolarHBondContact O-N 2.8Å; F473-Y542 WeakPolarHBondContact CE1-OH 3.33Å; F473-F614 HydrophobicContact CE1-CZ 4.46Å; F473-F614 HydrophobicContact CE2-CE2 4.11Å; F473-F614 HydrophobicContact CE2-CZ 4.46Å; F473-F614 AromaticContact CZ-CE2 3.66Å; F473-F614 HydrophobicContact CZ-CE2 3.66Å; F473-F614 AromaticContact CZ-CZ 3.7Å; F473-F614 HydrophobicContact CZ-CZ 3.7Å; F473-E616 WeakPolarHBondContact CE2-OE2 3.35Å; F473-F638 HydrophobicContact CD1-CE1 4.34Å; F473-F638 HydrophobicContact CD2-CD1 4.34Å; F473-F638 HydrophobicContact CD2-CE1 4.22Å; F473-F638 HydrophobicContact CE1-CE1 4.14Å; F473-F638 AromaticContact CE2-CD1 3.81Å; F473-F638 HydrophobicContact CE2-CD1 3.81Å; F473-F638 HydrophobicContact CE2-CE1 4.02Å; F473-F638 HydrophobicContact CG-CE1 4.38Å; F473-F638 AromaticContact CZ-CD1 3.92Å; F473-F638 HydrophobicContact CZ-CD1 3.92Å; F473-F638 AromaticContact CZ-CE1 3.98Å; F473-F638 HydrophobicContact CZ-CE1 3.98Å
474	E	96.8	Very high	95	Very high	56 Å²	56	54.3 Å²	54.3	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.3	174.2	-63.2	-179.1	-174.7	0	0	108.7	K441 P448 I449	K441-E474 VanDerWaalsContact NZ-CD 3.29Å; K441-E474 IonicContact NZ-OE1 3.65Å; K441-E474 PolarHBondContact NZ-OE1 3.06Å; K441-E474 IonicContact NZ-OE2 2.68Å; K441-E474 PolarHBondContact NZ-OE2 2.92Å; P448-E474 CarbonylContact C-O 3.58Å; P448-E474 WeakPolarHBondContact CA-O 3.39Å; I449-E474 HydrophobicContact CB-CB 4.49Å; I449-E474 PolarHBondContact N-O 3.18Å; I449-E474 PolarHBondContact O-N 3.29Å
475	N	96.4	Very high	95.1	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.059	30%	0.296	C	S	.	.			trans	-128.2	91.1	169.4	-176	5.1	0	0	0	109.3	F473 L477 W478 Q487 P489	F473-N475 HydrophobicContact CE1-CB 3.69Å; F473-N475 HydrophobicContact CZ-CB 3.8Å; N475-L477 PolarHBondContact O-N 3.02Å; N475-L477 VanDerWaalsContact O-N 3.17Å; N475-L477 PolarHBondContact OD1-N 3.45Å; N475-W478 HydrophobicContact CB-CB 4.2Å; N475-W478 WeakPolarHBondContact O-CB 3.26Å; N475-W478 PolarHBondContact O-N 2.77Å; N475-W478 VanDerWaalsContact O-N 3.14Å; N475-Q487 WeakPolarHBondContact CB-O 3.34Å; N475-Q487 PolarHBondContact ND2-O 3.31Å; N475-P489 HydrophobicContact CB-CG 4.32Å
476	P	94.4	Very high	95	Very high	67 Å²	67	47.2 Å²	47.2	44%	0.435	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.4	-173.2	-21.8	33.4	0	0	0	114.6	P445	P445-P476 WeakPolarHBondContact O-CB 3.44Å; P445-P476 VanDerWaalsContact O-CG 3.25Å; P445-P476 WeakPolarHBondContact O-CG 3.49Å
477	L	92.4	Very high	95	Very high	107 Å²	107	47.2 Å²	47.2	56%	0.56	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.6	178.6	-67.1	177.7	0	0	0	113.3	Q446 N475 N479	Q446-L477 HydrophobicContact CB-CD1 4.38Å; Q446-L477 HydrophobicContact CB-CD2 3.95Å; Q446-L477 HydrophobicContact CB-CG 4.12Å; Q446-L477 HydrophobicContact CG-CD2 3.94Å; Q446-L477 WeakPolarHBondContact O-CG 3.21Å; N475-L477 PolarHBondContact O-N 3.02Å; N475-L477 VanDerWaalsContact O-N 3.17Å; N475-L477 PolarHBondContact OD1-N 3.45Å; L477-N479 PolarHBondContact O-N 2.73Å
478	W	94.9	Very high	94.9	Very high	16 Å²	16	42.6 Å²	42.6	6%	0.061	25%	0.247	C	C	.	.			trans	-63	133.2	-179.7	174.8	76.1	0	0	0	111.5	N475 K480 G484 W485 A486 A488 P489 L532	N475-W478 HydrophobicContact CB-CB 4.2Å; N475-W478 WeakPolarHBondContact O-CB 3.26Å; N475-W478 PolarHBondContact O-N 2.77Å; N475-W478 VanDerWaalsContact O-N 3.14Å; W478-K480 HydrophobicContact CH2-CB 3.6Å; W478-K480 HydrophobicContact CH2-CD 4.26Å; W478-K480 HydrophobicContact CH2-CG 4.05Å; W478-K480 HydrophobicContact CZ2-CB 3.6Å; W478-K480 HydrophobicContact CZ2-CG 3.89Å; W478-K480 HydrophobicContact CZ3-CB 4.34Å; W478-G484 VanDerWaalsContact CZ2-O 3.25Å; W478-G484 WeakPolarHBondContact CZ2-O 3.31Å; W478-G484 PolarHBondContact NE1-O 2.92Å; W478-W485 HydrophobicContact CH2-CE3 4.4Å; W478-W485 HydrophobicContact CH2-CZ3 4.15Å; W478-W485 HydrophobicContact CZ2-CE3 4.01Å; W478-W485 HydrophobicContact CZ2-CZ3 4.23Å; W478-A486 PolarHBondContact NE1-O 2.72Å; W478-A488 VanDerWaalsContact CD1-CA 3.49Å; W478-A488 HydrophobicContact CD2-CB 4.09Å; W478-A488 HydrophobicContact CG-CB 4.4Å; W478-A488 HydrophobicContact CH2-CB 4.5Å; W478-A488 HydrophobicContact CZ2-CB 3.76Å; W478-P489 HydrophobicContact CB-CG 4.48Å; W478-P489 HydrophobicContact CE3-CG 4.38Å; W478-L532 HydrophobicContact CE3-CD1 4.09Å; W478-L532 HydrophobicContact CE3-CG 4.11Å; W478-L532 HydrophobicContact CZ3-CD1 4.1Å; W478-L532 HydrophobicContact CZ3-CG 3.99Å
479	N	93.7	Very high	95	Very high	82 Å²	82	43 Å²	43	44%	0.439	25%	0.25	S	S	.	.			trans	-134.2	114.4	174.9	178.8	-16.7	0	0	0	109.8	L477 A481 T482 D483	L477-N479 PolarHBondContact O-N 2.73Å; N479-A481 PolarHBondContact O-N 3.21Å; N479-A481 VanDerWaalsContact O-N 3.08Å; N479-A481 WeakPolarHBondContact OD1-CB 3.47Å; N479-A481 PolarHBondContact OD1-N 2.9Å; N479-T482 PolarHBondContact O-N 3.2Å; N479-T482 PolarHBondContact O-OG1 3.23Å; N479-T482 VanDerWaalsContact O-OG1 3.14Å; N479-D483 PolarHBondContact N-OD2 3.06Å; N479-D483 WeakPolarHBondContact O-CB 3.4Å; N479-D483 PolarHBondContact O-N 3.36Å
480	K	93.1	Very high	95	Very high	70 Å²	70	39.7 Å²	39.7	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-54.4	-33.2	-178.6	-165	179.7	179.3	174.3	0	114.2	W478 T482 G484 W485 E535	W478-K480 HydrophobicContact CH2-CB 3.6Å; W478-K480 HydrophobicContact CH2-CD 4.26Å; W478-K480 HydrophobicContact CH2-CG 4.05Å; W478-K480 HydrophobicContact CZ2-CB 3.6Å; W478-K480 HydrophobicContact CZ2-CG 3.89Å; W478-K480 HydrophobicContact CZ3-CB 4.34Å; K480-T482 VanDerWaalsContact C-N 3.32Å; K480-T482 PolarHBondContact O-N 3.36Å; K480-G484 VanDerWaalsContact O-CA 3.26Å; K480-G484 WeakPolarHBondContact O-CA 3.45Å; K480-G484 PolarHBondContact O-N 2.64Å; K480-W485 HydrophobicContact CD-CH2 4.37Å; K480-W485 VanDerWaalsContact CE-CZ2 3.47Å; K480-E535 VanDerWaalsContact CD-CD 3.49Å; K480-E535 HydrophobicContact CD-CG 4.19Å; K480-E535 WeakPolarHBondContact CD-OE1 3.46Å; K480-E535 WeakPolarHBondContact CE-OE1 3.36Å; K480-E535 IonicContact NZ-OE1 3.88Å; K480-E535 PolarHBondContact NZ-OE1 3.19Å
481	A	93.1	Very high	95.1	Very high	93 Å²	93	42.4 Å²	42.4	77%	0.769	25%	0.247	S	C	*	.	H	α-helix	trans	-68.4	-32	-178.8	0	0	0	0	0	112.6	N479	N479-A481 PolarHBondContact O-N 3.21Å; N479-A481 VanDerWaalsContact O-N 3.08Å; N479-A481 WeakPolarHBondContact OD1-CB 3.47Å; N479-A481 PolarHBondContact OD1-N 2.9Å
482	T	92.6	Very high	95	Very high	93 Å²	93	42.8 Å²	42.8	57%	0.571	25%	0.249	S	C	*	.	H	α-helix	trans	-98.2	-37	-179.8	55.3	0	0	0	0	112.4	N479 K480	N479-T482 PolarHBondContact O-N 3.2Å; N479-T482 PolarHBondContact O-OG1 3.23Å; N479-T482 VanDerWaalsContact O-OG1 3.14Å; K480-T482 VanDerWaalsContact C-N 3.32Å; K480-T482 PolarHBondContact O-N 3.36Å
483	D	92.9	Very high	95	Very high	23 Å²	23	42.4 Å²	42.4	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-103	-13.7	-167.4	-48.6	-24.3	0	0	0	111.9	N479 A486 I546	N479-D483 PolarHBondContact N-OD2 3.06Å; N479-D483 WeakPolarHBondContact O-CB 3.4Å; N479-D483 PolarHBondContact O-N 3.36Å; D483-A486 WeakPolarHBondContact O-CB 3.34Å; D483-A486 PolarHBondContact O-N 2.87Å; D483-I546 HydrophobicContact CB-CD1 4.49Å; D483-I546 HydrophobicContact CB-CG1 4.41Å
484	G	93.1	Very high	95	Very high	31 Å²	31	45.7 Å²	45.7	32%	0.32	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	-136.9	-167.7	0	0	0	0	0	110.4	W478 K480	W478-G484 VanDerWaalsContact CZ2-O 3.25Å; W478-G484 WeakPolarHBondContact CZ2-O 3.31Å; W478-G484 PolarHBondContact NE1-O 2.92Å; K480-G484 VanDerWaalsContact O-CA 3.26Å; K480-G484 WeakPolarHBondContact O-CA 3.45Å; K480-G484 PolarHBondContact O-N 2.64Å
485	W	93.7	Very high	95	Very high	64 Å²	64	43.2 Å²	43.2	24%	0.242	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.1	174.2	-65.5	123	0	0	0	114.1	W478 K480 A488 V530 E537 H539	W478-W485 HydrophobicContact CH2-CE3 4.4Å; W478-W485 HydrophobicContact CH2-CZ3 4.15Å; W478-W485 HydrophobicContact CZ2-CE3 4.01Å; W478-W485 HydrophobicContact CZ2-CZ3 4.23Å; K480-W485 HydrophobicContact CD-CH2 4.37Å; K480-W485 VanDerWaalsContact CE-CZ2 3.47Å; W485-A488 HydrophobicContact CE3-CB 4.41Å; W485-A488 WeakPolarHBondContact O-CB 3.14Å; W485-V530 HydrophobicContact CD2-CG2 4.26Å; W485-V530 HydrophobicContact CE3-CB 4.45Å; W485-V530 HydrophobicContact CE3-CG2 3.74Å; W485-V530 HydrophobicContact CZ3-CG2 4.02Å; W485-E537 HydrophobicContact CH2-CB 3.86Å; W485-E537 HydrophobicContact CZ2-CB 3.72Å; W485-E537 VanDerWaalsContact CZ2-OE2 3.25Å; W485-E537 WeakPolarHBondContact CZ2-OE2 3.28Å; W485-E537 PolarHBondContact NE1-OE2 3.05Å; W485-H539 AromaticContact CD1-CE1 3.71Å; W485-H539 AromaticContact CD1-NE2 3.95Å; W485-H539 AromaticContact CG-CE1 3.63Å
486	A	93.6	Very high	95.1	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.041	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	141.3	176.2	0	0	0	0	0	110	W478 D483 A488 S543 T545 I546	W478-A486 PolarHBondContact NE1-O 2.72Å; D483-A486 WeakPolarHBondContact O-CB 3.34Å; D483-A486 PolarHBondContact O-N 2.87Å; A486-A488 PolarHBondContact O-N 2.96Å; A486-S543 CarbonylContact C-O 3.42Å; A486-S543 VanDerWaalsContact CA-O 3.26Å; A486-S543 WeakPolarHBondContact CA-O 3.41Å; A486-T545 WeakPolarHBondContact CB-O 3.35Å; A486-I546 HydrophobicContact CB-CG1 4.28Å
487	Q	94.5	Very high	95.2	Very high	37 Å²	37	40.5 Å²	40.5	17%	0.173	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	11.2	177.9	-46.1	179.4	-13.4	0	0	114.1	N475 Y542 S543 I544 F614	N475-Q487 WeakPolarHBondContact CB-O 3.34Å; N475-Q487 PolarHBondContact ND2-O 3.31Å; Q487-Y542 WeakPolarHBondContact CA-OH 3.36Å; Q487-S543 PolarHBondContact N-O 3.43Å; Q487-I544 HydrophobicContact CG-CB 4.22Å; Q487-I544 WeakPolarHBondContact CG-O 3.38Å; Q487-I544 PolarHBondContact NE2-O 2.91Å; Q487-F614 HydrophobicContact CB-CE1 4.31Å; Q487-F614 HydrophobicContact CG-CE1 3.92Å
488	A	95.6	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.23	C	C	.	.			trans	-60.4	143.4	179.8	0	0	0	0	0	110.6	W478 W485 A486 V530 Y542	W478-A488 VanDerWaalsContact CD1-CA 3.49Å; W478-A488 HydrophobicContact CD2-CB 4.09Å; W478-A488 HydrophobicContact CG-CB 4.4Å; W478-A488 HydrophobicContact CH2-CB 4.5Å; W478-A488 HydrophobicContact CZ2-CB 3.76Å; W485-A488 HydrophobicContact CE3-CB 4.41Å; W485-A488 WeakPolarHBondContact O-CB 3.14Å; A486-A488 PolarHBondContact O-N 2.96Å; A488-V530 HydrophobicContact CB-CB 4.31Å; A488-Y542 PolarHBondContact N-OH 3.25Å; A488-Y542 WeakPolarHBondContact O-CE2 3.06Å; A488-Y542 PolarHBondContact O-OH 3.43Å
489	P	97.2	Very high	95.3	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.065	23%	0.228	C	C	.	.			trans	-50.7	144.9	165	-23	33.2	0	0	0	109.7	F473 N475 W478 V530 G531 L532	F473-P489 CarbonylContact O-C 3.4Å; F473-P489 VanDerWaalsContact O-CA 3.22Å; F473-P489 WeakPolarHBondContact O-CA 3.45Å; F473-P489 WeakPolarHBondContact O-CB 3.29Å; N475-P489 HydrophobicContact CB-CG 4.32Å; W478-P489 HydrophobicContact CB-CG 4.48Å; W478-P489 HydrophobicContact CE3-CG 4.38Å; P489-V530 CarbonylContact O-C 3.6Å; P489-V530 WeakPolarHBondContact O-CA 3.25Å; P489-G531 PolarHBondContact O-N 3.15Å; P489-L532 HydrophobicContact CB-CD2 4.3Å; P489-L532 HydrophobicContact CG-CD2 3.74Å; P489-L532 HydrophobicContact CG-CG 4.22Å
490	F	97.4	Very high	95.1	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.5	178.2	73.3	-96.7	0	0	0	113.3	T471 F473 V492 F518 I528 T529 V530 Y542 F638	T471-F490 HydrophobicContact CG2-CE2 4.03Å; T471-F490 HydrophobicContact CG2-CZ 4.25Å; F473-F490 HydrophobicContact CB-CD1 3.53Å; F473-F490 HydrophobicContact CB-CD2 4.41Å; F473-F490 HydrophobicContact CB-CE1 3.31Å; F473-F490 HydrophobicContact CB-CE2 4.23Å; F473-F490 HydrophobicContact CB-CG 4.08Å; F473-F490 HydrophobicContact CB-CZ 3.69Å; F473-F490 AromaticContact CD1-CD1 3.56Å; F473-F490 HydrophobicContact CD1-CD1 3.56Å; F473-F490 AromaticContact CD1-CE1 3.66Å; F473-F490 HydrophobicContact CD1-CE1 3.66Å; F473-F490 AromaticContact CG-CD1 3.89Å; F473-F490 HydrophobicContact CG-CD1 3.89Å; F473-F490 AromaticContact CG-CE1 3.64Å; F473-F490 HydrophobicContact CG-CE1 3.64Å; F473-F490 HydrophobicContact CG-CZ 4.39Å; F473-F490 PolarHBondContact N-O 3.08Å; F473-F490 PolarHBondContact O-N 2.8Å; F490-V492 HydrophobicContact CD2-CB 4.47Å; F490-V492 HydrophobicContact CD2-CG1 4.2Å; F490-V492 HydrophobicContact CE2-CG1 3.89Å; F490-F518 HydrophobicContact CE2-CE1 4.16Å; F490-F518 HydrophobicContact CE2-CZ 4.42Å; F490-F518 HydrophobicContact CZ-CE1 4.39Å; F490-F518 HydrophobicContact CZ-CZ 4.24Å; F490-I528 HydrophobicContact CB-CG2 3.76Å; F490-I528 HydrophobicContact CD2-CG2 3.81Å; F490-I528 HydrophobicContact CG-CG2 3.93Å; F490-T529 CarbonylContact C-O 3.55Å; F490-T529 VanDerWaalsContact CA-O 3.26Å; F490-T529 WeakPolarHBondContact CA-O 3.42Å; F490-V530 HydrophobicContact CB-CG1 4.1Å; F490-Y542 HydrophobicContact CB-CE2 4.24Å; F490-Y542 AromaticContact CD1-CD2 3.91Å; F490-Y542 HydrophobicContact CD1-CD2 3.91Å; F490-Y542 HydrophobicContact CD1-CE1 4.18Å; F490-Y542 AromaticContact CD1-CE2 3.39Å; F490-Y542 HydrophobicContact CD1-CE2 3.39Å; F490-Y542 HydrophobicContact CD1-CG 4.49Å; F490-Y542 AromaticContact CD1-CZ 3.54Å; F490-Y542 HydrophobicContact CE1-CD1 4.41Å; F490-Y542 HydrophobicContact CE1-CD2 4.43Å; F490-Y542 HydrophobicContact CE1-CE1 4.04Å; F490-Y542 HydrophobicContact CE1-CE2 4.07Å; F490-Y542 AromaticContact CE1-CZ 3.85Å; F490-Y542 HydrophobicContact CG-CD2 4.41Å; F490-Y542 HydrophobicContact CG-CE2 4.13Å; F490-F638 HydrophobicContact CE1-CE1 4.15Å; F490-F638 HydrophobicContact CE1-CZ 4.21Å
491	T	97.6	Very high	94.6	Very high	66 Å²	66	30.4 Å²	30.4	41%	0.405	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.4	165.9	55.5	0	0	0	0	109.2	T471 T472 T529	T471-T491 WeakPolarHBondContact O-CA 3.47Å; T472-T491 HydrophobicContact CG2-CG2 4.04Å; T491-T529 PolarHBondContact N-O 2.83Å; T491-T529 PolarHBondContact O-N 2.89Å
492	V	97.4	Very high	93.9	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.055	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.9	176.1	60	0	0	0	0	108.4	G470 T471 F490 F518 V526 I528	G470-V492 CarbonylContact C-O 3.51Å; G470-V492 WeakPolarHBondContact CA-O 3.24Å; T471-V492 PolarHBondContact N-O 2.99Å; T471-V492 PolarHBondContact O-N 3.02Å; F490-V492 HydrophobicContact CD2-CB 4.47Å; F490-V492 HydrophobicContact CD2-CG1 4.2Å; F490-V492 HydrophobicContact CE2-CG1 3.89Å; V492-F518 HydrophobicContact CG1-CE1 4.32Å; V492-F518 HydrophobicContact CG2-CD1 4.4Å; V492-V526 HydrophobicContact CG2-CB 4.48Å; V492-V526 HydrophobicContact CG2-CG2 3.54Å; V492-I528 HydrophobicContact CG2-CG1 4.38Å
493	G	96.8	Very high	93.1	Very high	45 Å²	45	29.6 Å²	29.6	46%	0.464	20%	0.197	S	C	.	.			trans	-74	-155.5	174.8	0	0	0	0	0	112.2	N469 G470 H495	N469-G493 CarbonylContact O-C 3.39Å; G470-G493 WeakPolarHBondContact CA-O 3.39Å; G493-H495 PolarHBondContact O-N 2.85Å; G493-H495 PolarHBondContact O-ND1 2.85Å
494	A	97.2	Very high	92.4	Very high	71 Å²	71	28.5 Å²	28.5	59%	0.587	19%	0.191	S	C	*	.	S	Bend	trans	-59.3	130.5	-178.7	0	0	0	0	0	112.2	I468 N469	I468-A494 VanDerWaalsContact O-CA 3.24Å; I468-A494 WeakPolarHBondContact O-CA 3.43Å; N469-A494 PolarHBondContact O-N 2.82Å
495	H	98.1	Very high	91.9	Very high	4 Å²	4	28 Å²	28	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-164.1	-179.9	65.3	-78	0	0	0	109.7	I468 T471 G493 E516 I517 E519 V526	I468-H495 WeakPolarHBondContact CG2-CE1 3.02Å; I468-H495 VanDerWaalsContact CG2-NE2 3.28Å; I468-H495 WeakPolarHBondContact CG2-NE2 3.3Å; I468-H495 VanDerWaalsContact CG2-O 3.25Å; I468-H495 WeakPolarHBondContact CG2-O 3.47Å; I468-H495 PolarHBondContact N-O 2.8Å; I468-H495 PolarHBondContact O-N 3.15Å; I468-H495 VanDerWaalsContact O-N 3.15Å; T471-H495 PolarHBondContact OG1-CE1 3.19Å; T471-H495 VanDerWaalsContact OG1-CE1 3.27Å; G493-H495 PolarHBondContact O-N 2.85Å; G493-H495 PolarHBondContact O-ND1 2.85Å; H495-E516 IonicContact CE1-OE1 3.58Å; H495-E516 PolarHBondContact CE1-OE1 3.07Å; H495-E516 VanDerWaalsContact NE2-CG 3.3Å; H495-E516 WeakPolarHBondContact NE2-CG 3.35Å; H495-E516 IonicContact NE2-OE1 2.56Å; H495-E516 PolarHBondContact NE2-OE1 3.01Å; H495-I517 PolarHBondContact CD2-O 2.7Å; H495-I517 VanDerWaalsContact CD2-O 3.27Å; H495-E519 CarbonylContact C-O 3.52Å; H495-E519 WeakPolarHBondContact CA-O 3.1Å; H495-V526 HydrophobicContact CB-CG1 4.13Å; H495-V526 HydrophobicContact CB-CG2 4.11Å
496	M	97.8	Very high	91.1	Very high	22 Å²	22	28.3 Å²	28.3	11%	0.108	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.4	-175.1	-61.4	-49.3	-66.3	0	0	113	N465 I517 E519	N465-M496 VanDerWaalsContact C-CE 3.43Å; N465-M496 HydrophobicContact CB-CB 4.15Å; N465-M496 HydrophobicContact CB-CE 3.51Å; N465-M496 WeakPolarHBondContact O-CE 3.22Å; M496-I517 HydrophobicContact CB-CB 4.1Å; M496-I517 HydrophobicContact CB-CG2 4.46Å; M496-I517 PolarHBondContact N-O 2.83Å; M496-I517 WeakPolarHBondContact O-CA 3.22Å; M496-I517 WeakPolarHBondContact O-CB 3.42Å; M496-I517 PolarHBondContact O-N 3.42Å; M496-I517 VanDerWaalsContact O-O 3.1Å; M496-E519 WeakPolarHBondContact CG-O 3.16Å; M496-E519 PolarHBondContact N-O 3.12Å; M496-E519 VanDerWaalsContact N-O 3.15Å
497	F	97.1	Very high	90.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148.8	-179	-152	-115.3	0	0	0	110.1	W452 I454 P458 N465 V466 I468 F514 A515 E516	W452-F497 AromaticContact CD1-CE2 3.69Å; W452-F497 AromaticContact CD1-CZ 3.83Å; W452-F497 HydrophobicContact CD2-CZ 4.11Å; W452-F497 AromaticContact CE2-CZ 3.83Å; W452-F497 HydrophobicContact CG-CE2 4.38Å; W452-F497 HydrophobicContact CG-CZ 4.1Å; W452-F497 HydrophobicContact CZ2-CZ 4.41Å; W452-F497 AromaticContact NE1-CE2 3.54Å; W452-F497 AromaticContact NE1-CZ 3.67Å; I454-F497 HydrophobicContact CD1-CB 4.07Å; I454-F497 HydrophobicContact CD1-CD1 3.6Å; I454-F497 HydrophobicContact CD1-CE1 4.34Å; I454-F497 HydrophobicContact CD1-CG 4.11Å; P458-F497 HydrophobicContact CG-CD1 3.87Å; P458-F497 HydrophobicContact CG-CE1 4.48Å; N465-F497 CarbonylContact C-O 3.53Å; N465-F497 WeakPolarHBondContact CA-O 3.39Å; V466-F497 HydrophobicContact CG2-CB 4.21Å; V466-F497 WeakPolarHBondContact CG2-O 3.43Å; V466-F497 PolarHBondContact N-O 3.45Å; V466-F497 PolarHBondContact O-N 2.81Å; I468-F497 HydrophobicContact CB-CB 4.13Å; I468-F497 HydrophobicContact CD1-CD2 4.24Å; I468-F497 HydrophobicContact CD1-CG 4.47Å; I468-F497 HydrophobicContact CG2-CB 3.91Å; F497-F514 HydrophobicContact CD1-CB 4.41Å; F497-F514 HydrophobicContact CD1-CD1 4.3Å; F497-F514 HydrophobicContact CD1-CG 4.47Å; F497-F514 HydrophobicContact CE1-CB 3.48Å; F497-F514 VanDerWaalsContact CE1-CB 3.48Å; F497-F514 AromaticContact CE1-CD1 3.59Å; F497-F514 HydrophobicContact CE1-CD1 3.59Å; F497-F514 HydrophobicContact CE1-CD2 4.09Å; F497-F514 HydrophobicContact CE1-CE1 4.35Å; F497-F514 AromaticContact CE1-CG 3.44Å; F497-F514 HydrophobicContact CE1-CG 3.44Å; F497-F514 VanDerWaalsContact CE1-CG 3.44Å; F497-F514 HydrophobicContact CE2-CB 4.14Å; F497-F514 HydrophobicContact CZ-CB 3.32Å; F497-F514 HydrophobicContact CZ-CD1 4.3Å; F497-F514 HydrophobicContact CZ-CD2 4.16Å; F497-F514 AromaticContact CZ-CG 3.68Å; F497-F514 HydrophobicContact CZ-CG 3.68Å; F497-A515 WeakPolarHBondContact CA-O 3.46Å; F497-E516 HydrophobicContact CD2-CB 4.02Å; F497-E516 HydrophobicContact CD2-CG 4.05Å; F497-E516 HydrophobicContact CE2-CB 3.81Å; F497-E516 HydrophobicContact CE2-CG 4.05Å
498	N	95.9	Very high	89.7	Confident	12 Å²	12	31.2 Å²	31.2	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	166.1	174	-154.7	-11.7	0	0	0	111.6	K461 N463 N465 F514 A515 I517	K461-N498 PolarHBondContact O-ND2 2.89Å; N463-N498 PolarHBondContact O-ND2 2.82Å; N465-N498 PolarHBondContact OD1-ND2 3.19Å; N498-F514 CarbonylContact O-C 3.6Å; N498-F514 VanDerWaalsContact O-CA 3.27Å; N498-F514 WeakPolarHBondContact O-CA 3.49Å; N498-A515 PolarHBondContact N-O 2.95Å; N498-A515 PolarHBondContact O-N 2.84Å; N498-I517 HydrophobicContact CB-CD1 4.48Å
499	A	92.6	Very high	88.9	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.033	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.4	165.4	0	0	0	0	0	109.8	P458 K461 N513	P458-A499 HydrophobicContact CB-CB 4.35Å; P458-A499 HydrophobicContact CG-CB 4.5Å; K461-A499 VanDerWaalsContact CA-O 3.26Å; K461-A499 WeakPolarHBondContact CA-O 3.27Å; K461-A499 HydrophobicContact CB-CB 4.45Å; K461-A499 WeakPolarHBondContact CB-O 3.36Å; A499-N513 CarbonylContact C-O 3.41Å; A499-N513 WeakPolarHBondContact CA-O 3.3Å
500	D	90.2	Very high	87.9	Confident	34 Å²	34	35.3 Å²	35.3	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.7	-179.2	-179.9	52.8	0	0	0	113.6	S504 N513 A515 V556 K558	D500-S504 WeakPolarHBondContact O-CB 3.46Å; D500-S504 PolarHBondContact O-OG 3.49Å; D500-N513 HydrophobicContact CB-CB 4.13Å; D500-N513 PolarHBondContact N-O 2.88Å; D500-N513 WeakPolarHBondContact O-CB 3.25Å; D500-N513 PolarHBondContact O-ND2 2.77Å; D500-A515 HydrophobicContact CB-CB 4.18Å; D500-V556 HydrophobicContact CB-CG1 4.25Å; D500-V556 VanDerWaalsContact OD2-CG1 3.31Å; D500-V556 WeakPolarHBondContact OD2-CG1 3.41Å; D500-K558 IonicContact OD2-NZ 2.63Å; D500-K558 PolarHBondContact OD2-NZ 3.09Å
501	G	83.5	Confident	87.2	Confident	13 Å²	13	38.6 Å²	38.6	13%	0.134	25%	0.252	C	S	.	.			trans	73.8	124.6	176.7	0	0	0	0	0	114.4	S503 S504	G501-S503 PolarHBondContact O-N 3.15Å; G501-S504 PolarHBondContact O-N 3.23Å; G501-S504 PolarHBondContact O-OG 2.96Å
502	T	77.3	Confident	86.7	Confident	88 Å²	88	35.5 Å²	35.5	54%	0.54	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.8	-35.3	-176.2	-35.4	0	0	0	0	111.8	K461 S504 N505	K461-T502 VanDerWaalsContact CE-OG1 3.3Å; K461-T502 WeakPolarHBondContact CE-OG1 3.34Å; K461-T502 PolarHBondContact NZ-OG1 2.85Å; T502-S504 PolarHBondContact O-N 3.46Å; T502-N505 WeakPolarHBondContact O-CB 3.32Å; T502-N505 PolarHBondContact O-N 2.84Å
503	S	76.4	Confident	86.4	Confident	80 Å²	80	35.1 Å²	35.1	56%	0.559	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-61.1	-29.8	177.6	48.3	0	0	0	0	112.4	G501 N505	G501-S503 PolarHBondContact O-N 3.15Å; S503-N505 VanDerWaalsContact C-N 3.33Å
504	S	78.8	Confident	86.3	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-80.6	-13	-179.9	93.2	0	0	0	0	114.1	D500 G501 T502 G506 Y507 K512 N513	D500-S504 WeakPolarHBondContact O-CB 3.46Å; D500-S504 PolarHBondContact O-OG 3.49Å; G501-S504 PolarHBondContact O-N 3.23Å; G501-S504 PolarHBondContact O-OG 2.96Å; T502-S504 PolarHBondContact O-N 3.46Å; S504-G506 PolarHBondContact O-N 2.92Å; S504-Y507 VanDerWaalsContact CA-CD2 3.41Å; S504-Y507 PolarHBondContact O-N 2.63Å; S504-K512 PolarHBondContact O-NZ 3.17Å; S504-N513 WeakPolarHBondContact CB-ND2 3.45Å
505	N	81.5	Confident	86.2	Confident	21 Å²	21	29.8 Å²	29.8	11%	0.112	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59.5	-31.4	175.7	-77.1	-14.8	0	0	0	111.7	N460 K461 T502 S503 Y507 K512	N460-N505 WeakPolarHBondContact CA-OD1 3.4Å; N460-N505 PolarHBondContact OD1-ND2 3.17Å; N460-N505 PolarHBondContact OD1-OD1 2.98Å; K461-N505 PolarHBondContact N-OD1 3.39Å; T502-N505 WeakPolarHBondContact O-CB 3.32Å; T502-N505 PolarHBondContact O-N 2.84Å; S503-N505 VanDerWaalsContact C-N 3.33Å; N505-Y507 VanDerWaalsContact C-N 3.32Å; N505-K512 PolarHBondContact O-NZ 3.27Å
506	G	77.7	Confident	86.2	Confident	71 Å²	71	29.6 Å²	29.6	73%	0.732	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-74.7	-15.2	177.9	0	0	0	0	0	114.8	S504	S504-G506 PolarHBondContact O-N 2.92Å
507	Y	78.8	Confident	86.1	Confident	72 Å²	72	29.2 Å²	29.2	28%	0.282	18%	0.179	S	C	.	.	S	Bend	trans	-80.9	148.5	177.9	-54	-40.6	0	0	0	111.1	S504 N505 Y511 K512 A562	S504-Y507 VanDerWaalsContact CA-CD2 3.41Å; S504-Y507 PolarHBondContact O-N 2.63Å; N505-Y507 VanDerWaalsContact C-N 3.32Å; Y507-Y511 WeakPolarHBondContact CB-O 3.49Å; Y507-K512 WeakPolarHBondContact O-CE 3.4Å; Y507-K512 PolarHBondContact O-NZ 2.85Å; Y507-A562 HydrophobicContact CD1-CB 4.4Å; Y507-A562 HydrophobicContact CD2-CB 3.52Å; Y507-A562 HydrophobicContact CE1-CB 4.05Å; Y507-A562 HydrophobicContact CE2-CB 3.1Å; Y507-A562 WeakPolarHBondContact CE2-O 3.12Å; Y507-A562 HydrophobicContact CG-CB 4.19Å; Y507-A562 PolarHBondContact OH-O 2.88Å
508	P	78.3	Confident	86.2	Confident	31 Å²	31	29.2 Å²	29.2	20%	0.201	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.9	163.9	175.9	36.3	-41.2	0	0	0	110.7	L320 Y511	L320-P508 VanDerWaalsContact O-CB 3.27Å; L320-P508 WeakPolarHBondContact O-CB 3.44Å; L320-P508 WeakPolarHBondContact O-CD 3.04Å; L320-P508 WeakPolarHBondContact O-CG 3.35Å; P508-Y511 HydrophobicContact CG-CD2 3.77Å; P508-Y511 CarbonylContact O-C 3.33Å; P508-Y511 WeakPolarHBondContact O-CA 3.39Å; P508-Y511 PolarHBondContact O-N 3.43Å
509	L	78.7	Confident	86.2	Confident	71 Å²	71	30.9 Å²	30.9	37%	0.372	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	145.1	162.8	-74.2	173.1	0	0	0	109.9	L457 Y459 K512 F514	L457-L509 HydrophobicContact CB-CD1 4.15Å; L457-L509 HydrophobicContact CB-CD2 3.72Å; L457-L509 HydrophobicContact CD1-CD2 4.16Å; Y459-L509 HydrophobicContact CD2-CD1 4.13Å; Y459-L509 HydrophobicContact CD2-CG 4.11Å; L509-K512 HydrophobicContact CD2-CD 3.73Å; L509-K512 HydrophobicContact CD2-CG 4.23Å; L509-K512 HydrophobicContact CG-CD 4.31Å; L509-F514 HydrophobicContact CD2-CZ 4.45Å
510	P	77.2	Confident	86.4	Confident	25 Å²	25	32.9 Å²	32.9	16%	0.162	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	8	0.3	36.4	-36	0	0	0	114.7	L457 K512 L633 Y636	L457-P510 HydrophobicContact CD1-CB 4.04Å; P510-K512 PolarHBondContact O-N 2.86Å; P510-L633 HydrophobicContact CB-CB 4.2Å; P510-L633 HydrophobicContact CB-CD2 3.74Å; P510-L633 HydrophobicContact CB-CG 4.43Å; P510-L633 HydrophobicContact CG-CD2 4.27Å; P510-Y636 PolarHBondContact O-OH 2.78Å
511	Y	83.3	Confident	86.6	Confident	72 Å²	72	34.2 Å²	34.2	28%	0.282	22%	0.221	S	C	.	.	S	Bend	trans	-78.3	48.3	-172.4	-51.6	-47.9	0	0	0	114.9	P431 Y507 P508 F561	P431-Y511 WeakPolarHBondContact CG-OH 3.48Å; Y507-Y511 WeakPolarHBondContact CB-O 3.49Å; P508-Y511 HydrophobicContact CG-CD2 3.77Å; P508-Y511 CarbonylContact O-C 3.33Å; P508-Y511 WeakPolarHBondContact O-CA 3.39Å; P508-Y511 PolarHBondContact O-N 3.43Å; Y511-F561 VanDerWaalsContact CB-CZ 3.47Å; Y511-F561 AromaticContact CD1-CE1 3.7Å; Y511-F561 HydrophobicContact CD1-CE1 3.7Å; Y511-F561 AromaticContact CD1-CZ 3.72Å; Y511-F561 HydrophobicContact CD1-CZ 3.72Å; Y511-F561 HydrophobicContact CD2-CZ 4.01Å; Y511-F561 HydrophobicContact CE1-CE1 4.33Å; Y511-F561 HydrophobicContact CE1-CZ 4.48Å; Y511-F561 AromaticContact CG-CE1 3.96Å; Y511-F561 HydrophobicContact CG-CE1 3.96Å; Y511-F561 AromaticContact CG-CZ 3.46Å; Y511-F561 HydrophobicContact CG-CZ 3.46Å; Y511-F561 VanDerWaalsContact CG-CZ 3.46Å
512	K	87	Confident	87	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-109.9	163.3	177.5	-68	-174.7	177.8	-80.4	0	110.6	Y459 S504 N505 Y507 L509 P510 F514 Y636	Y459-K512 VanDerWaalsContact O-CD 3.3Å; Y459-K512 WeakPolarHBondContact O-CD 3.48Å; Y459-K512 WeakPolarHBondContact O-CE 3.37Å; Y459-K512 PolarHBondContact O-NZ 2.95Å; S504-K512 PolarHBondContact O-NZ 3.17Å; N505-K512 PolarHBondContact O-NZ 3.27Å; Y507-K512 WeakPolarHBondContact O-CE 3.4Å; Y507-K512 PolarHBondContact O-NZ 2.85Å; L509-K512 HydrophobicContact CD2-CD 3.73Å; L509-K512 HydrophobicContact CD2-CG 4.23Å; L509-K512 HydrophobicContact CG-CD 4.31Å; P510-K512 PolarHBondContact O-N 2.86Å; K512-F514 HydrophobicContact CB-CE1 4Å; K512-F514 HydrophobicContact CB-CZ 4.02Å; K512-Y636 WeakPolarHBondContact O-CE1 3.36Å
513	N	91.3	Very high	87.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	150.4	164.2	-50.4	-44	0	0	0	109	A499 D500 S504 H557 K558 V559	A499-N513 CarbonylContact C-O 3.41Å; A499-N513 WeakPolarHBondContact CA-O 3.3Å; D500-N513 HydrophobicContact CB-CB 4.13Å; D500-N513 PolarHBondContact N-O 2.88Å; D500-N513 WeakPolarHBondContact O-CB 3.25Å; D500-N513 PolarHBondContact O-ND2 2.77Å; S504-N513 WeakPolarHBondContact CB-ND2 3.45Å; N513-H557 CarbonylContact C-O 3.43Å; N513-H557 VanDerWaalsContact CA-O 3.22Å; N513-H557 WeakPolarHBondContact CA-O 3.48Å; N513-K558 HydrophobicContact CB-CD 3.82Å; N513-K558 VanDerWaalsContact CG-CD 3.4Å; N513-K558 VanDerWaalsContact OD1-CA 3.25Å; N513-K558 WeakPolarHBondContact OD1-CA 3.48Å; N513-V559 PolarHBondContact OD1-N 3.49Å
514	F	94	Very high	88.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	148.1	178.2	-57	-63.9	0	0	0	111.8	L457 P458 F497 N498 L509 K512 V556 H557 Y636	L457-F514 HydrophobicContact CD2-CE1 4.29Å; L457-F514 HydrophobicContact CD2-CZ 4.01Å; P458-F514 HydrophobicContact CG-CD1 3.98Å; P458-F514 HydrophobicContact CG-CE1 4.16Å; F497-F514 HydrophobicContact CD1-CB 4.41Å; F497-F514 HydrophobicContact CD1-CD1 4.3Å; F497-F514 HydrophobicContact CD1-CG 4.47Å; F497-F514 HydrophobicContact CE1-CB 3.48Å; F497-F514 VanDerWaalsContact CE1-CB 3.48Å; F497-F514 AromaticContact CE1-CD1 3.59Å; F497-F514 HydrophobicContact CE1-CD1 3.59Å; F497-F514 HydrophobicContact CE1-CD2 4.09Å; F497-F514 HydrophobicContact CE1-CE1 4.35Å; F497-F514 AromaticContact CE1-CG 3.44Å; F497-F514 HydrophobicContact CE1-CG 3.44Å; F497-F514 VanDerWaalsContact CE1-CG 3.44Å; F497-F514 HydrophobicContact CE2-CB 4.14Å; F497-F514 HydrophobicContact CZ-CB 3.32Å; F497-F514 HydrophobicContact CZ-CD1 4.3Å; F497-F514 HydrophobicContact CZ-CD2 4.16Å; F497-F514 AromaticContact CZ-CG 3.68Å; F497-F514 HydrophobicContact CZ-CG 3.68Å; N498-F514 CarbonylContact O-C 3.6Å; N498-F514 VanDerWaalsContact O-CA 3.27Å; N498-F514 WeakPolarHBondContact O-CA 3.49Å; L509-F514 HydrophobicContact CD2-CZ 4.45Å; K512-F514 HydrophobicContact CB-CE1 4Å; K512-F514 HydrophobicContact CB-CZ 4.02Å; F514-V556 CarbonylContact O-C 3.49Å; F514-V556 WeakPolarHBondContact O-CA 3.28Å; F514-H557 HydrophobicContact CB-CB 4.42Å; F514-H557 PolarHBondContact N-O 2.86Å; F514-H557 PolarHBondContact O-N 3.31Å; F514-Y636 AromaticContact CD2-CE1 3.83Å; F514-Y636 HydrophobicContact CD2-CE1 3.83Å; F514-Y636 AromaticContact CE2-CE1 3.82Å; F514-Y636 HydrophobicContact CE2-CE1 3.82Å; F514-Y636 AromaticContact CE2-CZ 3.95Å; F514-Y636 WeakPolarHBondContact CE2-OH 3.49Å
515	A	95.3	Very high	89.5	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.2	166.5	0	0	0	0	0	108.4	F497 N498 D500 E554 M555	F497-A515 WeakPolarHBondContact CA-O 3.46Å; N498-A515 PolarHBondContact N-O 2.95Å; N498-A515 PolarHBondContact O-N 2.84Å; D500-A515 HydrophobicContact CB-CB 4.18Å; A515-E554 HydrophobicContact CB-CG 4.3Å; A515-M555 CarbonylContact C-O 3.5Å; A515-M555 WeakPolarHBondContact CA-O 3.32Å
516	E	96.9	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.5	173.4	-168.1	160.7	169.8	0	0	108.9	W452 T471 H495 F497 F518 E554 M555 H557	W452-E516 PolarHBondContact NE1-OE2 2.74Å; T471-E516 WeakPolarHBondContact CB-OE1 3.18Å; T471-E516 VanDerWaalsContact CG2-OE1 3.3Å; T471-E516 WeakPolarHBondContact CG2-OE1 3.29Å; T471-E516 PolarHBondContact OG1-OE1 2.79Å; H495-E516 IonicContact CE1-OE1 3.58Å; H495-E516 PolarHBondContact CE1-OE1 3.07Å; H495-E516 VanDerWaalsContact NE2-CG 3.3Å; H495-E516 WeakPolarHBondContact NE2-CG 3.35Å; H495-E516 IonicContact NE2-OE1 2.56Å; H495-E516 PolarHBondContact NE2-OE1 3.01Å; F497-E516 HydrophobicContact CD2-CB 4.02Å; F497-E516 HydrophobicContact CD2-CG 4.05Å; F497-E516 HydrophobicContact CE2-CB 3.81Å; F497-E516 HydrophobicContact CE2-CG 4.05Å; E516-F518 HydrophobicContact CG-CD1 4.49Å; E516-F518 HydrophobicContact CG-CE1 3.87Å; E516-F518 HydrophobicContact CG-CZ 4.3Å; E516-E554 CarbonylContact O-C 3.54Å; E516-E554 VanDerWaalsContact O-CA 3.23Å; E516-E554 WeakPolarHBondContact O-CA 3.34Å; E516-M555 PolarHBondContact N-O 2.94Å; E516-M555 PolarHBondContact O-N 3.46Å; E516-H557 WeakPolarHBondContact CB-NE2 3.37Å; E516-H557 IonicContact OE2-CE1 3.29Å; E516-H557 IonicContact OE2-NE2 3.95Å; E516-H557 PolarHBondContact OE2-NE2 3.2Å
517	I	97.3	Very high	91.2	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.072	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	108.9	-168.9	-54.9	162.8	0	0	0	108.2	N465 H495 M496 N498 E519 E554	N465-I517 WeakPolarHBondContact ND2-CD1 3.49Å; H495-I517 PolarHBondContact CD2-O 2.7Å; H495-I517 VanDerWaalsContact CD2-O 3.27Å; M496-I517 HydrophobicContact CB-CB 4.1Å; M496-I517 HydrophobicContact CB-CG2 4.46Å; M496-I517 PolarHBondContact N-O 2.83Å; M496-I517 WeakPolarHBondContact O-CA 3.22Å; M496-I517 WeakPolarHBondContact O-CB 3.42Å; M496-I517 PolarHBondContact O-N 3.42Å; M496-I517 VanDerWaalsContact O-O 3.1Å; N498-I517 HydrophobicContact CB-CD1 4.48Å; I517-E519 HydrophobicContact CG2-CB 4.17Å; I517-E519 HydrophobicContact CG2-CG 4.25Å; I517-E519 PolarHBondContact O-N 2.84Å; I517-E554 HydrophobicContact CG1-CG 3.96Å
518	F	97.3	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.243	C	C	.	.			trans	-77.7	53.3	-176.5	-54.6	-56.8	0	0	0	112.6	F490 V492 E516 V526 I528 Y542 K553 M555	F490-F518 HydrophobicContact CE2-CE1 4.16Å; F490-F518 HydrophobicContact CE2-CZ 4.42Å; F490-F518 HydrophobicContact CZ-CE1 4.39Å; F490-F518 HydrophobicContact CZ-CZ 4.24Å; V492-F518 HydrophobicContact CG1-CE1 4.32Å; V492-F518 HydrophobicContact CG2-CD1 4.4Å; E516-F518 HydrophobicContact CG-CD1 4.49Å; E516-F518 HydrophobicContact CG-CE1 3.87Å; E516-F518 HydrophobicContact CG-CZ 4.3Å; F518-V526 HydrophobicContact CB-CG2 3.92Å; F518-V526 PolarHBondContact O-N 2.83Å; F518-V526 VanDerWaalsContact O-N 3.14Å; F518-I528 HydrophobicContact CB-CD1 3.93Å; F518-I528 HydrophobicContact CB-CG1 4.41Å; F518-I528 HydrophobicContact CD1-CD1 3.84Å; F518-I528 HydrophobicContact CD1-CG1 4.17Å; F518-I528 HydrophobicContact CD2-CD1 3.59Å; F518-I528 HydrophobicContact CE1-CD1 4.23Å; F518-I528 HydrophobicContact CE2-CD1 3.98Å; F518-I528 HydrophobicContact CG-CD1 3.5Å; F518-I528 HydrophobicContact CG-CG1 4.19Å; F518-I528 HydrophobicContact CZ-CD1 4.29Å; F518-Y542 HydrophobicContact CE2-CG 4.5Å; F518-K553 WeakPolarHBondContact CD2-O 3.34Å; F518-K553 PolarHBondContact N-O 3.43Å; F518-M555 HydrophobicContact CE2-CB 4.5Å; F518-M555 HydrophobicContact CE2-CG 3.68Å; F518-M555 HydrophobicContact CZ-CG 4.12Å
519	E	97.8	Very high	93	Very high	47 Å²	47	41.9 Å²	41.9	22%	0.22	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-137.1	159.7	177.5	-59.7	-177.2	158.5	0	0	110.2	H495 M496 I517 E524 K553	H495-E519 CarbonylContact C-O 3.52Å; H495-E519 WeakPolarHBondContact CA-O 3.1Å; M496-E519 WeakPolarHBondContact CG-O 3.16Å; M496-E519 PolarHBondContact N-O 3.12Å; M496-E519 VanDerWaalsContact N-O 3.15Å; I517-E519 HydrophobicContact CG2-CB 4.17Å; I517-E519 HydrophobicContact CG2-CG 4.25Å; I517-E519 PolarHBondContact O-N 2.84Å; E519-E524 CarbonylContact C-O 3.32Å; E519-E524 WeakPolarHBondContact CA-O 3.45Å; E519-E524 WeakPolarHBondContact CB-O 3.26Å; E519-K553 IonicContact OE1-NZ 2.81Å; E519-K553 PolarHBondContact OE1-NZ 3.07Å
520	T	96.5	Very high	93.8	Very high	46 Å²	46	38.5 Å²	38.5	28%	0.282	23%	0.229	S	C	.	.			trans	-78.1	170.4	168.3	69.9	0	0	0	0	110.5	N522 G523 E524 V526	T520-N522 PolarHBondContact O-N 2.85Å; T520-N522 PolarHBondContact OG1-N 2.88Å; T520-G523 PolarHBondContact O-N 3.19Å; T520-E524 HydrophobicContact CG2-CB 4.36Å; T520-E524 PolarHBondContact N-O 3.37Å; T520-E524 PolarHBondContact OG1-N 3.36Å; T520-V526 HydrophobicContact CG2-CG1 3.82Å
521	G	92.8	Very high	94.6	Very high	63 Å²	63	37.9 Å²	37.9	65%	0.649	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17	174.7	0	0	0	0	0	114.8
522	N	93.4	Very high	94.9	Very high	148 Å²	148	38.9 Å²	38.9	79%	0.791	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	1.9	175.9	-64.3	-21.3	0	0	0	113.4	T520	T520-N522 PolarHBondContact O-N 2.85Å; T520-N522 PolarHBondContact OG1-N 2.88Å
523	G	92.6	Very high	94.6	Very high	39 Å²	39	46.3 Å²	46.3	40%	0.402	28%	0.282	S	S	.	.	S	Bend	trans	82.1	14.4	-179.5	0	0	0	0	0	115	T520	T520-G523 PolarHBondContact O-N 3.19Å
524	E	96.3	Very high	94.2	Very high	130 Å²	130	50.2 Å²	50.2	61%	0.607	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-82	138.5	173.9	-60.3	-179.6	154.7	0	0	110.1	E519 T520	E519-E524 CarbonylContact C-O 3.32Å; E519-E524 WeakPolarHBondContact CA-O 3.45Å; E519-E524 WeakPolarHBondContact CB-O 3.26Å; T520-E524 HydrophobicContact CG2-CB 4.36Å; T520-E524 PolarHBondContact N-O 3.37Å; T520-E524 PolarHBondContact OG1-N 3.36Å
525	S	96.1	Very high	94	Very high	54 Å²	54	54.6 Å²	54.6	38%	0.378	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-61.4	143.4	176.9	-67.1	0	0	0	0	112	K553	S525-K553 PolarHBondContact OG-NZ 3.15Å
526	V	97.3	Very high	93.9	Very high	15 Å²	15	58.3 Å²	58.3	9%	0.091	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-100.1	159	172.2	-55.5	0	0	0	0	111.5	V492 H495 F518 T520	V492-V526 HydrophobicContact CG2-CB 4.48Å; V492-V526 HydrophobicContact CG2-CG2 3.54Å; H495-V526 HydrophobicContact CB-CG1 4.13Å; H495-V526 HydrophobicContact CB-CG2 4.11Å; F518-V526 HydrophobicContact CB-CG2 3.92Å; F518-V526 PolarHBondContact O-N 2.83Å; F518-V526 VanDerWaalsContact O-N 3.14Å; T520-V526 HydrophobicContact CG2-CG1 3.82Å
527	N	97	Very high	93.7	Very high	105 Å²	105	62.7 Å²	62.7	56%	0.561	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-81.8	129.3	171.9	-72.7	-30.7	0	0	0	110.5
528	I	97.1	Very high	93.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.8	174.2	-49.1	171.7	0	0	0	106.4	F490 V492 F518 V530 N538 H539	F490-I528 HydrophobicContact CB-CG2 3.76Å; F490-I528 HydrophobicContact CD2-CG2 3.81Å; F490-I528 HydrophobicContact CG-CG2 3.93Å; V492-I528 HydrophobicContact CG2-CG1 4.38Å; F518-I528 HydrophobicContact CB-CD1 3.93Å; F518-I528 HydrophobicContact CB-CG1 4.41Å; F518-I528 HydrophobicContact CD1-CD1 3.84Å; F518-I528 HydrophobicContact CD1-CG1 4.17Å; F518-I528 HydrophobicContact CD2-CD1 3.59Å; F518-I528 HydrophobicContact CE1-CD1 4.23Å; F518-I528 HydrophobicContact CE2-CD1 3.98Å; F518-I528 HydrophobicContact CG-CD1 3.5Å; F518-I528 HydrophobicContact CG-CG1 4.19Å; F518-I528 HydrophobicContact CZ-CD1 4.29Å; I528-V530 HydrophobicContact CB-CG1 4.46Å; I528-V530 HydrophobicContact CG2-CG1 3.81Å; I528-V530 PolarHBondContact O-N 3.23Å; I528-N538 WeakPolarHBondContact O-CA 3.4Å; I528-H539 PolarHBondContact N-O 3.32Å; I528-H539 PolarHBondContact O-N 3.02Å
529	T	96.8	Very high	93.5	Very high	45 Å²	45	68.5 Å²	68.5	28%	0.276	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	105.1	174.3	-59	0	0	0	0	108.1	F490 T491 T536 E537 N538	F490-T529 CarbonylContact C-O 3.55Å; F490-T529 VanDerWaalsContact CA-O 3.26Å; F490-T529 WeakPolarHBondContact CA-O 3.42Å; T491-T529 PolarHBondContact N-O 2.83Å; T491-T529 PolarHBondContact O-N 2.89Å; T529-T536 HydrophobicContact CG2-CG2 4.12Å; T529-E537 WeakPolarHBondContact CA-O 3.41Å; T529-N538 PolarHBondContact OG1-OD1 2.88Å
530	V	96.2	Very high	93.5	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.2	-177.7	-60.7	0	0	0	0	111	W485 A488 P489 F490 I528 T536 E537 H539 Y542	W485-V530 HydrophobicContact CD2-CG2 4.26Å; W485-V530 HydrophobicContact CE3-CB 4.45Å; W485-V530 HydrophobicContact CE3-CG2 3.74Å; W485-V530 HydrophobicContact CZ3-CG2 4.02Å; A488-V530 HydrophobicContact CB-CB 4.31Å; P489-V530 CarbonylContact O-C 3.6Å; P489-V530 WeakPolarHBondContact O-CA 3.25Å; F490-V530 HydrophobicContact CB-CG1 4.1Å; I528-V530 HydrophobicContact CB-CG1 4.46Å; I528-V530 HydrophobicContact CG2-CG1 3.81Å; I528-V530 PolarHBondContact O-N 3.23Å; V530-T536 CarbonylContact O-C 3.58Å; V530-T536 WeakPolarHBondContact O-CA 3.46Å; V530-T536 WeakPolarHBondContact O-CB 3.43Å; V530-E537 HydrophobicContact CG2-CB 4.16Å; V530-E537 WeakPolarHBondContact CG2-O 2.96Å; V530-E537 PolarHBondContact N-O 2.78Å; V530-E537 PolarHBondContact O-N 3.3Å; V530-H539 HydrophobicContact CG1-CB 4.31Å; V530-Y542 HydrophobicContact CG1-CD2 4.08Å; V530-Y542 HydrophobicContact CG1-CE2 4.29Å
531	G	93.6	Very high	93.4	Very high	12 Å²	12	69.9 Å²	69.9	12%	0.124	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.1	-175.9	177.5	0	0	0	0	0	114.4	P489 E535	P489-G531 PolarHBondContact O-N 3.15Å; G531-E535 WeakPolarHBondContact CA-O 3.36Å
532	L	90.4	Very high	93.5	Very high	93 Å²	93	67 Å²	67	49%	0.487	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	160.4	178.7	-69.9	171.7	0	0	0	110.7	W478 P489 G534 E535 T536	W478-L532 HydrophobicContact CE3-CD1 4.09Å; W478-L532 HydrophobicContact CE3-CG 4.11Å; W478-L532 HydrophobicContact CZ3-CD1 4.1Å; W478-L532 HydrophobicContact CZ3-CG 3.99Å; P489-L532 HydrophobicContact CB-CD2 4.3Å; P489-L532 HydrophobicContact CG-CD2 3.74Å; P489-L532 HydrophobicContact CG-CG 4.22Å; L532-G534 PolarHBondContact O-N 3.24Å; L532-G534 VanDerWaalsContact O-N 3.1Å; L532-E535 PolarHBondContact N-O 3.41Å; L532-E535 CarbonylContact O-C 3.57Å; L532-E535 VanDerWaalsContact O-C 3.28Å; L532-E535 PolarHBondContact O-N 3.44Å; L532-T536 VanDerWaalsContact O-CG2 3.24Å; L532-T536 WeakPolarHBondContact O-CG2 3.11Å
533	V	80.7	Confident	93.5	Very high	157 Å²	157	60.4 Å²	60.4	95%	0.952	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	120.5	176.6	178.5	0	0	0	0	110.2
534	G	83.2	Confident	93.6	Very high	83 Å²	83	58.6 Å²	58.6	86%	0.856	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-13.2	-177.1	0	0	0	0	0	115	L532	L532-G534 PolarHBondContact O-N 3.24Å; L532-G534 VanDerWaalsContact O-N 3.1Å
535	E	88.4	Confident	93.5	Very high	91 Å²	91	52.5 Å²	52.5	43%	0.425	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	78.1	176.6	-172.3	170.8	-154.8	0	0	110.4	K480 G531 L532	K480-E535 VanDerWaalsContact CD-CD 3.49Å; K480-E535 HydrophobicContact CD-CG 4.19Å; K480-E535 WeakPolarHBondContact CD-OE1 3.46Å; K480-E535 WeakPolarHBondContact CE-OE1 3.36Å; K480-E535 IonicContact NZ-OE1 3.88Å; K480-E535 PolarHBondContact NZ-OE1 3.19Å; G531-E535 WeakPolarHBondContact CA-O 3.36Å; L532-E535 PolarHBondContact N-O 3.41Å; L532-E535 CarbonylContact O-C 3.57Å; L532-E535 VanDerWaalsContact O-C 3.28Å; L532-E535 PolarHBondContact O-N 3.44Å
536	T	93.7	Very high	93.3	Very high	83 Å²	83	53.4 Å²	53.4	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.7	-175.9	60.1	0	0	0	0	113.8	T529 V530 L532	T529-T536 HydrophobicContact CG2-CG2 4.12Å; V530-T536 CarbonylContact O-C 3.58Å; V530-T536 WeakPolarHBondContact O-CA 3.46Å; V530-T536 WeakPolarHBondContact O-CB 3.43Å; L532-T536 VanDerWaalsContact O-CG2 3.24Å; L532-T536 WeakPolarHBondContact O-CG2 3.11Å
537	E	94.2	Very high	93	Very high	91 Å²	91	54.9 Å²	54.9	43%	0.425	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.1	169.5	-166.2	176.9	-179.5	0	0	110.5	W485 T529 V530 H539	W485-E537 HydrophobicContact CH2-CB 3.86Å; W485-E537 HydrophobicContact CZ2-CB 3.72Å; W485-E537 VanDerWaalsContact CZ2-OE2 3.25Å; W485-E537 WeakPolarHBondContact CZ2-OE2 3.28Å; W485-E537 PolarHBondContact NE1-OE2 3.05Å; T529-E537 WeakPolarHBondContact CA-O 3.41Å; V530-E537 HydrophobicContact CG2-CB 4.16Å; V530-E537 WeakPolarHBondContact CG2-O 2.96Å; V530-E537 PolarHBondContact N-O 2.78Å; V530-E537 PolarHBondContact O-N 3.3Å; E537-H539 VanDerWaalsContact CD-NE2 3.32Å; E537-H539 IonicContact OE1-NE2 2.69Å; E537-H539 IonicContact OE2-CD2 2.75Å; E537-H539 IonicContact OE2-NE2 3.13Å; E537-H539 PolarHBondContact OE2-NE2 3.34Å; E537-H539 VanDerWaalsContact OE2-NE2 3.09Å
538	N	95.4	Very high	92.6	Very high	98 Å²	98	50.2 Å²	50.2	52%	0.524	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.8	173.5	-73.4	-37.8	0	0	0	110.1	I528 T529	I528-N538 WeakPolarHBondContact O-CA 3.4Å; T529-N538 PolarHBondContact OG1-OD1 2.88Å
539	H	95.2	Very high	91.6	Very high	39 Å²	39	59.2 Å²	59.2	18%	0.181	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	163.3	177.6	-70.8	-150.5	0	0	0	109.5	W485 I528 V530 E537 L541	W485-H539 AromaticContact CD1-CE1 3.71Å; W485-H539 AromaticContact CD1-NE2 3.95Å; W485-H539 AromaticContact CG-CE1 3.63Å; I528-H539 PolarHBondContact N-O 3.32Å; I528-H539 PolarHBondContact O-N 3.02Å; V530-H539 HydrophobicContact CG1-CB 4.31Å; E537-H539 VanDerWaalsContact CD-NE2 3.32Å; E537-H539 IonicContact OE1-NE2 2.69Å; E537-H539 IonicContact OE2-CD2 2.75Å; E537-H539 IonicContact OE2-NE2 3.13Å; E537-H539 PolarHBondContact OE2-NE2 3.34Å; E537-H539 VanDerWaalsContact OE2-NE2 3.09Å; H539-L541 WeakPolarHBondContact CB-O 3.19Å
540	T	95.9	Very high	90.8	Very high	64 Å²	64	61.2 Å²	61.2	39%	0.393	36%	0.361	S	S	.	.	S	Bend	trans	-117.3	2.6	171.7	54.8	0	0	0	0	112.5
541	L	94.7	Very high	90.5	Very high	57 Å²	57	61.5 Å²	61.5	30%	0.298	36%	0.364	S	S	.	.	S	Bend	trans	-141.9	145.7	-179	-61.1	173	0	0	0	106.7	H539 T550 E552 K553	H539-L541 WeakPolarHBondContact CB-O 3.19Å; L541-T550 WeakPolarHBondContact CB-O 3.17Å; L541-T550 WeakPolarHBondContact CD1-O 3.47Å; L541-E552 WeakPolarHBondContact CA-O 3.25Å; L541-K553 HydrophobicContact CD2-CB 4.18Å; L541-K553 HydrophobicContact CD2-CD 4.08Å; L541-K553 HydrophobicContact CD2-CG 3.57Å
542	Y	95.3	Very high	90.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.008	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-121.3	139.6	179.7	-173.4	-101.6	0	0	0	111.1	F473 Q487 A488 F490 F518 V530 I544 G551 E552 M555 F638	F473-Y542 WeakPolarHBondContact CE1-OH 3.33Å; Q487-Y542 WeakPolarHBondContact CA-OH 3.36Å; A488-Y542 PolarHBondContact N-OH 3.25Å; A488-Y542 WeakPolarHBondContact O-CE2 3.06Å; A488-Y542 PolarHBondContact O-OH 3.43Å; F490-Y542 HydrophobicContact CB-CE2 4.24Å; F490-Y542 AromaticContact CD1-CD2 3.91Å; F490-Y542 HydrophobicContact CD1-CD2 3.91Å; F490-Y542 HydrophobicContact CD1-CE1 4.18Å; F490-Y542 AromaticContact CD1-CE2 3.39Å; F490-Y542 HydrophobicContact CD1-CE2 3.39Å; F490-Y542 HydrophobicContact CD1-CG 4.49Å; F490-Y542 AromaticContact CD1-CZ 3.54Å; F490-Y542 HydrophobicContact CE1-CD1 4.41Å; F490-Y542 HydrophobicContact CE1-CD2 4.43Å; F490-Y542 HydrophobicContact CE1-CE1 4.04Å; F490-Y542 HydrophobicContact CE1-CE2 4.07Å; F490-Y542 AromaticContact CE1-CZ 3.85Å; F490-Y542 HydrophobicContact CG-CD2 4.41Å; F490-Y542 HydrophobicContact CG-CE2 4.13Å; F518-Y542 HydrophobicContact CE2-CG 4.5Å; V530-Y542 HydrophobicContact CG1-CD2 4.08Å; V530-Y542 HydrophobicContact CG1-CE2 4.29Å; Y542-I544 HydrophobicContact CD1-CG2 4.18Å; Y542-I544 HydrophobicContact CE1-CG2 3.58Å; Y542-G551 CarbonylContact O-C 3.57Å; Y542-G551 VanDerWaalsContact O-CA 3.27Å; Y542-G551 WeakPolarHBondContact O-CA 3.47Å; Y542-E552 PolarHBondContact N-O 3.41Å; Y542-E552 PolarHBondContact O-N 2.92Å; Y542-M555 HydrophobicContact CD1-CG 4.29Å; Y542-M555 HydrophobicContact CD1-SD 4.44Å; Y542-F638 AromaticContact CD1-CZ 3.81Å; Y542-F638 HydrophobicContact CD1-CZ 3.81Å; Y542-F638 AromaticContact CE1-CE1 3.77Å; Y542-F638 HydrophobicContact CE1-CE1 3.77Å; Y542-F638 HydrophobicContact CE1-CE2 4.39Å; Y542-F638 AromaticContact CE1-CZ 3.4Å; Y542-F638 HydrophobicContact CE1-CZ 3.4Å; Y542-F638 VanDerWaalsContact CE1-CZ 3.4Å
543	S	94.5	Very high	90.6	Very high	11 Å²	11	61 Å²	61	8%	0.077	36%	0.355	C	S	.	.			trans	-120.4	137.8	180	-171.4	0	0	0	0	110.8	A486 Q487 T545 V548	A486-S543 CarbonylContact C-O 3.42Å; A486-S543 VanDerWaalsContact CA-O 3.26Å; A486-S543 WeakPolarHBondContact CA-O 3.41Å; Q487-S543 PolarHBondContact N-O 3.43Å; S543-T545 PolarHBondContact OG-N 3.27Å; S543-T545 PolarHBondContact OG-O 3.17Å; S543-V548 VanDerWaalsContact CB-O 3.23Å; S543-V548 WeakPolarHBondContact CB-O 3.35Å; S543-V548 PolarHBondContact OG-O 2.93Å
544	I	94.3	Very high	91.3	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.321	C	S	.	.			trans	-109.2	2.1	166.3	62.6	169.2	0	0	0	112.6	Q487 Y542 M555 F614 F638 N640	Q487-I544 HydrophobicContact CG-CB 4.22Å; Q487-I544 WeakPolarHBondContact CG-O 3.38Å; Q487-I544 PolarHBondContact NE2-O 2.91Å; Y542-I544 HydrophobicContact CD1-CG2 4.18Å; Y542-I544 HydrophobicContact CE1-CG2 3.58Å; I544-M555 HydrophobicContact CB-CE 4.37Å; I544-M555 HydrophobicContact CD1-CE 3.77Å; I544-M555 HydrophobicContact CG1-CE 3.76Å; I544-M555 HydrophobicContact CG2-CE 3.78Å; I544-F614 HydrophobicContact CB-CE1 4.05Å; I544-F614 HydrophobicContact CG2-CE1 3.95Å; I544-F614 HydrophobicContact CG2-CZ 4.3Å; I544-F638 HydrophobicContact CG2-CD1 4.43Å; I544-F638 HydrophobicContact CG2-CD2 4.27Å; I544-F638 HydrophobicContact CG2-CE1 4.16Å; I544-F638 HydrophobicContact CG2-CE2 3.94Å; I544-F638 HydrophobicContact CG2-CG 4.49Å; I544-F638 HydrophobicContact CG2-CZ 3.93Å; I544-N640 VanDerWaalsContact CD1-N 3.35Å; I544-N640 WeakPolarHBondContact CG1-ND2 3.32Å
545	T	93.9	Very high	91.9	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	28%	0.281	C	S	.	.	S	Bend	trans	-101.8	110.6	-179.3	-60.1	0	0	0	0	108.7	A486 S543 G547 V548 R608 N640 F647	A486-T545 WeakPolarHBondContact CB-O 3.35Å; S543-T545 PolarHBondContact OG-N 3.27Å; S543-T545 PolarHBondContact OG-O 3.17Å; T545-G547 PolarHBondContact O-N 2.91Å; T545-V548 HydrophobicContact CG2-CB 4.14Å; T545-V548 HydrophobicContact CG2-CG2 3.6Å; T545-V548 PolarHBondContact O-N 2.76Å; T545-R608 HydrophobicContact CG2-CG 4.04Å; T545-N640 PolarHBondContact OG1-OD1 3.37Å; T545-F647 HydrophobicContact CG2-CB 4.23Å; T545-F647 WeakPolarHBondContact OG1-CB 3.37Å
546	I	92.4	Very high	92.1	Very high	73 Å²	73	48 Å²	48	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	129.1	-179.1	-63.5	172.2	0	0	0	110.1	D483 A486 V548 T606	D483-I546 HydrophobicContact CB-CD1 4.49Å; D483-I546 HydrophobicContact CB-CG1 4.41Å; A486-I546 HydrophobicContact CB-CG1 4.28Å; I546-V548 VanDerWaalsContact C-N 3.34Å; I546-T606 WeakPolarHBondContact O-CB 3.45Å
547	G	89.7	Confident	92.2	Very high	46 Å²	46	44 Å²	44	47%	0.474	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	17.2	-178.9	0	0	0	0	0	115.3	T545 T606	T545-G547 PolarHBondContact O-N 2.91Å; G547-T606 PolarHBondContact O-OG1 2.98Å
548	V	89.1	Confident	92	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.042	22%	0.222	C	C	.	.			trans	-117.5	103	167.5	178.3	0	0	0	0	108.9	S543 T545 I546 T550 Y607	S543-V548 VanDerWaalsContact CB-O 3.23Å; S543-V548 WeakPolarHBondContact CB-O 3.35Å; S543-V548 PolarHBondContact OG-O 2.93Å; T545-V548 HydrophobicContact CG2-CB 4.14Å; T545-V548 HydrophobicContact CG2-CG2 3.6Å; T545-V548 PolarHBondContact O-N 2.76Å; I546-V548 VanDerWaalsContact C-N 3.34Å; V548-T550 WeakPolarHBondContact CG1-OG1 3.47Å; V548-Y607 HydrophobicContact CG2-CD1 4.05Å; V548-Y607 HydrophobicContact CG2-CE1 4.25Å
549	E	75.7	Confident	91.6	Very high	188 Å²	188	36.2 Å²	36.2	88%	0.879	20%	0.198	S	C	*	.			trans	-81.2	-23.2	-173.5	-64.6	178.4	176.2	0	0	114.1	G551	E549-G551 PolarHBondContact O-N 3.39Å
550	T	81.1	Confident	90.9	Very high	87 Å²	87	36.1 Å²	36.1	53%	0.534	20%	0.198	S	C	.	.	S	Bend	trans	-63.5	-27.8	-174.5	42.7	0	0	0	0	113.2	L541 V548 S646	L541-T550 WeakPolarHBondContact CB-O 3.17Å; L541-T550 WeakPolarHBondContact CD1-O 3.47Å; V548-T550 WeakPolarHBondContact CG1-OG1 3.47Å; T550-S646 VanDerWaalsContact OG1-CB 3.31Å; T550-S646 WeakPolarHBondContact OG1-CB 3.03Å
551	G	89.7	Confident	89.8	Confident	7 Å²	7	38.9 Å²	38.9	7%	0.072	21%	0.205	C	C	.	.			trans	60.3	-166.1	178.5	0	0	0	0	0	114.6	Y542 E549 S646	Y542-G551 CarbonylContact O-C 3.57Å; Y542-G551 VanDerWaalsContact O-CA 3.27Å; Y542-G551 WeakPolarHBondContact O-CA 3.47Å; E549-G551 PolarHBondContact O-N 3.39Å; G551-S646 WeakPolarHBondContact O-CB 3.44Å; G551-S646 PolarHBondContact O-OG 2.81Å; G551-S646 VanDerWaalsContact O-OG 3.04Å
552	E	92.7	Very high	88.4	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.037	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-138.7	147.1	-174.4	-49.8	-171.7	163.5	0	0	110.2	L541 Y542 M555 N640 N641 S644 F647	L541-E552 WeakPolarHBondContact CA-O 3.25Å; Y542-E552 PolarHBondContact N-O 3.41Å; Y542-E552 PolarHBondContact O-N 2.92Å; E552-M555 HydrophobicContact CB-SD 3.79Å; E552-M555 HydrophobicContact CG-SD 4.21Å; E552-M555 VanDerWaalsContact OE2-SD 3.36Å; E552-N640 PolarHBondContact OE1-ND2 2.93Å; E552-N640 WeakPolarHBondContact OE2-CA 3.26Å; E552-N641 PolarHBondContact OE2-N 2.95Å; E552-S644 VanDerWaalsContact CD-CB 3.46Å; E552-S644 VanDerWaalsContact CD-OG 3.24Å; E552-S644 WeakPolarHBondContact CG-OG 3.29Å; E552-S644 WeakPolarHBondContact OE1-CB 3.48Å; E552-S644 PolarHBondContact OE1-OG 2.95Å; E552-F647 VanDerWaalsContact OE1-CD1 3.32Å; E552-F647 WeakPolarHBondContact OE1-CD1 3.33Å
553	K	93.1	Very high	86.6	Confident	86 Å²	86	37.2 Å²	37.2	37%	0.374	20%	0.199	S	C	.	.	S	Bend	trans	-79.4	-22.4	173.9	-102.5	147.4	178.8	-81	0	112.8	F518 E519 S525 L541	F518-K553 WeakPolarHBondContact CD2-O 3.34Å; F518-K553 PolarHBondContact N-O 3.43Å; E519-K553 IonicContact OE1-NZ 2.81Å; E519-K553 PolarHBondContact OE1-NZ 3.07Å; S525-K553 PolarHBondContact OG-NZ 3.15Å; L541-K553 HydrophobicContact CD2-CB 4.18Å; L541-K553 HydrophobicContact CD2-CD 4.08Å; L541-K553 HydrophobicContact CD2-CG 3.57Å
554	E	94.9	Very high	84.8	Confident	53 Å²	53	38.3 Å²	38.3	25%	0.248	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	130	-172.8	178.4	-175.1	141.7	0	0	108.1	A515 E516 I517 N641	A515-E554 HydrophobicContact CB-CG 4.3Å; E516-E554 CarbonylContact O-C 3.54Å; E516-E554 VanDerWaalsContact O-CA 3.23Å; E516-E554 WeakPolarHBondContact O-CA 3.34Å; I517-E554 HydrophobicContact CG1-CG 3.96Å; E554-N641 WeakPolarHBondContact CG-ND2 3.31Å; E554-N641 WeakPolarHBondContact O-CB 3.5Å; E554-N641 PolarHBondContact OE1-ND2 3.37Å; E554-N641 PolarHBondContact OE2-ND2 2.87Å
555	M	95.4	Very high	82.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	158.6	176.2	-66.1	-51.4	-62.6	0	0	110.7	A515 E516 F518 Y542 I544 E552 F638 I639	A515-M555 CarbonylContact C-O 3.5Å; A515-M555 WeakPolarHBondContact CA-O 3.32Å; E516-M555 PolarHBondContact N-O 2.94Å; E516-M555 PolarHBondContact O-N 3.46Å; F518-M555 HydrophobicContact CE2-CB 4.5Å; F518-M555 HydrophobicContact CE2-CG 3.68Å; F518-M555 HydrophobicContact CZ-CG 4.12Å; Y542-M555 HydrophobicContact CD1-CG 4.29Å; Y542-M555 HydrophobicContact CD1-SD 4.44Å; I544-M555 HydrophobicContact CB-CE 4.37Å; I544-M555 HydrophobicContact CD1-CE 3.77Å; I544-M555 HydrophobicContact CG1-CE 3.76Å; I544-M555 HydrophobicContact CG2-CE 3.78Å; E552-M555 HydrophobicContact CB-SD 3.79Å; E552-M555 HydrophobicContact CG-SD 4.21Å; E552-M555 VanDerWaalsContact OE2-SD 3.36Å; M555-F638 HydrophobicContact CB-CD2 4.41Å; M555-F638 HydrophobicContact CB-CE2 3.56Å; M555-F638 HydrophobicContact CB-CZ 4.34Å; M555-F638 HydrophobicContact CE-CD2 3.96Å; M555-F638 HydrophobicContact CE-CE2 3.34Å; M555-F638 HydrophobicContact CE-CZ 4.21Å; M555-F638 HydrophobicContact CG-CE2 3.66Å; M555-F638 HydrophobicContact CG-CZ 4.14Å; M555-F638 HydrophobicContact SD-CE2 4.28Å; M555-I639 WeakPolarHBondContact CE-O 3.11Å
556	V	94.5	Very high	81.4	Confident	5 Å²	5	41.2 Å²	41.2	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.6	-177.2	-176.5	0	0	0	0	111.1	D500 F514 K558 I639 N641	D500-V556 HydrophobicContact CB-CG1 4.25Å; D500-V556 VanDerWaalsContact OD2-CG1 3.31Å; D500-V556 WeakPolarHBondContact OD2-CG1 3.41Å; F514-V556 CarbonylContact O-C 3.49Å; F514-V556 WeakPolarHBondContact O-CA 3.28Å; V556-K558 HydrophobicContact CG1-CD 3.78Å; V556-K558 HydrophobicContact CG1-CG 4.07Å; V556-I639 HydrophobicContact CB-CD1 4.36Å; V556-I639 HydrophobicContact CB-CG1 3.84Å; V556-I639 HydrophobicContact CG1-CD1 4.3Å; V556-I639 HydrophobicContact CG1-CG1 4.18Å; V556-I639 PolarHBondContact N-O 2.63Å; V556-I639 WeakPolarHBondContact O-CG1 3.26Å; V556-I639 PolarHBondContact O-N 3.26Å; V556-N641 HydrophobicContact CG2-CB 4.36Å
557	H	93.9	Very high	80	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	102.3	178.1	-50.9	-88.5	0	0	0	108	I450 W452 N513 F514 E516 E616 Y636	I450-H557 VanDerWaalsContact CD1-CE1 3.48Å; I450-H557 WeakPolarHBondContact CD1-CE1 3.31Å; W452-H557 HydrophobicContact CH2-CB 4.27Å; W452-H557 HydrophobicContact CZ2-CB 3.98Å; W452-H557 AromaticContact CZ2-CG 3.59Å; W452-H557 AromaticContact CZ2-ND1 3.61Å; N513-H557 CarbonylContact C-O 3.43Å; N513-H557 VanDerWaalsContact CA-O 3.22Å; N513-H557 WeakPolarHBondContact CA-O 3.48Å; F514-H557 HydrophobicContact CB-CB 4.42Å; F514-H557 PolarHBondContact N-O 2.86Å; F514-H557 PolarHBondContact O-N 3.31Å; E516-H557 WeakPolarHBondContact CB-NE2 3.37Å; E516-H557 IonicContact OE2-CE1 3.29Å; E516-H557 IonicContact OE2-NE2 3.95Å; E516-H557 PolarHBondContact OE2-NE2 3.2Å; H557-E616 IonicContact CE1-OE1 2.71Å; H557-E616 IonicContact CG-OE1 2.77Å; H557-E616 IonicContact ND1-OE1 3.06Å; H557-E616 PolarHBondContact ND1-OE1 2.93Å; H557-Y636 HydrophobicContact CB-CD1 4.11Å; H557-Y636 HydrophobicContact CB-CG 4.36Å
558	K	89.9	Confident	79	Confident	25 Å²	25	42.5 Å²	42.5	11%	0.109	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.9	-176.8	-65.4	-63.4	-163.8	-179.2	0	111	D500 N513 V556 N560 Y636 N637 I639	D500-K558 IonicContact OD2-NZ 2.63Å; D500-K558 PolarHBondContact OD2-NZ 3.09Å; N513-K558 HydrophobicContact CB-CD 3.82Å; N513-K558 VanDerWaalsContact CG-CD 3.4Å; N513-K558 VanDerWaalsContact OD1-CA 3.25Å; N513-K558 WeakPolarHBondContact OD1-CA 3.48Å; V556-K558 HydrophobicContact CG1-CD 3.78Å; V556-K558 HydrophobicContact CG1-CG 4.07Å; K558-N560 PolarHBondContact O-N 3.03Å; K558-Y636 CarbonylContact O-C 3.56Å; K558-Y636 WeakPolarHBondContact O-CA 3.36Å; K558-N637 HydrophobicContact CB-CB 4.34Å; K558-N637 PolarHBondContact N-O 3.02Å; K558-N637 PolarHBondContact O-N 2.97Å; K558-I639 HydrophobicContact CD-CD1 4.23Å; K558-I639 HydrophobicContact CG-CD1 3.44Å; K558-I639 VanDerWaalsContact CG-CD1 3.44Å; K558-I639 HydrophobicContact CG-CG1 4.04Å
559	V	87.5	Confident	78.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.5	175.2	69.4	0	0	0	0	110.2	N513 F561 A562 S563 S634 Y636	N513-V559 PolarHBondContact OD1-N 3.49Å; V559-F561 VanDerWaalsContact C-N 3.32Å; V559-F561 HydrophobicContact CG2-CD1 3.76Å; V559-F561 HydrophobicContact CG2-CE1 3.52Å; V559-F561 HydrophobicContact CG2-CZ 4.14Å; V559-F561 PolarHBondContact O-N 2.81Å; V559-A562 HydrophobicContact CG1-CB 3.34Å; V559-A562 PolarHBondContact O-N 2.9Å; V559-S563 PolarHBondContact O-N 2.89Å; V559-S563 PolarHBondContact O-OG 3.12Å; V559-S634 WeakPolarHBondContact CG2-OG 3.29Å; V559-Y636 HydrophobicContact CB-CD1 4.31Å; V559-Y636 HydrophobicContact CB-CE1 4.24Å
560	N	81.1	Confident	78.7	Confident	36 Å²	36	35 Å²	35	19%	0.193	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.3	-163.9	70.7	-24.8	0	0	0	115.5	K558 G566 I567 I635	K558-N560 PolarHBondContact O-N 3.03Å; N560-G566 WeakPolarHBondContact O-CA 2.95Å; N560-I567 HydrophobicContact CB-CD1 3.92Å; N560-I567 HydrophobicContact CB-CG1 4.02Å; N560-I635 HydrophobicContact CB-CB 4.31Å; N560-I635 HydrophobicContact CB-CG2 4.05Å; N560-I635 WeakPolarHBondContact CB-O 3.49Å; N560-I635 PolarHBondContact N-O 2.96Å; N560-I635 PolarHBondContact OD1-O 2.81Å
561	F	73	Confident	79	Confident	123 Å²	123	35 Å²	35	54%	0.539	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.7	-176.2	66.4	-102.3	0	0	0	113.8	Y511 V559	Y511-F561 VanDerWaalsContact CB-CZ 3.47Å; Y511-F561 AromaticContact CD1-CE1 3.7Å; Y511-F561 HydrophobicContact CD1-CE1 3.7Å; Y511-F561 AromaticContact CD1-CZ 3.72Å; Y511-F561 HydrophobicContact CD1-CZ 3.72Å; Y511-F561 HydrophobicContact CD2-CZ 4.01Å; Y511-F561 HydrophobicContact CE1-CE1 4.33Å; Y511-F561 HydrophobicContact CE1-CZ 4.48Å; Y511-F561 AromaticContact CG-CE1 3.96Å; Y511-F561 HydrophobicContact CG-CE1 3.96Å; Y511-F561 AromaticContact CG-CZ 3.46Å; Y511-F561 HydrophobicContact CG-CZ 3.46Å; Y511-F561 VanDerWaalsContact CG-CZ 3.46Å; V559-F561 VanDerWaalsContact C-N 3.32Å; V559-F561 HydrophobicContact CG2-CD1 3.76Å; V559-F561 HydrophobicContact CG2-CE1 3.52Å; V559-F561 HydrophobicContact CG2-CZ 4.14Å; V559-F561 PolarHBondContact O-N 2.81Å
562	A	64.6	Low	78.7	Confident	8 Å²	8	35 Å²	35	7%	0.066	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-4.3	-168.6	0	0	0	0	0	113.4	Y507 V559	Y507-A562 HydrophobicContact CD1-CB 4.4Å; Y507-A562 HydrophobicContact CD2-CB 3.52Å; Y507-A562 HydrophobicContact CE1-CB 4.05Å; Y507-A562 HydrophobicContact CE2-CB 3.1Å; Y507-A562 WeakPolarHBondContact CE2-O 3.12Å; Y507-A562 HydrophobicContact CG-CB 4.19Å; Y507-A562 PolarHBondContact OH-O 2.88Å; V559-A562 HydrophobicContact CG1-CB 3.34Å; V559-A562 PolarHBondContact O-N 2.9Å
563	S	57.5	Low	78.5	Confident	16 Å²	16	36.2 Å²	36.2	11%	0.112	19%	0.189	C	C	.	.	S	Bend	trans	-80.9	143.6	172.1	55.6	0	0	0	0	110.8	V559 E565 G566	V559-S563 PolarHBondContact O-N 2.89Å; V559-S563 PolarHBondContact O-OG 3.12Å; S563-E565 WeakPolarHBondContact CB-OE2 3.46Å; S563-E565 PolarHBondContact O-N 3.41Å; S563-E565 VanDerWaalsContact O-N 3.17Å; S563-E565 PolarHBondContact OG-O 2.88Å; S563-G566 PolarHBondContact O-N 2.9Å; S563-G566 PolarHBondContact OG-N 2.92Å
564	S	58	Low	78.4	Confident	33 Å²	33	33.6 Å²	33.6	23%	0.231	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.8	158	22.4	0	0	0	0	110	G566 N569 D809	S564-G566 PolarHBondContact O-N 2.86Å; S564-N569 PolarHBondContact O-ND2 2.89Å; S564-D809 WeakPolarHBondContact CB-OD2 3.42Å
565	E	54.2	Low	78.2	Confident	47 Å²	47	34.5 Å²	34.5	22%	0.22	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	52.6	179.5	-47.6	74.6	-157.1	0	0	112.5	S563 N569 N637	S563-E565 WeakPolarHBondContact CB-OE2 3.46Å; S563-E565 PolarHBondContact O-N 3.41Å; S563-E565 VanDerWaalsContact O-N 3.17Å; S563-E565 PolarHBondContact OG-O 2.88Å; E565-N569 HydrophobicContact CB-CB 4.37Å; E565-N637 PolarHBondContact O-ND2 3.5Å
566	G	61	Low	78	Confident	18 Å²	18	35 Å²	35	19%	0.186	19%	0.186	C	C	.	.			trans	-52.2	169.2	175.3	0	0	0	0	0	112.2	N560 S563 S564 V568 N569 I570	N560-G566 WeakPolarHBondContact O-CA 2.95Å; S563-G566 PolarHBondContact O-N 2.9Å; S563-G566 PolarHBondContact OG-N 2.92Å; S564-G566 PolarHBondContact O-N 2.86Å; G566-V568 CarbonylContact O-C 3.17Å; G566-V568 PolarHBondContact O-N 2.79Å; G566-N569 PolarHBondContact O-N 3.25Å; G566-I570 PolarHBondContact O-N 2.88Å
567	I	62.7	Low	77.9	Confident	58 Å²	58	35.2 Å²	35.2	30%	0.297	19%	0.186	S	C	.	.	H	α-helix	trans	-45.5	-36.4	180	-75.4	168	0	0	0	112.3	N560 N569 I570 H571 P615 I635 N637	N560-I567 HydrophobicContact CB-CD1 3.92Å; N560-I567 HydrophobicContact CB-CG1 4.02Å; I567-N569 PolarHBondContact O-N 3.03Å; I567-I570 VanDerWaalsContact O-CG2 3.29Å; I567-I570 WeakPolarHBondContact O-CG2 3.49Å; I567-H571 WeakPolarHBondContact CG2-CD2 3.36Å; I567-H571 PolarHBondContact O-CD2 2.87Å; I567-H571 PolarHBondContact O-N 2.91Å; I567-P615 HydrophobicContact CD1-CB 4.48Å; I567-P615 HydrophobicContact CG1-CB 4.46Å; I567-I635 HydrophobicContact CD1-CG2 4.39Å; I567-N637 WeakPolarHBondContact CG1-OD1 3.4Å
568	V	70.1	Confident	77.9	Confident	88 Å²	88	42 Å²	42	53%	0.533	22%	0.218	S	C	.	.	H	α-helix	trans	-59.4	-43.7	175.7	178.9	0	0	0	0	112.6	G566 A572	G566-V568 CarbonylContact O-C 3.17Å; G566-V568 PolarHBondContact O-N 2.79Å; V568-A572 WeakPolarHBondContact O-CB 3.42Å; V568-A572 PolarHBondContact O-N 2.83Å
569	N	74.8	Confident	78.1	Confident	30 Å²	30	44 Å²	44	16%	0.16	23%	0.229	C	C	.	.	H	α-helix	trans	-72	-39.6	-176	-83.2	-3.8	0	0	0	112.4	S564 E565 G566 I567 A572 M573	S564-N569 PolarHBondContact O-ND2 2.89Å; E565-N569 HydrophobicContact CB-CB 4.37Å; G566-N569 PolarHBondContact O-N 3.25Å; I567-N569 PolarHBondContact O-N 3.03Å; N569-A572 PolarHBondContact O-N 3.2Å; N569-M573 WeakPolarHBondContact O-CB 3.35Å; N569-M573 VanDerWaalsContact O-CG 3.26Å; N569-M573 WeakPolarHBondContact O-CG 3.23Å; N569-M573 PolarHBondContact O-N 3.14Å
570	I	83.9	Confident	78.5	Confident	8 Å²	8	44 Å²	44	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-40.9	176.5	-164.7	57.8	0	0	0	111.4	G566 I567 M573 N574 G613 I639	G566-I570 PolarHBondContact O-N 2.88Å; I567-I570 VanDerWaalsContact O-CG2 3.29Å; I567-I570 WeakPolarHBondContact O-CG2 3.49Å; I570-M573 PolarHBondContact O-N 3.41Å; I570-N574 PolarHBondContact O-N 3Å; I570-N574 PolarHBondContact O-ND2 2.79Å; I570-G613 VanDerWaalsContact CG1-C 3.43Å; I570-G613 WeakPolarHBondContact CG1-O 2.91Å; I570-I639 HydrophobicContact CD1-CG2 3.96Å; I570-I639 HydrophobicContact CG1-CG2 4.26Å
571	H	85.8	Confident	79.2	Confident	86 Å²	86	43.9 Å²	43.9	40%	0.398	23%	0.228	S	C	.	.	H	α-helix	trans	-68.5	-38.9	174.3	-68.5	-52.3	0	0	0	112.5	I567 M573 N574 M575	I567-H571 WeakPolarHBondContact CG2-CD2 3.36Å; I567-H571 PolarHBondContact O-CD2 2.87Å; I567-H571 PolarHBondContact O-N 2.91Å; H571-M573 VanDerWaalsContact C-N 3.31Å; H571-M573 PolarHBondContact O-N 3.37Å; H571-N574 PolarHBondContact O-N 2.96Å; H571-M575 WeakPolarHBondContact O-CB 3.26Å; H571-M575 PolarHBondContact O-N 3.04Å
572	A	84.9	Confident	80.2	Confident	6 Å²	6	40.8 Å²	40.8	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-40.7	173.3	0	0	0	0	0	111.2	V568 N569 M575 Y576 F801 I805	V568-A572 WeakPolarHBondContact O-CB 3.42Å; V568-A572 PolarHBondContact O-N 2.83Å; N569-A572 PolarHBondContact O-N 3.2Å; A572-M575 PolarHBondContact O-N 3.08Å; A572-Y576 WeakPolarHBondContact O-CB 3.47Å; A572-Y576 PolarHBondContact O-N 3.41Å; A572-F801 HydrophobicContact CB-CE1 4.41Å; A572-F801 WeakPolarHBondContact O-CE1 3.43Å; A572-F801 VanDerWaalsContact O-CZ 3.22Å; A572-F801 WeakPolarHBondContact O-CZ 3.19Å; A572-I805 HydrophobicContact CB-CG2 4.09Å
573	M	87.1	Confident	81.7	Confident	35 Å²	35	42.7 Å²	42.7	17%	0.172	24%	0.238	C	C	.	.	H	α-helix	trans	-72.1	-30.6	177.5	-72.1	-53.1	103.7	0	0	113.3	N569 I570 H571 Q577 S610 F801	N569-M573 WeakPolarHBondContact O-CB 3.35Å; N569-M573 VanDerWaalsContact O-CG 3.26Å; N569-M573 WeakPolarHBondContact O-CG 3.23Å; N569-M573 PolarHBondContact O-N 3.14Å; I570-M573 PolarHBondContact O-N 3.41Å; H571-M573 VanDerWaalsContact C-N 3.31Å; H571-M573 PolarHBondContact O-N 3.37Å; M573-Q577 PolarHBondContact O-N 3.14Å; M573-Q577 VanDerWaalsContact O-N 3.11Å; M573-S610 PolarHBondContact O-OG 3.23Å; M573-F801 HydrophobicContact CE-CE1 4.15Å
574	N	90.8	Very high	83.5	Confident	30 Å²	30	42 Å²	42	16%	0.16	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-44	168.6	-74.9	-27.2	0	0	0	111.5	I570 H571 Q577 Q578 R608 G613	I570-N574 PolarHBondContact O-N 3Å; I570-N574 PolarHBondContact O-ND2 2.79Å; H571-N574 PolarHBondContact O-N 2.96Å; N574-Q577 PolarHBondContact O-N 3.27Å; N574-Q578 WeakPolarHBondContact O-CG 3.39Å; N574-Q578 PolarHBondContact O-N 3.02Å; N574-Q578 VanDerWaalsContact O-N 3.07Å; N574-R608 PolarHBondContact OD1-NH1 2.82Å; N574-R608 PolarHBondContact OD1-NH2 3.48Å; N574-G613 PolarHBondContact ND2-O 2.97Å
575	M	90.8	Very high	85.2	Confident	72 Å²	72	48.3 Å²	48.3	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-44	175.3	-177.5	171.2	70.3	0	0	111.6	H571 A572 Q577 Q578 I579 F801 I805	H571-M575 WeakPolarHBondContact O-CB 3.26Å; H571-M575 PolarHBondContact O-N 3.04Å; A572-M575 PolarHBondContact O-N 3.08Å; M575-Q577 VanDerWaalsContact C-N 3.3Å; M575-Q577 PolarHBondContact O-N 3.09Å; M575-Q578 PolarHBondContact O-N 2.86Å; M575-I579 HydrophobicContact CG-CD1 3.65Å; M575-I579 HydrophobicContact CG-CG1 4.23Å; M575-I579 WeakPolarHBondContact O-CG1 3.18Å; M575-I579 PolarHBondContact O-N 2.87Å; M575-I579 HydrophobicContact SD-CD1 4.31Å; M575-F801 HydrophobicContact CB-CZ 4.34Å; M575-F801 HydrophobicContact CE-CE2 3.79Å; M575-F801 HydrophobicContact CE-CZ 3.6Å; M575-F801 HydrophobicContact CG-CE2 4.3Å; M575-F801 HydrophobicContact CG-CZ 4.36Å; M575-I805 HydrophobicContact CE-CD1 4.14Å; M575-I805 HydrophobicContact CE-CG1 4.16Å; M575-I805 HydrophobicContact CE-CG2 3.57Å
576	Y	91.5	Very high	87.1	Confident	12 Å²	12	51.5 Å²	51.5	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-51.6	-50.7	173.4	171.6	-99.1	0	0	0	110.9	A572 Q578 I579 L580 K609 F797 Y798 F801	A572-Y576 WeakPolarHBondContact O-CB 3.47Å; A572-Y576 PolarHBondContact O-N 3.41Å; Y576-Q578 PolarHBondContact O-N 2.7Å; Y576-I579 PolarHBondContact O-N 3.23Å; Y576-L580 HydrophobicContact CE1-CD1 3.85Å; Y576-L580 HydrophobicContact CE2-CD1 4.28Å; Y576-L580 WeakPolarHBondContact O-CB 3.1Å; Y576-L580 PolarHBondContact O-N 3.12Å; Y576-L580 VanDerWaalsContact OH-CD1 3.31Å; Y576-L580 WeakPolarHBondContact OH-CD1 3.44Å; Y576-K609 HydrophobicContact CE1-CB 4.12Å; Y576-F797 HydrophobicContact CD2-CD1 4.25Å; Y576-F797 AromaticContact CD2-CE1 3.71Å; Y576-F797 HydrophobicContact CD2-CE1 3.71Å; Y576-F797 AromaticContact CE2-CD1 3.52Å; Y576-F797 HydrophobicContact CE2-CD1 3.52Å; Y576-F797 AromaticContact CE2-CE1 3.41Å; Y576-F797 HydrophobicContact CE2-CE1 3.41Å; Y576-F797 VanDerWaalsContact CE2-CE1 3.41Å; Y576-Y798 HydrophobicContact CE2-CD2 4.3Å; Y576-F801 HydrophobicContact CD2-CB 4.05Å; Y576-F801 AromaticContact CD2-CD1 3.74Å; Y576-F801 HydrophobicContact CD2-CD1 3.74Å; Y576-F801 HydrophobicContact CD2-CD2 4.23Å; Y576-F801 HydrophobicContact CD2-CE1 4.27Å; Y576-F801 AromaticContact CD2-CG 3.73Å; Y576-F801 HydrophobicContact CD2-CG 3.73Å; Y576-F801 HydrophobicContact CE2-CB 4.46Å; Y576-F801 HydrophobicContact CG-CD1 4.33Å; Y576-F801 HydrophobicContact CG-CE1 4.43Å
577	Q	93.3	Very high	88.7	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-45.3	179.4	178.5	63.6	26.3	0	0	111.7	M573 N574 M575 L581 Y607 R608	M573-Q577 PolarHBondContact O-N 3.14Å; M573-Q577 VanDerWaalsContact O-N 3.11Å; N574-Q577 PolarHBondContact O-N 3.27Å; M575-Q577 VanDerWaalsContact C-N 3.3Å; M575-Q577 PolarHBondContact O-N 3.09Å; Q577-L581 HydrophobicContact CG-CD1 4.42Å; Q577-L581 VanDerWaalsContact NE2-CD1 3.3Å; Q577-L581 VanDerWaalsContact O-CG 3.31Å; Q577-L581 WeakPolarHBondContact O-CG 3.26Å; Q577-L581 PolarHBondContact O-N 2.67Å; Q577-Y607 PolarHBondContact NE2-O 2.68Å; Q577-Y607 VanDerWaalsContact NE2-O 3.15Å; Q577-R608 HydrophobicContact CG-CG 4.42Å
578	Q	93.6	Very high	90.1	Very high	142 Å²	142	55.6 Å²	55.6	66%	0.664	30%	0.298	S	S	*	.	H	α-helix	trans	-64	-47.4	-179.7	-70.5	-179.5	23.4	0	0	112.4	N574 M575 Y576 L581 A582	N574-Q578 WeakPolarHBondContact O-CG 3.39Å; N574-Q578 PolarHBondContact O-N 3.02Å; N574-Q578 VanDerWaalsContact O-N 3.07Å; M575-Q578 PolarHBondContact O-N 2.86Å; Y576-Q578 PolarHBondContact O-N 2.7Å; Q578-L581 PolarHBondContact O-N 3.45Å; Q578-A582 WeakPolarHBondContact O-CB 3.25Å; Q578-A582 PolarHBondContact O-N 2.79Å
579	I	94.4	Very high	91.1	Very high	68 Å²	68	53.1 Å²	53.1	35%	0.349	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-42.7	179.4	-62	174.3	0	0	0	110.1	M575 Y576 L581 A582 C583 F797 F801	M575-I579 HydrophobicContact CG-CD1 3.65Å; M575-I579 HydrophobicContact CG-CG1 4.23Å; M575-I579 WeakPolarHBondContact O-CG1 3.18Å; M575-I579 PolarHBondContact O-N 2.87Å; M575-I579 HydrophobicContact SD-CD1 4.31Å; Y576-I579 PolarHBondContact O-N 3.23Å; I579-L581 VanDerWaalsContact C-N 3.35Å; I579-L581 PolarHBondContact O-N 2.95Å; I579-A582 PolarHBondContact O-N 2.85Å; I579-A582 VanDerWaalsContact O-N 3.17Å; I579-C583 PolarHBondContact O-N 2.71Å; I579-C583 PolarHBondContact O-SG 3.33Å; I579-C583 VanDerWaalsContact O-SG 3.39Å; I579-F797 HydrophobicContact CB-CZ 4.28Å; I579-F797 HydrophobicContact CG2-CE2 4.12Å; I579-F797 HydrophobicContact CG2-CZ 3.79Å; I579-F801 HydrophobicContact CD1-CE2 4.14Å
580	L	95.1	Very high	92	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-49.2	176.9	-179.9	141.5	0	0	0	111	Y576 A582 C583 A584 K609 F797	Y576-L580 HydrophobicContact CE1-CD1 3.85Å; Y576-L580 HydrophobicContact CE2-CD1 4.28Å; Y576-L580 WeakPolarHBondContact O-CB 3.1Å; Y576-L580 PolarHBondContact O-N 3.12Å; Y576-L580 VanDerWaalsContact OH-CD1 3.31Å; Y576-L580 WeakPolarHBondContact OH-CD1 3.44Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-A582 PolarHBondContact O-N 3.37Å; L580-C583 PolarHBondContact O-N 2.64Å; L580-A584 WeakPolarHBondContact O-CB 2.91Å; L580-A584 PolarHBondContact O-N 3.39Å; L580-K609 HydrophobicContact CD1-CD 3.64Å; L580-K609 HydrophobicContact CD2-CD 4.03Å; L580-F797 HydrophobicContact CB-CE1 3.72Å; L580-F797 HydrophobicContact CB-CZ 4Å; L580-F797 HydrophobicContact CD1-CD1 4.06Å; L580-F797 HydrophobicContact CD1-CE1 4.05Å; L580-F797 HydrophobicContact CG-CE1 4.27Å
581	L	95.2	Very high	92.5	Very high	34 Å²	34	53 Å²	53	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-35.3	178.7	-69.4	-177	0	0	0	112.3	Q577 Q578 I579 A584 Y591 V605	Q577-L581 HydrophobicContact CG-CD1 4.42Å; Q577-L581 VanDerWaalsContact NE2-CD1 3.3Å; Q577-L581 VanDerWaalsContact O-CG 3.31Å; Q577-L581 WeakPolarHBondContact O-CG 3.26Å; Q577-L581 PolarHBondContact O-N 2.67Å; Q578-L581 PolarHBondContact O-N 3.45Å; I579-L581 VanDerWaalsContact C-N 3.35Å; I579-L581 PolarHBondContact O-N 2.95Å; L581-A584 PolarHBondContact O-N 3.36Å; L581-Y591 HydrophobicContact CD2-CD1 4.28Å; L581-Y591 HydrophobicContact CD2-CE1 3.8Å; L581-V605 HydrophobicContact CD1-CB 4.46Å; L581-V605 HydrophobicContact CD2-CB 3.97Å; L581-V605 HydrophobicContact CD2-CG1 3.53Å
582	A	95.2	Very high	92.9	Very high	58 Å²	58	49.3 Å²	49.3	48%	0.479	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-45.3	175.4	0	0	0	0	0	111.7	Q578 I579 L580	Q578-A582 WeakPolarHBondContact O-CB 3.25Å; Q578-A582 PolarHBondContact O-N 2.79Å; I579-A582 PolarHBondContact O-N 2.85Å; I579-A582 VanDerWaalsContact O-N 3.17Å; L580-A582 VanDerWaalsContact C-N 3.32Å; L580-A582 PolarHBondContact O-N 3.37Å
583	C	95.6	Very high	93.3	Very high	48 Å²	48	50.8 Å²	50.8	32%	0.324	28%	0.278	S	S	.	.	H	α-helix	trans	-68	-34.7	175.7	-67.3	0	0	0	0	112.4	I579 L580 K585 S586 N587 L590 F797	I579-C583 PolarHBondContact O-N 2.71Å; I579-C583 PolarHBondContact O-SG 3.33Å; I579-C583 VanDerWaalsContact O-SG 3.39Å; L580-C583 PolarHBondContact O-N 2.64Å; C583-K585 PolarHBondContact O-N 3.29Å; C583-S586 PolarHBondContact O-N 3.45Å; C583-S586 VanDerWaalsContact O-N 3.07Å; C583-S586 PolarHBondContact O-OG 3.38Å; C583-N587 PolarHBondContact O-N 2.88Å; C583-L590 HydrophobicContact CB-CD1 3.57Å; C583-F797 HydrophobicContact CB-CE2 4.37Å
584	A	95.8	Very high	93.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-20.1	-178.5	0	0	0	0	0	113.4	L580 L581 S586 N587 E588 L590 Y591	L580-A584 WeakPolarHBondContact O-CB 2.91Å; L580-A584 PolarHBondContact O-N 3.39Å; L581-A584 PolarHBondContact O-N 3.36Å; A584-S586 VanDerWaalsContact C-N 3.26Å; A584-S586 PolarHBondContact O-N 3.37Å; A584-N587 WeakPolarHBondContact CA-O 3.21Å; A584-N587 CarbonylContact O-C 3.45Å; A584-E588 PolarHBondContact O-N 3.01Å; A584-L590 HydrophobicContact CB-CB 3.8Å; A584-Y591 HydrophobicContact CB-CD1 3.64Å; A584-Y591 HydrophobicContact CB-CD2 4.08Å; A584-Y591 HydrophobicContact CB-CE1 3.31Å; A584-Y591 HydrophobicContact CB-CE2 3.78Å; A584-Y591 HydrophobicContact CB-CG 4.01Å; A584-Y591 WeakPolarHBondContact O-CE2 3.37Å
585	K	93	Very high	93.9	Very high	167 Å²	167	49.4 Å²	49.4	73%	0.726	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.5	171.8	-66.5	175.7	-176.6	179.6	0	113.3	C583	C583-K585 PolarHBondContact O-N 3.29Å
586	S	93.9	Very high	94.1	Very high	114 Å²	114	49 Å²	49	80%	0.797	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-16.6	177	58.4	0	0	0	0	113.3	C583 A584	C583-S586 PolarHBondContact O-N 3.45Å; C583-S586 VanDerWaalsContact O-N 3.07Å; C583-S586 PolarHBondContact O-OG 3.38Å; A584-S586 VanDerWaalsContact C-N 3.26Å; A584-S586 PolarHBondContact O-N 3.37Å
587	N	94.7	Very high	94.2	Very high	55 Å²	55	54 Å²	54	29%	0.294	29%	0.289	S	S	.	.			trans	-133	87.7	173.3	-174.9	-0.9	0	0	0	110.8	C583 A584 S589 L590 D793	C583-N587 PolarHBondContact O-N 2.88Å; A584-N587 WeakPolarHBondContact CA-O 3.21Å; A584-N587 CarbonylContact O-C 3.45Å; N587-S589 PolarHBondContact ND2-OG 3.2Å; N587-S589 PolarHBondContact O-N 3.43Å; N587-S589 WeakPolarHBondContact OD1-CB 3.3Å; N587-S589 PolarHBondContact OD1-N 2.8Å; N587-S589 PolarHBondContact OD1-OG 3.47Å; N587-L590 HydrophobicContact CB-CD1 4.25Å; N587-L590 HydrophobicContact CB-CG 4.38Å; N587-L590 WeakPolarHBondContact O-CB 3.26Å; N587-L590 PolarHBondContact O-N 2.83Å; N587-D793 PolarHBondContact ND2-OD2 3Å
588	E	92.4	Very high	94.3	Very high	106 Å²	106	54.9 Å²	54.9	50%	0.495	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-61.7	-15.8	-176.8	-64.2	-174.8	-176.7	0	0	114.1	A584 L590 Y591 K596	A584-E588 PolarHBondContact O-N 3.01Å; E588-L590 PolarHBondContact O-N 2.95Å; E588-L590 VanDerWaalsContact O-N 3.13Å; E588-Y591 HydrophobicContact CB-CD2 4.19Å; E588-Y591 HydrophobicContact CG-CD2 4.43Å; E588-Y591 HydrophobicContact CG-CE2 4.39Å; E588-Y591 WeakPolarHBondContact O-CB 3.17Å; E588-Y591 PolarHBondContact O-N 3.49Å; E588-K596 IonicContact OE2-NZ 2.67Å; E588-K596 PolarHBondContact OE2-NZ 2.86Å
589	S	90.9	Very high	94.4	Very high	37 Å²	37	49.5 Å²	49.5	26%	0.259	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-63.5	-16.1	174.1	78.7	0	0	0	0	113.1	N587 Y591 D793	N587-S589 PolarHBondContact ND2-OG 3.2Å; N587-S589 PolarHBondContact O-N 3.43Å; N587-S589 WeakPolarHBondContact OD1-CB 3.3Å; N587-S589 PolarHBondContact OD1-N 2.8Å; N587-S589 PolarHBondContact OD1-OG 3.47Å; S589-Y591 VanDerWaalsContact C-N 3.33Å; S589-D793 WeakPolarHBondContact OG-CB 3.33Å; S589-D793 PolarHBondContact OG-OD2 3.14Å; S589-D793 VanDerWaalsContact OG-OD2 3.14Å
590	L	94.3	Very high	94.4	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-79.2	-9.7	173.7	-64.6	177.5	0	0	0	113.4	C583 A584 N587 E588 K609 D793 F797	C583-L590 HydrophobicContact CB-CD1 3.57Å; A584-L590 HydrophobicContact CB-CB 3.8Å; N587-L590 HydrophobicContact CB-CD1 4.25Å; N587-L590 HydrophobicContact CB-CG 4.38Å; N587-L590 WeakPolarHBondContact O-CB 3.26Å; N587-L590 PolarHBondContact O-N 2.83Å; E588-L590 PolarHBondContact O-N 2.95Å; E588-L590 VanDerWaalsContact O-N 3.13Å; L590-K609 VanDerWaalsContact O-CE 3.31Å; L590-K609 WeakPolarHBondContact O-CE 3.23Å; L590-K609 PolarHBondContact O-NZ 3.32Å; L590-D793 HydrophobicContact CD2-CB 4.2Å; L590-F797 HydrophobicContact CD1-CD2 4.48Å; L590-F797 HydrophobicContact CD2-CB 3.97Å; L590-F797 HydrophobicContact CD2-CG 4.3Å
591	Y	94.7	Very high	94.5	Very high	28 Å²	28	56.2 Å²	56.2	11%	0.11	31%	0.309	C	S	.	.	S	Bend	trans	-80	151.7	172.2	-70	-53.1	0	0	0	111.9	L581 A584 E588 S589 Q595 K596 A599 V605	L581-Y591 HydrophobicContact CD2-CD1 4.28Å; L581-Y591 HydrophobicContact CD2-CE1 3.8Å; A584-Y591 HydrophobicContact CB-CD1 3.64Å; A584-Y591 HydrophobicContact CB-CD2 4.08Å; A584-Y591 HydrophobicContact CB-CE1 3.31Å; A584-Y591 HydrophobicContact CB-CE2 3.78Å; A584-Y591 HydrophobicContact CB-CG 4.01Å; A584-Y591 WeakPolarHBondContact O-CE2 3.37Å; E588-Y591 HydrophobicContact CB-CD2 4.19Å; E588-Y591 HydrophobicContact CG-CD2 4.43Å; E588-Y591 HydrophobicContact CG-CE2 4.39Å; E588-Y591 WeakPolarHBondContact O-CB 3.17Å; E588-Y591 PolarHBondContact O-N 3.49Å; S589-Y591 VanDerWaalsContact C-N 3.33Å; Y591-Q595 HydrophobicContact CD1-CB 3.72Å; Y591-Q595 HydrophobicContact CG-CB 4.2Å; Y591-K596 HydrophobicContact CD2-CB 4.5Å; Y591-A599 HydrophobicContact CE2-CB 4.02Å; Y591-V605 HydrophobicContact CE1-CG1 4.3Å; Y591-V605 HydrophobicContact CE1-CG2 4.01Å
592	T	94	Very high	94.3	Very high	8 Å²	8	58 Å²	58	5%	0.049	34%	0.336	C	S	.	.			trans	-70.3	162.5	153	61	0	0	0	0	109.9	Y594 Q595 K596 K609 D820	T592-Y594 PolarHBondContact O-N 2.87Å; T592-Q595 PolarHBondContact O-N 3.39Å; T592-Q595 WeakPolarHBondContact OG1-CB 3.38Å; T592-Q595 WeakPolarHBondContact OG1-CG 3.43Å; T592-Q595 PolarHBondContact OG1-N 2.76Å; T592-Q595 PolarHBondContact OG1-OE1 3.24Å; T592-K596 WeakPolarHBondContact O-CB 3.39Å; T592-K596 PolarHBondContact O-N 2.96Å; T592-K609 HydrophobicContact CG2-CD 4.22Å; T592-K609 HydrophobicContact CG2-CG 3.87Å; T592-D820 VanDerWaalsContact C-OD2 3.31Å; T592-D820 WeakPolarHBondContact CA-OD2 3.46Å; T592-D820 WeakPolarHBondContact CB-OD2 3.37Å
593	A	93.6	Very high	94	Very high	38 Å²	38	61.8 Å²	61.8	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-53.6	-40.5	172.7	0	0	0	0	0	112	K596 E597 D820 T821	A593-K596 PolarHBondContact O-N 3.32Å; A593-E597 PolarHBondContact O-N 2.68Å; A593-D820 HydrophobicContact CB-CB 4.28Å; A593-D820 PolarHBondContact N-OD2 2.98Å; A593-T821 HydrophobicContact CB-CG2 3.74Å
594	Y	93.9	Very high	93.7	Very high	35 Å²	35	63.3 Å²	63.3	14%	0.137	36%	0.358	C	S	.	.	H	α-helix	trans	-73	-37	179.4	-58.5	-77.4	0	0	0	113.4	T592 K596 E597 Q598 G649 F650 P651 A658 D820	T592-Y594 PolarHBondContact O-N 2.87Å; Y594-K596 VanDerWaalsContact C-N 3.34Å; Y594-E597 PolarHBondContact O-N 3.31Å; Y594-Q598 PolarHBondContact O-N 3.44Å; Y594-G649 WeakPolarHBondContact CD1-O 3.28Å; Y594-F650 AromaticContact CD2-CD1 3.45Å; Y594-F650 HydrophobicContact CD2-CD1 3.45Å; Y594-F650 VanDerWaalsContact CD2-CD1 3.45Å; Y594-F650 AromaticContact CD2-CE1 3.51Å; Y594-F650 HydrophobicContact CD2-CE1 3.51Å; Y594-F650 HydrophobicContact CD2-CG 4.44Å; Y594-F650 AromaticContact CE2-CD1 3.61Å; Y594-F650 HydrophobicContact CE2-CD1 3.61Å; Y594-F650 AromaticContact CE2-CE1 3.81Å; Y594-F650 HydrophobicContact CE2-CE1 3.81Å; Y594-F650 HydrophobicContact CE2-CG 4.2Å; Y594-F650 HydrophobicContact CG-CD1 4.33Å; Y594-P651 WeakPolarHBondContact OH-CD 3.04Å; Y594-A658 HydrophobicContact CE2-CB 3.87Å; Y594-D820 HydrophobicContact CD2-CB 4.07Å; Y594-D820 HydrophobicContact CE2-CB 3.83Å
595	Q	95.3	Very high	93.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-66.4	-40.4	171.7	-76.2	174.1	-32	0	0	110.9	Y591 T592 E597 Q598 A599 V605 Y607	Y591-Q595 HydrophobicContact CD1-CB 3.72Å; Y591-Q595 HydrophobicContact CG-CB 4.2Å; T592-Q595 PolarHBondContact O-N 3.39Å; T592-Q595 WeakPolarHBondContact OG1-CB 3.38Å; T592-Q595 WeakPolarHBondContact OG1-CG 3.43Å; T592-Q595 PolarHBondContact OG1-N 2.76Å; T592-Q595 PolarHBondContact OG1-OE1 3.24Å; Q595-E597 VanDerWaalsContact C-N 3.32Å; Q595-E597 PolarHBondContact O-N 3.23Å; Q595-Q598 WeakPolarHBondContact O-CB 3.48Å; Q595-Q598 PolarHBondContact O-N 2.89Å; Q595-A599 PolarHBondContact O-N 3.05Å; Q595-V605 HydrophobicContact CB-CG1 3.66Å; Q595-V605 HydrophobicContact CG-CG1 3.63Å; Q595-Y607 PolarHBondContact NE2-O 2.88Å
596	K	95.1	Very high	93.8	Very high	65 Å²	65	58 Å²	58	28%	0.283	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-40.7	176	178.3	166	173.2	57.2	0	111.2	E588 Y591 T592 A593 Y594 Q598 A599 D600	E588-K596 IonicContact OE2-NZ 2.67Å; E588-K596 PolarHBondContact OE2-NZ 2.86Å; Y591-K596 HydrophobicContact CD2-CB 4.5Å; T592-K596 WeakPolarHBondContact O-CB 3.39Å; T592-K596 PolarHBondContact O-N 2.96Å; A593-K596 PolarHBondContact O-N 3.32Å; Y594-K596 VanDerWaalsContact C-N 3.34Å; K596-Q598 VanDerWaalsContact C-N 3.31Å; K596-Q598 PolarHBondContact O-N 3.25Å; K596-A599 PolarHBondContact O-N 3.25Å; K596-A599 VanDerWaalsContact O-N 3.13Å; K596-D600 VanDerWaalsContact CE-OD2 3.26Å; K596-D600 WeakPolarHBondContact CE-OD2 3.41Å; K596-D600 WeakPolarHBondContact CG-OD2 3.45Å; K596-D600 VanDerWaalsContact NZ-CG 3.33Å; K596-D600 IonicContact NZ-OD1 3.37Å; K596-D600 PolarHBondContact NZ-OD1 3.2Å; K596-D600 IonicContact NZ-OD2 3.63Å; K596-D600 PolarHBondContact NZ-OD2 3.5Å; K596-D600 WeakPolarHBondContact O-CB 2.99Å; K596-D600 PolarHBondContact O-N 2.77Å
597	E	94.7	Very high	93.8	Very high	117 Å²	117	55.7 Å²	55.7	55%	0.547	31%	0.314	S	S	.	.	H	α-helix	trans	-57.8	-43.1	173.7	-172.7	-176.5	171.3	0	0	111.9	A593 Y594 Q595 L601	A593-E597 PolarHBondContact O-N 2.68Å; Y594-E597 PolarHBondContact O-N 3.31Å; Q595-E597 VanDerWaalsContact C-N 3.32Å; Q595-E597 PolarHBondContact O-N 3.23Å; E597-L601 HydrophobicContact CG-CD1 4.45Å; E597-L601 VanDerWaalsContact O-CG 3.23Å; E597-L601 WeakPolarHBondContact O-CG 3.41Å; E597-L601 PolarHBondContact O-N 3.31Å
598	Q	94.7	Very high	93.8	Very high	25 Å²	25	54.2 Å²	54.2	12%	0.117	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-43.9	174.5	-66.2	-173.7	-52.9	0	0	112	Y594 Q595 K596 L601 K603 V605 T606 Y607	Y594-Q598 PolarHBondContact O-N 3.44Å; Q595-Q598 WeakPolarHBondContact O-CB 3.48Å; Q595-Q598 PolarHBondContact O-N 2.89Å; K596-Q598 VanDerWaalsContact C-N 3.31Å; K596-Q598 PolarHBondContact O-N 3.25Å; Q598-L601 PolarHBondContact O-N 2.94Å; Q598-K603 WeakPolarHBondContact O-CB 3.27Å; Q598-K603 PolarHBondContact O-N 3.41Å; Q598-K603 VanDerWaalsContact O-N 3.09Å; Q598-V605 HydrophobicContact CB-CG2 4.32Å; Q598-T606 PolarHBondContact NE2-OG1 2.69Å; Q598-Y607 HydrophobicContact CG-CD2 3.85Å; Q598-Y607 HydrophobicContact CG-CE2 3.82Å; Q598-Y607 VanDerWaalsContact OE1-CD2 3.25Å; Q598-Y607 VanDerWaalsContact OE1-N 3.08Å
599	A	95.2	Very high	93.7	Very high	29 Å²	29	51.7 Å²	51.7	24%	0.24	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-44.6	180	0	0	0	0	0	112.4	Y591 Q595 K596 L601 G602 V605	Y591-A599 HydrophobicContact CE2-CB 4.02Å; Q595-A599 PolarHBondContact O-N 3.05Å; K596-A599 PolarHBondContact O-N 3.25Å; K596-A599 VanDerWaalsContact O-N 3.13Å; A599-L601 PolarHBondContact O-N 2.99Å; A599-G602 WeakPolarHBondContact O-CA 3.38Å; A599-G602 PolarHBondContact O-N 2.83Å; A599-V605 HydrophobicContact CB-CG2 3.8Å
600	D	96.1	Very high	93.6	Very high	102 Å²	102	50.5 Å²	50.5	55%	0.545	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-27.2	-179.5	-69.6	-8	0	0	0	111.6	K596 G602	K596-D600 VanDerWaalsContact CE-OD2 3.26Å; K596-D600 WeakPolarHBondContact CE-OD2 3.41Å; K596-D600 WeakPolarHBondContact CG-OD2 3.45Å; K596-D600 VanDerWaalsContact NZ-CG 3.33Å; K596-D600 IonicContact NZ-OD1 3.37Å; K596-D600 PolarHBondContact NZ-OD1 3.2Å; K596-D600 IonicContact NZ-OD2 3.63Å; K596-D600 PolarHBondContact NZ-OD2 3.5Å; K596-D600 WeakPolarHBondContact O-CB 2.99Å; K596-D600 PolarHBondContact O-N 2.77Å; D600-G602 PolarHBondContact O-N 2.88Å
601	L	95.3	Very high	93.2	Very high	107 Å²	107	52.4 Å²	52.4	56%	0.56	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	0.3	170.9	-68.9	173.3	0	0	0	113.6	E597 Q598 A599 K603	E597-L601 HydrophobicContact CG-CD1 4.45Å; E597-L601 VanDerWaalsContact O-CG 3.23Å; E597-L601 WeakPolarHBondContact O-CG 3.41Å; E597-L601 PolarHBondContact O-N 3.31Å; Q598-L601 PolarHBondContact O-N 2.94Å; A599-L601 PolarHBondContact O-N 2.99Å; L601-K603 HydrophobicContact CB-CD 4.2Å; L601-K603 HydrophobicContact CB-CG 4.07Å; L601-K603 HydrophobicContact CD1-CD 4.36Å; L601-K603 PolarHBondContact O-N 3.05Å
602	G	91.3	Very high	93	Very high	73 Å²	73	51.4 Å²	51.4	75%	0.753	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	17.3	-174.9	0	0	0	0	0	113.7	A599 D600	A599-G602 WeakPolarHBondContact O-CA 3.38Å; A599-G602 PolarHBondContact O-N 2.83Å; D600-G602 PolarHBondContact O-N 2.88Å
603	K	88.4	Confident	92.8	Very high	136 Å²	136	51.1 Å²	51.1	59%	0.591	29%	0.289	S	S	*	.			trans	-89.2	157.7	177.9	-63.1	179.1	-179.4	178.5	0	110.2	Q598 L601 V605	Q598-K603 WeakPolarHBondContact O-CB 3.27Å; Q598-K603 PolarHBondContact O-N 3.41Å; Q598-K603 VanDerWaalsContact O-N 3.09Å; L601-K603 HydrophobicContact CB-CD 4.2Å; L601-K603 HydrophobicContact CB-CG 4.07Å; L601-K603 HydrophobicContact CD1-CD 4.36Å; L601-K603 PolarHBondContact O-N 3.05Å; K603-V605 PolarHBondContact O-N 3.4Å
604	A	91.3	Very high	92.8	Very high	81 Å²	81	50.4 Å²	50.4	67%	0.669	28%	0.279	S	S	*	.			trans	-59.8	132.5	166.7	0	0	0	0	0	109.5	T606	A604-T606 PolarHBondContact O-N 3.34Å
605	V	95.3	Very high	92.7	Very high	26 Å²	26	50.7 Å²	50.7	16%	0.158	29%	0.285	C	S	.	.			trans	-77.3	110.3	175.9	-177.9	0	0	0	0	108.4	L581 Y591 Q595 Q598 A599 K603	L581-V605 HydrophobicContact CD1-CB 4.46Å; L581-V605 HydrophobicContact CD2-CB 3.97Å; L581-V605 HydrophobicContact CD2-CG1 3.53Å; Y591-V605 HydrophobicContact CE1-CG1 4.3Å; Y591-V605 HydrophobicContact CE1-CG2 4.01Å; Q595-V605 HydrophobicContact CB-CG1 3.66Å; Q595-V605 HydrophobicContact CG-CG1 3.63Å; Q598-V605 HydrophobicContact CB-CG2 4.32Å; A599-V605 HydrophobicContact CB-CG2 3.8Å; K603-V605 PolarHBondContact O-N 3.4Å
606	T	94	Very high	92.7	Very high	30 Å²	30	50.9 Å²	50.9	18%	0.184	29%	0.286	C	S	.	.			trans	-106.2	-25.8	-175.1	60.2	0	0	0	0	112.5	I546 G547 Q598 A604	I546-T606 WeakPolarHBondContact O-CB 3.45Å; G547-T606 PolarHBondContact O-OG1 2.98Å; Q598-T606 PolarHBondContact NE2-OG1 2.69Å; A604-T606 PolarHBondContact O-N 3.34Å
607	Y	95.1	Very high	92.7	Very high	65 Å²	65	48.6 Å²	48.6	26%	0.255	28%	0.276	S	S	.	.			trans	-64.9	145.1	174.7	-61.1	-41.3	0	0	0	112.2	V548 Q577 Q595 Q598 F647 G649	V548-Y607 HydrophobicContact CG2-CD1 4.05Å; V548-Y607 HydrophobicContact CG2-CE1 4.25Å; Q577-Y607 PolarHBondContact NE2-O 2.68Å; Q577-Y607 VanDerWaalsContact NE2-O 3.15Å; Q595-Y607 PolarHBondContact NE2-O 2.88Å; Q598-Y607 HydrophobicContact CG-CD2 3.85Å; Q598-Y607 HydrophobicContact CG-CE2 3.82Å; Q598-Y607 VanDerWaalsContact OE1-CD2 3.25Å; Q598-Y607 VanDerWaalsContact OE1-N 3.08Å; Y607-F647 CarbonylContact C-O 3.55Å; Y607-F647 WeakPolarHBondContact CA-O 3.12Å; Y607-G649 VanDerWaalsContact CD1-CA 3.43Å; Y607-G649 VanDerWaalsContact CD1-N 3.28Å; Y607-G649 VanDerWaalsContact CZ-CA 3.5Å
608	R	93.8	Very high	92.7	Very high	24 Å²	24	43 Å²	43	9%	0.091	25%	0.25	C	S	.	.			trans	-109.3	161.8	-173.6	-53.2	179.6	58.4	100.5	-6.5	112.9	T545 N574 Q577 S610 L611 S612 F647 L648	T545-R608 HydrophobicContact CG2-CG 4.04Å; N574-R608 PolarHBondContact OD1-NH1 2.82Å; N574-R608 PolarHBondContact OD1-NH2 3.48Å; Q577-R608 HydrophobicContact CG-CG 4.42Å; R608-S610 VanDerWaalsContact CB-O 3.29Å; R608-S610 WeakPolarHBondContact CB-O 3.44Å; R608-S610 PolarHBondContact NE-O 2.83Å; R608-S610 PolarHBondContact NH2-OG 2.66Å; R608-L611 PolarHBondContact NH2-O 2.85Å; R608-S612 PolarHBondContact NH1-OG 3.11Å; R608-F647 HydrophobicContact CB-CD2 4.05Å; R608-F647 HydrophobicContact CG-CD2 4.42Å; R608-F647 PolarHBondContact N-O 3.35Å; R608-L648 VanDerWaalsContact O-CD2 3.22Å; R608-L648 WeakPolarHBondContact O-CD2 3.26Å
609	K	90.9	Very high	92.7	Very high	52 Å²	52	41.8 Å²	41.8	23%	0.226	25%	0.245	C	C	.	.	S	Bend	trans	-105.7	-5.2	165.4	-75.6	-176.3	167	-168.2	0	113.5	Y576 L580 L590 T592 S794	Y576-K609 HydrophobicContact CE1-CB 4.12Å; L580-K609 HydrophobicContact CD1-CD 3.64Å; L580-K609 HydrophobicContact CD2-CD 4.03Å; L590-K609 VanDerWaalsContact O-CE 3.31Å; L590-K609 WeakPolarHBondContact O-CE 3.23Å; L590-K609 PolarHBondContact O-NZ 3.32Å; T592-K609 HydrophobicContact CG2-CD 4.22Å; T592-K609 HydrophobicContact CG2-CG 3.87Å; K609-S794 PolarHBondContact NZ-OG 2.99Å; K609-S794 VanDerWaalsContact NZ-OG 3.14Å
610	S	88	Confident	92.6	Very high	12 Å²	12	43.4 Å²	43.4	8%	0.084	25%	0.245	C	C	.	.	S	Bend	trans	-135.1	159.9	-179.5	64.6	0	0	0	0	110	M573 R608 F647	M573-S610 PolarHBondContact O-OG 3.23Å; R608-S610 VanDerWaalsContact CB-O 3.29Å; R608-S610 WeakPolarHBondContact CB-O 3.44Å; R608-S610 PolarHBondContact NE-O 2.83Å; R608-S610 PolarHBondContact NH2-OG 2.66Å; S610-F647 WeakPolarHBondContact O-CE2 2.97Å
611	L	87.2	Confident	92.5	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.251	23%	0.233	S	C	.	.			trans	-55.8	142.8	170.5	-62.9	174.5	0	0	0	110.2	R608 I639 N640 K642 F647	R608-L611 PolarHBondContact NH2-O 2.85Å; L611-I639 HydrophobicContact CD1-CD1 4.46Å; L611-N640 HydrophobicContact CD2-CB 4.24Å; L611-K642 HydrophobicContact CD2-CB 4.15Å; L611-F647 HydrophobicContact CD2-CE1 4.42Å; L611-F647 HydrophobicContact CD2-CE2 4.38Å; L611-F647 HydrophobicContact CD2-CZ 3.74Å
612	S	89	Confident	92.4	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.042	21%	0.214	C	C	.	.			trans	-94.2	156.9	165.2	-156.7	0	0	0	0	109.6	R608 I639 N640	R608-S612 PolarHBondContact NH1-OG 3.11Å; S612-I639 WeakPolarHBondContact O-CA 3.12Å; S612-N640 WeakPolarHBondContact CA-OD1 3.35Å; S612-N640 WeakPolarHBondContact CB-OD1 3.36Å; S612-N640 PolarHBondContact N-OD1 3.48Å; S612-N640 PolarHBondContact O-N 3.47Å; S612-N640 PolarHBondContact O-OD1 2.78Å
613	G	91.1	Very high	92.2	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	174.1	170.6	0	0	0	0	0	113.4	I570 N574 F638	I570-G613 VanDerWaalsContact CG1-C 3.43Å; I570-G613 WeakPolarHBondContact CG1-O 2.91Å; N574-G613 PolarHBondContact ND2-O 2.97Å; G613-F638 CarbonylContact C-O 3.5Å; G613-F638 WeakPolarHBondContact CA-O 3.21Å
614	F	92.1	Very high	92.1	Very high	24 Å²	24	38.3 Å²	38.3	11%	0.105	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157.9	-178.4	53.4	-96.1	0	0	0	110.1	P448 F473 Q487 I544 N637 F638	P448-F614 HydrophobicContact CB-CD2 4.37Å; P448-F614 HydrophobicContact CB-CE2 4.09Å; P448-F614 HydrophobicContact CG-CD2 4.01Å; P448-F614 HydrophobicContact CG-CE2 4.1Å; F473-F614 HydrophobicContact CE1-CZ 4.46Å; F473-F614 HydrophobicContact CE2-CE2 4.11Å; F473-F614 HydrophobicContact CE2-CZ 4.46Å; F473-F614 AromaticContact CZ-CE2 3.66Å; F473-F614 HydrophobicContact CZ-CE2 3.66Å; F473-F614 AromaticContact CZ-CZ 3.7Å; F473-F614 HydrophobicContact CZ-CZ 3.7Å; Q487-F614 HydrophobicContact CB-CE1 4.31Å; Q487-F614 HydrophobicContact CG-CE1 3.92Å; I544-F614 HydrophobicContact CB-CE1 4.05Å; I544-F614 HydrophobicContact CG2-CE1 3.95Å; I544-F614 HydrophobicContact CG2-CZ 4.3Å; F614-N637 WeakPolarHBondContact O-CA 3.31Å; F614-F638 HydrophobicContact CD2-CB 4.35Å; F614-F638 HydrophobicContact CE1-CD1 4.48Å; F614-F638 HydrophobicContact CE2-CB 3.93Å; F614-F638 AromaticContact CE2-CD1 3.83Å; F614-F638 HydrophobicContact CE2-CD1 3.83Å; F614-F638 HydrophobicContact CE2-CG 4.3Å; F614-F638 HydrophobicContact CZ-CB 4.11Å; F614-F638 AromaticContact CZ-CD1 3.55Å; F614-F638 HydrophobicContact CZ-CD1 3.55Å; F614-F638 HydrophobicContact CZ-CE1 4.26Å; F614-F638 HydrophobicContact CZ-CG 4.07Å; F614-F638 PolarHBondContact N-O 3.34Å; F614-F638 VanDerWaalsContact N-O 3.12Å; F614-F638 PolarHBondContact O-N 2.92Å
615	P	92.3	Very high	91.6	Very high	41 Å²	41	36 Å²	36	27%	0.266	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	145.3	177.5	29.8	-35.1	0	0	0	111.9	I567 Y636	I567-P615 HydrophobicContact CD1-CB 4.48Å; I567-P615 HydrophobicContact CG1-CB 4.46Å; P615-Y636 CarbonylContact C-O 3.57Å; P615-Y636 WeakPolarHBondContact CA-O 3.44Å
616	E	94.9	Very high	90.8	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.4	173.5	68.7	-178.6	179.8	0	0	110.9	P448 I450 F473 H557 Y636 F638	P448-E616 HydrophobicContact CB-CB 4.03Å; P448-E616 WeakPolarHBondContact O-CA 3.49Å; I450-E616 HydrophobicContact CG2-CG 4.2Å; F473-E616 WeakPolarHBondContact CE2-OE2 3.35Å; H557-E616 IonicContact CE1-OE1 2.71Å; H557-E616 IonicContact CG-OE1 2.77Å; H557-E616 IonicContact ND1-OE1 3.06Å; H557-E616 PolarHBondContact ND1-OE1 2.93Å; E616-Y636 PolarHBondContact N-O 2.92Å; E616-Y636 PolarHBondContact O-N 3.47Å; E616-F638 HydrophobicContact CG-CB 4.35Å; E616-F638 WeakPolarHBondContact OE2-CD1 3.12Å
617	I	95.2	Very high	90.1	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.2	176	-48.1	176.9	0	0	0	108.6	V440 L444 P448 I449 I450 F619 F632	V440-I617 HydrophobicContact CG1-CD1 3.57Å; V440-I617 HydrophobicContact CG1-CG2 4.43Å; L444-I617 HydrophobicContact CD1-CD1 3.73Å; P448-I617 PolarHBondContact O-N 3.18Å; I449-I617 WeakPolarHBondContact CA-O 3.36Å; I449-I617 HydrophobicContact CG1-CB 4.32Å; I450-I617 PolarHBondContact N-O 3.37Å; I617-F619 HydrophobicContact CB-CE2 4.08Å; I617-F619 HydrophobicContact CG2-CD2 4.12Å; I617-F619 HydrophobicContact CG2-CE2 3.39Å; I617-F619 HydrophobicContact CG2-CZ 4Å; I617-F632 HydrophobicContact CG2-CD2 4Å; I617-F632 HydrophobicContact CG2-CE2 3.77Å
618	G	95.3	Very high	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	-175.9	0	0	0	0	0	112.8	L633 S634	G618-L633 PolarHBondContact O-N 3.16Å; G618-S634 PolarHBondContact N-O 2.78Å; G618-S634 PolarHBondContact O-N 3.4Å
619	F	95.1	Very high	89.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	160.1	174.3	-68.2	-98.9	0	0	0	111.2	Y437 V440 I449 I450 V451 W452 I617 P630 T631 F632	Y437-F619 HydrophobicContact CD2-CB 4.44Å; Y437-F619 AromaticContact CD2-CD1 3.65Å; Y437-F619 HydrophobicContact CD2-CD1 3.65Å; Y437-F619 AromaticContact CD2-CD2 3.86Å; Y437-F619 HydrophobicContact CD2-CD2 3.86Å; Y437-F619 AromaticContact CD2-CE1 3.74Å; Y437-F619 HydrophobicContact CD2-CE1 3.74Å; Y437-F619 AromaticContact CD2-CE2 3.9Å; Y437-F619 HydrophobicContact CD2-CE2 3.9Å; Y437-F619 AromaticContact CD2-CG 3.73Å; Y437-F619 HydrophobicContact CD2-CG 3.73Å; Y437-F619 AromaticContact CD2-CZ 3.86Å; Y437-F619 HydrophobicContact CD2-CZ 3.86Å; Y437-F619 HydrophobicContact CE2-CD2 4.22Å; Y437-F619 HydrophobicContact CE2-CE2 4.45Å; Y437-F619 HydrophobicContact CE2-CG 4.31Å; Y437-F619 HydrophobicContact CG-CD1 4.32Å; Y437-F619 HydrophobicContact CG-CE1 4.25Å; V440-F619 HydrophobicContact CB-CZ 4.08Å; V440-F619 HydrophobicContact CG1-CE2 4.26Å; V440-F619 HydrophobicContact CG1-CZ 4.06Å; V440-F619 HydrophobicContact CG2-CZ 4.15Å; I449-F619 HydrophobicContact CG2-CD2 3.86Å; I449-F619 HydrophobicContact CG2-CE2 4.11Å; I450-F619 PolarHBondContact O-N 2.99Å; V451-F619 WeakPolarHBondContact CA-O 3.35Å; V451-F619 HydrophobicContact CG2-CB 4.23Å; W452-F619 PolarHBondContact N-O 3.34Å; I617-F619 HydrophobicContact CB-CE2 4.08Å; I617-F619 HydrophobicContact CG2-CD2 4.12Å; I617-F619 HydrophobicContact CG2-CE2 3.39Å; I617-F619 HydrophobicContact CG2-CZ 4Å; F619-P630 HydrophobicContact CB-CB 3.65Å; F619-P630 HydrophobicContact CD1-CB 4.23Å; F619-P630 HydrophobicContact CG-CB 4.27Å; F619-T631 CarbonylContact C-O 3.58Å; F619-T631 WeakPolarHBondContact CA-O 3.1Å; F619-T631 WeakPolarHBondContact CB-O 3.34Å; F619-F632 VanDerWaalsContact CD1-CA 3.5Å; F619-F632 HydrophobicContact CD1-CB 4.1Å; F619-F632 HydrophobicContact CE1-CB 3.85Å; F619-F632 HydrophobicContact CE1-CD2 4.27Å; F619-F632 HydrophobicContact CZ-CD2 4.2Å
620	R	93.9	Very high	89.3	Confident	63 Å²	63	42 Å²	42	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.1	179.5	-179.9	173.8	169.2	-131.7	0.1	111.4	W452 I454 D455 P630 T631 L633	W452-R620 CarbonylContact O-C 3.56Å; W452-R620 WeakPolarHBondContact O-CA 3.26Å; I454-R620 HydrophobicContact CG2-CG 4.1Å; I454-R620 PolarHBondContact O-NE 2.93Å; I454-R620 PolarHBondContact O-NH2 3.34Å; D455-R620 PolarHBondContact O-NH2 3.07Å; R620-P630 CarbonylContact O-C 3.52Å; R620-P630 WeakPolarHBondContact O-CA 3.44Å; R620-T631 PolarHBondContact N-O 3.28Å; R620-T631 PolarHBondContact O-N 3.23Å; R620-L633 HydrophobicContact CB-CD1 3.85Å; R620-L633 HydrophobicContact CB-CD2 3.66Å; R620-L633 HydrophobicContact CB-CG 3.69Å; R620-L633 HydrophobicContact CG-CD2 4.48Å
621	R	93.3	Very high	89.4	Confident	80 Å²	80	43.9 Å²	43.9	30%	0.302	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.8	163.6	-168.4	177	-77.2	131.7	-4.4	108.7	V451 W452 N453 I454 S625	V451-R621 HydrophobicContact CG1-CB 4.3Å; W452-R621 PolarHBondContact O-N 3.02Å; N453-R621 CarbonylContact C-O 3.58Å; N453-R621 WeakPolarHBondContact CA-O 3.48Å; N453-R621 HydrophobicContact CB-CB 4.45Å; N453-R621 PolarHBondContact OD1-O 3.44Å; I454-R621 PolarHBondContact N-O 3.01Å; R621-S625 WeakPolarHBondContact CG-OG 3.42Å
622	T	92.8	Very high	89.6	Confident	27 Å²	27	42.8 Å²	42.8	17%	0.166	27%	0.269	C	S	.	.			trans	-121	161.4	172.4	67	0	0	0	0	110.2	D455 T624 S625	D455-T622 WeakPolarHBondContact OD1-CA 3.33Å; D455-T622 WeakPolarHBondContact OD1-CB 3.19Å; T622-T624 PolarHBondContact O-N 2.96Å; T622-T624 PolarHBondContact OG1-OG1 2.81Å; T622-S625 PolarHBondContact N-OG 3.04Å; T622-S625 WeakPolarHBondContact O-CB 3.42Å; T622-S625 PolarHBondContact O-N 2.87Å; T622-S625 PolarHBondContact O-OG 2.83Å; T622-S625 PolarHBondContact OG1-N 2.87Å
623	S	88	Confident	89.7	Confident	75 Å²	75	42.8 Å²	42.8	52%	0.524	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31	172.8	59.6	0	0	0	0	112.6	D455	D455-S623 WeakPolarHBondContact OD1-CB 3.1Å; D455-S623 PolarHBondContact OD1-N 3.18Å; D455-S623 PolarHBondContact OD1-OG 3.17Å; D455-S623 VanDerWaalsContact OD2-CB 3.32Å; D455-S623 WeakPolarHBondContact OD2-CB 3.36Å; D455-S623 PolarHBondContact OD2-OG 2.87Å
624	T	86.2	Confident	89.6	Confident	128 Å²	128	43 Å²	43	79%	0.785	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-82	-14.7	177.8	62.4	0	0	0	0	114.2	T622 G626	T622-T624 PolarHBondContact O-N 2.96Å; T622-T624 PolarHBondContact OG1-OG1 2.81Å; T624-G626 VanDerWaalsContact C-N 3.25Å; T624-G626 PolarHBondContact O-N 3.05Å
625	S	81.2	Confident	89.5	Confident	33 Å²	33	44.8 Å²	44.8	23%	0.231	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-72.7	-16.6	-176.6	67.3	0	0	0	0	113.6	R621 T622 T627 A628	R621-S625 WeakPolarHBondContact CG-OG 3.42Å; T622-S625 PolarHBondContact N-OG 3.04Å; T622-S625 WeakPolarHBondContact O-CB 3.42Å; T622-S625 PolarHBondContact O-N 2.87Å; T622-S625 PolarHBondContact O-OG 2.83Å; T622-S625 PolarHBondContact OG1-N 2.87Å; S625-T627 PolarHBondContact O-N 3.01Å; S625-A628 WeakPolarHBondContact O-CB 3.22Å; S625-A628 PolarHBondContact O-N 3.43Å
626	G	77.7	Confident	89.5	Confident	55 Å²	55	42.9 Å²	42.9	57%	0.567	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	-122.4	179.1	0	0	0	0	0	112.1	T624	T624-G626 VanDerWaalsContact C-N 3.25Å; T624-G626 PolarHBondContact O-N 3.05Å
627	T	79.9	Confident	89.3	Confident	153 Å²	153	42.8 Å²	42.8	94%	0.939	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	7.8	178.1	60	0	0	0	0	113.6	S625	S625-T627 PolarHBondContact O-N 3.01Å
628	A	83.6	Confident	89.3	Confident	52 Å²	52	42 Å²	42	43%	0.43	26%	0.263	S	S	.	.	S	Bend	trans	-62.5	151.1	177.7	0	0	0	0	0	111.5	S625	S625-A628 WeakPolarHBondContact O-CB 3.22Å; S625-A628 PolarHBondContact O-N 3.43Å
629	A	87.3	Confident	89.1	Confident	57 Å²	57	42.3 Å²	42.3	47%	0.471	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-60	143.3	172.9	0	0	0	0	0	110.1
630	P	92.3	Very high	89	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.039	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-55.7	145	172.9	-25.3	35.5	0	0	0	112.4	Y437 V451 F619 R620	Y437-P630 HydrophobicContact CD1-CG 4.35Å; Y437-P630 HydrophobicContact CD2-CB 4.12Å; Y437-P630 HydrophobicContact CD2-CG 4.12Å; Y437-P630 HydrophobicContact CE1-CG 4.35Å; Y437-P630 HydrophobicContact CE2-CB 4.45Å; Y437-P630 HydrophobicContact CE2-CG 4.11Å; Y437-P630 HydrophobicContact CG-CB 4.39Å; Y437-P630 HydrophobicContact CG-CG 4.23Å; V451-P630 HydrophobicContact CG1-CB 3.92Å; V451-P630 HydrophobicContact CG1-CG 3.75Å; V451-P630 HydrophobicContact CG2-CB 4.42Å; V451-P630 HydrophobicContact CG2-CG 4.15Å; F619-P630 HydrophobicContact CB-CB 3.65Å; F619-P630 HydrophobicContact CD1-CB 4.23Å; F619-P630 HydrophobicContact CG-CB 4.27Å; R620-P630 CarbonylContact O-C 3.52Å; R620-P630 WeakPolarHBondContact O-CA 3.44Å
631	T	90	Very high	88.8	Confident	52 Å²	52	40 Å²	40	32%	0.319	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.3	178	-75.3	0	0	0	0	110.6	D432 F619 R620	D432-T631 HydrophobicContact CB-CG2 3.11Å; F619-T631 CarbonylContact C-O 3.58Å; F619-T631 WeakPolarHBondContact CA-O 3.1Å; F619-T631 WeakPolarHBondContact CB-O 3.34Å; R620-T631 PolarHBondContact N-O 3.28Å; R620-T631 PolarHBondContact O-N 3.23Å
632	F	91.2	Very high	88.5	Confident	25 Å²	25	39.7 Å²	39.7	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	136.3	173.8	176.2	-96.4	0	0	0	111.6	P431 I435 I617 F619 I635	P431-F632 HydrophobicContact CB-CD1 3.84Å; P431-F632 HydrophobicContact CB-CE1 4.36Å; I435-F632 HydrophobicContact CB-CB 3.65Å; I435-F632 HydrophobicContact CB-CD1 4.11Å; I435-F632 HydrophobicContact CB-CD2 4.26Å; I435-F632 HydrophobicContact CB-CG 3.75Å; I435-F632 HydrophobicContact CD1-CD1 3.35Å; I435-F632 HydrophobicContact CD1-CD2 4.16Å; I435-F632 HydrophobicContact CD1-CE1 3.34Å; I435-F632 HydrophobicContact CD1-CE2 4.15Å; I435-F632 HydrophobicContact CD1-CG 3.75Å; I435-F632 HydrophobicContact CD1-CZ 3.75Å; I435-F632 HydrophobicContact CG1-CD1 4.28Å; I435-F632 HydrophobicContact CG1-CG 4.35Å; I435-F632 HydrophobicContact CG2-CB 3.77Å; I435-F632 HydrophobicContact CG2-CD1 4.45Å; I435-F632 HydrophobicContact CG2-CD2 3.71Å; I435-F632 HydrophobicContact CG2-CE2 4.4Å; I435-F632 HydrophobicContact CG2-CG 3.72Å; I617-F632 HydrophobicContact CG2-CD2 4Å; I617-F632 HydrophobicContact CG2-CE2 3.77Å; F619-F632 VanDerWaalsContact CD1-CA 3.5Å; F619-F632 HydrophobicContact CD1-CB 4.1Å; F619-F632 HydrophobicContact CE1-CB 3.85Å; F619-F632 HydrophobicContact CE1-CD2 4.27Å; F619-F632 HydrophobicContact CZ-CD2 4.2Å; F632-I635 HydrophobicContact CZ-CG1 4.43Å
633	L	89.7	Confident	88.3	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-63.1	171.2	-66.8	-172	0	0	0	111.7	W452 L457 P510 G618 R620 Y636	W452-L633 HydrophobicContact CE3-CD1 3.78Å; W452-L633 HydrophobicContact CZ3-CD1 3.93Å; L457-L633 HydrophobicContact CD1-CD1 4.3Å; L457-L633 HydrophobicContact CD1-CD2 4.17Å; L457-L633 HydrophobicContact CD2-CD1 4.27Å; P510-L633 HydrophobicContact CB-CB 4.2Å; P510-L633 HydrophobicContact CB-CD2 3.74Å; P510-L633 HydrophobicContact CB-CG 4.43Å; P510-L633 HydrophobicContact CG-CD2 4.27Å; G618-L633 PolarHBondContact O-N 3.16Å; R620-L633 HydrophobicContact CB-CD1 3.85Å; R620-L633 HydrophobicContact CB-CD2 3.66Å; R620-L633 HydrophobicContact CB-CG 3.69Å; R620-L633 HydrophobicContact CG-CD2 4.48Å; L633-Y636 HydrophobicContact CB-CE2 4.23Å
634	S	89.3	Confident	88.4	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	-178	-177	-159.2	0	0	0	0	110.6	V559 G618 Y636	V559-S634 WeakPolarHBondContact CG2-OG 3.29Å; G618-S634 PolarHBondContact N-O 2.78Å; G618-S634 PolarHBondContact O-N 3.4Å; S634-Y636 WeakPolarHBondContact O-CD2 3.38Å; S634-Y636 WeakPolarHBondContact O-CE2 3.12Å
635	I	90.5	Very high	88.7	Confident	63 Å²	63	32.8 Å²	32.8	32%	0.323	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.3	165.1	-59.7	168.6	0	0	0	107.7	N560 I567 F632	N560-I635 HydrophobicContact CB-CB 4.31Å; N560-I635 HydrophobicContact CB-CG2 4.05Å; N560-I635 WeakPolarHBondContact CB-O 3.49Å; N560-I635 PolarHBondContact N-O 2.96Å; N560-I635 PolarHBondContact OD1-O 2.81Å; I567-I635 HydrophobicContact CD1-CG2 4.39Å; F632-I635 HydrophobicContact CZ-CG1 4.43Å
636	Y	92.1	Very high	89.2	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	159.1	-178.3	-59.1	-94.9	0	0	0	110.5	W452 P510 K512 F514 H557 K558 V559 P615 E616 L633 S634	W452-Y636 HydrophobicContact CH2-CD1 4.43Å; W452-Y636 AromaticContact CH2-CD2 3.75Å; W452-Y636 HydrophobicContact CH2-CD2 3.75Å; W452-Y636 HydrophobicContact CH2-CE1 4.46Å; W452-Y636 AromaticContact CH2-CE2 3.78Å; W452-Y636 HydrophobicContact CH2-CE2 3.78Å; W452-Y636 HydrophobicContact CH2-CG 4.1Å; W452-Y636 HydrophobicContact CZ3-CD2 4.09Å; W452-Y636 AromaticContact CZ3-CE2 3.67Å; W452-Y636 HydrophobicContact CZ3-CE2 3.67Å; P510-Y636 PolarHBondContact O-OH 2.78Å; K512-Y636 WeakPolarHBondContact O-CE1 3.36Å; F514-Y636 AromaticContact CD2-CE1 3.83Å; F514-Y636 HydrophobicContact CD2-CE1 3.83Å; F514-Y636 AromaticContact CE2-CE1 3.82Å; F514-Y636 HydrophobicContact CE2-CE1 3.82Å; F514-Y636 AromaticContact CE2-CZ 3.95Å; F514-Y636 WeakPolarHBondContact CE2-OH 3.49Å; H557-Y636 HydrophobicContact CB-CD1 4.11Å; H557-Y636 HydrophobicContact CB-CG 4.36Å; K558-Y636 CarbonylContact O-C 3.56Å; K558-Y636 WeakPolarHBondContact O-CA 3.36Å; V559-Y636 HydrophobicContact CB-CD1 4.31Å; V559-Y636 HydrophobicContact CB-CE1 4.24Å; P615-Y636 CarbonylContact C-O 3.57Å; P615-Y636 WeakPolarHBondContact CA-O 3.44Å; E616-Y636 PolarHBondContact N-O 2.92Å; E616-Y636 PolarHBondContact O-N 3.47Å; L633-Y636 HydrophobicContact CB-CE2 4.23Å; S634-Y636 WeakPolarHBondContact O-CD2 3.38Å; S634-Y636 WeakPolarHBondContact O-CE2 3.12Å
637	N	91.7	Very high	89.9	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.3	160.6	-61.1	-60.7	0	0	0	107.3	K558 E565 I567 F614 I639	K558-N637 HydrophobicContact CB-CB 4.34Å; K558-N637 PolarHBondContact N-O 3.02Å; K558-N637 PolarHBondContact O-N 2.97Å; E565-N637 PolarHBondContact O-ND2 3.5Å; I567-N637 WeakPolarHBondContact CG1-OD1 3.4Å; F614-N637 WeakPolarHBondContact O-CA 3.31Å; N637-I639 HydrophobicContact CB-CG2 3.87Å; N637-I639 PolarHBondContact O-N 3.28Å
638	F	94	Very high	90.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.7	169.8	-167.4	171.8	0	0	0	107.6	F473 F490 Y542 I544 M555 G613 F614 E616	F473-F638 HydrophobicContact CD1-CE1 4.34Å; F473-F638 HydrophobicContact CD2-CD1 4.34Å; F473-F638 HydrophobicContact CD2-CE1 4.22Å; F473-F638 HydrophobicContact CE1-CE1 4.14Å; F473-F638 AromaticContact CE2-CD1 3.81Å; F473-F638 HydrophobicContact CE2-CD1 3.81Å; F473-F638 HydrophobicContact CE2-CE1 4.02Å; F473-F638 HydrophobicContact CG-CE1 4.38Å; F473-F638 AromaticContact CZ-CD1 3.92Å; F473-F638 HydrophobicContact CZ-CD1 3.92Å; F473-F638 AromaticContact CZ-CE1 3.98Å; F473-F638 HydrophobicContact CZ-CE1 3.98Å; F490-F638 HydrophobicContact CE1-CE1 4.15Å; F490-F638 HydrophobicContact CE1-CZ 4.21Å; Y542-F638 AromaticContact CD1-CZ 3.81Å; Y542-F638 HydrophobicContact CD1-CZ 3.81Å; Y542-F638 AromaticContact CE1-CE1 3.77Å; Y542-F638 HydrophobicContact CE1-CE1 3.77Å; Y542-F638 HydrophobicContact CE1-CE2 4.39Å; Y542-F638 AromaticContact CE1-CZ 3.4Å; Y542-F638 HydrophobicContact CE1-CZ 3.4Å; Y542-F638 VanDerWaalsContact CE1-CZ 3.4Å; I544-F638 HydrophobicContact CG2-CD1 4.43Å; I544-F638 HydrophobicContact CG2-CD2 4.27Å; I544-F638 HydrophobicContact CG2-CE1 4.16Å; I544-F638 HydrophobicContact CG2-CE2 3.94Å; I544-F638 HydrophobicContact CG2-CG 4.49Å; I544-F638 HydrophobicContact CG2-CZ 3.93Å; M555-F638 HydrophobicContact CB-CD2 4.41Å; M555-F638 HydrophobicContact CB-CE2 3.56Å; M555-F638 HydrophobicContact CB-CZ 4.34Å; M555-F638 HydrophobicContact CE-CD2 3.96Å; M555-F638 HydrophobicContact CE-CE2 3.34Å; M555-F638 HydrophobicContact CE-CZ 4.21Å; M555-F638 HydrophobicContact CG-CE2 3.66Å; M555-F638 HydrophobicContact CG-CZ 4.14Å; M555-F638 HydrophobicContact SD-CE2 4.28Å; G613-F638 CarbonylContact C-O 3.5Å; G613-F638 WeakPolarHBondContact CA-O 3.21Å; F614-F638 HydrophobicContact CD2-CB 4.35Å; F614-F638 HydrophobicContact CE1-CD1 4.48Å; F614-F638 HydrophobicContact CE2-CB 3.93Å; F614-F638 AromaticContact CE2-CD1 3.83Å; F614-F638 HydrophobicContact CE2-CD1 3.83Å; F614-F638 HydrophobicContact CE2-CG 4.3Å; F614-F638 HydrophobicContact CZ-CB 4.11Å; F614-F638 AromaticContact CZ-CD1 3.55Å; F614-F638 HydrophobicContact CZ-CD1 3.55Å; F614-F638 HydrophobicContact CZ-CE1 4.26Å; F614-F638 HydrophobicContact CZ-CG 4.07Å; F614-F638 PolarHBondContact N-O 3.34Å; F614-F638 VanDerWaalsContact N-O 3.12Å; F614-F638 PolarHBondContact O-N 2.92Å; E616-F638 HydrophobicContact CG-CB 4.35Å; E616-F638 WeakPolarHBondContact OE2-CD1 3.12Å
639	I	92	Very high	90.9	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.041	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.4	-173.7	68.2	168	0	0	0	112.2	M555 V556 K558 I570 L611 S612 N637	M555-I639 WeakPolarHBondContact CE-O 3.11Å; V556-I639 HydrophobicContact CB-CD1 4.36Å; V556-I639 HydrophobicContact CB-CG1 3.84Å; V556-I639 HydrophobicContact CG1-CD1 4.3Å; V556-I639 HydrophobicContact CG1-CG1 4.18Å; V556-I639 PolarHBondContact N-O 2.63Å; V556-I639 WeakPolarHBondContact O-CG1 3.26Å; V556-I639 PolarHBondContact O-N 3.26Å; K558-I639 HydrophobicContact CD-CD1 4.23Å; K558-I639 HydrophobicContact CG-CD1 3.44Å; K558-I639 VanDerWaalsContact CG-CD1 3.44Å; K558-I639 HydrophobicContact CG-CG1 4.04Å; I570-I639 HydrophobicContact CD1-CG2 3.96Å; I570-I639 HydrophobicContact CG1-CG2 4.26Å; L611-I639 HydrophobicContact CD1-CD1 4.46Å; S612-I639 WeakPolarHBondContact O-CA 3.12Å; N637-I639 HydrophobicContact CB-CG2 3.87Å; N637-I639 PolarHBondContact O-N 3.28Å
640	N	92.3	Very high	91.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	149.1	170.1	-66.3	109.6	0	0	0	110.4	I544 T545 E552 L611 S612 K642 F647	I544-N640 VanDerWaalsContact CD1-N 3.35Å; I544-N640 WeakPolarHBondContact CG1-ND2 3.32Å; T545-N640 PolarHBondContact OG1-OD1 3.37Å; E552-N640 PolarHBondContact OE1-ND2 2.93Å; E552-N640 WeakPolarHBondContact OE2-CA 3.26Å; L611-N640 HydrophobicContact CD2-CB 4.24Å; S612-N640 WeakPolarHBondContact CA-OD1 3.35Å; S612-N640 WeakPolarHBondContact CB-OD1 3.36Å; S612-N640 PolarHBondContact N-OD1 3.48Å; S612-N640 PolarHBondContact O-N 3.47Å; S612-N640 PolarHBondContact O-OD1 2.78Å; N640-K642 PolarHBondContact O-N 3.33Å; N640-F647 HydrophobicContact CB-CD1 3.91Å; N640-F647 HydrophobicContact CB-CE1 3.86Å; N640-F647 HydrophobicContact CB-CG 4.41Å; N640-F647 HydrophobicContact CB-CZ 4.33Å
641	N	90.6	Very high	91.1	Very high	13 Å²	13	20.2 Å²	20.2	7%	0.07	11%	0.108	C	C	.	.			trans	-68.8	126.7	165.9	-169.7	-27.2	0	0	0	110	E552 E554 V556 Y643 S644	E552-N641 PolarHBondContact OE2-N 2.95Å; E554-N641 WeakPolarHBondContact CG-ND2 3.31Å; E554-N641 WeakPolarHBondContact O-CB 3.5Å; E554-N641 PolarHBondContact OE1-ND2 3.37Å; E554-N641 PolarHBondContact OE2-ND2 2.87Å; V556-N641 HydrophobicContact CG2-CB 4.36Å; N641-Y643 PolarHBondContact O-N 2.89Å; N641-Y643 WeakPolarHBondContact OD1-CD2 3.49Å; N641-Y643 PolarHBondContact OD1-N 3.4Å; N641-S644 WeakPolarHBondContact O-CB 3.27Å; N641-S644 PolarHBondContact O-N 2.83Å
642	K	86.7	Confident	90.9	Very high	73 Å²	73	22.5 Å²	22.5	32%	0.317	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.7	177.9	66.8	175.2	-179.6	178	0	115.2	L611 N640 E662	L611-K642 HydrophobicContact CD2-CB 4.15Å; N640-K642 PolarHBondContact O-N 3.33Å; K642-E662 IonicContact NZ-OE1 2.63Å; K642-E662 PolarHBondContact NZ-OE1 2.95Å; K642-E662 IonicContact NZ-OE2 3.75Å; K642-E662 PolarHBondContact NZ-OE2 2.78Å
643	Y	88.9	Confident	90.6	Very high	63 Å²	63	29.5 Å²	29.5	25%	0.247	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.4	171.9	-58.5	-65.4	0	0	0	113.4	N641 R698 K701	N641-Y643 PolarHBondContact O-N 2.89Å; N641-Y643 WeakPolarHBondContact OD1-CD2 3.49Å; N641-Y643 PolarHBondContact OD1-N 3.4Å; Y643-R698 PolarHBondContact OH-NH1 3.39Å; Y643-K701 HydrophobicContact CD1-CB 3.88Å; Y643-K701 HydrophobicContact CD1-CD 3.6Å; Y643-K701 HydrophobicContact CD1-CG 3.69Å; Y643-K701 HydrophobicContact CD2-CD 4.12Å; Y643-K701 HydrophobicContact CE1-CD 3.94Å; Y643-K701 HydrophobicContact CE1-CG 3.95Å; Y643-K701 HydrophobicContact CE2-CD 4.45Å; Y643-K701 HydrophobicContact CG-CB 4.44Å; Y643-K701 HydrophobicContact CG-CD 3.71Å; Y643-K701 HydrophobicContact CG-CG 4.3Å
644	S	90.1	Very high	90.7	Very high	18 Å²	18	31.2 Å²	31.2	13%	0.126	16%	0.161	C	C	.	.			trans	-73.6	130.8	179	-178.4	0	0	0	0	110.4	E552 N641 S646 F647	E552-S644 VanDerWaalsContact CD-CB 3.46Å; E552-S644 VanDerWaalsContact CD-OG 3.24Å; E552-S644 WeakPolarHBondContact CG-OG 3.29Å; E552-S644 WeakPolarHBondContact OE1-CB 3.48Å; E552-S644 PolarHBondContact OE1-OG 2.95Å; N641-S644 WeakPolarHBondContact O-CB 3.27Å; N641-S644 PolarHBondContact O-N 2.83Å; S644-S646 PolarHBondContact OG-N 3.45Å; S644-S646 PolarHBondContact OG-OG 3.17Å; S644-F647 WeakPolarHBondContact O-CE1 3.29Å
645	A	91.3	Very high	90.8	Very high	5 Å²	5	32 Å²	32	4%	0.041	16%	0.164	C	C	.	.			trans	-92.2	-16.8	174.6	0	0	0	0	0	112.3	L648 G649 F650 V652 V699	A645-L648 PolarHBondContact O-N 2.88Å; A645-G649 PolarHBondContact O-N 3.48Å; A645-F650 HydrophobicContact CB-CB 4.09Å; A645-F650 VanDerWaalsContact CB-O 3.27Å; A645-F650 WeakPolarHBondContact CB-O 3.49Å; A645-F650 PolarHBondContact O-N 3.16Å; A645-F650 VanDerWaalsContact O-N 3.12Å; A645-V652 HydrophobicContact CB-CG2 4.31Å; A645-V699 HydrophobicContact CB-CG1 3.61Å; A645-V699 HydrophobicContact CB-CG2 4.26Å
646	S	91.3	Very high	90.9	Very high	17 Å²	17	33.5 Å²	33.5	12%	0.119	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-63.9	-50.5	-166.8	55.3	0	0	0	0	112.5	T550 G551 S644 L648 G649	T550-S646 VanDerWaalsContact OG1-CB 3.31Å; T550-S646 WeakPolarHBondContact OG1-CB 3.03Å; G551-S646 WeakPolarHBondContact O-CB 3.44Å; G551-S646 PolarHBondContact O-OG 2.81Å; G551-S646 VanDerWaalsContact O-OG 3.04Å; S644-S646 PolarHBondContact OG-N 3.45Å; S644-S646 PolarHBondContact OG-OG 3.17Å; S646-L648 PolarHBondContact O-N 3.25Å; S646-L648 VanDerWaalsContact O-N 3.16Å; S646-G649 PolarHBondContact O-N 3.42Å; S646-G649 VanDerWaalsContact O-N 3.12Å
647	F	92.8	Very high	90.8	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.022	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-68.3	-13.5	-179.2	75.4	-87.7	0	0	0	113.8	T545 E552 Y607 R608 S610 L611 N640 S644	T545-F647 HydrophobicContact CG2-CB 4.23Å; T545-F647 WeakPolarHBondContact OG1-CB 3.37Å; E552-F647 VanDerWaalsContact OE1-CD1 3.32Å; E552-F647 WeakPolarHBondContact OE1-CD1 3.33Å; Y607-F647 CarbonylContact C-O 3.55Å; Y607-F647 WeakPolarHBondContact CA-O 3.12Å; R608-F647 HydrophobicContact CB-CD2 4.05Å; R608-F647 HydrophobicContact CG-CD2 4.42Å; R608-F647 PolarHBondContact N-O 3.35Å; S610-F647 WeakPolarHBondContact O-CE2 2.97Å; L611-F647 HydrophobicContact CD2-CE1 4.42Å; L611-F647 HydrophobicContact CD2-CE2 4.38Å; L611-F647 HydrophobicContact CD2-CZ 3.74Å; N640-F647 HydrophobicContact CB-CD1 3.91Å; N640-F647 HydrophobicContact CB-CE1 3.86Å; N640-F647 HydrophobicContact CB-CG 4.41Å; N640-F647 HydrophobicContact CB-CZ 4.33Å; S644-F647 WeakPolarHBondContact O-CE1 3.29Å
648	L	93.1	Very high	90.9	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.073	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-94.8	-13.1	178.1	-59.4	163.6	0	0	0	112.3	R608 A645 S646 F650 I660 V699	R608-L648 VanDerWaalsContact O-CD2 3.22Å; R608-L648 WeakPolarHBondContact O-CD2 3.26Å; A645-L648 PolarHBondContact O-N 2.88Å; S646-L648 PolarHBondContact O-N 3.25Å; S646-L648 VanDerWaalsContact O-N 3.16Å; L648-F650 HydrophobicContact CB-CB 4.35Å; L648-F650 HydrophobicContact CB-CD1 3.9Å; L648-F650 HydrophobicContact CB-CE1 4.43Å; L648-F650 HydrophobicContact CB-CG 4.14Å; L648-F650 VanDerWaalsContact O-CD1 3.3Å; L648-F650 WeakPolarHBondContact O-CD1 3.32Å; L648-F650 PolarHBondContact O-N 3.22Å; L648-I660 HydrophobicContact CD1-CD1 3.3Å; L648-I660 HydrophobicContact CD2-CD1 4.45Å; L648-I660 HydrophobicContact CG-CD1 4.39Å; L648-V699 HydrophobicContact CD1-CG2 4.07Å
649	G	92.5	Very high	91	Very high	12 Å²	12	39.1 Å²	39.1	12%	0.124	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	8.8	-170.9	0	0	0	0	0	114	Y594 Y607 A645 S646	Y594-G649 WeakPolarHBondContact CD1-O 3.28Å; Y607-G649 VanDerWaalsContact CD1-CA 3.43Å; Y607-G649 VanDerWaalsContact CD1-N 3.28Å; Y607-G649 VanDerWaalsContact CZ-CA 3.5Å; A645-G649 PolarHBondContact O-N 3.48Å; S646-G649 PolarHBondContact O-N 3.42Å; S646-G649 VanDerWaalsContact O-N 3.12Å
650	F	93.1	Very high	91.1	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.048	20%	0.197	C	C	.	.			trans	-82.5	147.3	-175.4	-78.5	29	0	0	0	110.4	Y594 A645 L648 V652 A658 I660 V699 A818 D820	Y594-F650 AromaticContact CD2-CD1 3.45Å; Y594-F650 HydrophobicContact CD2-CD1 3.45Å; Y594-F650 VanDerWaalsContact CD2-CD1 3.45Å; Y594-F650 AromaticContact CD2-CE1 3.51Å; Y594-F650 HydrophobicContact CD2-CE1 3.51Å; Y594-F650 HydrophobicContact CD2-CG 4.44Å; Y594-F650 AromaticContact CE2-CD1 3.61Å; Y594-F650 HydrophobicContact CE2-CD1 3.61Å; Y594-F650 AromaticContact CE2-CE1 3.81Å; Y594-F650 HydrophobicContact CE2-CE1 3.81Å; Y594-F650 HydrophobicContact CE2-CG 4.2Å; Y594-F650 HydrophobicContact CG-CD1 4.33Å; A645-F650 HydrophobicContact CB-CB 4.09Å; A645-F650 VanDerWaalsContact CB-O 3.27Å; A645-F650 WeakPolarHBondContact CB-O 3.49Å; A645-F650 PolarHBondContact O-N 3.16Å; A645-F650 VanDerWaalsContact O-N 3.12Å; L648-F650 HydrophobicContact CB-CB 4.35Å; L648-F650 HydrophobicContact CB-CD1 3.9Å; L648-F650 HydrophobicContact CB-CE1 4.43Å; L648-F650 HydrophobicContact CB-CG 4.14Å; L648-F650 VanDerWaalsContact O-CD1 3.3Å; L648-F650 WeakPolarHBondContact O-CD1 3.32Å; L648-F650 PolarHBondContact O-N 3.22Å; F650-V652 PolarHBondContact O-N 3.22Å; F650-A658 HydrophobicContact CB-CB 4.23Å; F650-A658 HydrophobicContact CD1-CB 4.4Å; F650-A658 HydrophobicContact CD2-CB 3.36Å; F650-A658 HydrophobicContact CE2-CB 3.7Å; F650-A658 HydrophobicContact CG-CB 3.75Å; F650-A658 HydrophobicContact CZ-CB 4.37Å; F650-I660 HydrophobicContact CD2-CD1 3.96Å; F650-I660 HydrophobicContact CD2-CG1 3.87Å; F650-I660 HydrophobicContact CE2-CD1 3.76Å; F650-I660 HydrophobicContact CE2-CG1 3.5Å; F650-I660 HydrophobicContact CZ-CD1 4.42Å; F650-I660 HydrophobicContact CZ-CG1 4.44Å; F650-V699 HydrophobicContact CB-CG1 3.99Å; F650-V699 HydrophobicContact CD2-CG1 4.19Å; F650-A818 HydrophobicContact CE2-CB 4.3Å; F650-A818 HydrophobicContact CZ-CB 4.11Å; F650-D820 HydrophobicContact CE1-CB 4.12Å; F650-D820 HydrophobicContact CZ-CB 3.83Å
651	P	89.9	Confident	91.2	Very high	32 Å²	32	39.5 Å²	39.5	21%	0.208	20%	0.196	C	C	.	.			trans	-68.2	132	174.6	27.3	-34.2	0	0	0	111.4	Y594 K653 D654 K657 A658	Y594-P651 WeakPolarHBondContact OH-CD 3.04Å; P651-K653 VanDerWaalsContact C-N 3.3Å; P651-K653 PolarHBondContact O-N 3.45Å; P651-D654 HydrophobicContact CB-CB 3.79Å; P651-D654 HydrophobicContact CG-CB 3.9Å; P651-K657 HydrophobicContact CG-CB 3.89Å; P651-K657 HydrophobicContact CG-CD 4.46Å; P651-A658 HydrophobicContact CG-CB 4.34Å
652	V	85.3	Confident	91.1	Very high	101 Å²	101	39.5 Å²	39.5	61%	0.612	20%	0.196	S	C	*	.	S	Bend	trans	-61.8	-31.6	-170.5	-178.4	0	0	0	0	114.1	A645 F650	A645-V652 HydrophobicContact CB-CG2 4.31Å; F650-V652 PolarHBondContact O-N 3.22Å
653	K	86	Confident	91.2	Very high	172 Å²	172	36 Å²	36	75%	0.748	18%	0.181	S	C	*	.	S	Bend	trans	-130.8	2.4	-172.8	-61.9	-176.7	-177.3	173.3	0	114.2	P651	P651-K653 VanDerWaalsContact C-N 3.3Å; P651-K653 PolarHBondContact O-N 3.45Å
654	D	90.6	Very high	90.7	Very high	41 Å²	41	36.7 Å²	36.7	22%	0.219	19%	0.189	C	C	.	.			trans	-104.5	81.3	-173.1	-167.7	-7.4	0	0	0	110.7	P651 M656 K657 A658	P651-D654 HydrophobicContact CB-CB 3.79Å; P651-D654 HydrophobicContact CG-CB 3.9Å; D654-M656 PolarHBondContact O-N 2.79Å; D654-M656 VanDerWaalsContact O-N 3.15Å; D654-M656 WeakPolarHBondContact OD1-CB 3.13Å; D654-M656 PolarHBondContact OD1-N 3.15Å; D654-M656 VanDerWaalsContact OD1-N 3.17Å; D654-K657 PolarHBondContact O-N 3.46Å; D654-K657 WeakPolarHBondContact OD2-CD 3.36Å; D654-K657 WeakPolarHBondContact OD2-CE 3.43Å; D654-K657 WeakPolarHBondContact OD2-CG 3.45Å; D654-K657 IonicContact OD2-NZ 2.72Å; D654-A658 PolarHBondContact O-N 3.12Å
655	Y	92	Very high	89.9	Confident	22 Å²	22	40.6 Å²	40.6	9%	0.086	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.9	176.9	80.1	-82.9	0	0	0	112.6	K657 A658 Q659 P704 L711 E727 W824	Y655-K657 VanDerWaalsContact C-N 3.29Å; Y655-A658 WeakPolarHBondContact CA-O 3.4Å; Y655-Q659 VanDerWaalsContact O-CG 3.23Å; Y655-Q659 WeakPolarHBondContact O-CG 3.31Å; Y655-Q659 PolarHBondContact O-NE2 3.3Å; Y655-P704 HydrophobicContact CD1-CG 3.76Å; Y655-P704 HydrophobicContact CE1-CG 3.74Å; Y655-L711 HydrophobicContact CD1-CD1 4.41Å; Y655-L711 HydrophobicContact CG-CD1 4.04Å; Y655-E727 HydrophobicContact CD2-CG 4.25Å; Y655-E727 HydrophobicContact CE1-CG 4.3Å; Y655-E727 HydrophobicContact CE2-CB 4.42Å; Y655-E727 HydrophobicContact CE2-CG 3.96Å; Y655-W824 HydrophobicContact CD2-CZ2 4.18Å; Y655-W824 HydrophobicContact CE2-CH2 4.28Å; Y655-W824 AromaticContact CE2-CZ2 3.84Å; Y655-W824 HydrophobicContact CE2-CZ2 3.84Å
656	M	92	Very high	88.8	Confident	94 Å²	94	41.1 Å²	41.1	46%	0.463	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.9	179.9	-63.1	-176.3	-66	0	0	112.1	D654 I822 W824	D654-M656 PolarHBondContact O-N 2.79Å; D654-M656 VanDerWaalsContact O-N 3.15Å; D654-M656 WeakPolarHBondContact OD1-CB 3.13Å; D654-M656 PolarHBondContact OD1-N 3.15Å; D654-M656 VanDerWaalsContact OD1-N 3.17Å; M656-I822 WeakPolarHBondContact O-CB 3.31Å; M656-I822 WeakPolarHBondContact O-CG2 3.31Å; M656-W824 VanDerWaalsContact CA-NE1 3.27Å; M656-W824 PolarHBondContact O-NE1 2.94Å; M656-W824 VanDerWaalsContact O-NE1 3.14Å
657	K	91.4	Very high	87.6	Confident	120 Å²	120	45.1 Å²	45.1	52%	0.522	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-45.6	176.3	-70.5	-175.6	-175.9	179.8	0	112.5	P651 D654 Y655	P651-K657 HydrophobicContact CG-CB 3.89Å; P651-K657 HydrophobicContact CG-CD 4.46Å; D654-K657 PolarHBondContact O-N 3.46Å; D654-K657 WeakPolarHBondContact OD2-CD 3.36Å; D654-K657 WeakPolarHBondContact OD2-CE 3.43Å; D654-K657 WeakPolarHBondContact OD2-CG 3.45Å; D654-K657 IonicContact OD2-NZ 2.72Å; Y655-K657 VanDerWaalsContact C-N 3.29Å
658	A	94.1	Very high	86.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.			trans	-145.7	145.7	-178.7	0	0	0	0	0	113.5	Y594 F650 P651 D654 Y655 F819	Y594-A658 HydrophobicContact CE2-CB 3.87Å; F650-A658 HydrophobicContact CB-CB 4.23Å; F650-A658 HydrophobicContact CD1-CB 4.4Å; F650-A658 HydrophobicContact CD2-CB 3.36Å; F650-A658 HydrophobicContact CE2-CB 3.7Å; F650-A658 HydrophobicContact CG-CB 3.75Å; F650-A658 HydrophobicContact CZ-CB 4.37Å; P651-A658 HydrophobicContact CG-CB 4.34Å; D654-A658 PolarHBondContact O-N 3.12Å; Y655-A658 WeakPolarHBondContact CA-O 3.4Å; A658-F819 CarbonylContact C-O 3.53Å; A658-F819 WeakPolarHBondContact CA-O 3.34Å; A658-F819 WeakPolarHBondContact CB-O 3.27Å
659	Q	94.9	Very high	85.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.5	178.8	-61.9	175.2	22.8	0	0	110.9	Y655 V699 A818 F819 I822	Y655-Q659 VanDerWaalsContact O-CG 3.23Å; Y655-Q659 WeakPolarHBondContact O-CG 3.31Å; Y655-Q659 PolarHBondContact O-NE2 3.3Å; Q659-V699 CarbonylContact C-O 3.32Å; Q659-V699 VanDerWaalsContact CA-O 3.23Å; Q659-V699 WeakPolarHBondContact CA-O 2.91Å; Q659-A818 CarbonylContact O-C 3.57Å; Q659-A818 WeakPolarHBondContact O-CA 3.35Å; Q659-F819 HydrophobicContact CB-CB 4.42Å; Q659-F819 HydrophobicContact CB-CD2 4.34Å; Q659-F819 PolarHBondContact N-O 3.12Å; Q659-F819 PolarHBondContact O-N 3.25Å; Q659-I822 HydrophobicContact CB-CD1 4.15Å; Q659-I822 HydrophobicContact CG-CD1 3.64Å
660	I	94.5	Very high	85.2	Confident	15 Å²	15	49.7 Å²	49.7	8%	0.077	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.2	166.8	-60.1	-175.3	0	0	0	109.7	L648 F650 R698 V699 L817 A818	L648-I660 HydrophobicContact CD1-CD1 3.3Å; L648-I660 HydrophobicContact CD2-CD1 4.45Å; L648-I660 HydrophobicContact CG-CD1 4.39Å; F650-I660 HydrophobicContact CD2-CD1 3.96Å; F650-I660 HydrophobicContact CD2-CG1 3.87Å; F650-I660 HydrophobicContact CE2-CD1 3.76Å; F650-I660 HydrophobicContact CE2-CG1 3.5Å; F650-I660 HydrophobicContact CZ-CD1 4.42Å; F650-I660 HydrophobicContact CZ-CG1 4.44Å; I660-R698 HydrophobicContact CB-CB 4.29Å; I660-R698 HydrophobicContact CG2-CB 4.07Å; I660-R698 PolarHBondContact O-N 3.19Å; I660-V699 HydrophobicContact CB-CB 4.1Å; I660-V699 HydrophobicContact CB-CG2 4.44Å; I660-V699 HydrophobicContact CD1-CB 4.33Å; I660-V699 HydrophobicContact CD1-CG2 4.16Å; I660-V699 HydrophobicContact CG1-CB 4.14Å; I660-V699 HydrophobicContact CG1-CG2 4.47Å; I660-V699 PolarHBondContact N-O 3.38Å; I660-V699 PolarHBondContact O-N 3.29Å; I660-L817 WeakPolarHBondContact CA-O 3.33Å; I660-A818 HydrophobicContact CD1-CB 4.47Å; I660-A818 HydrophobicContact CG1-CB 4.08Å
661	W	93.5	Very high	84.9	Confident	1 Å²	1	52.2 Å²	52.2	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	112.5	178.6	-64.2	91.5	0	0	0	109.9	T690 Y695 A697 L711 L728 I731 S816 L817 F819	W661-T690 HydrophobicContact CZ3-CG2 4.06Å; W661-Y695 HydrophobicContact CB-CD1 4.15Å; W661-A697 HydrophobicContact CD2-CB 4.49Å; W661-A697 HydrophobicContact CE3-CB 3.95Å; W661-A697 HydrophobicContact CH2-CB 3.99Å; W661-A697 HydrophobicContact CZ3-CB 3.69Å; W661-L711 HydrophobicContact CH2-CD2 4.12Å; W661-L711 HydrophobicContact CH2-CG 4.27Å; W661-L711 HydrophobicContact CZ2-CD2 3.77Å; W661-L711 HydrophobicContact CZ2-CG 4.31Å; W661-L728 HydrophobicContact CH2-CD2 3.82Å; W661-L728 HydrophobicContact CZ3-CD2 4.28Å; W661-I731 HydrophobicContact CB-CD1 4.1Å; W661-I731 HydrophobicContact CB-CG1 4.34Å; W661-I731 HydrophobicContact CD2-CB 4.1Å; W661-I731 HydrophobicContact CD2-CG1 4.14Å; W661-I731 HydrophobicContact CD2-CG2 4.03Å; W661-I731 HydrophobicContact CE3-CG2 4.44Å; W661-I731 HydrophobicContact CG-CB 4.11Å; W661-I731 HydrophobicContact CG-CD1 4.1Å; W661-I731 HydrophobicContact CG-CG1 3.97Å; W661-I731 HydrophobicContact CH2-CG2 4.19Å; W661-I731 HydrophobicContact CZ2-CB 4.49Å; W661-I731 HydrophobicContact CZ2-CG2 3.75Å; W661-S816 CarbonylContact O-C 3.54Å; W661-S816 WeakPolarHBondContact O-CA 3.44Å; W661-L817 PolarHBondContact N-O 2.78Å; W661-L817 PolarHBondContact O-N 3.09Å; W661-F819 AromaticContact CD1-CD2 3.94Å; W661-F819 AromaticContact CD1-CE2 3.79Å
662	E	90	Very high	84.8	Confident	13 Å²	13	55 Å²	55	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.6	169.8	-172.2	-175.9	111.9	0	0	109.2	K642 Y695 Y696 R698 M815	K642-E662 IonicContact NZ-OE1 2.63Å; K642-E662 PolarHBondContact NZ-OE1 2.95Å; K642-E662 IonicContact NZ-OE2 3.75Å; K642-E662 PolarHBondContact NZ-OE2 2.78Å; E662-Y695 CarbonylContact O-C 3.49Å; E662-Y695 VanDerWaalsContact O-CA 3.27Å; E662-Y695 WeakPolarHBondContact O-CA 3.31Å; E662-Y696 PolarHBondContact N-O 3.21Å; E662-Y696 PolarHBondContact O-N 2.94Å; E662-R698 HydrophobicContact CB-CG 3.8Å; E662-R698 IonicContact OE1-CZ 2.91Å; E662-R698 IonicContact OE1-NE 3.39Å; E662-R698 IonicContact OE1-NH2 3.79Å; E662-R698 PolarHBondContact OE1-NH2 2.82Å; E662-R698 IonicContact OE2-CZ 2.81Å; E662-R698 IonicContact OE2-NE 3.56Å; E662-R698 PolarHBondContact OE2-NE 2.94Å; E662-R698 IonicContact OE2-NH2 2.95Å; E662-R698 PolarHBondContact OE2-NH2 3.02Å; E662-M815 WeakPolarHBondContact CA-O 3.42Å
663	I	87	Confident	85.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.2	179.7	-47.5	-171.3	0	0	0	109.6	N666 M669 Y695 M815 L817	I663-N666 WeakPolarHBondContact CB-OD1 3.49Å; I663-N666 WeakPolarHBondContact CG2-OD1 3.35Å; I663-M669 HydrophobicContact CB-SD 4.44Å; I663-M669 HydrophobicContact CD1-CE 3.28Å; I663-M669 HydrophobicContact CD1-SD 3.66Å; I663-M669 HydrophobicContact CG1-CE 4.43Å; I663-M669 HydrophobicContact CG1-SD 4.41Å; I663-M669 HydrophobicContact CG2-CE 3.77Å; I663-M669 HydrophobicContact CG2-CG 4.25Å; I663-M669 HydrophobicContact CG2-SD 3.32Å; I663-M669 WeakPolarHBondContact CG2-SD 3.18Å; I663-Y695 HydrophobicContact CB-CD1 4.46Å; I663-Y695 HydrophobicContact CB-CE1 4.41Å; I663-Y695 HydrophobicContact CD1-CE1 3.91Å; I663-Y695 HydrophobicContact CG1-CD1 3.87Å; I663-Y695 HydrophobicContact CG1-CE1 3.62Å; I663-Y695 HydrophobicContact CG2-CE1 4.39Å; I663-M815 HydrophobicContact CD1-CB 4.38Å; I663-M815 HydrophobicContact CD1-CE 3.42Å; I663-M815 VanDerWaalsContact CD1-CE 3.42Å; I663-M815 HydrophobicContact CD1-CG 4.43Å; I663-M815 WeakPolarHBondContact CG1-O 3.2Å; I663-M815 PolarHBondContact N-O 2.88Å; I663-L817 HydrophobicContact CD1-CD1 3.94Å; I663-L817 HydrophobicContact CD1-CD2 4.46Å; I663-L817 HydrophobicContact CD1-CG 4.02Å; I663-L817 HydrophobicContact CG1-CD1 4.46Å; I663-L817 HydrophobicContact CG1-CG 4.44Å
664	D	79.5	Confident	85.4	Confident	78 Å²	78	48.5 Å²	48.5	42%	0.417	24%	0.242	S	C	.	.	S	Bend	trans	-76	-51.2	-178.3	-163.4	38.6	0	0	0	112.3	P693 L694 Y696	D664-P693 VanDerWaalsContact CB-O 3.28Å; D664-P693 WeakPolarHBondContact CB-O 3.22Å; D664-L694 PolarHBondContact N-O 2.91Å; D664-Y696 HydrophobicContact CB-CD2 4.44Å; D664-Y696 HydrophobicContact CB-CE2 3.82Å; D664-Y696 VanDerWaalsContact OD1-CE2 3.26Å; D664-Y696 WeakPolarHBondContact OD1-CE2 3.3Å
665	E	72.3	Confident	85.5	Confident	100 Å²	100	48.7 Å²	48.7	47%	0.467	25%	0.253	S	S	.	.			trans	-132.6	113.6	177.8	-173.9	-170.8	172.9	0	0	110.7	N668 M669	E665-N668 PolarHBondContact OE1-ND2 3.5Å; E665-M669 WeakPolarHBondContact O-CB 3.45Å; E665-M669 WeakPolarHBondContact O-CG 3.19Å
666	N	69.2	Low	85.7	Confident	16 Å²	16	50.9 Å²	50.9	9%	0.086	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-23.6	-171.4	-63.2	-15.6	0	0	0	114.1	I663 M669 S810 M811 D812 K813 M815	I663-N666 WeakPolarHBondContact CB-OD1 3.49Å; I663-N666 WeakPolarHBondContact CG2-OD1 3.35Å; N666-M669 HydrophobicContact CB-CE 4.34Å; N666-S810 PolarHBondContact ND2-O 2.94Å; N666-M811 WeakPolarHBondContact CB-O 3.27Å; N666-M811 PolarHBondContact ND2-O 3.17Å; N666-D812 VanDerWaalsContact CB-O 3.29Å; N666-D812 WeakPolarHBondContact CB-O 3.02Å; N666-D812 PolarHBondContact N-O 2.92Å; N666-D812 VanDerWaalsContact N-O 3.16Å; N666-D812 VanDerWaalsContact ND2-C 3.31Å; N666-K813 PolarHBondContact ND2-N 3.26Å; N666-M815 WeakPolarHBondContact ND2-CB 3.48Å
667	V	66.7	Low	85.9	Confident	101 Å²	101	46.6 Å²	46.6	61%	0.612	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-37.1	-168.3	-175.5	0	0	0	0	112.5
668	N	68	Low	86.2	Confident	80 Å²	80	43.3 Å²	43.3	43%	0.428	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	1.2	-171.8	-68.9	-52.5	0	0	0	114.8	E665 F670 N671	E665-N668 PolarHBondContact OE1-ND2 3.5Å; N668-F670 PolarHBondContact O-N 3.1Å; N668-N671 WeakPolarHBondContact O-CB 3.32Å; N668-N671 PolarHBondContact O-ND2 2.84Å; N668-N671 VanDerWaalsContact O-ND2 3.1Å; N668-N671 PolarHBondContact O-OD1 3.49Å
669	M	74.4	Confident	86.3	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.03	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.9	-31.7	-168.1	53.1	151.8	166.4	0	0	115.6	I663 E665 N666 N671 L694 Y695 H735 M815	I663-M669 HydrophobicContact CB-SD 4.44Å; I663-M669 HydrophobicContact CD1-CE 3.28Å; I663-M669 HydrophobicContact CD1-SD 3.66Å; I663-M669 HydrophobicContact CG1-CE 4.43Å; I663-M669 HydrophobicContact CG1-SD 4.41Å; I663-M669 HydrophobicContact CG2-CE 3.77Å; I663-M669 HydrophobicContact CG2-CG 4.25Å; I663-M669 HydrophobicContact CG2-SD 3.32Å; I663-M669 WeakPolarHBondContact CG2-SD 3.18Å; E665-M669 WeakPolarHBondContact O-CB 3.45Å; E665-M669 WeakPolarHBondContact O-CG 3.19Å; N666-M669 HydrophobicContact CB-CE 4.34Å; M669-N671 PolarHBondContact O-N 2.86Å; M669-N671 VanDerWaalsContact O-N 3.14Å; M669-L694 HydrophobicContact CB-CD2 4.3Å; M669-Y695 HydrophobicContact SD-CE1 4.45Å; M669-H735 PolarHBondContact O-CE1 3.35Å; M669-H735 VanDerWaalsContact O-CE1 3.23Å; M669-M815 HydrophobicContact CE-CE 3.87Å
670	F	84.1	Confident	86.2	Confident	41 Å²	41	50.7 Å²	50.7	18%	0.18	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-90.7	44.1	-175.7	-57.8	-61.2	0	0	0	112.9	N668 Y695 F734 H735 V738 V739 N742	N668-F670 PolarHBondContact O-N 3.1Å; F670-Y695 WeakPolarHBondContact CE1-OH 3.39Å; F670-F734 HydrophobicContact CE1-CE1 4.43Å; F670-F734 HydrophobicContact CZ-CE1 4.38Å; F670-H735 AromaticContact CD1-ND1 3.88Å; F670-V738 HydrophobicContact CB-CG1 3.93Å; F670-V738 HydrophobicContact CD1-CB 3.65Å; F670-V738 HydrophobicContact CD1-CG1 3.46Å; F670-V738 VanDerWaalsContact CD1-CG1 3.46Å; F670-V738 HydrophobicContact CD1-CG2 4.4Å; F670-V738 HydrophobicContact CD2-CG1 3.58Å; F670-V738 HydrophobicContact CE1-CB 3.75Å; F670-V738 HydrophobicContact CE1-CG1 3.7Å; F670-V738 HydrophobicContact CE1-CG2 3.98Å; F670-V738 HydrophobicContact CE2-CG1 3.79Å; F670-V738 HydrophobicContact CG-CB 4.11Å; F670-V738 HydrophobicContact CG-CG1 3.39Å; F670-V738 HydrophobicContact CZ-CB 4.28Å; F670-V738 HydrophobicContact CZ-CG1 3.85Å; F670-V738 HydrophobicContact CZ-CG2 4.24Å; F670-V739 HydrophobicContact CB-CG2 4.26Å; F670-N742 PolarHBondContact O-ND2 3.46Å
671	N	87.5	Confident	86.1	Confident	64 Å²	64	53 Å²	53	34%	0.342	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-108.4	-11.1	-175.3	69.7	0.8	0	0	0	114.5	N668 M669 L745	N668-N671 WeakPolarHBondContact O-CB 3.32Å; N668-N671 PolarHBondContact O-ND2 2.84Å; N668-N671 VanDerWaalsContact O-ND2 3.1Å; N668-N671 PolarHBondContact O-OD1 3.49Å; M669-N671 PolarHBondContact O-N 2.86Å; M669-N671 VanDerWaalsContact O-N 3.14Å; N671-L745 HydrophobicContact CB-CD2 4.4Å; N671-L745 WeakPolarHBondContact O-CD2 3.1Å
672	Q	88.6	Confident	85.9	Confident	91 Å²	91	60.5 Å²	60.5	43%	0.425	35%	0.349	S	S	.	.	S	Bend	trans	-146.5	145.6	-178.3	67.1	-175.4	3.6	0	0	110.3	H735 V739	Q672-H735 PolarHBondContact O-NE2 3.34Å; Q672-V739 WeakPolarHBondContact O-CG2 3.39Å
673	E	91.8	Very high	86.2	Confident	130 Å²	130	63.2 Å²	63.2	61%	0.607	37%	0.37	S	S	*	.			trans	-72	145.7	173.6	-66.7	-174.2	162.9	0	0	110.9	V739	E673-V739 HydrophobicContact CG-CB 4.42Å; E673-V739 HydrophobicContact CG-CG1 3.77Å
674	A	92.3	Very high	86.6	Confident	6 Å²	6	64.6 Å²	64.6	5%	0.05	38%	0.377	C	S	.	.			trans	-90.5	124.7	174.8	0	0	0	0	0	111.8	V688 L689 K732 N736	A674-V688 HydrophobicContact CB-CG2 3.82Å; A674-L689 HydrophobicContact CB-CD1 3.77Å; A674-L689 HydrophobicContact CB-CD2 3.55Å; A674-L689 HydrophobicContact CB-CG 3.47Å; A674-L689 VanDerWaalsContact CB-CG 3.47Å; A674-K732 HydrophobicContact CB-CG 4.24Å; A674-N736 PolarHBondContact N-OD1 2.83Å; A674-N736 PolarHBondContact O-ND2 3.14Å
675	G	92.5	Very high	87.3	Confident	44 Å²	44	65.4 Å²	65.4	45%	0.454	38%	0.378	S	S	.	.			trans	-89.1	175.3	166.6	0	0	0	0	0	113.1	S687	G675-S687 WeakPolarHBondContact O-CB 3.42Å; G675-S687 PolarHBondContact O-OG 3.07Å
676	D	95.7	Very high	88.4	Confident	69 Å²	69	66.2 Å²	66.2	37%	0.369	38%	0.38	S	S	.	.			trans	-81.6	159.9	176.2	-78.2	-42	0	0	0	112.9	N725 K732	D676-N725 PolarHBondContact OD1-OD1 3.5Å; D676-K732 IonicContact OD1-NZ 2.8Å; D676-K732 PolarHBondContact OD1-NZ 3.2Å; D676-K732 IonicContact OD2-NZ 2.64Å; D676-K732 PolarHBondContact OD2-NZ 3.11Å
677	Y	96.9	Very high	89.5	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.016	38%	0.377	C	S	.	.			trans	-63.6	138	158.8	-78.5	-100.2	0	0	0	109.1	L684 Q685 K686 S687 T690 G691 A714 I721 T724 N725 L728	Y677-L684 HydrophobicContact CD1-CD1 4.08Å; Y677-L684 HydrophobicContact CD1-CD2 4.36Å; Y677-L684 HydrophobicContact CD1-CG 4.26Å; Y677-L684 HydrophobicContact CE1-CD2 4.46Å; Y677-Q685 WeakPolarHBondContact CA-O 3.35Å; Y677-K686 HydrophobicContact CD1-CB 4.21Å; Y677-K686 HydrophobicContact CD1-CG 4.43Å; Y677-K686 HydrophobicContact CE1-CB 3.65Å; Y677-K686 HydrophobicContact CE1-CG 3.84Å; Y677-S687 VanDerWaalsContact CD2-CB 3.48Å; Y677-S687 VanDerWaalsContact CE2-CB 3.43Å; Y677-T690 VanDerWaalsContact CE2-OG1 3.27Å; Y677-T690 WeakPolarHBondContact CE2-OG1 3.27Å; Y677-T690 PolarHBondContact OH-OG1 2.93Å; Y677-G691 PolarHBondContact OH-N 3.46Å; Y677-A714 HydrophobicContact CD1-CB 3.77Å; Y677-A714 HydrophobicContact CE1-CB 3.97Å; Y677-A714 WeakPolarHBondContact CE1-O 3.46Å; Y677-A714 HydrophobicContact CG-CB 4.35Å; Y677-I721 WeakPolarHBondContact O-CG2 3.32Å; Y677-T724 HydrophobicContact CD2-CG2 3.87Å; Y677-T724 HydrophobicContact CE2-CG2 4.15Å; Y677-T724 HydrophobicContact CG-CG2 4.3Å; Y677-N725 WeakPolarHBondContact CB-OD1 3.46Å; Y677-N725 PolarHBondContact N-OD1 2.76Å; Y677-N725 PolarHBondContact O-ND2 2.84Å; Y677-L728 HydrophobicContact CD2-CD1 3.69Å; Y677-L728 HydrophobicContact CE2-CD1 3.69Å
678	S	96.8	Very high	90.7	Very high	51 Å²	51	63 Å²	63	36%	0.357	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.8	174.2	57.5	0	0	0	0	110.7	Q685	S678-Q685 PolarHBondContact N-O 2.85Å; S678-Q685 WeakPolarHBondContact O-CB 3.19Å; S678-Q685 PolarHBondContact O-N 3.47Å; S678-Q685 WeakPolarHBondContact OG-CB 3.3Å
679	V	95.8	Very high	91.8	Very high	66 Å²	66	59.1 Å²	59.1	40%	0.4	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.4	175.4	175.2	0	0	0	0	107.2	G681 L684 T717 I721	V679-G681 WeakPolarHBondContact CG1-O 3.22Å; V679-L684 HydrophobicContact CG2-CD1 4.26Å; V679-T717 HydrophobicContact CG1-CG2 4.07Å; V679-T717 HydrophobicContact CG2-CG2 4.23Å; V679-I721 HydrophobicContact CG2-CD1 4.4Å; V679-I721 HydrophobicContact CG2-CG1 3.93Å
680	V	93.3	Very high	92.7	Very high	89 Å²	89	59.5 Å²	59.5	54%	0.539	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	106.2	176.5	-178.8	0	0	0	0	107.6	D682 S683 Q685	V680-D682 PolarHBondContact O-N 3.45Å; V680-S683 PolarHBondContact N-O 3.35Å; V680-S683 PolarHBondContact O-N 3.16Å; V680-S683 VanDerWaalsContact O-N 3.13Å; V680-Q685 HydrophobicContact CB-CG 4.2Å; V680-Q685 HydrophobicContact CG2-CG 3.71Å
681	G	91.9	Very high	92.7	Very high	63 Å²	63	58.4 Å²	58.4	65%	0.649	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-129.3	-167.2	0	0	0	0	0	110.5	V679 S683	V679-G681 WeakPolarHBondContact CG1-O 3.22Å; G681-S683 VanDerWaalsContact C-N 3.32Å
682	D	90.7	Very high	92.4	Very high	158 Å²	158	62.3 Å²	62.3	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	6.2	177.3	-61.5	-40.4	0	0	0	113.5	V680 T717	V680-D682 PolarHBondContact O-N 3.45Å; D682-T717 WeakPolarHBondContact O-CG2 3.44Å
683	S	94.6	Very high	91.9	Very high	70 Å²	70	59.7 Å²	59.7	49%	0.49	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.5	-175.3	-64.7	0	0	0	0	112.1	V680 G681 Q685	V680-S683 PolarHBondContact N-O 3.35Å; V680-S683 PolarHBondContact O-N 3.16Å; V680-S683 VanDerWaalsContact O-N 3.13Å; G681-S683 VanDerWaalsContact C-N 3.32Å; S683-Q685 PolarHBondContact O-N 2.93Å
684	L	95.4	Very high	91.7	Very high	30 Å²	30	55 Å²	55	16%	0.157	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	110.5	170.7	-178.7	67.4	0	0	0	109.8	Y677 V679 K686 A714 T717 I721	Y677-L684 HydrophobicContact CD1-CD1 4.08Å; Y677-L684 HydrophobicContact CD1-CD2 4.36Å; Y677-L684 HydrophobicContact CD1-CG 4.26Å; Y677-L684 HydrophobicContact CE1-CD2 4.46Å; V679-L684 HydrophobicContact CG2-CD1 4.26Å; L684-K686 HydrophobicContact CG-CG 4.48Å; L684-A714 HydrophobicContact CD1-CB 4.32Å; L684-A714 HydrophobicContact CD2-CB 4.02Å; L684-A714 WeakPolarHBondContact CD2-O 3.24Å; L684-T717 HydrophobicContact CB-CG2 4.05Å; L684-I721 HydrophobicContact CD1-CD1 3.64Å
685	Q	95.2	Very high	91.7	Very high	94 Å²	94	54.8 Å²	54.8	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.5	167.1	-58.2	-58.1	-31	0	0	108.4	Y677 S678 V680 S683	Y677-Q685 WeakPolarHBondContact CA-O 3.35Å; S678-Q685 PolarHBondContact N-O 2.85Å; S678-Q685 WeakPolarHBondContact O-CB 3.19Å; S678-Q685 PolarHBondContact O-N 3.47Å; S678-Q685 WeakPolarHBondContact OG-CB 3.3Å; V680-Q685 HydrophobicContact CB-CG 4.2Å; V680-Q685 HydrophobicContact CG2-CG 3.71Å; S683-Q685 PolarHBondContact O-N 2.93Å
686	K	94.6	Very high	91.5	Very high	118 Å²	118	55.4 Å²	55.4	51%	0.513	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-93.8	139.7	-175.2	-54.2	-176.5	-179.2	174	0	111.1	Y677 L684 V688	Y677-K686 HydrophobicContact CD1-CB 4.21Å; Y677-K686 HydrophobicContact CD1-CG 4.43Å; Y677-K686 HydrophobicContact CE1-CB 3.65Å; Y677-K686 HydrophobicContact CE1-CG 3.84Å; L684-K686 HydrophobicContact CG-CG 4.48Å; K686-V688 PolarHBondContact O-N 2.82Å
687	S	93.8	Very high	91.4	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.014	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.4	136.7	166.1	-177.6	0	0	0	0	110.1	G675 Y677 L689 T690 G691	G675-S687 WeakPolarHBondContact O-CB 3.42Å; G675-S687 PolarHBondContact O-OG 3.07Å; Y677-S687 VanDerWaalsContact CD2-CB 3.48Å; Y677-S687 VanDerWaalsContact CE2-CB 3.43Å; S687-L689 PolarHBondContact O-N 2.62Å; S687-L689 VanDerWaalsContact O-N 3.14Å; S687-L689 PolarHBondContact OG-N 3.18Å; S687-T690 PolarHBondContact O-N 3.01Å; S687-G691 VanDerWaalsContact O-CA 3.32Å; S687-G691 WeakPolarHBondContact O-CA 3.31Å; S687-G691 PolarHBondContact O-N 3.14Å
688	V	90.1	Very high	91.2	Very high	46 Å²	46	52.8 Å²	52.8	28%	0.279	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	174.4	-61.8	0	0	0	0	112.6	A674 K686 T690 L694	A674-V688 HydrophobicContact CB-CG2 3.82Å; K686-V688 PolarHBondContact O-N 2.82Å; V688-T690 PolarHBondContact O-N 3.38Å; V688-L694 HydrophobicContact CG2-CD1 4.44Å; V688-L694 WeakPolarHBondContact O-CG 3.36Å
689	L	91.9	Very high	90.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-40.9	179.5	-61.8	173.3	0	0	0	112.3	A674 S687 L694 Y695 L728 I731 K732 H735	A674-L689 HydrophobicContact CB-CD1 3.77Å; A674-L689 HydrophobicContact CB-CD2 3.55Å; A674-L689 HydrophobicContact CB-CG 3.47Å; A674-L689 VanDerWaalsContact CB-CG 3.47Å; S687-L689 PolarHBondContact O-N 2.62Å; S687-L689 VanDerWaalsContact O-N 3.14Å; S687-L689 PolarHBondContact OG-N 3.18Å; L689-L694 PolarHBondContact O-N 3.17Å; L689-Y695 HydrophobicContact CB-CD2 4.22Å; L689-Y695 HydrophobicContact CD2-CD2 3.63Å; L689-Y695 HydrophobicContact CD2-CE2 3.48Å; L689-Y695 VanDerWaalsContact CD2-CE2 3.48Å; L689-Y695 PolarHBondContact O-N 2.94Å; L689-L728 HydrophobicContact CB-CD2 4.41Å; L689-L728 HydrophobicContact CD1-CD2 4.35Å; L689-I731 HydrophobicContact CD1-CG2 4.35Å; L689-K732 HydrophobicContact CD1-CB 3.71Å; L689-K732 HydrophobicContact CD1-CG 4.16Å; L689-H735 HydrophobicContact CD2-CB 4.08Å
690	T	93.1	Very high	90.8	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.08	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-6.6	-172.1	63.4	0	0	0	0	114.2	W661 Y677 S687 V688 G712 V713 L728	W661-T690 HydrophobicContact CZ3-CG2 4.06Å; Y677-T690 VanDerWaalsContact CE2-OG1 3.27Å; Y677-T690 WeakPolarHBondContact CE2-OG1 3.27Å; Y677-T690 PolarHBondContact OH-OG1 2.93Å; S687-T690 PolarHBondContact O-N 3.01Å; V688-T690 PolarHBondContact O-N 3.38Å; T690-G712 PolarHBondContact OG1-O 3Å; T690-V713 HydrophobicContact CG2-CG2 4.39Å; T690-L728 HydrophobicContact CG2-CD2 3.73Å
691	G	85.4	Confident	90.7	Very high	19 Å²	19	47.1 Å²	47.1	20%	0.196	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-42.4	-179.6	0	0	0	0	0	114.1	Y677 S687	Y677-G691 PolarHBondContact OH-N 3.46Å; S687-G691 VanDerWaalsContact O-CA 3.32Å; S687-G691 WeakPolarHBondContact O-CA 3.31Å; S687-G691 PolarHBondContact O-N 3.14Å
692	I	81	Confident	90.8	Very high	145 Å²	145	50.9 Å²	50.9	74%	0.744	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	99	154.2	-61.4	170.7	0	0	0	102.3	L694	I692-L694 PolarHBondContact O-N 2.78Å
693	P	77.5	Confident	91	Very high	36 Å²	36	43.5 Å²	43.5	23%	0.234	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	109.8	-156.3	25.2	-34.7	0	0	0	111.7	D664 Y695 Y696	D664-P693 VanDerWaalsContact CB-O 3.28Å; D664-P693 WeakPolarHBondContact CB-O 3.22Å; P693-Y695 VanDerWaalsContact C-N 3.3Å; P693-Y696 HydrophobicContact CB-CD1 4.28Å; P693-Y696 HydrophobicContact CB-CE1 3.73Å; P693-Y696 HydrophobicContact CG-CE1 3.74Å; P693-Y696 VanDerWaalsContact CG-OH 3.32Å; P693-Y696 WeakPolarHBondContact CG-OH 3.19Å
694	L	88	Confident	90.9	Very high	31 Å²	31	42.6 Å²	42.6	16%	0.162	21%	0.214	C	C	.	.	S	Bend	trans	-75	-29	158.3	-66.4	177.4	0	0	0	110.5	D664 M669 V688 L689 I692	D664-L694 PolarHBondContact N-O 2.91Å; M669-L694 HydrophobicContact CB-CD2 4.3Å; V688-L694 HydrophobicContact CG2-CD1 4.44Å; V688-L694 WeakPolarHBondContact O-CG 3.36Å; L689-L694 PolarHBondContact O-N 3.17Å; I692-L694 PolarHBondContact O-N 2.78Å
695	Y	91.1	Very high	90.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.6	-178.8	-59.8	-85.9	0	0	0	112.5	W661 E662 I663 M669 F670 L689 P693 I731 H735 L817	W661-Y695 HydrophobicContact CB-CD1 4.15Å; E662-Y695 CarbonylContact O-C 3.49Å; E662-Y695 VanDerWaalsContact O-CA 3.27Å; E662-Y695 WeakPolarHBondContact O-CA 3.31Å; I663-Y695 HydrophobicContact CB-CD1 4.46Å; I663-Y695 HydrophobicContact CB-CE1 4.41Å; I663-Y695 HydrophobicContact CD1-CE1 3.91Å; I663-Y695 HydrophobicContact CG1-CD1 3.87Å; I663-Y695 HydrophobicContact CG1-CE1 3.62Å; I663-Y695 HydrophobicContact CG2-CE1 4.39Å; M669-Y695 HydrophobicContact SD-CE1 4.45Å; F670-Y695 WeakPolarHBondContact CE1-OH 3.39Å; L689-Y695 HydrophobicContact CB-CD2 4.22Å; L689-Y695 HydrophobicContact CD2-CD2 3.63Å; L689-Y695 HydrophobicContact CD2-CE2 3.48Å; L689-Y695 VanDerWaalsContact CD2-CE2 3.48Å; L689-Y695 PolarHBondContact O-N 2.94Å; P693-Y695 VanDerWaalsContact C-N 3.3Å; Y695-I731 HydrophobicContact CD1-CD1 4.02Å; Y695-I731 HydrophobicContact CD1-CG1 4.2Å; Y695-I731 HydrophobicContact CD2-CG1 4.19Å; Y695-I731 HydrophobicContact CE1-CD1 3.8Å; Y695-I731 HydrophobicContact CE1-CG1 4.31Å; Y695-I731 HydrophobicContact CE2-CG1 4.3Å; Y695-I731 HydrophobicContact CG-CD1 4.47Å; Y695-I731 HydrophobicContact CG-CG1 4.14Å; Y695-H735 HydrophobicContact CE2-CB 4.49Å; Y695-H735 AromaticContact CE2-ND1 3.46Å; Y695-H735 WeakPolarHBondContact CE2-ND1 3.42Å; Y695-H735 AromaticContact CZ-ND1 3.65Å; Y695-H735 PolarHBondContact OH-ND1 2.66Å; Y695-L817 HydrophobicContact CE1-CD1 3.89Å
696	Y	90	Very high	90.8	Very high	57 Å²	57	40.6 Å²	40.6	22%	0.224	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.6	164.5	-60	-76.7	0	0	0	110.7	E662 D664 P693 R698	E662-Y696 PolarHBondContact N-O 3.21Å; E662-Y696 PolarHBondContact O-N 2.94Å; D664-Y696 HydrophobicContact CB-CD2 4.44Å; D664-Y696 HydrophobicContact CB-CE2 3.82Å; D664-Y696 VanDerWaalsContact OD1-CE2 3.26Å; D664-Y696 WeakPolarHBondContact OD1-CE2 3.3Å; P693-Y696 HydrophobicContact CB-CD1 4.28Å; P693-Y696 HydrophobicContact CB-CE1 3.73Å; P693-Y696 HydrophobicContact CG-CE1 3.74Å; P693-Y696 VanDerWaalsContact CG-OH 3.32Å; P693-Y696 WeakPolarHBondContact CG-OH 3.19Å; Y696-R698 PolarHBondContact O-N 2.53Å
697	A	93.2	Very high	90.8	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.1	166.5	0	0	0	0	0	111	W661 L711	W661-A697 HydrophobicContact CD2-CB 4.49Å; W661-A697 HydrophobicContact CE3-CB 3.95Å; W661-A697 HydrophobicContact CH2-CB 3.99Å; W661-A697 HydrophobicContact CZ3-CB 3.69Å; A697-L711 HydrophobicContact CB-CB 3.61Å; A697-L711 HydrophobicContact CB-CD2 3.99Å; A697-L711 HydrophobicContact CB-CG 4.35Å
698	R	91.3	Very high	90.8	Very high	15 Å²	15	46.7 Å²	46.7	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-49.6	175.2	-63.5	-55.4	-177.1	-140.2	1.1	111.1	Y643 I660 E662 Y696 P700 K701	Y643-R698 PolarHBondContact OH-NH1 3.39Å; I660-R698 HydrophobicContact CB-CB 4.29Å; I660-R698 HydrophobicContact CG2-CB 4.07Å; I660-R698 PolarHBondContact O-N 3.19Å; E662-R698 HydrophobicContact CB-CG 3.8Å; E662-R698 IonicContact OE1-CZ 2.91Å; E662-R698 IonicContact OE1-NE 3.39Å; E662-R698 IonicContact OE1-NH2 3.79Å; E662-R698 PolarHBondContact OE1-NH2 2.82Å; E662-R698 IonicContact OE2-CZ 2.81Å; E662-R698 IonicContact OE2-NE 3.56Å; E662-R698 PolarHBondContact OE2-NE 2.94Å; E662-R698 IonicContact OE2-NH2 2.95Å; E662-R698 PolarHBondContact OE2-NH2 3.02Å; Y696-R698 PolarHBondContact O-N 2.53Å; R698-P700 CarbonylContact O-C 3.47Å; R698-K701 PolarHBondContact O-N 3.45Å
699	V	92.2	Very high	91	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.2	177	179.7	0	0	0	0	109.1	A645 L648 F650 Q659 I660	A645-V699 HydrophobicContact CB-CG1 3.61Å; A645-V699 HydrophobicContact CB-CG2 4.26Å; L648-V699 HydrophobicContact CD1-CG2 4.07Å; F650-V699 HydrophobicContact CB-CG1 3.99Å; F650-V699 HydrophobicContact CD2-CG1 4.19Å; Q659-V699 CarbonylContact C-O 3.32Å; Q659-V699 VanDerWaalsContact CA-O 3.23Å; Q659-V699 WeakPolarHBondContact CA-O 2.91Å; I660-V699 HydrophobicContact CB-CB 4.1Å; I660-V699 HydrophobicContact CB-CG2 4.44Å; I660-V699 HydrophobicContact CD1-CB 4.33Å; I660-V699 HydrophobicContact CD1-CG2 4.16Å; I660-V699 HydrophobicContact CG1-CB 4.14Å; I660-V699 HydrophobicContact CG1-CG2 4.47Å; I660-V699 PolarHBondContact N-O 3.38Å; I660-V699 PolarHBondContact O-N 3.29Å
700	P	93.1	Very high	91.1	Very high	7 Å²	7	49.2 Å²	49.2	5%	0.045	26%	0.26	C	S	.	.	S	Bend	cis	-68.8	149.9	-20.3	29.8	-34.1	0	0	0	112.2	R698 L711	R698-P700 CarbonylContact O-C 3.47Å; P700-L711 HydrophobicContact CG-CD1 4.12Å; P700-L711 HydrophobicContact CG-CD2 3.97Å
701	K	91.8	Very high	91.2	Very high	80 Å²	80	48.7 Å²	48.7	35%	0.348	26%	0.257	S	S	.	.			trans	-68.4	-37.7	177.5	-178.3	-178.3	-173.4	168.6	0	113.4	Y643 R698 K710 L711	Y643-K701 HydrophobicContact CD1-CB 3.88Å; Y643-K701 HydrophobicContact CD1-CD 3.6Å; Y643-K701 HydrophobicContact CD1-CG 3.69Å; Y643-K701 HydrophobicContact CD2-CD 4.12Å; Y643-K701 HydrophobicContact CE1-CD 3.94Å; Y643-K701 HydrophobicContact CE1-CG 3.95Å; Y643-K701 HydrophobicContact CE2-CD 4.45Å; Y643-K701 HydrophobicContact CG-CB 4.44Å; Y643-K701 HydrophobicContact CG-CD 3.71Å; Y643-K701 HydrophobicContact CG-CG 4.3Å; R698-K701 PolarHBondContact O-N 3.45Å; K701-K710 VanDerWaalsContact O-CA 3.3Å; K701-K710 WeakPolarHBondContact O-CA 3.43Å; K701-L711 PolarHBondContact O-N 2.85Å
702	K	93.7	Very high	91.7	Very high	141 Å²	141	47.8 Å²	47.8	61%	0.613	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-112	146.9	-173.1	-67.9	-169.6	178.8	-177.7	0	111.1
703	S	94.7	Very high	92.4	Very high	3 Å²	3	42 Å²	42	2%	0.021	22%	0.219	C	C	.	.			trans	-66.9	133.8	170.7	165.4	0	0	0	0	110	T705 N706 K707 N709 E727	S703-T705 VanDerWaalsContact C-N 3.28Å; S703-T705 PolarHBondContact OG-N 3.21Å; S703-N706 PolarHBondContact OG-N 3.25Å; S703-K707 WeakPolarHBondContact O-CA 3.28Å; S703-N709 PolarHBondContact N-O 3.48Å; S703-N709 VanDerWaalsContact N-O 3.17Å; S703-E727 WeakPolarHBondContact CB-OE1 3.15Å; S703-E727 VanDerWaalsContact CB-OE2 3.28Å; S703-E727 WeakPolarHBondContact CB-OE2 3.37Å; S703-E727 VanDerWaalsContact OG-CD 3.27Å; S703-E727 PolarHBondContact OG-OE1 3.12Å; S703-E727 PolarHBondContact OG-OE2 3.2Å
704	P	92.7	Very high	93.3	Very high	52 Å²	52	40.3 Å²	40.3	34%	0.338	21%	0.208	S	C	.	.	S	Bend	trans	-68.6	-27.5	172.5	27.5	-34.4	0	0	0	112.8	Y655 K707 E727	Y655-P704 HydrophobicContact CD1-CG 3.76Å; Y655-P704 HydrophobicContact CE1-CG 3.74Å; P704-K707 VanDerWaalsContact O-CE 3.31Å; P704-K707 WeakPolarHBondContact O-CE 3.44Å; P704-K707 WeakPolarHBondContact O-CG 3.38Å; P704-E727 WeakPolarHBondContact CD-OE1 3.31Å
705	T	94	Very high	93.7	Very high	67 Å²	67	45.4 Å²	45.4	41%	0.411	23%	0.229	S	C	.	.	S	Bend	trans	-92.7	-58.7	-177.4	-55.2	0	0	0	0	111.1	S703 K707 N720 A723	S703-T705 VanDerWaalsContact C-N 3.28Å; S703-T705 PolarHBondContact OG-N 3.21Å; T705-K707 VanDerWaalsContact C-N 3.31Å; T705-K707 PolarHBondContact O-N 3.19Å; T705-K707 VanDerWaalsContact O-N 3.12Å; T705-N720 HydrophobicContact CG2-CB 3.84Å; T705-A723 HydrophobicContact CG2-CB 3.68Å
706	N	94.9	Very high	93.9	Very high	15 Å²	15	51 Å²	51	8%	0.08	25%	0.253	C	S	.	.	S	Bend	trans	-87.6	65.9	175.8	-65.1	-40.1	0	0	0	110.2	S703 A708 N709 N720 T724	S703-N706 PolarHBondContact OG-N 3.25Å; N706-A708 PolarHBondContact O-N 3.38Å; N706-N709 HydrophobicContact CB-CB 4.18Å; N706-N709 WeakPolarHBondContact O-CA 3.23Å; N706-N709 WeakPolarHBondContact O-CB 3.48Å; N706-N709 PolarHBondContact O-N 3.27Å; N706-N720 PolarHBondContact ND2-O 3.35Å; N706-N720 PolarHBondContact OD1-N 3.1Å; N706-T724 PolarHBondContact ND2-OG1 2.94Å
707	K	93.2	Very high	94.1	Very high	156 Å²	156	51 Å²	51	68%	0.678	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.3	-167.9	-62.8	178.1	-177.3	174.9	0	116.6	S703 P704 T705 N709	S703-K707 WeakPolarHBondContact O-CA 3.28Å; P704-K707 VanDerWaalsContact O-CE 3.31Å; P704-K707 WeakPolarHBondContact O-CE 3.44Å; P704-K707 WeakPolarHBondContact O-CG 3.38Å; T705-K707 VanDerWaalsContact C-N 3.31Å; T705-K707 PolarHBondContact O-N 3.19Å; T705-K707 VanDerWaalsContact O-N 3.12Å; K707-N709 VanDerWaalsContact C-N 3.29Å
708	A	93.3	Very high	94.2	Very high	91 Å²	91	56 Å²	56	75%	0.752	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.8	175.2	0	0	0	0	0	113.4	N706	N706-A708 PolarHBondContact O-N 3.38Å
709	N	95.4	Very high	94.5	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.048	29%	0.292	C	S	.	.	S	Bend	trans	-110.5	162.2	-175.6	-61.6	-19.4	0	0	0	111.6	S703 N706 K707 V713 K715 D719	S703-N709 PolarHBondContact N-O 3.48Å; S703-N709 VanDerWaalsContact N-O 3.17Å; N706-N709 HydrophobicContact CB-CB 4.18Å; N706-N709 WeakPolarHBondContact O-CA 3.23Å; N706-N709 WeakPolarHBondContact O-CB 3.48Å; N706-N709 PolarHBondContact O-N 3.27Å; K707-N709 VanDerWaalsContact C-N 3.29Å; N709-V713 HydrophobicContact CB-CB 4.38Å; N709-V713 WeakPolarHBondContact CB-O 3.34Å; N709-V713 PolarHBondContact ND2-O 3.42Å; N709-K715 VanDerWaalsContact OD1-CD 3.31Å; N709-K715 WeakPolarHBondContact OD1-CD 2.96Å; N709-D719 PolarHBondContact ND2-OD2 3.37Å
710	K	94	Very high	94.7	Very high	91 Å²	91	59.6 Å²	59.6	40%	0.396	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-70.7	157.7	166.2	-63.8	178.8	-178.7	173.7	0	109	K701 G712 V713	K701-K710 VanDerWaalsContact O-CA 3.3Å; K701-K710 WeakPolarHBondContact O-CA 3.43Å; K710-G712 PolarHBondContact O-N 3.46Å; K710-V713 HydrophobicContact CB-CB 4.48Å; K710-V713 HydrophobicContact CB-CG2 4.02Å; K710-V713 PolarHBondContact O-N 2.8Å; K710-V713 VanDerWaalsContact O-N 3.16Å
711	L	95.1	Very high	94.9	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	131.5	174.9	-175	78	0	0	0	110.1	Y655 W661 A697 P700 K701 V713 E727	Y655-L711 HydrophobicContact CD1-CD1 4.41Å; Y655-L711 HydrophobicContact CG-CD1 4.04Å; W661-L711 HydrophobicContact CH2-CD2 4.12Å; W661-L711 HydrophobicContact CH2-CG 4.27Å; W661-L711 HydrophobicContact CZ2-CD2 3.77Å; W661-L711 HydrophobicContact CZ2-CG 4.31Å; A697-L711 HydrophobicContact CB-CB 3.61Å; A697-L711 HydrophobicContact CB-CD2 3.99Å; A697-L711 HydrophobicContact CB-CG 4.35Å; P700-L711 HydrophobicContact CG-CD1 4.12Å; P700-L711 HydrophobicContact CG-CD2 3.97Å; K701-L711 PolarHBondContact O-N 2.85Å; L711-V713 VanDerWaalsContact C-N 3.33Å; L711-V713 PolarHBondContact O-N 3.13Å; L711-E727 HydrophobicContact CD1-CB 3.88Å; L711-E727 HydrophobicContact CD1-CG 3.61Å; L711-E727 HydrophobicContact CG-CB 4.17Å; L711-E727 HydrophobicContact CG-CG 4.43Å
712	G	95.7	Very high	95.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	21.6	179.7	0	0	0	0	0	114.9	T690 K710 T724 E727	T690-G712 PolarHBondContact OG1-O 3Å; K710-G712 PolarHBondContact O-N 3.46Å; G712-T724 VanDerWaalsContact C-CG2 3.48Å; G712-E727 PolarHBondContact N-OE2 2.96Å
713	V	96.1	Very high	95.2	Very high	23 Å²	23	55.8 Å²	55.8	14%	0.139	30%	0.3	C	S	.	.			trans	-118.9	124.8	175.8	178.5	0	0	0	0	111.3	T690 N709 K710 L711 K715	T690-V713 HydrophobicContact CG2-CG2 4.39Å; N709-V713 HydrophobicContact CB-CB 4.38Å; N709-V713 WeakPolarHBondContact CB-O 3.34Å; N709-V713 PolarHBondContact ND2-O 3.42Å; K710-V713 HydrophobicContact CB-CB 4.48Å; K710-V713 HydrophobicContact CB-CG2 4.02Å; K710-V713 PolarHBondContact O-N 2.8Å; K710-V713 VanDerWaalsContact O-N 3.16Å; L711-V713 VanDerWaalsContact C-N 3.33Å; L711-V713 PolarHBondContact O-N 3.13Å; V713-K715 HydrophobicContact CG1-CG 4.08Å
714	A	96.3	Very high	95.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	30%	0.299	C	S	.	.			trans	-104.2	135.5	160.9	0	0	0	0	0	109.7	Y677 L684 D719 I721 T724	Y677-A714 HydrophobicContact CD1-CB 3.77Å; Y677-A714 HydrophobicContact CE1-CB 3.97Å; Y677-A714 WeakPolarHBondContact CE1-O 3.46Å; Y677-A714 HydrophobicContact CG-CB 4.35Å; L684-A714 HydrophobicContact CD1-CB 4.32Å; L684-A714 HydrophobicContact CD2-CB 4.02Å; L684-A714 WeakPolarHBondContact CD2-O 3.24Å; A714-D719 HydrophobicContact CB-CB 4.08Å; A714-I721 HydrophobicContact CB-CD1 3.67Å; A714-T724 HydrophobicContact CB-CG2 4.15Å
715	K	95	Very high	95.5	Very high	138 Å²	138	54.2 Å²	54.2	60%	0.6	29%	0.289	S	S	*	.			trans	-108.9	-24	179.3	-68.3	-176.2	-175.4	165.4	0	113	N709 V713 D719	N709-K715 VanDerWaalsContact OD1-CD 3.31Å; N709-K715 WeakPolarHBondContact OD1-CD 2.96Å; V713-K715 HydrophobicContact CG1-CG 4.08Å; K715-D719 PolarHBondContact N-OD2 3.41Å
716	K	95.4	Very high	95.6	Very high	119 Å²	119	56.2 Å²	56.2	52%	0.517	29%	0.293	S	S	.	.	S	Bend	trans	-139.3	155.7	-177.4	54.3	-178.2	-177.1	164.8	0	110.2	T718 D719	K716-T718 WeakPolarHBondContact CD-OG1 3.4Å; K716-T718 WeakPolarHBondContact CE-OG1 3.43Å; K716-T718 WeakPolarHBondContact CG-OG1 3.4Å; K716-T718 PolarHBondContact NZ-OG1 3.33Å; K716-T718 PolarHBondContact O-N 2.99Å; K716-T718 VanDerWaalsContact O-N 3.13Å; K716-D719 WeakPolarHBondContact CE-OD1 3.31Å; K716-D719 HydrophobicContact CG-CB 4.41Å; K716-D719 VanDerWaalsContact CG-CG 3.44Å; K716-D719 VanDerWaalsContact CG-OD1 3.24Å; K716-D719 WeakPolarHBondContact CG-OD1 3.35Å; K716-D719 PolarHBondContact N-OD2 3.44Å; K716-D719 WeakPolarHBondContact O-CB 2.99Å; K716-D719 PolarHBondContact O-N 2.9Å
717	T	95.4	Very high	95.6	Very high	58 Å²	58	55.5 Å²	55.5	36%	0.356	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.1	178.8	51.5	0	0	0	0	113.4	V679 D682 L684	V679-T717 HydrophobicContact CG1-CG2 4.07Å; V679-T717 HydrophobicContact CG2-CG2 4.23Å; D682-T717 WeakPolarHBondContact O-CG2 3.44Å; L684-T717 HydrophobicContact CB-CG2 4.05Å
718	T	95.4	Very high	95.7	Very high	106 Å²	106	48 Å²	48	65%	0.65	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.1	176.4	69.4	0	0	0	0	114.1	K716	K716-T718 WeakPolarHBondContact CD-OG1 3.4Å; K716-T718 WeakPolarHBondContact CE-OG1 3.43Å; K716-T718 WeakPolarHBondContact CG-OG1 3.4Å; K716-T718 PolarHBondContact NZ-OG1 3.33Å; K716-T718 PolarHBondContact O-N 2.99Å; K716-T718 VanDerWaalsContact O-N 3.13Å
719	D	96.8	Very high	95.7	Very high	20 Å²	20	45.1 Å²	45.1	11%	0.107	23%	0.233	C	C	.	.	S	Bend	trans	-69.9	155.7	172.5	-70	-22.7	0	0	0	109.3	N709 A714 K715 K716 I721	N709-D719 PolarHBondContact ND2-OD2 3.37Å; A714-D719 HydrophobicContact CB-CB 4.08Å; K715-D719 PolarHBondContact N-OD2 3.41Å; K716-D719 WeakPolarHBondContact CE-OD1 3.31Å; K716-D719 HydrophobicContact CG-CB 4.41Å; K716-D719 VanDerWaalsContact CG-CG 3.44Å; K716-D719 VanDerWaalsContact CG-OD1 3.24Å; K716-D719 WeakPolarHBondContact CG-OD1 3.35Å; K716-D719 PolarHBondContact N-OD2 3.44Å; K716-D719 WeakPolarHBondContact O-CB 2.99Å; K716-D719 PolarHBondContact O-N 2.9Å; D719-I721 HydrophobicContact CB-CD1 4.46Å; D719-I721 WeakPolarHBondContact O-CD1 3.17Å; D719-I721 WeakPolarHBondContact O-CG1 3.21Å; D719-I721 PolarHBondContact O-N 3.2Å
720	N	97.3	Very high	95.7	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	24%	0.238	S	C	.	.			trans	-71.5	98.4	175.4	-173.1	-27	0	0	0	109.2	T705 N706 D722 A723 T724	T705-N720 HydrophobicContact CG2-CB 3.84Å; N706-N720 PolarHBondContact ND2-O 3.35Å; N706-N720 PolarHBondContact OD1-N 3.1Å; N720-D722 PolarHBondContact OD1-N 3.14Å; N720-A723 HydrophobicContact CB-CB 4Å; N720-A723 VanDerWaalsContact CG-CB 3.43Å; N720-A723 WeakPolarHBondContact OD1-CB 3.37Å; N720-A723 PolarHBondContact OD1-N 3.49Å; N720-T724 PolarHBondContact O-N 3.14Å; N720-T724 VanDerWaalsContact O-N 3.08Å; N720-T724 PolarHBondContact O-OG1 3.21Å
721	I	97.4	Very high	95.7	Very high	22 Å²	22	41.6 Å²	41.6	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-69.6	-41.8	-175.5	-55.2	-52.6	0	0	0	111.1	Y677 V679 L684 A714 D719 A723 T724 N725	Y677-I721 WeakPolarHBondContact O-CG2 3.32Å; V679-I721 HydrophobicContact CG2-CD1 4.4Å; V679-I721 HydrophobicContact CG2-CG1 3.93Å; L684-I721 HydrophobicContact CD1-CD1 3.64Å; A714-I721 HydrophobicContact CB-CD1 3.67Å; D719-I721 HydrophobicContact CB-CD1 4.46Å; D719-I721 WeakPolarHBondContact O-CD1 3.17Å; D719-I721 WeakPolarHBondContact O-CG1 3.21Å; D719-I721 PolarHBondContact O-N 3.2Å; I721-A723 PolarHBondContact O-N 3.23Å; I721-T724 WeakPolarHBondContact O-CA 3.44Å; I721-T724 WeakPolarHBondContact O-CB 3.23Å; I721-T724 PolarHBondContact O-N 2.79Å; I721-T724 VanDerWaalsContact O-N 3.09Å; I721-N725 PolarHBondContact O-N 3.33Å; I721-N725 PolarHBondContact O-ND2 2.67Å
722	D	96.4	Very high	95.6	Very high	119 Å²	119	43.5 Å²	43.5	64%	0.636	23%	0.227	S	C	*	.	H	α-helix	trans	-61.7	-45.3	178.9	-64.2	-20.4	0	0	0	111.3	N720 T724 N725 Q726	N720-D722 PolarHBondContact OD1-N 3.14Å; D722-T724 VanDerWaalsContact C-N 3.31Å; D722-T724 PolarHBondContact O-N 3.36Å; D722-N725 PolarHBondContact O-N 3.41Å; D722-Q726 WeakPolarHBondContact O-CG 3.47Å; D722-Q726 PolarHBondContact O-N 2.69Å
723	A	95.5	Very high	95.6	Very high	6 Å²	6	49.5 Å²	49.5	5%	0.05	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-37.3	174.4	0	0	0	0	0	112	T705 N720 I721 Q726 E727	T705-A723 HydrophobicContact CG2-CB 3.68Å; N720-A723 HydrophobicContact CB-CB 4Å; N720-A723 VanDerWaalsContact CG-CB 3.43Å; N720-A723 WeakPolarHBondContact OD1-CB 3.37Å; N720-A723 PolarHBondContact OD1-N 3.49Å; I721-A723 PolarHBondContact O-N 3.23Å; A723-Q726 PolarHBondContact O-N 3.01Å; A723-E727 WeakPolarHBondContact O-CB 3.46Å; A723-E727 WeakPolarHBondContact O-CG 3.43Å; A723-E727 PolarHBondContact O-N 3.11Å
724	T	96.8	Very high	95.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-43.8	175.4	-56.2	0	0	0	0	111.2	Y677 N706 G712 A714 N720 I721 D722 E727 L728	Y677-T724 HydrophobicContact CD2-CG2 3.87Å; Y677-T724 HydrophobicContact CE2-CG2 4.15Å; Y677-T724 HydrophobicContact CG-CG2 4.3Å; N706-T724 PolarHBondContact ND2-OG1 2.94Å; G712-T724 VanDerWaalsContact C-CG2 3.48Å; A714-T724 HydrophobicContact CB-CG2 4.15Å; N720-T724 PolarHBondContact O-N 3.14Å; N720-T724 VanDerWaalsContact O-N 3.08Å; N720-T724 PolarHBondContact O-OG1 3.21Å; I721-T724 WeakPolarHBondContact O-CA 3.44Å; I721-T724 WeakPolarHBondContact O-CB 3.23Å; I721-T724 PolarHBondContact O-N 2.79Å; I721-T724 VanDerWaalsContact O-N 3.09Å; D722-T724 VanDerWaalsContact C-N 3.31Å; D722-T724 PolarHBondContact O-N 3.36Å; T724-E727 PolarHBondContact O-N 3.47Å; T724-L728 HydrophobicContact CG2-CD1 4.4Å; T724-L728 WeakPolarHBondContact O-CG 3.41Å; T724-L728 PolarHBondContact O-N 3.32Å; T724-L728 VanDerWaalsContact O-N 3.11Å
725	N	96.8	Very high	95.3	Very high	23 Å²	23	49.5 Å²	49.5	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-69.3	-35.7	178.5	-69.7	-26.9	0	0	0	111.9	D676 Y677 I721 D722 L728 A729	D676-N725 PolarHBondContact OD1-OD1 3.5Å; Y677-N725 WeakPolarHBondContact CB-OD1 3.46Å; Y677-N725 PolarHBondContact N-OD1 2.76Å; Y677-N725 PolarHBondContact O-ND2 2.84Å; I721-N725 PolarHBondContact O-N 3.33Å; I721-N725 PolarHBondContact O-ND2 2.67Å; D722-N725 PolarHBondContact O-N 3.41Å; N725-L728 PolarHBondContact O-N 3.23Å; N725-A729 PolarHBondContact O-N 2.71Å
726	Q	94.8	Very high	95.4	Very high	108 Å²	108	44.7 Å²	44.7	51%	0.505	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-49.3	169.2	-74.9	-179.5	-10.2	0	0	110.8	D722 A723 L728 A729 W824	D722-Q726 WeakPolarHBondContact O-CG 3.47Å; D722-Q726 PolarHBondContact O-N 2.69Å; A723-Q726 PolarHBondContact O-N 3.01Å; Q726-L728 PolarHBondContact O-N 2.79Å; Q726-L728 VanDerWaalsContact O-N 3.11Å; Q726-A729 WeakPolarHBondContact O-CB 3.43Å; Q726-A729 PolarHBondContact O-N 3.46Å; Q726-W824 WeakPolarHBondContact O-CH2 3.37Å
727	E	95.1	Very high	95.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-29.5	176.9	-70.7	167.7	-169.8	0	0	113.3	Y655 S703 P704 L711 G712 A723 T724	Y655-E727 HydrophobicContact CD2-CG 4.25Å; Y655-E727 HydrophobicContact CE1-CG 4.3Å; Y655-E727 HydrophobicContact CE2-CB 4.42Å; Y655-E727 HydrophobicContact CE2-CG 3.96Å; S703-E727 WeakPolarHBondContact CB-OE1 3.15Å; S703-E727 VanDerWaalsContact CB-OE2 3.28Å; S703-E727 WeakPolarHBondContact CB-OE2 3.37Å; S703-E727 VanDerWaalsContact OG-CD 3.27Å; S703-E727 PolarHBondContact OG-OE1 3.12Å; S703-E727 PolarHBondContact OG-OE2 3.2Å; P704-E727 WeakPolarHBondContact CD-OE1 3.31Å; L711-E727 HydrophobicContact CD1-CB 3.88Å; L711-E727 HydrophobicContact CD1-CG 3.61Å; L711-E727 HydrophobicContact CG-CB 4.17Å; L711-E727 HydrophobicContact CG-CG 4.43Å; G712-E727 PolarHBondContact N-OE2 2.96Å; A723-E727 WeakPolarHBondContact O-CB 3.46Å; A723-E727 WeakPolarHBondContact O-CG 3.43Å; A723-E727 PolarHBondContact O-N 3.11Å; T724-E727 PolarHBondContact O-N 3.47Å
728	L	95.2	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-87.1	-13.7	177.3	-69.9	171.5	0	0	0	114.6	W661 Y677 L689 T690 T724 N725 Q726 V730 I731 K732	W661-L728 HydrophobicContact CH2-CD2 3.82Å; W661-L728 HydrophobicContact CZ3-CD2 4.28Å; Y677-L728 HydrophobicContact CD2-CD1 3.69Å; Y677-L728 HydrophobicContact CE2-CD1 3.69Å; L689-L728 HydrophobicContact CB-CD2 4.41Å; L689-L728 HydrophobicContact CD1-CD2 4.35Å; T690-L728 HydrophobicContact CG2-CD2 3.73Å; T724-L728 HydrophobicContact CG2-CD1 4.4Å; T724-L728 WeakPolarHBondContact O-CG 3.41Å; T724-L728 PolarHBondContact O-N 3.32Å; T724-L728 VanDerWaalsContact O-N 3.11Å; N725-L728 PolarHBondContact O-N 3.23Å; Q726-L728 PolarHBondContact O-N 2.79Å; Q726-L728 VanDerWaalsContact O-N 3.11Å; L728-V730 VanDerWaalsContact C-N 3.3Å; L728-V730 PolarHBondContact O-N 3.04Å; L728-I731 HydrophobicContact CD2-CG2 4.11Å; L728-I731 WeakPolarHBondContact O-CG2 3.4Å; L728-I731 PolarHBondContact O-N 3.14Å; L728-K732 WeakPolarHBondContact O-CB 3.27Å; L728-K732 PolarHBondContact O-N 3.13Å
729	A	94.6	Very high	95.3	Very high	29 Å²	29	32.9 Å²	32.9	24%	0.24	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-40.5	-164	0	0	0	0	0	113.2	N725 Q726 R733 W824	N725-A729 PolarHBondContact O-N 2.71Å; Q726-A729 WeakPolarHBondContact O-CB 3.43Å; Q726-A729 PolarHBondContact O-N 3.46Å; A729-R733 WeakPolarHBondContact O-CB 3.45Å; A729-R733 PolarHBondContact O-N 3.28Å; A729-W824 HydrophobicContact CB-CH2 3.84Å; A729-W824 HydrophobicContact CB-CZ3 3.62Å
730	V	93.6	Very high	95.2	Very high	26 Å²	26	32.8 Å²	32.8	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-52.4	-179.9	176.4	0	0	0	0	111.4	L728 K732 R733 F734 F819 I822 W824	L728-V730 VanDerWaalsContact C-N 3.3Å; L728-V730 PolarHBondContact O-N 3.04Å; V730-K732 VanDerWaalsContact C-N 3.35Å; V730-K732 PolarHBondContact O-N 2.77Å; V730-R733 PolarHBondContact O-N 3.11Å; V730-F734 PolarHBondContact O-N 3.31Å; V730-F819 HydrophobicContact CG1-CB 4.15Å; V730-F819 HydrophobicContact CG1-CD1 3.43Å; V730-F819 VanDerWaalsContact CG1-CD1 3.43Å; V730-F819 HydrophobicContact CG1-CD2 4.13Å; V730-F819 HydrophobicContact CG1-CE1 3.75Å; V730-F819 HydrophobicContact CG1-CE2 4.42Å; V730-F819 HydrophobicContact CG1-CG 3.63Å; V730-F819 HydrophobicContact CG1-CZ 4.24Å; V730-I822 HydrophobicContact CG1-CD1 4.48Å; V730-I822 HydrophobicContact CG1-CG1 4.46Å; V730-I822 HydrophobicContact CG2-CD1 4.33Å; V730-I822 HydrophobicContact CG2-CG1 4.47Å; V730-I822 HydrophobicContact CG2-CG2 3.66Å; V730-W824 HydrophobicContact CG2-CH2 3.87Å; V730-W824 HydrophobicContact CG2-CZ2 3.78Å
731	I	93.9	Very high	95.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-36.4	-179.7	-174.9	60.3	0	0	0	111.6	W661 L689 Y695 L728 F734 H735 L817 F819	W661-I731 HydrophobicContact CB-CD1 4.1Å; W661-I731 HydrophobicContact CB-CG1 4.34Å; W661-I731 HydrophobicContact CD2-CB 4.1Å; W661-I731 HydrophobicContact CD2-CG1 4.14Å; W661-I731 HydrophobicContact CD2-CG2 4.03Å; W661-I731 HydrophobicContact CE3-CG2 4.44Å; W661-I731 HydrophobicContact CG-CB 4.11Å; W661-I731 HydrophobicContact CG-CD1 4.1Å; W661-I731 HydrophobicContact CG-CG1 3.97Å; W661-I731 HydrophobicContact CH2-CG2 4.19Å; W661-I731 HydrophobicContact CZ2-CB 4.49Å; W661-I731 HydrophobicContact CZ2-CG2 3.75Å; L689-I731 HydrophobicContact CD1-CG2 4.35Å; Y695-I731 HydrophobicContact CD1-CD1 4.02Å; Y695-I731 HydrophobicContact CD1-CG1 4.2Å; Y695-I731 HydrophobicContact CD2-CG1 4.19Å; Y695-I731 HydrophobicContact CE1-CD1 3.8Å; Y695-I731 HydrophobicContact CE1-CG1 4.31Å; Y695-I731 HydrophobicContact CE2-CG1 4.3Å; Y695-I731 HydrophobicContact CG-CD1 4.47Å; Y695-I731 HydrophobicContact CG-CG1 4.14Å; L728-I731 HydrophobicContact CD2-CG2 4.11Å; L728-I731 WeakPolarHBondContact O-CG2 3.4Å; L728-I731 PolarHBondContact O-N 3.14Å; I731-F734 HydrophobicContact CD1-CD1 4.37Å; I731-F734 PolarHBondContact O-N 2.8Å; I731-H735 WeakPolarHBondContact O-CB 3.4Å; I731-H735 PolarHBondContact O-N 3.13Å; I731-L817 HydrophobicContact CD1-CD1 3.85Å; I731-F819 HydrophobicContact CD1-CE2 3.98Å; I731-F819 HydrophobicContact CD1-CZ 4.06Å
732	K	94.4	Very high	95	Very high	42 Å²	42	30.7 Å²	30.7	18%	0.183	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-48.4	174	-175.3	-177.8	69.3	179.9	0	111.2	A674 D676 L689 L728 V730 F734 H735 N736	A674-K732 HydrophobicContact CB-CG 4.24Å; D676-K732 IonicContact OD1-NZ 2.8Å; D676-K732 PolarHBondContact OD1-NZ 3.2Å; D676-K732 IonicContact OD2-NZ 2.64Å; D676-K732 PolarHBondContact OD2-NZ 3.11Å; L689-K732 HydrophobicContact CD1-CB 3.71Å; L689-K732 HydrophobicContact CD1-CG 4.16Å; L728-K732 WeakPolarHBondContact O-CB 3.27Å; L728-K732 PolarHBondContact O-N 3.13Å; V730-K732 VanDerWaalsContact C-N 3.35Å; V730-K732 PolarHBondContact O-N 2.77Å; K732-F734 VanDerWaalsContact C-N 3.34Å; K732-F734 PolarHBondContact O-N 2.87Å; K732-H735 PolarHBondContact O-N 3.05Å; K732-N736 WeakPolarHBondContact O-CB 3.33Å; K732-N736 PolarHBondContact O-N 3.28Å
733	R	94.5	Very high	94.9	Very high	127 Å²	127	27 Å²	27	48%	0.479	14%	0.138	S	C	.	.	H	α-helix	trans	-58.1	-46.6	177.2	176	173.2	-176.3	-93.5	-0.3	111.3	A729 V730 W737 Y789	A729-R733 WeakPolarHBondContact O-CB 3.45Å; A729-R733 PolarHBondContact O-N 3.28Å; V730-R733 PolarHBondContact O-N 3.11Å; R733-W737 WeakPolarHBondContact O-CB 3.5Å; R733-W737 PolarHBondContact O-N 3.37Å; R733-W737 VanDerWaalsContact O-N 3.15Å; R733-Y789 HydrophobicContact CG-CD1 4.48Å; R733-Y789 HydrophobicContact CG-CE1 3.79Å
734	F	94	Very high	94.9	Very high	23 Å²	23	31.4 Å²	31.4	10%	0.101	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-50.7	175.6	175.8	-96.7	0	0	0	112	F670 V730 I731 K732 N736 W737 V738 L817 F819	F670-F734 HydrophobicContact CE1-CE1 4.43Å; F670-F734 HydrophobicContact CZ-CE1 4.38Å; V730-F734 PolarHBondContact O-N 3.31Å; I731-F734 HydrophobicContact CD1-CD1 4.37Å; I731-F734 PolarHBondContact O-N 2.8Å; K732-F734 VanDerWaalsContact C-N 3.34Å; K732-F734 PolarHBondContact O-N 2.87Å; F734-N736 PolarHBondContact O-N 3.03Å; F734-W737 HydrophobicContact CD2-CE3 4.34Å; F734-W737 HydrophobicContact CE2-CE3 4.29Å; F734-W737 HydrophobicContact CE2-CZ3 4.15Å; F734-W737 WeakPolarHBondContact O-CB 3.22Å; F734-W737 PolarHBondContact O-N 2.91Å; F734-V738 HydrophobicContact CD1-CG2 4.22Å; F734-V738 HydrophobicContact CE1-CG2 3.73Å; F734-V738 HydrophobicContact CE2-CG2 4.06Å; F734-V738 HydrophobicContact CZ-CG2 3.64Å; F734-V738 WeakPolarHBondContact O-CG2 3.21Å; F734-V738 PolarHBondContact O-N 2.96Å; F734-L817 HydrophobicContact CD1-CD1 3.77Å; F734-L817 HydrophobicContact CE1-CD1 3.43Å; F734-L817 VanDerWaalsContact CE1-CD1 3.43Å; F734-L817 HydrophobicContact CE1-CD2 4.21Å; F734-L817 HydrophobicContact CE1-CG 4.44Å; F734-L817 HydrophobicContact CZ-CD1 4.33Å; F734-L817 HydrophobicContact CZ-CD2 4.34Å; F734-F819 HydrophobicContact CB-CE1 3.99Å; F734-F819 HydrophobicContact CB-CZ 3.87Å; F734-F819 HydrophobicContact CD1-CZ 4.34Å; F734-F819 HydrophobicContact CD2-CE1 4.42Å; F734-F819 HydrophobicContact CG-CE1 4.22Å; F734-F819 AromaticContact CG-CZ 3.99Å; F734-F819 HydrophobicContact CG-CZ 3.99Å
735	H	93.7	Very high	94.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-51	-178.2	-179.6	91.9	0	0	0	112.1	M669 F670 Q672 L689 Y695 I731 K732 W737 V738 V739	M669-H735 PolarHBondContact O-CE1 3.35Å; M669-H735 VanDerWaalsContact O-CE1 3.23Å; F670-H735 AromaticContact CD1-ND1 3.88Å; Q672-H735 PolarHBondContact O-NE2 3.34Å; L689-H735 HydrophobicContact CD2-CB 4.08Å; Y695-H735 HydrophobicContact CE2-CB 4.49Å; Y695-H735 AromaticContact CE2-ND1 3.46Å; Y695-H735 WeakPolarHBondContact CE2-ND1 3.42Å; Y695-H735 AromaticContact CZ-ND1 3.65Å; Y695-H735 PolarHBondContact OH-ND1 2.66Å; I731-H735 WeakPolarHBondContact O-CB 3.4Å; I731-H735 PolarHBondContact O-N 3.13Å; K732-H735 PolarHBondContact O-N 3.05Å; H735-W737 VanDerWaalsContact C-N 3.28Å; H735-W737 PolarHBondContact O-N 2.94Å; H735-V738 PolarHBondContact O-N 3.08Å; H735-V738 VanDerWaalsContact O-N 3.15Å; H735-V739 VanDerWaalsContact O-CG2 3.3Å; H735-V739 WeakPolarHBondContact O-CG2 3.35Å; H735-V739 PolarHBondContact O-N 2.75Å
736	N	95.7	Very high	94.7	Very high	37 Å²	37	31.6 Å²	31.6	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-35.3	-179.8	-68.6	-1.5	0	0	0	111.5	A674 K732 F734 V739 S740	A674-N736 PolarHBondContact N-OD1 2.83Å; A674-N736 PolarHBondContact O-ND2 3.14Å; K732-N736 WeakPolarHBondContact O-CB 3.33Å; K732-N736 PolarHBondContact O-N 3.28Å; F734-N736 PolarHBondContact O-N 3.03Å; N736-V739 PolarHBondContact O-N 2.71Å; N736-S740 WeakPolarHBondContact O-CB 3.5Å; N736-S740 PolarHBondContact O-N 3.15Å
737	W	95.7	Very high	94.8	Very high	8 Å²	8	29.4 Å²	29.4	3%	0.03	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-48.4	172.3	170.8	77.9	0	0	0	111.8	R733 F734 H735 V739 S740 T741 F782 E785 A786 Y789 L790	R733-W737 WeakPolarHBondContact O-CB 3.5Å; R733-W737 PolarHBondContact O-N 3.37Å; R733-W737 VanDerWaalsContact O-N 3.15Å; F734-W737 HydrophobicContact CD2-CE3 4.34Å; F734-W737 HydrophobicContact CE2-CE3 4.29Å; F734-W737 HydrophobicContact CE2-CZ3 4.15Å; F734-W737 WeakPolarHBondContact O-CB 3.22Å; F734-W737 PolarHBondContact O-N 2.91Å; H735-W737 VanDerWaalsContact C-N 3.28Å; H735-W737 PolarHBondContact O-N 2.94Å; W737-V739 VanDerWaalsContact C-N 3.34Å; W737-V739 PolarHBondContact O-N 3.18Å; W737-S740 PolarHBondContact O-N 3.06Å; W737-S740 VanDerWaalsContact O-N 3.09Å; W737-S740 PolarHBondContact O-OG 2.77Å; W737-T741 HydrophobicContact CZ2-CG2 4.11Å; W737-T741 PolarHBondContact O-N 2.88Å; W737-T741 VanDerWaalsContact O-N 3.12Å; W737-F782 AromaticContact CH2-CD2 3.64Å; W737-F782 HydrophobicContact CH2-CD2 3.64Å; W737-F782 AromaticContact CH2-CE2 3.6Å; W737-F782 HydrophobicContact CH2-CE2 3.6Å; W737-F782 AromaticContact CZ2-CD2 3.8Å; W737-F782 HydrophobicContact CZ2-CD2 3.8Å; W737-F782 HydrophobicContact CZ2-CE2 4.21Å; W737-E785 PolarHBondContact NE1-OE2 3.11Å; W737-A786 HydrophobicContact CH2-CB 4.08Å; W737-A786 HydrophobicContact CZ2-CB 3.97Å; W737-Y789 HydrophobicContact CB-CD1 3.66Å; W737-Y789 HydrophobicContact CB-CD2 4.46Å; W737-Y789 HydrophobicContact CB-CE1 3.48Å; W737-Y789 VanDerWaalsContact CB-CE1 3.48Å; W737-Y789 HydrophobicContact CB-CE2 4.35Å; W737-Y789 HydrophobicContact CB-CG 4.16Å; W737-Y789 AromaticContact CD1-CD2 3.54Å; W737-Y789 AromaticContact CD1-CE2 3.3Å; W737-Y789 AromaticContact CD1-CZ 3.57Å; W737-Y789 AromaticContact CD2-CD1 3.92Å; W737-Y789 HydrophobicContact CD2-CD1 3.92Å; W737-Y789 AromaticContact CD2-CD2 3.61Å; W737-Y789 HydrophobicContact CD2-CD2 3.61Å; W737-Y789 HydrophobicContact CD2-CE1 4.41Å; W737-Y789 HydrophobicContact CD2-CE2 4.17Å; W737-Y789 AromaticContact CD2-CG 3.48Å; W737-Y789 HydrophobicContact CD2-CG 3.48Å; W737-Y789 VanDerWaalsContact CD2-CG 3.48Å; W737-Y789 AromaticContact CE2-CD2 3.6Å; W737-Y789 AromaticContact CE2-CG 3.92Å; W737-Y789 HydrophobicContact CE3-CD1 4.21Å; W737-Y789 HydrophobicContact CE3-CD2 4.33Å; W737-Y789 AromaticContact CE3-CG 3.79Å; W737-Y789 HydrophobicContact CE3-CG 3.79Å; W737-Y789 AromaticContact CG-CD1 3.65Å; W737-Y789 HydrophobicContact CG-CD1 3.65Å; W737-Y789 AromaticContact CG-CD2 3.62Å; W737-Y789 HydrophobicContact CG-CD2 3.62Å; W737-Y789 AromaticContact CG-CE1 3.68Å; W737-Y789 HydrophobicContact CG-CE1 3.68Å; W737-Y789 AromaticContact CG-CE2 3.68Å; W737-Y789 HydrophobicContact CG-CE2 3.68Å; W737-Y789 AromaticContact CG-CG 3.61Å; W737-Y789 HydrophobicContact CG-CG 3.61Å; W737-Y789 AromaticContact CG-CZ 3.7Å; W737-Y789 HydrophobicContact CZ2-CD2 4.34Å; W737-Y789 AromaticContact NE1-CD2 3.5Å; W737-Y789 AromaticContact NE1-CE2 3.59Å; W737-L790 HydrophobicContact CH2-CD2 3.16Å; W737-L790 HydrophobicContact CZ2-CD2 4.25Å; W737-L790 HydrophobicContact CZ3-CD2 3.41Å; W737-L790 VanDerWaalsContact CZ3-CD2 3.41Å
738	V	93.7	Very high	94.7	Very high	22 Å²	22	35 Å²	35	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-46.2	177	-178.7	0	0	0	0	110.9	F670 F734 H735 S740 T741 N742	F670-V738 HydrophobicContact CB-CG1 3.93Å; F670-V738 HydrophobicContact CD1-CB 3.65Å; F670-V738 HydrophobicContact CD1-CG1 3.46Å; F670-V738 VanDerWaalsContact CD1-CG1 3.46Å; F670-V738 HydrophobicContact CD1-CG2 4.4Å; F670-V738 HydrophobicContact CD2-CG1 3.58Å; F670-V738 HydrophobicContact CE1-CB 3.75Å; F670-V738 HydrophobicContact CE1-CG1 3.7Å; F670-V738 HydrophobicContact CE1-CG2 3.98Å; F670-V738 HydrophobicContact CE2-CG1 3.79Å; F670-V738 HydrophobicContact CG-CB 4.11Å; F670-V738 HydrophobicContact CG-CG1 3.39Å; F670-V738 HydrophobicContact CZ-CB 4.28Å; F670-V738 HydrophobicContact CZ-CG1 3.85Å; F670-V738 HydrophobicContact CZ-CG2 4.24Å; F734-V738 HydrophobicContact CD1-CG2 4.22Å; F734-V738 HydrophobicContact CE1-CG2 3.73Å; F734-V738 HydrophobicContact CE2-CG2 4.06Å; F734-V738 HydrophobicContact CZ-CG2 3.64Å; F734-V738 WeakPolarHBondContact O-CG2 3.21Å; F734-V738 PolarHBondContact O-N 2.96Å; H735-V738 PolarHBondContact O-N 3.08Å; H735-V738 VanDerWaalsContact O-N 3.15Å; V738-S740 VanDerWaalsContact C-N 3.27Å; V738-S740 PolarHBondContact O-N 2.84Å; V738-T741 PolarHBondContact O-N 2.83Å; V738-T741 PolarHBondContact O-OG1 3.3Å; V738-N742 PolarHBondContact O-N 3.26Å
739	V	94.5	Very high	94.8	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-44	175.2	172.3	0	0	0	0	111.1	F670 Q672 E673 H735 N736 W737 T741 N742 L745 R778	F670-V739 HydrophobicContact CB-CG2 4.26Å; Q672-V739 WeakPolarHBondContact O-CG2 3.39Å; E673-V739 HydrophobicContact CG-CB 4.42Å; E673-V739 HydrophobicContact CG-CG1 3.77Å; H735-V739 VanDerWaalsContact O-CG2 3.3Å; H735-V739 WeakPolarHBondContact O-CG2 3.35Å; H735-V739 PolarHBondContact O-N 2.75Å; N736-V739 PolarHBondContact O-N 2.71Å; W737-V739 VanDerWaalsContact C-N 3.34Å; W737-V739 PolarHBondContact O-N 3.18Å; V739-T741 PolarHBondContact O-N 3.17Å; V739-N742 WeakPolarHBondContact O-CB 3.21Å; V739-N742 PolarHBondContact O-N 3.27Å; V739-L745 HydrophobicContact CG1-CD1 3.69Å; V739-R778 PolarHBondContact O-NH1 2.89Å
740	S	95.5	Very high	94.9	Very high	17 Å²	17	42 Å²	42	12%	0.119	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-17.9	179.6	83.5	0	0	0	0	114.3	N736 W737 V738 R778 K781	N736-S740 WeakPolarHBondContact O-CB 3.5Å; N736-S740 PolarHBondContact O-N 3.15Å; W737-S740 PolarHBondContact O-N 3.06Å; W737-S740 VanDerWaalsContact O-N 3.09Å; W737-S740 PolarHBondContact O-OG 2.77Å; V738-S740 VanDerWaalsContact C-N 3.27Å; V738-S740 PolarHBondContact O-N 2.84Å; S740-R778 WeakPolarHBondContact O-CG 3.5Å; S740-K781 WeakPolarHBondContact OG-CE 3.47Å; S740-K781 PolarHBondContact OG-NZ 3.15Å
741	T	95.8	Very high	95	Very high	15 Å²	15	49.3 Å²	49.3	9%	0.092	22%	0.22	C	C	.	.	H	α-helix	trans	-100.7	-7	176	64.4	0	0	0	0	113.3	W737 V738 V739 V743 K781 F782	W737-T741 HydrophobicContact CZ2-CG2 4.11Å; W737-T741 PolarHBondContact O-N 2.88Å; W737-T741 VanDerWaalsContact O-N 3.12Å; V738-T741 PolarHBondContact O-N 2.83Å; V738-T741 PolarHBondContact O-OG1 3.3Å; V739-T741 PolarHBondContact O-N 3.17Å; T741-V743 PolarHBondContact O-N 2.98Å; T741-V743 VanDerWaalsContact O-N 3.09Å; T741-K781 HydrophobicContact CG2-CB 4.37Å; T741-K781 HydrophobicContact CG2-CD 4.3Å; T741-K781 HydrophobicContact CG2-CG 4.12Å; T741-F782 HydrophobicContact CG2-CB 3.97Å; T741-F782 HydrophobicContact CG2-CD2 4.43Å
742	N	94.6	Very high	95.2	Very high	37 Å²	37	56.5 Å²	56.5	20%	0.198	25%	0.253	C	S	.	.			trans	-69.5	107	-179.5	-175.3	-11.8	0	0	0	111.3	F670 V738 V739 L744 L745 R778	F670-N742 PolarHBondContact O-ND2 3.46Å; V738-N742 PolarHBondContact O-N 3.26Å; V739-N742 WeakPolarHBondContact O-CB 3.21Å; V739-N742 PolarHBondContact O-N 3.27Å; N742-L744 PolarHBondContact O-N 3.33Å; N742-L744 WeakPolarHBondContact OD1-CB 3.23Å; N742-L744 PolarHBondContact OD1-N 2.88Å; N742-L745 HydrophobicContact CB-CD1 4.17Å; N742-L745 HydrophobicContact CB-CG 4.25Å; N742-L745 PolarHBondContact O-N 3.09Å; N742-R778 WeakPolarHBondContact O-CD 3.5Å; N742-R778 PolarHBondContact O-NH1 3.39Å
743	V	95.4	Very high	95.3	Very high	42 Å²	42	59.5 Å²	59.5	26%	0.255	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-26.2	-178.7	-60.5	0	0	0	0	113.6	T741 L745 A746 E747 P775 R778 R779	T741-V743 PolarHBondContact O-N 2.98Å; T741-V743 VanDerWaalsContact O-N 3.09Å; V743-L745 VanDerWaalsContact C-N 3.26Å; V743-L745 PolarHBondContact O-N 3.19Å; V743-A746 PolarHBondContact O-N 3.23Å; V743-E747 PolarHBondContact O-N 3.16Å; V743-E747 VanDerWaalsContact O-N 3.16Å; V743-P775 HydrophobicContact CB-CB 4.1Å; V743-P775 HydrophobicContact CG1-CB 4.15Å; V743-R778 HydrophobicContact CG1-CB 4.21Å; V743-R779 HydrophobicContact CG1-CG 3.86Å
744	L	93.9	Very high	95.4	Very high	97 Å²	97	56.5 Å²	56.5	51%	0.508	28%	0.276	S	S	.	.	H	α-helix	trans	-68.5	-28.9	-178.3	-61.7	178.1	0	0	0	111.8	N742 E747 R748	N742-L744 PolarHBondContact O-N 3.33Å; N742-L744 WeakPolarHBondContact OD1-CB 3.23Å; N742-L744 PolarHBondContact OD1-N 2.88Å; L744-E747 PolarHBondContact O-N 2.82Å; L744-R748 WeakPolarHBondContact O-CB 3.26Å; L744-R748 VanDerWaalsContact O-CG 3.25Å; L744-R748 WeakPolarHBondContact O-CG 3.2Å; L744-R748 PolarHBondContact O-N 3Å
745	L	94.1	Very high	95.6	Very high	27 Å²	27	59 Å²	59	14%	0.141	29%	0.291	C	S	.	.	H	α-helix	trans	-72.6	-37.9	176.8	-65.5	179.3	0	0	0	111.7	N671 V739 N742 V743 E747 R748 Y749	N671-L745 HydrophobicContact CB-CD2 4.4Å; N671-L745 WeakPolarHBondContact O-CD2 3.1Å; V739-L745 HydrophobicContact CG1-CD1 3.69Å; N742-L745 HydrophobicContact CB-CD1 4.17Å; N742-L745 HydrophobicContact CB-CG 4.25Å; N742-L745 PolarHBondContact O-N 3.09Å; V743-L745 VanDerWaalsContact C-N 3.26Å; V743-L745 PolarHBondContact O-N 3.19Å; L745-E747 VanDerWaalsContact C-N 3.33Å; L745-E747 PolarHBondContact O-N 3.07Å; L745-R748 PolarHBondContact O-N 3.25Å; L745-Y749 WeakPolarHBondContact O-CB 3.2Å; L745-Y749 PolarHBondContact O-N 3.41Å
746	A	95.7	Very high	95.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-42.8	170.8	0	0	0	0	0	111.5	V743 Y749 K750 Y756 D773	V743-A746 PolarHBondContact O-N 3.23Å; A746-Y749 PolarHBondContact O-N 3.46Å; A746-K750 PolarHBondContact O-N 3.32Å; A746-Y756 HydrophobicContact CB-CD1 4.24Å; A746-Y756 HydrophobicContact CB-CE1 4.36Å; A746-Y756 WeakPolarHBondContact O-CD1 3.4Å; A746-D773 WeakPolarHBondContact CB-O 3.37Å
747	E	96.3	Very high	95.8	Very high	62 Å²	62	60 Å²	60	29%	0.29	30%	0.296	S	S	.	.	H	α-helix	trans	-67.8	-32.7	175.8	-72.7	-59.4	146.6	0	0	113.4	V743 L744 L745 R751 Y756 P775	V743-E747 PolarHBondContact O-N 3.16Å; V743-E747 VanDerWaalsContact O-N 3.16Å; L744-E747 PolarHBondContact O-N 2.82Å; L745-E747 VanDerWaalsContact C-N 3.33Å; L745-E747 PolarHBondContact O-N 3.07Å; E747-R751 WeakPolarHBondContact O-CG 3.25Å; E747-R751 PolarHBondContact O-N 3.01Å; E747-R751 PolarHBondContact O-NE 2.98Å; E747-R751 VanDerWaalsContact O-NE 3.15Å; E747-Y756 PolarHBondContact OE1-OH 3.31Å; E747-P775 HydrophobicContact CG-CG 4.02Å; E747-P775 WeakPolarHBondContact OE1-CG 3.41Å
748	R	94.8	Very high	95.9	Very high	118 Å²	118	64.4 Å²	64.4	45%	0.445	32%	0.324	S	S	.	.	H	α-helix	trans	-68.1	-47.3	172.4	-76.2	174.4	-169.9	-172.8	2.2	110.8	L744 L745 K750 R751 E752	L744-R748 WeakPolarHBondContact O-CB 3.26Å; L744-R748 VanDerWaalsContact O-CG 3.25Å; L744-R748 WeakPolarHBondContact O-CG 3.2Å; L744-R748 PolarHBondContact O-N 3Å; L745-R748 PolarHBondContact O-N 3.25Å; R748-K750 PolarHBondContact O-N 3.04Å; R748-R751 WeakPolarHBondContact O-CB 3.36Å; R748-R751 PolarHBondContact O-N 2.75Å; R748-R751 VanDerWaalsContact O-N 3.11Å; R748-E752 PolarHBondContact O-N 3.36Å
749	Y	96	Very high	96.1	Very high	96 Å²	96	64.2 Å²	64.2	38%	0.376	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-48.9	177.5	-173.4	-78.2	0	0	0	111.7	L745 A746 R751 E752 H753 D755 A757	L745-Y749 WeakPolarHBondContact O-CB 3.2Å; L745-Y749 PolarHBondContact O-N 3.41Å; A746-Y749 PolarHBondContact O-N 3.46Å; Y749-R751 VanDerWaalsContact C-N 3.29Å; Y749-R751 PolarHBondContact O-N 3.15Å; Y749-E752 PolarHBondContact O-N 3.22Å; Y749-E752 VanDerWaalsContact O-N 3.1Å; Y749-H753 HydrophobicContact CD1-CB 4.23Å; Y749-H753 AromaticContact CD1-CD2 3.69Å; Y749-H753 AromaticContact CD2-CD2 3.49Å; Y749-H753 VanDerWaalsContact CD2-CD2 3.49Å; Y749-H753 WeakPolarHBondContact CD2-CD2 3.46Å; Y749-H753 AromaticContact CD2-NE2 3.88Å; Y749-H753 HydrophobicContact CE1-CB 3.77Å; Y749-H753 AromaticContact CE1-CD2 3.51Å; Y749-H753 AromaticContact CE1-CG 3.86Å; Y749-H753 AromaticContact CE2-CD2 3.33Å; Y749-H753 WeakPolarHBondContact CE2-CD2 3.33Å; Y749-H753 AromaticContact CE2-NE2 3.62Å; Y749-H753 AromaticContact CG-CD2 3.67Å; Y749-H753 AromaticContact CZ-CD2 3.34Å; Y749-H753 AromaticContact CZ-CG 3.83Å; Y749-H753 AromaticContact CZ-NE2 3.97Å; Y749-H753 PolarHBondContact O-CD2 2.94Å; Y749-H753 PolarHBondContact O-N 3.46Å; Y749-D755 VanDerWaalsContact CD1-O 3.3Å; Y749-D755 WeakPolarHBondContact CD1-O 3.15Å; Y749-D755 WeakPolarHBondContact CE1-O 3.42Å; Y749-A757 HydrophobicContact CD1-CB 3.91Å; Y749-A757 VanDerWaalsContact CD1-N 3.35Å; Y749-A757 HydrophobicContact CD2-CB 4.27Å; Y749-A757 VanDerWaalsContact CE1-CA 3.45Å; Y749-A757 HydrophobicContact CE1-CB 3.57Å; Y749-A757 VanDerWaalsContact CE1-N 3.28Å; Y749-A757 HydrophobicContact CE2-CB 3.92Å; Y749-A757 HydrophobicContact CG-CB 4.27Å
750	K	97.3	Very high	96.1	Very high	79 Å²	79	70.7 Å²	70.7	34%	0.343	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-39.1	177.1	173.5	177	170.5	-170.5	0	112.7	A746 R748 E752 G754 D755 Y756	A746-K750 PolarHBondContact O-N 3.32Å; R748-K750 PolarHBondContact O-N 3.04Å; K750-E752 VanDerWaalsContact C-N 3.29Å; K750-E752 PolarHBondContact O-N 3.15Å; K750-G754 CarbonylContact O-C 3.53Å; K750-G754 VanDerWaalsContact O-CA 3.25Å; K750-G754 WeakPolarHBondContact O-CA 3.42Å; K750-G754 PolarHBondContact O-N 2.92Å; K750-D755 WeakPolarHBondContact CA-O 3.47Å; K750-Y756 HydrophobicContact CB-CD1 3.71Å; K750-Y756 HydrophobicContact CB-CE1 3.71Å; K750-Y756 HydrophobicContact CB-CG 4.31Å; K750-Y756 HydrophobicContact CD-CD1 4.09Å; K750-Y756 HydrophobicContact CD-CD2 4.07Å; K750-Y756 HydrophobicContact CD-CE1 3.56Å; K750-Y756 HydrophobicContact CD-CE2 3.58Å; K750-Y756 HydrophobicContact CD-CG 4.31Å; K750-Y756 HydrophobicContact CG-CD1 4.46Å; K750-Y756 HydrophobicContact CG-CE1 4.27Å; K750-Y756 PolarHBondContact NZ-OH 3.4Å
751	R	96.5	Very high	96.1	Very high	181 Å²	181	72.6 Å²	72.6	68%	0.683	38%	0.381	S	S	*	.	H	α-helix	trans	-65	-34.5	176.7	-80.6	-176.9	-75.5	-172.8	-2.8	112.4	E747 R748 Y749	E747-R751 WeakPolarHBondContact O-CG 3.25Å; E747-R751 PolarHBondContact O-N 3.01Å; E747-R751 PolarHBondContact O-NE 2.98Å; E747-R751 VanDerWaalsContact O-NE 3.15Å; R748-R751 WeakPolarHBondContact O-CB 3.36Å; R748-R751 PolarHBondContact O-N 2.75Å; R748-R751 VanDerWaalsContact O-N 3.11Å; Y749-R751 VanDerWaalsContact C-N 3.29Å; Y749-R751 PolarHBondContact O-N 3.15Å
752	E	96.9	Very high	96.2	Very high	151 Å²	151	76 Å²	76	71%	0.706	40%	0.403	S	S	*	.	H	α-helix	trans	-81.1	-37.6	-179.4	-172.5	171.6	178.8	0	0	113.1	R748 Y749 K750	R748-E752 PolarHBondContact O-N 3.36Å; Y749-E752 PolarHBondContact O-N 3.22Å; Y749-E752 VanDerWaalsContact O-N 3.1Å; K750-E752 VanDerWaalsContact C-N 3.29Å; K750-E752 PolarHBondContact O-N 3.15Å
753	H	97	Very high	96.3	Very high	105 Å²	105	76.1 Å²	76.1	49%	0.486	41%	0.405	S	S	.	.	H	α-helix	trans	-111	-2.3	-171.5	-59.3	-67.6	0	0	0	114.6	Y749 D755	Y749-H753 HydrophobicContact CD1-CB 4.23Å; Y749-H753 AromaticContact CD1-CD2 3.69Å; Y749-H753 AromaticContact CD2-CD2 3.49Å; Y749-H753 VanDerWaalsContact CD2-CD2 3.49Å; Y749-H753 WeakPolarHBondContact CD2-CD2 3.46Å; Y749-H753 AromaticContact CD2-NE2 3.88Å; Y749-H753 HydrophobicContact CE1-CB 3.77Å; Y749-H753 AromaticContact CE1-CD2 3.51Å; Y749-H753 AromaticContact CE1-CG 3.86Å; Y749-H753 AromaticContact CE2-CD2 3.33Å; Y749-H753 WeakPolarHBondContact CE2-CD2 3.33Å; Y749-H753 AromaticContact CE2-NE2 3.62Å; Y749-H753 AromaticContact CG-CD2 3.67Å; Y749-H753 AromaticContact CZ-CD2 3.34Å; Y749-H753 AromaticContact CZ-CG 3.83Å; Y749-H753 AromaticContact CZ-NE2 3.97Å; Y749-H753 PolarHBondContact O-CD2 2.94Å; Y749-H753 PolarHBondContact O-N 3.46Å; H753-D755 PolarHBondContact O-N 2.91Å
754	G	97	Very high	96.4	Very high	64 Å²	64	78.3 Å²	78.3	66%	0.66	42%	0.419	S	S	*	.	S	Bend	trans	82.1	-17.2	179.3	0	0	0	0	0	115.4	K750	K750-G754 CarbonylContact O-C 3.53Å; K750-G754 VanDerWaalsContact O-CA 3.25Å; K750-G754 WeakPolarHBondContact O-CA 3.42Å; K750-G754 PolarHBondContact O-N 2.92Å
755	D	97.1	Very high	96.5	Very high	75 Å²	75	75 Å²	75	40%	0.401	40%	0.399	S	S	.	.	S	Bend	trans	-145	163.2	175.1	-170.8	23.6	0	0	0	110.6	Y749 K750 H753 K772	Y749-D755 VanDerWaalsContact CD1-O 3.3Å; Y749-D755 WeakPolarHBondContact CD1-O 3.15Å; Y749-D755 WeakPolarHBondContact CE1-O 3.42Å; K750-D755 WeakPolarHBondContact CA-O 3.47Å; H753-D755 PolarHBondContact O-N 2.91Å; D755-K772 IonicContact OD2-NZ 2.79Å; D755-K772 PolarHBondContact OD2-NZ 2.83Å
756	Y	97.8	Very high	96.4	Very high	39 Å²	39	79.8 Å²	79.8	15%	0.153	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-66.9	147.9	172.2	-62.3	-68.1	0	0	0	111.1	A746 E747 K750 N774 P775	A746-Y756 HydrophobicContact CB-CD1 4.24Å; A746-Y756 HydrophobicContact CB-CE1 4.36Å; A746-Y756 WeakPolarHBondContact O-CD1 3.4Å; E747-Y756 PolarHBondContact OE1-OH 3.31Å; K750-Y756 HydrophobicContact CB-CD1 3.71Å; K750-Y756 HydrophobicContact CB-CE1 3.71Å; K750-Y756 HydrophobicContact CB-CG 4.31Å; K750-Y756 HydrophobicContact CD-CD1 4.09Å; K750-Y756 HydrophobicContact CD-CD2 4.07Å; K750-Y756 HydrophobicContact CD-CE1 3.56Å; K750-Y756 HydrophobicContact CD-CE2 3.58Å; K750-Y756 HydrophobicContact CD-CG 4.31Å; K750-Y756 HydrophobicContact CG-CD1 4.46Å; K750-Y756 HydrophobicContact CG-CE1 4.27Å; K750-Y756 PolarHBondContact NZ-OH 3.4Å; Y756-N774 HydrophobicContact CD1-CB 3.91Å; Y756-N774 HydrophobicContact CD2-CB 3.55Å; Y756-N774 HydrophobicContact CE1-CB 4.17Å; Y756-N774 HydrophobicContact CE2-CB 3.79Å; Y756-N774 HydrophobicContact CG-CB 3.61Å; Y756-P775 VanDerWaalsContact CE1-CD 3.43Å; Y756-P775 HydrophobicContact CE1-CG 4.28Å
757	A	96.7	Very high	96.3	Very high	19 Å²	19	83.2 Å²	83.2	16%	0.157	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	143.2	177.8	0	0	0	0	0	110.8	Y749 K772 D773	Y749-A757 HydrophobicContact CD1-CB 3.91Å; Y749-A757 VanDerWaalsContact CD1-N 3.35Å; Y749-A757 HydrophobicContact CD2-CB 4.27Å; Y749-A757 VanDerWaalsContact CE1-CA 3.45Å; Y749-A757 HydrophobicContact CE1-CB 3.57Å; Y749-A757 VanDerWaalsContact CE1-N 3.28Å; Y749-A757 HydrophobicContact CE2-CB 3.92Å; Y749-A757 HydrophobicContact CG-CB 4.27Å; A757-K772 CarbonylContact O-C 3.58Å; A757-K772 WeakPolarHBondContact O-CA 3.43Å; A757-D773 HydrophobicContact CB-CB 4.15Å; A757-D773 PolarHBondContact O-N 2.96Å
758	T	97.8	Very high	96.4	Very high	100 Å²	100	83.6 Å²	83.6	61%	0.613	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.8	172.6	-57.2	0	0	0	0	109.4	K772	T758-K772 PolarHBondContact OG1-NZ 3.45Å
759	L	96.9	Very high	96.5	Very high	18 Å²	18	81.8 Å²	81.8	9%	0.094	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.9	175.4	-65.4	172.9	0	0	0	109.9	A761 V763 Y770 E771 D773 Y777	L759-A761 WeakPolarHBondContact CB-O 3.34Å; L759-A761 PolarHBondContact O-N 3.13Å; L759-A761 VanDerWaalsContact O-N 3.12Å; L759-V763 HydrophobicContact CD1-CB 4.47Å; L759-V763 HydrophobicContact CD1-CG2 4.23Å; L759-Y770 WeakPolarHBondContact CD1-O 3.44Å; L759-E771 PolarHBondContact N-O 3.45Å; L759-D773 HydrophobicContact CD2-CB 3.83Å; L759-Y777 HydrophobicContact CD1-CD1 4.41Å; L759-Y777 HydrophobicContact CD1-CD2 3.77Å; L759-Y777 HydrophobicContact CD1-CE1 4.41Å; L759-Y777 HydrophobicContact CD1-CE2 3.74Å; L759-Y777 HydrophobicContact CD1-CG 4.11Å; L759-Y777 HydrophobicContact CD2-CD1 4.07Å; L759-Y777 HydrophobicContact CD2-CE1 3.62Å; L759-Y777 HydrophobicContact CD2-CE2 4.26Å
760	P	95.1	Very high	96.6	Very high	143 Å²	143	79 Å²	79	93%	0.929	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	-31.5	179.5	-26.6	34.5	0	0	0	113.8
761	A	96.2	Very high	96.6	Very high	57 Å²	57	81.2 Å²	81.2	47%	0.471	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	153.9	169.6	0	0	0	0	0	109.2	L759 V763	L759-A761 WeakPolarHBondContact CB-O 3.34Å; L759-A761 PolarHBondContact O-N 3.13Å; L759-A761 VanDerWaalsContact O-N 3.12Å; A761-V763 PolarHBondContact O-N 3.06Å
762	P	97	Very high	96.7	Very high	86 Å²	86	75.6 Å²	75.6	56%	0.558	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.8	134.2	171.5	-23.5	33.7	0	0	0	111.6	T769 Y770 E771	P762-T769 HydrophobicContact CB-CG2 3.87Å; P762-Y770 CarbonylContact C-O 3.5Å; P762-Y770 WeakPolarHBondContact CA-O 3.48Å; P762-E771 HydrophobicContact CB-CG 4.2Å; P762-E771 HydrophobicContact CG-CG 4.24Å
763	V	96.8	Very high	96.7	Very high	39 Å²	39	69.7 Å²	69.7	24%	0.236	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.7	179.4	-179.5	0	0	0	0	109.4	L759 A761 Y765 Y770 Y777	L759-V763 HydrophobicContact CD1-CB 4.47Å; L759-V763 HydrophobicContact CD1-CG2 4.23Å; A761-V763 PolarHBondContact O-N 3.06Å; V763-Y765 HydrophobicContact CG1-CD1 4.14Å; V763-Y765 HydrophobicContact CG1-CD2 4.01Å; V763-Y765 HydrophobicContact CG1-CE1 3.77Å; V763-Y765 HydrophobicContact CG1-CE2 3.58Å; V763-Y765 HydrophobicContact CG1-CG 4.26Å; V763-Y765 VanDerWaalsContact CG1-CZ 3.46Å; V763-Y770 PolarHBondContact N-O 3.37Å; V763-Y770 PolarHBondContact O-N 2.9Å; V763-Y777 HydrophobicContact CB-CE2 4.04Å; V763-Y777 HydrophobicContact CG1-CE2 4.17Å; V763-Y777 HydrophobicContact CG2-CE2 4.21Å
764	V	97.2	Very high	96.8	Very high	89 Å²	89	66.4 Å²	66.4	54%	0.539	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.7	177.3	-175.3	0	0	0	0	109.8	T768 T769	V764-T768 WeakPolarHBondContact CA-O 3.3Å; V764-T769 HydrophobicContact CG2-CG2 4.36Å
765	Y	96.7	Very high	96.8	Very high	26 Å²	26	63.9 Å²	63.9	10%	0.102	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.8	171.4	-67.6	-43.1	0	0	0	109.7	V763 G767 T768 Y770 Y777 A780 K781 V784 E785	V763-Y765 HydrophobicContact CG1-CD1 4.14Å; V763-Y765 HydrophobicContact CG1-CD2 4.01Å; V763-Y765 HydrophobicContact CG1-CE1 3.77Å; V763-Y765 HydrophobicContact CG1-CE2 3.58Å; V763-Y765 HydrophobicContact CG1-CG 4.26Å; V763-Y765 VanDerWaalsContact CG1-CZ 3.46Å; Y765-G767 PolarHBondContact O-N 2.88Å; Y765-T768 PolarHBondContact N-O 3.48Å; Y765-T768 PolarHBondContact O-N 2.84Å; Y765-Y770 HydrophobicContact CD2-CD2 4.32Å; Y765-Y770 HydrophobicContact CD2-CE2 4.4Å; Y765-Y777 HydrophobicContact CD2-CD2 4.31Å; Y765-Y777 HydrophobicContact CD2-CE2 4.29Å; Y765-Y777 HydrophobicContact CE2-CD2 4.01Å; Y765-Y777 AromaticContact CE2-CE2 3.58Å; Y765-Y777 HydrophobicContact CE2-CE2 3.58Å; Y765-A780 HydrophobicContact CD2-CB 3.96Å; Y765-A780 HydrophobicContact CG-CB 4.44Å; Y765-K781 HydrophobicContact CD2-CB 4.43Å; Y765-K781 HydrophobicContact CE2-CB 3.67Å; Y765-K781 HydrophobicContact CE2-CG 4.05Å; Y765-V784 HydrophobicContact CD1-CB 3.99Å; Y765-V784 HydrophobicContact CD1-CG1 3.85Å; Y765-V784 HydrophobicContact CD1-CG2 3.93Å; Y765-V784 HydrophobicContact CE1-CB 4.32Å; Y765-V784 HydrophobicContact CE1-CG1 4.04Å; Y765-V784 HydrophobicContact CG-CB 4.43Å; Y765-V784 HydrophobicContact CG-CG2 4.05Å; Y765-E785 PolarHBondContact OH-OE1 2.79Å
766	N	91.4	Very high	96.8	Very high	128 Å²	128	62.4 Å²	62.4	68%	0.684	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	42	179.7	-60.9	-22.5	0	0	0	113.2	T768	N766-T768 PolarHBondContact O-N 2.63Å
767	G	94.4	Very high	96.8	Very high	73 Å²	73	61.5 Å²	61.5	75%	0.753	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-0.7	-179.8	0	0	0	0	0	115.5	Y765	Y765-G767 PolarHBondContact O-N 2.88Å
768	T	97.2	Very high	96.9	Very high	70 Å²	70	61.6 Å²	61.6	43%	0.429	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.2	174.6	-55.8	0	0	0	0	110	V764 Y765 N766 Y770	V764-T768 WeakPolarHBondContact CA-O 3.3Å; Y765-T768 PolarHBondContact N-O 3.48Å; Y765-T768 PolarHBondContact O-N 2.84Å; N766-T768 PolarHBondContact O-N 2.63Å; T768-Y770 HydrophobicContact CG2-CD2 4.4Å; T768-Y770 HydrophobicContact CG2-CE1 4.1Å; T768-Y770 HydrophobicContact CG2-CE2 3.76Å; T768-Y770 VanDerWaalsContact O-CD2 3.31Å; T768-Y770 WeakPolarHBondContact O-CD2 3.22Å; T768-Y770 VanDerWaalsContact O-CE2 3.31Å; T768-Y770 WeakPolarHBondContact O-CE2 3.47Å
769	T	98.1	Very high	96.8	Very high	80 Å²	80	63.6 Å²	63.6	49%	0.491	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.5	173.9	-54	0	0	0	0	110.4	P762 V764	P762-T769 HydrophobicContact CB-CG2 3.87Å; V764-T769 HydrophobicContact CG2-CG2 4.36Å
770	Y	98	Very high	96.9	Very high	37 Å²	37	63.3 Å²	63.3	15%	0.145	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.6	175.2	-59.9	-89.2	0	0	0	109.3	L759 P762 V763 Y765 T768 A776 Y777 A780	L759-Y770 WeakPolarHBondContact CD1-O 3.44Å; P762-Y770 CarbonylContact C-O 3.5Å; P762-Y770 WeakPolarHBondContact CA-O 3.48Å; V763-Y770 PolarHBondContact N-O 3.37Å; V763-Y770 PolarHBondContact O-N 2.9Å; Y765-Y770 HydrophobicContact CD2-CD2 4.32Å; Y765-Y770 HydrophobicContact CD2-CE2 4.4Å; T768-Y770 HydrophobicContact CG2-CD2 4.4Å; T768-Y770 HydrophobicContact CG2-CE1 4.1Å; T768-Y770 HydrophobicContact CG2-CE2 3.76Å; T768-Y770 VanDerWaalsContact O-CD2 3.31Å; T768-Y770 WeakPolarHBondContact O-CD2 3.22Å; T768-Y770 VanDerWaalsContact O-CE2 3.31Å; T768-Y770 WeakPolarHBondContact O-CE2 3.47Å; Y770-A776 HydrophobicContact CE1-CB 4.03Å; Y770-Y777 HydrophobicContact CD2-CD2 4.34Å; Y770-Y777 AromaticContact CG-CD2 3.94Å; Y770-Y777 HydrophobicContact CG-CD2 3.94Å; Y770-Y777 HydrophobicContact CG-CG 4.43Å; Y770-A780 HydrophobicContact CE1-CB 4.49Å; Y770-A780 HydrophobicContact CE2-CB 3.83Å; Y770-A780 WeakPolarHBondContact OH-CB 3.01Å
771	E	98	Very high	97	Very high	125 Å²	125	58 Å²	58	58%	0.584	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	-8.7	175.4	-60.4	-178.8	175.9	0	0	112.2	L759 P762	L759-E771 PolarHBondContact N-O 3.45Å; P762-E771 HydrophobicContact CB-CG 4.2Å; P762-E771 HydrophobicContact CG-CG 4.24Å
772	K	97.9	Very high	97	Very high	63 Å²	63	58.9 Å²	58.9	27%	0.274	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.4	-174.8	-65.9	-72.5	-176.2	163.6	0	110.4	D755 A757 T758 N774 Y777	D755-K772 IonicContact OD2-NZ 2.79Å; D755-K772 PolarHBondContact OD2-NZ 2.83Å; A757-K772 CarbonylContact O-C 3.58Å; A757-K772 WeakPolarHBondContact O-CA 3.43Å; T758-K772 PolarHBondContact OG1-NZ 3.45Å; K772-N774 PolarHBondContact O-N 2.83Å; K772-Y777 WeakPolarHBondContact O-CB 3.32Å
773	D	97.2	Very high	96.9	Very high	27 Å²	27	59.3 Å²	59.3	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	75.6	172.1	-176	12.8	0	0	0	110.5	A746 A757 L759 Y777 R778	A746-D773 WeakPolarHBondContact CB-O 3.37Å; A757-D773 HydrophobicContact CB-CB 4.15Å; A757-D773 PolarHBondContact O-N 2.96Å; L759-D773 HydrophobicContact CD2-CB 3.83Å; D773-Y777 HydrophobicContact CB-CD1 4.4Å; D773-Y777 WeakPolarHBondContact OD1-CD1 3.02Å; D773-R778 WeakPolarHBondContact OD1-CD 3.37Å; D773-R778 WeakPolarHBondContact OD1-CG 3.45Å; D773-R778 IonicContact OD1-CZ 3.23Å; D773-R778 IonicContact OD1-NE 3.17Å; D773-R778 PolarHBondContact OD1-NE 3.09Å; D773-R778 IonicContact OD1-NH2 2.7Å; D773-R778 IonicContact OD2-CZ 3.18Å; D773-R778 IonicContact OD2-NE 3.62Å; D773-R778 PolarHBondContact OD2-NE 3.45Å; D773-R778 IonicContact OD2-NH2 3.17Å; D773-R778 PolarHBondContact OD2-NH2 3.06Å
774	N	97.7	Very high	96.8	Very high	37 Å²	37	60 Å²	60	20%	0.198	33%	0.331	C	S	.	.			trans	-110.4	169.8	-179.4	68.4	35.5	0	0	0	110.9	Y756 K772 A776 Y777 R778	Y756-N774 HydrophobicContact CD1-CB 3.91Å; Y756-N774 HydrophobicContact CD2-CB 3.55Å; Y756-N774 HydrophobicContact CE1-CB 4.17Å; Y756-N774 HydrophobicContact CE2-CB 3.79Å; Y756-N774 HydrophobicContact CG-CB 3.61Å; K772-N774 PolarHBondContact O-N 2.83Å; N774-A776 PolarHBondContact O-N 3.03Å; N774-A776 VanDerWaalsContact O-N 3.14Å; N774-A776 WeakPolarHBondContact OD1-CA 3.2Å; N774-A776 WeakPolarHBondContact OD1-CB 3.32Å; N774-A776 PolarHBondContact OD1-N 2.83Å; N774-Y777 WeakPolarHBondContact O-CB 3.44Å; N774-Y777 PolarHBondContact O-N 3.49Å; N774-Y777 VanDerWaalsContact O-N 3.15Å; N774-Y777 PolarHBondContact OD1-N 3.41Å; N774-R778 PolarHBondContact O-N 3.12Å
775	P	97.9	Very high	96.8	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.071	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-29.3	178.9	-27.6	33.2	0	0	0	114.7	V743 E747 Y756 R779	V743-P775 HydrophobicContact CB-CB 4.1Å; V743-P775 HydrophobicContact CG1-CB 4.15Å; E747-P775 HydrophobicContact CG-CG 4.02Å; E747-P775 WeakPolarHBondContact OE1-CG 3.41Å; Y756-P775 VanDerWaalsContact CE1-CD 3.43Å; Y756-P775 HydrophobicContact CE1-CG 4.28Å; P775-R779 WeakPolarHBondContact O-CB 3.38Å; P775-R779 WeakPolarHBondContact O-CG 3.4Å; P775-R779 PolarHBondContact O-N 3.25Å; P775-R779 PolarHBondContact O-NE 2.92Å
776	A	97.6	Very high	96.6	Very high	43 Å²	43	56.6 Å²	56.6	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-70.9	-44.6	177.6	0	0	0	0	0	111.1	Y770 N774 R779 A780	Y770-A776 HydrophobicContact CE1-CB 4.03Å; N774-A776 PolarHBondContact O-N 3.03Å; N774-A776 VanDerWaalsContact O-N 3.14Å; N774-A776 WeakPolarHBondContact OD1-CA 3.2Å; N774-A776 WeakPolarHBondContact OD1-CB 3.32Å; N774-A776 PolarHBondContact OD1-N 2.83Å; A776-R779 PolarHBondContact O-N 3.18Å; A776-A780 VanDerWaalsContact O-CB 3.3Å; A776-A780 WeakPolarHBondContact O-CB 3.46Å; A776-A780 PolarHBondContact O-N 3.36Å
777	Y	98	Very high	96.6	Very high	20 Å²	20	54.6 Å²	54.6	8%	0.078	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-51.5	171.7	164.9	-105.9	0	0	0	111	L759 V763 Y765 Y770 K772 D773 N774 R779 A780 K781	L759-Y777 HydrophobicContact CD1-CD1 4.41Å; L759-Y777 HydrophobicContact CD1-CD2 3.77Å; L759-Y777 HydrophobicContact CD1-CE1 4.41Å; L759-Y777 HydrophobicContact CD1-CE2 3.74Å; L759-Y777 HydrophobicContact CD1-CG 4.11Å; L759-Y777 HydrophobicContact CD2-CD1 4.07Å; L759-Y777 HydrophobicContact CD2-CE1 3.62Å; L759-Y777 HydrophobicContact CD2-CE2 4.26Å; V763-Y777 HydrophobicContact CB-CE2 4.04Å; V763-Y777 HydrophobicContact CG1-CE2 4.17Å; V763-Y777 HydrophobicContact CG2-CE2 4.21Å; Y765-Y777 HydrophobicContact CD2-CD2 4.31Å; Y765-Y777 HydrophobicContact CD2-CE2 4.29Å; Y765-Y777 HydrophobicContact CE2-CD2 4.01Å; Y765-Y777 AromaticContact CE2-CE2 3.58Å; Y765-Y777 HydrophobicContact CE2-CE2 3.58Å; Y770-Y777 HydrophobicContact CD2-CD2 4.34Å; Y770-Y777 AromaticContact CG-CD2 3.94Å; Y770-Y777 HydrophobicContact CG-CD2 3.94Å; Y770-Y777 HydrophobicContact CG-CG 4.43Å; K772-Y777 WeakPolarHBondContact O-CB 3.32Å; D773-Y777 HydrophobicContact CB-CD1 4.4Å; D773-Y777 WeakPolarHBondContact OD1-CD1 3.02Å; N774-Y777 WeakPolarHBondContact O-CB 3.44Å; N774-Y777 PolarHBondContact O-N 3.49Å; N774-Y777 VanDerWaalsContact O-N 3.15Å; N774-Y777 PolarHBondContact OD1-N 3.41Å; Y777-R779 PolarHBondContact O-N 3.01Å; Y777-A780 PolarHBondContact O-N 2.88Å; Y777-K781 HydrophobicContact CE1-CD 4.41Å; Y777-K781 WeakPolarHBondContact O-CB 3.2Å; Y777-K781 PolarHBondContact O-N 2.98Å
778	R	97.4	Very high	96.3	Very high	22 Å²	22	55.3 Å²	55.3	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-37	-178	-66.6	-164.9	-179.4	-143.9	-0.3	113.3	V739 S740 N742 V743 D773 N774 F782	V739-R778 PolarHBondContact O-NH1 2.89Å; S740-R778 WeakPolarHBondContact O-CG 3.5Å; N742-R778 WeakPolarHBondContact O-CD 3.5Å; N742-R778 PolarHBondContact O-NH1 3.39Å; V743-R778 HydrophobicContact CG1-CB 4.21Å; D773-R778 WeakPolarHBondContact OD1-CD 3.37Å; D773-R778 WeakPolarHBondContact OD1-CG 3.45Å; D773-R778 IonicContact OD1-CZ 3.23Å; D773-R778 IonicContact OD1-NE 3.17Å; D773-R778 PolarHBondContact OD1-NE 3.09Å; D773-R778 IonicContact OD1-NH2 2.7Å; D773-R778 IonicContact OD2-CZ 3.18Å; D773-R778 IonicContact OD2-NE 3.62Å; D773-R778 PolarHBondContact OD2-NE 3.45Å; D773-R778 IonicContact OD2-NH2 3.17Å; D773-R778 PolarHBondContact OD2-NH2 3.06Å; N774-R778 PolarHBondContact O-N 3.12Å; R778-F782 PolarHBondContact O-N 3.42Å
779	R	97.1	Very high	96	Very high	142 Å²	142	54.7 Å²	54.7	54%	0.536	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-44.2	171.1	-78.6	-174.3	-73.3	-95.1	3.3	112.1	V743 P775 A776 Y777 K781 F782 T783	V743-R779 HydrophobicContact CG1-CG 3.86Å; P775-R779 WeakPolarHBondContact O-CB 3.38Å; P775-R779 WeakPolarHBondContact O-CG 3.4Å; P775-R779 PolarHBondContact O-N 3.25Å; P775-R779 PolarHBondContact O-NE 2.92Å; A776-R779 PolarHBondContact O-N 3.18Å; Y777-R779 PolarHBondContact O-N 3.01Å; R779-K781 VanDerWaalsContact C-N 3.31Å; R779-K781 PolarHBondContact O-N 3.25Å; R779-F782 PolarHBondContact O-N 2.87Å; R779-T783 PolarHBondContact O-N 3.14Å; R779-T783 PolarHBondContact O-OG1 3.42Å; R779-T783 VanDerWaalsContact O-OG1 3.06Å
780	A	97.7	Very high	95.7	Very high	11 Å²	11	52.7 Å²	52.7	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.8	0	0	0	0	0	111.3	Y765 Y770 A776 Y777 T783 V784	Y765-A780 HydrophobicContact CD2-CB 3.96Å; Y765-A780 HydrophobicContact CG-CB 4.44Å; Y770-A780 HydrophobicContact CE1-CB 4.49Å; Y770-A780 HydrophobicContact CE2-CB 3.83Å; Y770-A780 WeakPolarHBondContact OH-CB 3.01Å; A776-A780 VanDerWaalsContact O-CB 3.3Å; A776-A780 WeakPolarHBondContact O-CB 3.46Å; A776-A780 PolarHBondContact O-N 3.36Å; Y777-A780 PolarHBondContact O-N 2.88Å; A780-T783 PolarHBondContact O-N 3.26Å; A780-V784 WeakPolarHBondContact O-CB 3.38Å; A780-V784 WeakPolarHBondContact O-CG2 3.42Å; A780-V784 PolarHBondContact O-N 3.38Å
781	K	97.3	Very high	95.3	Very high	33 Å²	33	57.6 Å²	57.6	14%	0.143	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-50.5	172.9	-171.5	175.2	-170.5	-176.8	0	111.4	S740 T741 Y765 Y777 R779 T783 V784 E785	S740-K781 WeakPolarHBondContact OG-CE 3.47Å; S740-K781 PolarHBondContact OG-NZ 3.15Å; T741-K781 HydrophobicContact CG2-CB 4.37Å; T741-K781 HydrophobicContact CG2-CD 4.3Å; T741-K781 HydrophobicContact CG2-CG 4.12Å; Y765-K781 HydrophobicContact CD2-CB 4.43Å; Y765-K781 HydrophobicContact CE2-CB 3.67Å; Y765-K781 HydrophobicContact CE2-CG 4.05Å; Y777-K781 HydrophobicContact CE1-CD 4.41Å; Y777-K781 WeakPolarHBondContact O-CB 3.2Å; Y777-K781 PolarHBondContact O-N 2.98Å; R779-K781 VanDerWaalsContact C-N 3.31Å; R779-K781 PolarHBondContact O-N 3.25Å; K781-T783 PolarHBondContact O-N 2.87Å; K781-V784 PolarHBondContact O-N 3.48Å; K781-E785 WeakPolarHBondContact CE-OE1 3.49Å; K781-E785 WeakPolarHBondContact CE-OE2 3.46Å; K781-E785 VanDerWaalsContact CG-CD 3.48Å; K781-E785 HydrophobicContact CG-CG 4.26Å; K781-E785 WeakPolarHBondContact CG-OE2 3.33Å; K781-E785 VanDerWaalsContact O-CB 3.25Å; K781-E785 WeakPolarHBondContact O-CB 3.45Å; K781-E785 WeakPolarHBondContact O-CG 3.02Å; K781-E785 PolarHBondContact O-N 3.04Å
782	F	96	Very high	95	Very high	74 Å²	74	55.1 Å²	55.1	33%	0.325	28%	0.281	S	S	.	.	H	α-helix	trans	-55.3	-51.4	174.9	-178.4	-90.1	0	0	0	111.2	W737 T741 R778 R779 V784 E785 A786 L790 L792	W737-F782 AromaticContact CH2-CD2 3.64Å; W737-F782 HydrophobicContact CH2-CD2 3.64Å; W737-F782 AromaticContact CH2-CE2 3.6Å; W737-F782 HydrophobicContact CH2-CE2 3.6Å; W737-F782 AromaticContact CZ2-CD2 3.8Å; W737-F782 HydrophobicContact CZ2-CD2 3.8Å; W737-F782 HydrophobicContact CZ2-CE2 4.21Å; T741-F782 HydrophobicContact CG2-CB 3.97Å; T741-F782 HydrophobicContact CG2-CD2 4.43Å; R778-F782 PolarHBondContact O-N 3.42Å; R779-F782 PolarHBondContact O-N 2.87Å; F782-V784 VanDerWaalsContact C-N 3.33Å; F782-V784 PolarHBondContact O-N 3.1Å; F782-E785 PolarHBondContact O-N 3.33Å; F782-A786 HydrophobicContact CD1-CB 4.4Å; F782-A786 HydrophobicContact CE1-CB 4.21Å; F782-A786 HydrophobicContact CE2-CB 4.4Å; F782-A786 HydrophobicContact CZ-CB 4.21Å; F782-A786 WeakPolarHBondContact O-CA 3.38Å; F782-A786 WeakPolarHBondContact O-CB 3.5Å; F782-A786 PolarHBondContact O-N 3.23Å; F782-L790 HydrophobicContact CE2-CD2 4.37Å; F782-L792 HydrophobicContact CZ-CD1 4.38Å
783	T	95.2	Very high	94.7	Very high	96 Å²	96	55.4 Å²	55.4	59%	0.589	29%	0.286	S	S	*	.	H	α-helix	trans	-60.3	-39.9	-177.9	-59.8	0	0	0	0	113	R779 A780 K781	R779-T783 PolarHBondContact O-N 3.14Å; R779-T783 PolarHBondContact O-OG1 3.42Å; R779-T783 VanDerWaalsContact O-OG1 3.06Å; A780-T783 PolarHBondContact O-N 3.26Å; K781-T783 PolarHBondContact O-N 2.87Å
784	V	95.8	Very high	94.4	Very high	54 Å²	54	55.1 Å²	55.1	33%	0.327	29%	0.286	S	S	.	.	H	α-helix	trans	-78.8	-38	-178.7	171.5	0	0	0	0	112	Y765 A780 K781 F782	Y765-V784 HydrophobicContact CD1-CB 3.99Å; Y765-V784 HydrophobicContact CD1-CG1 3.85Å; Y765-V784 HydrophobicContact CD1-CG2 3.93Å; Y765-V784 HydrophobicContact CE1-CB 4.32Å; Y765-V784 HydrophobicContact CE1-CG1 4.04Å; Y765-V784 HydrophobicContact CG-CB 4.43Å; Y765-V784 HydrophobicContact CG-CG2 4.05Å; A780-V784 WeakPolarHBondContact O-CB 3.38Å; A780-V784 WeakPolarHBondContact O-CG2 3.42Å; A780-V784 PolarHBondContact O-N 3.38Å; K781-V784 PolarHBondContact O-N 3.48Å; F782-V784 VanDerWaalsContact C-N 3.33Å; F782-V784 PolarHBondContact O-N 3.1Å
785	E	95.4	Very high	94.1	Very high	38 Å²	38	54.7 Å²	54.7	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-98.5	-21.8	-169.3	-62.9	-179.2	-174.3	0	0	114	W737 Y765 K781 F782 S787 T788 Y789	W737-E785 PolarHBondContact NE1-OE2 3.11Å; Y765-E785 PolarHBondContact OH-OE1 2.79Å; K781-E785 WeakPolarHBondContact CE-OE1 3.49Å; K781-E785 WeakPolarHBondContact CE-OE2 3.46Å; K781-E785 VanDerWaalsContact CG-CD 3.48Å; K781-E785 HydrophobicContact CG-CG 4.26Å; K781-E785 WeakPolarHBondContact CG-OE2 3.33Å; K781-E785 VanDerWaalsContact O-CB 3.25Å; K781-E785 WeakPolarHBondContact O-CB 3.45Å; K781-E785 WeakPolarHBondContact O-CG 3.02Å; K781-E785 PolarHBondContact O-N 3.04Å; F782-E785 PolarHBondContact O-N 3.33Å; E785-S787 PolarHBondContact O-N 3.41Å; E785-T788 VanDerWaalsContact O-CB 3.28Å; E785-T788 WeakPolarHBondContact O-CB 3.2Å; E785-T788 PolarHBondContact O-N 3.02Å; E785-Y789 HydrophobicContact CB-CD2 4.38Å; E785-Y789 HydrophobicContact CB-CE2 4.14Å; E785-Y789 WeakPolarHBondContact O-CD2 3.49Å
786	A	93.6	Very high	93.8	Very high	5 Å²	5	58 Å²	58	4%	0.041	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-51.6	-38.3	-170.4	0	0	0	0	0	114.3	W737 F782 T788 Y789 L790	W737-A786 HydrophobicContact CH2-CB 4.08Å; W737-A786 HydrophobicContact CZ2-CB 3.97Å; F782-A786 HydrophobicContact CD1-CB 4.4Å; F782-A786 HydrophobicContact CE1-CB 4.21Å; F782-A786 HydrophobicContact CE2-CB 4.4Å; F782-A786 HydrophobicContact CZ-CB 4.21Å; F782-A786 WeakPolarHBondContact O-CA 3.38Å; F782-A786 WeakPolarHBondContact O-CB 3.5Å; F782-A786 PolarHBondContact O-N 3.23Å; A786-T788 PolarHBondContact O-N 2.86Å; A786-T788 VanDerWaalsContact O-N 3.12Å; A786-Y789 PolarHBondContact O-N 3.32Å; A786-L790 HydrophobicContact CB-CD2 3.9Å; A786-L790 PolarHBondContact O-N 3.42Å
787	S	90.5	Very high	93.5	Very high	86 Å²	86	57.8 Å²	57.8	60%	0.601	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.8	-19.4	179.1	58.9	0	0	0	0	114.1	E785	E785-S787 PolarHBondContact O-N 3.41Å
788	T	89.7	Confident	93.2	Very high	87 Å²	87	58.4 Å²	58.4	53%	0.534	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-84.8	-18.3	176.3	-55	0	0	0	0	112.5	E785 A786	E785-T788 VanDerWaalsContact O-CB 3.28Å; E785-T788 WeakPolarHBondContact O-CB 3.2Å; E785-T788 PolarHBondContact O-N 3.02Å; A786-T788 PolarHBondContact O-N 2.86Å; A786-T788 VanDerWaalsContact O-N 3.12Å
789	Y	90.9	Very high	92.8	Very high	58 Å²	58	62.1 Å²	62.1	23%	0.227	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-27.9	-171.8	-65.5	-91.1	0	0	0	113.9	R733 W737 E785 A786	R733-Y789 HydrophobicContact CG-CD1 4.48Å; R733-Y789 HydrophobicContact CG-CE1 3.79Å; W737-Y789 HydrophobicContact CB-CD1 3.66Å; W737-Y789 HydrophobicContact CB-CD2 4.46Å; W737-Y789 HydrophobicContact CB-CE1 3.48Å; W737-Y789 VanDerWaalsContact CB-CE1 3.48Å; W737-Y789 HydrophobicContact CB-CE2 4.35Å; W737-Y789 HydrophobicContact CB-CG 4.16Å; W737-Y789 AromaticContact CD1-CD2 3.54Å; W737-Y789 AromaticContact CD1-CE2 3.3Å; W737-Y789 AromaticContact CD1-CZ 3.57Å; W737-Y789 AromaticContact CD2-CD1 3.92Å; W737-Y789 HydrophobicContact CD2-CD1 3.92Å; W737-Y789 AromaticContact CD2-CD2 3.61Å; W737-Y789 HydrophobicContact CD2-CD2 3.61Å; W737-Y789 HydrophobicContact CD2-CE1 4.41Å; W737-Y789 HydrophobicContact CD2-CE2 4.17Å; W737-Y789 AromaticContact CD2-CG 3.48Å; W737-Y789 HydrophobicContact CD2-CG 3.48Å; W737-Y789 VanDerWaalsContact CD2-CG 3.48Å; W737-Y789 AromaticContact CE2-CD2 3.6Å; W737-Y789 AromaticContact CE2-CG 3.92Å; W737-Y789 HydrophobicContact CE3-CD1 4.21Å; W737-Y789 HydrophobicContact CE3-CD2 4.33Å; W737-Y789 AromaticContact CE3-CG 3.79Å; W737-Y789 HydrophobicContact CE3-CG 3.79Å; W737-Y789 AromaticContact CG-CD1 3.65Å; W737-Y789 HydrophobicContact CG-CD1 3.65Å; W737-Y789 AromaticContact CG-CD2 3.62Å; W737-Y789 HydrophobicContact CG-CD2 3.62Å; W737-Y789 AromaticContact CG-CE1 3.68Å; W737-Y789 HydrophobicContact CG-CE1 3.68Å; W737-Y789 AromaticContact CG-CE2 3.68Å; W737-Y789 HydrophobicContact CG-CE2 3.68Å; W737-Y789 AromaticContact CG-CG 3.61Å; W737-Y789 HydrophobicContact CG-CG 3.61Å; W737-Y789 AromaticContact CG-CZ 3.7Å; W737-Y789 HydrophobicContact CZ2-CD2 4.34Å; W737-Y789 AromaticContact NE1-CD2 3.5Å; W737-Y789 AromaticContact NE1-CE2 3.59Å; E785-Y789 HydrophobicContact CB-CD2 4.38Å; E785-Y789 HydrophobicContact CB-CE2 4.14Å; E785-Y789 WeakPolarHBondContact O-CD2 3.49Å; A786-Y789 PolarHBondContact O-N 3.32Å
790	L	89.9	Confident	92.5	Very high	37 Å²	37	59.6 Å²	59.6	19%	0.194	31%	0.311	C	S	.	.			trans	-143.1	152.6	176.6	69.8	135.8	0	0	0	112.8	W737 F782 A786 L792 A795	W737-L790 HydrophobicContact CH2-CD2 3.16Å; W737-L790 HydrophobicContact CZ2-CD2 4.25Å; W737-L790 HydrophobicContact CZ3-CD2 3.41Å; W737-L790 VanDerWaalsContact CZ3-CD2 3.41Å; F782-L790 HydrophobicContact CE2-CD2 4.37Å; A786-L790 HydrophobicContact CB-CD2 3.9Å; A786-L790 PolarHBondContact O-N 3.42Å; L790-L792 HydrophobicContact CD1-CB 4.42Å; L790-L792 HydrophobicContact CD1-CD1 3.96Å; L790-L792 PolarHBondContact O-N 2.67Å; L790-A795 HydrophobicContact CD1-CB 3.69Å
791	R	90.9	Very high	92.1	Very high	140 Å²	140	60 Å²	60	53%	0.528	31%	0.311	S	S	.	.			trans	-79.3	97	163.4	-66.4	-70	-177	-131	-2.8	108.3	D793 S794 A795	R791-D793 VanDerWaalsContact C-N 3.31Å; R791-D793 PolarHBondContact O-N 3.48Å; R791-S794 PolarHBondContact O-N 2.67Å; R791-S794 VanDerWaalsContact O-N 3.11Å; R791-A795 PolarHBondContact O-N 3.37Å
792	L	90.9	Very high	91.5	Very high	74 Å²	74	58.5 Å²	58.5	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-55.8	-44.4	-173.8	-173.3	61.6	0	0	0	112.4	F782 L790 S794 A795 I796	F782-L792 HydrophobicContact CZ-CD1 4.38Å; L790-L792 HydrophobicContact CD1-CB 4.42Å; L790-L792 HydrophobicContact CD1-CD1 3.96Å; L790-L792 PolarHBondContact O-N 2.67Å; L792-S794 PolarHBondContact O-N 3.43Å; L792-A795 PolarHBondContact O-N 2.88Å; L792-I796 HydrophobicContact CD1-CD1 3.94Å; L792-I796 HydrophobicContact CD1-CG1 4.12Å; L792-I796 HydrophobicContact CD2-CD1 4.28Å; L792-I796 HydrophobicContact CG-CD1 3.69Å; L792-I796 HydrophobicContact CG-CG1 4.25Å; L792-I796 WeakPolarHBondContact O-CB 3.35Å; L792-I796 VanDerWaalsContact O-CG1 3.31Å; L792-I796 WeakPolarHBondContact O-CG1 3.43Å; L792-I796 PolarHBondContact O-N 2.72Å
793	D	92.1	Very high	90.9	Very high	69 Å²	69	59.5 Å²	59.5	37%	0.369	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-43.5	177.8	-67.4	2.1	0	0	0	112.2	N587 S589 L590 R791 A795 I796 F797	N587-D793 PolarHBondContact ND2-OD2 3Å; S589-D793 WeakPolarHBondContact OG-CB 3.33Å; S589-D793 PolarHBondContact OG-OD2 3.14Å; S589-D793 VanDerWaalsContact OG-OD2 3.14Å; L590-D793 HydrophobicContact CD2-CB 4.2Å; R791-D793 VanDerWaalsContact C-N 3.31Å; R791-D793 PolarHBondContact O-N 3.48Å; D793-A795 PolarHBondContact O-N 3.37Å; D793-I796 PolarHBondContact O-N 2.99Å; D793-F797 WeakPolarHBondContact O-CB 3.37Å; D793-F797 PolarHBondContact O-N 2.87Å
794	S	91.4	Very high	90.3	Very high	21 Å²	21	64.3 Å²	64.3	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-66	-38.3	177.7	-171.3	0	0	0	0	111.8	K609 R791 L792 Y798	K609-S794 PolarHBondContact NZ-OG 2.99Å; K609-S794 VanDerWaalsContact NZ-OG 3.14Å; R791-S794 PolarHBondContact O-N 2.67Å; R791-S794 VanDerWaalsContact O-N 3.11Å; L792-S794 PolarHBondContact O-N 3.43Å; S794-Y798 PolarHBondContact O-N 3.01Å; S794-Y798 VanDerWaalsContact O-N 3.1Å
795	A	90.3	Very high	89.3	Confident	28 Å²	28	64.8 Å²	64.8	23%	0.231	32%	0.318	C	S	.	.	H	α-helix	trans	-67.6	-49.7	176.5	0	0	0	0	0	111.1	L790 R791 L792 D793 F797 Y798 F799	L790-A795 HydrophobicContact CD1-CB 3.69Å; R791-A795 PolarHBondContact O-N 3.37Å; L792-A795 PolarHBondContact O-N 2.88Å; D793-A795 PolarHBondContact O-N 3.37Å; A795-F797 VanDerWaalsContact C-N 3.27Å; A795-F797 PolarHBondContact O-N 3.17Å; A795-Y798 PolarHBondContact O-N 3.45Å; A795-F799 VanDerWaalsContact O-CD2 3.27Å; A795-F799 WeakPolarHBondContact O-CD2 3.43Å; A795-F799 PolarHBondContact O-N 3.41Å
796	I	92	Very high	88	Confident	81 Å²	81	69.3 Å²	69.3	42%	0.415	34%	0.342	S	S	.	.	H	α-helix	trans	-58.1	-41.9	177	-71.4	175.7	0	0	0	110.7	L792 D793 F799 N800	L792-I796 HydrophobicContact CD1-CD1 3.94Å; L792-I796 HydrophobicContact CD1-CG1 4.12Å; L792-I796 HydrophobicContact CD2-CD1 4.28Å; L792-I796 HydrophobicContact CG-CD1 3.69Å; L792-I796 HydrophobicContact CG-CG1 4.25Å; L792-I796 WeakPolarHBondContact O-CB 3.35Å; L792-I796 VanDerWaalsContact O-CG1 3.31Å; L792-I796 WeakPolarHBondContact O-CG1 3.43Å; L792-I796 PolarHBondContact O-N 2.72Å; D793-I796 PolarHBondContact O-N 2.99Å; I796-F799 PolarHBondContact O-N 2.89Å; I796-N800 WeakPolarHBondContact CG2-ND2 3.47Å; I796-N800 WeakPolarHBondContact O-CB 3.38Å; I796-N800 PolarHBondContact O-N 3.09Å; I796-N800 PolarHBondContact O-ND2 2.92Å
797	F	92.4	Very high	86.8	Confident	37 Å²	37	69.2 Å²	69.2	16%	0.162	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-48.2	176.6	-176.3	-86.2	0	0	0	111.5	Y576 I579 L580 C583 L590 D793 A795 F801	Y576-F797 HydrophobicContact CD2-CD1 4.25Å; Y576-F797 AromaticContact CD2-CE1 3.71Å; Y576-F797 HydrophobicContact CD2-CE1 3.71Å; Y576-F797 AromaticContact CE2-CD1 3.52Å; Y576-F797 HydrophobicContact CE2-CD1 3.52Å; Y576-F797 AromaticContact CE2-CE1 3.41Å; Y576-F797 HydrophobicContact CE2-CE1 3.41Å; Y576-F797 VanDerWaalsContact CE2-CE1 3.41Å; I579-F797 HydrophobicContact CB-CZ 4.28Å; I579-F797 HydrophobicContact CG2-CE2 4.12Å; I579-F797 HydrophobicContact CG2-CZ 3.79Å; L580-F797 HydrophobicContact CB-CE1 3.72Å; L580-F797 HydrophobicContact CB-CZ 4Å; L580-F797 HydrophobicContact CD1-CD1 4.06Å; L580-F797 HydrophobicContact CD1-CE1 4.05Å; L580-F797 HydrophobicContact CG-CE1 4.27Å; C583-F797 HydrophobicContact CB-CE2 4.37Å; L590-F797 HydrophobicContact CD1-CD2 4.48Å; L590-F797 HydrophobicContact CD2-CB 3.97Å; L590-F797 HydrophobicContact CD2-CG 4.3Å; D793-F797 WeakPolarHBondContact O-CB 3.37Å; D793-F797 PolarHBondContact O-N 2.87Å; A795-F797 VanDerWaalsContact C-N 3.27Å; A795-F797 PolarHBondContact O-N 3.17Å; F797-F801 WeakPolarHBondContact O-CB 3.25Å; F797-F801 PolarHBondContact O-N 2.98Å
798	Y	90.2	Very high	85.9	Confident	34 Å²	34	68.6 Å²	68.6	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-48.4	177.3	170.9	-96.5	0	0	0	112.7	Y576 S794 A795 F801 C802 S810 M815	Y576-Y798 HydrophobicContact CE2-CD2 4.3Å; S794-Y798 PolarHBondContact O-N 3.01Å; S794-Y798 VanDerWaalsContact O-N 3.1Å; A795-Y798 PolarHBondContact O-N 3.45Å; Y798-F801 PolarHBondContact O-N 3.12Å; Y798-C802 WeakPolarHBondContact CE2-SG 3.28Å; Y798-C802 WeakPolarHBondContact O-CB 3.36Å; Y798-C802 PolarHBondContact O-N 2.94Å; Y798-C802 PolarHBondContact O-SG 3.44Å; Y798-C802 VanDerWaalsContact O-SG 3.33Å; Y798-S810 WeakPolarHBondContact OH-CB 3.41Å; Y798-S810 PolarHBondContact OH-O 3.15Å; Y798-S810 PolarHBondContact OH-OG 2.62Å; Y798-M815 HydrophobicContact CE1-CG 4.45Å; Y798-M815 HydrophobicContact CE1-SD 4.03Å
799	F	89.4	Confident	84.9	Confident	100 Å²	100	66.8 Å²	66.8	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-65.5	-43.7	-179.7	-83.9	-75	0	0	0	112.2	A795 I796 F801 Q803 M811 M815	A795-F799 VanDerWaalsContact O-CD2 3.27Å; A795-F799 WeakPolarHBondContact O-CD2 3.43Å; A795-F799 PolarHBondContact O-N 3.41Å; I796-F799 PolarHBondContact O-N 2.89Å; F799-F801 PolarHBondContact O-N 2.74Å; F799-Q803 WeakPolarHBondContact O-CB 3.25Å; F799-Q803 PolarHBondContact O-N 3.29Å; F799-M811 HydrophobicContact CD1-CG 4.39Å; F799-M811 HydrophobicContact CD1-SD 3.44Å; F799-M811 WeakPolarHBondContact CD1-SD 3.37Å; F799-M811 HydrophobicContact CE1-CG 4.27Å; F799-M811 HydrophobicContact CE1-SD 3.82Å; F799-M815 HydrophobicContact CZ-SD 4.26Å
800	N	90.1	Very high	84.2	Confident	88 Å²	88	65.4 Å²	65.4	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-61.3	-46.4	175.1	-80.3	-55.2	0	0	0	111.1	I796 W804	I796-N800 WeakPolarHBondContact CG2-ND2 3.47Å; I796-N800 WeakPolarHBondContact O-CB 3.38Å; I796-N800 PolarHBondContact O-N 3.09Å; I796-N800 PolarHBondContact O-ND2 2.92Å; N800-W804 PolarHBondContact O-N 3.06Å
801	F	89.2	Confident	83.5	Confident	21 Å²	21	64.8 Å²	64.8	9%	0.092	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-51.7	179.2	-175.2	-86.2	0	0	0	111.9	A572 M573 M575 Y576 I579 F797 Y798 F799 Q803 W804 I805	A572-F801 HydrophobicContact CB-CE1 4.41Å; A572-F801 WeakPolarHBondContact O-CE1 3.43Å; A572-F801 VanDerWaalsContact O-CZ 3.22Å; A572-F801 WeakPolarHBondContact O-CZ 3.19Å; M573-F801 HydrophobicContact CE-CE1 4.15Å; M575-F801 HydrophobicContact CB-CZ 4.34Å; M575-F801 HydrophobicContact CE-CE2 3.79Å; M575-F801 HydrophobicContact CE-CZ 3.6Å; M575-F801 HydrophobicContact CG-CE2 4.3Å; M575-F801 HydrophobicContact CG-CZ 4.36Å; Y576-F801 HydrophobicContact CD2-CB 4.05Å; Y576-F801 AromaticContact CD2-CD1 3.74Å; Y576-F801 HydrophobicContact CD2-CD1 3.74Å; Y576-F801 HydrophobicContact CD2-CD2 4.23Å; Y576-F801 HydrophobicContact CD2-CE1 4.27Å; Y576-F801 AromaticContact CD2-CG 3.73Å; Y576-F801 HydrophobicContact CD2-CG 3.73Å; Y576-F801 HydrophobicContact CE2-CB 4.46Å; Y576-F801 HydrophobicContact CG-CD1 4.33Å; Y576-F801 HydrophobicContact CG-CE1 4.43Å; I579-F801 HydrophobicContact CD1-CE2 4.14Å; F797-F801 WeakPolarHBondContact O-CB 3.25Å; F797-F801 PolarHBondContact O-N 2.98Å; Y798-F801 PolarHBondContact O-N 3.12Å; F799-F801 PolarHBondContact O-N 2.74Å; F801-Q803 PolarHBondContact O-N 3.47Å; F801-W804 PolarHBondContact O-N 3.3Å; F801-I805 HydrophobicContact CD2-CG1 4.4Å; F801-I805 HydrophobicContact CE1-CB 4.12Å; F801-I805 HydrophobicContact CE1-CG1 4.42Å; F801-I805 HydrophobicContact CE1-CG2 4.21Å; F801-I805 HydrophobicContact CE2-CG1 4.18Å; F801-I805 HydrophobicContact CZ-CB 4.23Å; F801-I805 HydrophobicContact CZ-CG1 4.19Å; F801-I805 HydrophobicContact CZ-CG2 4.07Å; F801-I805 WeakPolarHBondContact O-CB 3.4Å; F801-I805 WeakPolarHBondContact O-CG1 3.3Å; F801-I805 PolarHBondContact O-N 2.86Å
802	C	85.4	Confident	82.6	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-34.4	-174.4	-65.5	0	0	0	0	113	Y798 W804 G807 M811	Y798-C802 WeakPolarHBondContact CE2-SG 3.28Å; Y798-C802 WeakPolarHBondContact O-CB 3.36Å; Y798-C802 PolarHBondContact O-N 2.94Å; Y798-C802 PolarHBondContact O-SG 3.44Å; Y798-C802 VanDerWaalsContact O-SG 3.33Å; C802-W804 VanDerWaalsContact C-N 3.3Å; C802-W804 PolarHBondContact O-N 3.28Å; C802-G807 CarbonylContact O-C 3.59Å; C802-G807 WeakPolarHBondContact O-CA 3.36Å; C802-G807 PolarHBondContact O-N 3.35Å; C802-M811 HydrophobicContact CB-CG 4.13Å; C802-M811 HydrophobicContact CB-SD 4.09Å
803	Q	83.9	Confident	81.6	Confident	96 Å²	96	62.3 Å²	62.3	45%	0.449	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-38.3	176	178.2	64	43.5	0	0	112.3	F799 F801 M808 M811	F799-Q803 WeakPolarHBondContact O-CB 3.25Å; F799-Q803 PolarHBondContact O-N 3.29Å; F801-Q803 PolarHBondContact O-N 3.47Å; Q803-M808 VanDerWaalsContact OE1-CE 3.29Å; Q803-M811 HydrophobicContact CB-CE 4.25Å
804	W	81.7	Confident	80.6	Confident	197 Å²	197	61.1 Å²	61.1	75%	0.746	30%	0.3	S	S	*	.	H	α-helix	trans	-98.1	-17.6	-172.4	-64.5	115.4	0	0	0	114.3	N800 F801 C802	N800-W804 PolarHBondContact O-N 3.06Å; F801-W804 PolarHBondContact O-N 3.3Å; C802-W804 VanDerWaalsContact C-N 3.3Å; C802-W804 PolarHBondContact O-N 3.28Å
805	I	76	Confident	80.2	Confident	64 Å²	64	61.1 Å²	61.1	33%	0.328	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	31	-175.9	-50.9	-65.4	0	0	0	112	A572 M575 F801 G807	A572-I805 HydrophobicContact CB-CG2 4.09Å; M575-I805 HydrophobicContact CE-CD1 4.14Å; M575-I805 HydrophobicContact CE-CG1 4.16Å; M575-I805 HydrophobicContact CE-CG2 3.57Å; F801-I805 HydrophobicContact CD2-CG1 4.4Å; F801-I805 HydrophobicContact CE1-CB 4.12Å; F801-I805 HydrophobicContact CE1-CG1 4.42Å; F801-I805 HydrophobicContact CE1-CG2 4.21Å; F801-I805 HydrophobicContact CE2-CG1 4.18Å; F801-I805 HydrophobicContact CZ-CB 4.23Å; F801-I805 HydrophobicContact CZ-CG1 4.19Å; F801-I805 HydrophobicContact CZ-CG2 4.07Å; F801-I805 WeakPolarHBondContact O-CB 3.4Å; F801-I805 WeakPolarHBondContact O-CG1 3.3Å; F801-I805 PolarHBondContact O-N 2.86Å; I805-G807 PolarHBondContact O-N 3.4Å; I805-G807 VanDerWaalsContact O-N 3.12Å
806	I	67.7	Low	80.1	Confident	133 Å²	133	62.7 Å²	62.7	68%	0.682	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	21.8	175.8	-43.4	174.5	0	0	0	112.5	M808	I806-M808 PolarHBondContact O-N 2.87Å
807	G	68.4	Low	80.1	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	12.7	172.1	0	0	0	0	0	113.9	C802 I805 D809 S810 M811	C802-G807 CarbonylContact O-C 3.59Å; C802-G807 WeakPolarHBondContact O-CA 3.36Å; C802-G807 PolarHBondContact O-N 3.35Å; I805-G807 PolarHBondContact O-N 3.4Å; I805-G807 VanDerWaalsContact O-N 3.12Å; G807-D809 PolarHBondContact O-N 3.27Å; G807-S810 WeakPolarHBondContact O-CA 3.43Å; G807-S810 VanDerWaalsContact O-CB 3.26Å; G807-S810 WeakPolarHBondContact O-CB 3.41Å; G807-S810 PolarHBondContact O-N 3.35Å; G807-M811 PolarHBondContact O-N 2.8Å
808	M	71	Confident	80.1	Confident	73 Å²	73	61 Å²	61	36%	0.36	31%	0.308	S	S	.	.	H	α-helix	trans	-55.8	-37.8	-176.9	-170.7	71.1	58.5	0	0	112.3	Q803 I806 S810 M811 D812	Q803-M808 VanDerWaalsContact OE1-CE 3.29Å; I806-M808 PolarHBondContact O-N 2.87Å; M808-S810 PolarHBondContact O-N 2.88Å; M808-M811 HydrophobicContact CB-CE 4.42Å; M808-M811 HydrophobicContact CE-CE 3.61Å; M808-M811 HydrophobicContact CG-CE 4.4Å; M808-M811 CarbonylContact O-C 3.45Å; M808-M811 WeakPolarHBondContact O-CA 3.36Å; M808-M811 WeakPolarHBondContact O-CB 3.47Å; M808-M811 PolarHBondContact O-N 3.05Å; M808-M811 HydrophobicContact SD-CE 3.27Å; M808-M811 WeakPolarHBondContact SD-CE 3.43Å; M808-D812 PolarHBondContact O-N 3.44Å
809	D	69.9	Low	80.3	Confident	48 Å²	48	60.9 Å²	60.9	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-56.6	-35.3	175.7	-170.9	74.1	0	0	0	112	S564 G807 M811 D812 K813	S564-D809 WeakPolarHBondContact CB-OD2 3.42Å; G807-D809 PolarHBondContact O-N 3.27Å; D809-M811 VanDerWaalsContact C-N 3.27Å; D809-M811 PolarHBondContact O-N 2.82Å; D809-D812 PolarHBondContact O-N 2.94Å; D809-K813 WeakPolarHBondContact O-CG 3.4Å; D809-K813 PolarHBondContact O-N 2.78Å; D809-K813 WeakPolarHBondContact OD1-CE 3.3Å; D809-K813 IonicContact OD1-NZ 3.95Å; D809-K813 PolarHBondContact OD1-NZ 3.17Å; D809-K813 WeakPolarHBondContact OD2-CE 3.5Å; D809-K813 IonicContact OD2-NZ 3.41Å; D809-K813 PolarHBondContact OD2-NZ 2.78Å
810	S	75.3	Confident	80.3	Confident	29 Å²	29	57.6 Å²	57.6	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-70.5	-23.7	174.9	-166.7	0	0	0	0	113	N666 Y798 G807 M808 K813 M815	N666-S810 PolarHBondContact ND2-O 2.94Å; Y798-S810 WeakPolarHBondContact OH-CB 3.41Å; Y798-S810 PolarHBondContact OH-O 3.15Å; Y798-S810 PolarHBondContact OH-OG 2.62Å; G807-S810 WeakPolarHBondContact O-CA 3.43Å; G807-S810 VanDerWaalsContact O-CB 3.26Å; G807-S810 WeakPolarHBondContact O-CB 3.41Å; G807-S810 PolarHBondContact O-N 3.35Å; M808-S810 PolarHBondContact O-N 2.88Å; S810-K813 CarbonylContact C-O 3.57Å; S810-K813 WeakPolarHBondContact CA-O 3.45Å; S810-M815 WeakPolarHBondContact O-CB 3.33Å; S810-M815 PolarHBondContact O-N 3.12Å
811	M	75.5	Confident	80.1	Confident	24 Å²	24	57.4 Å²	57.4	12%	0.118	30%	0.297	C	S	.	.	H	α-helix	trans	-85.2	-23	174.9	-58.1	-167	-64.8	0	0	112.2	N666 F799 C802 Q803 G807 M808 D809	N666-M811 WeakPolarHBondContact CB-O 3.27Å; N666-M811 PolarHBondContact ND2-O 3.17Å; F799-M811 HydrophobicContact CD1-CG 4.39Å; F799-M811 HydrophobicContact CD1-SD 3.44Å; F799-M811 WeakPolarHBondContact CD1-SD 3.37Å; F799-M811 HydrophobicContact CE1-CG 4.27Å; F799-M811 HydrophobicContact CE1-SD 3.82Å; C802-M811 HydrophobicContact CB-CG 4.13Å; C802-M811 HydrophobicContact CB-SD 4.09Å; Q803-M811 HydrophobicContact CB-CE 4.25Å; G807-M811 PolarHBondContact O-N 2.8Å; M808-M811 HydrophobicContact CB-CE 4.42Å; M808-M811 HydrophobicContact CE-CE 3.61Å; M808-M811 HydrophobicContact CG-CE 4.4Å; M808-M811 CarbonylContact O-C 3.45Å; M808-M811 WeakPolarHBondContact O-CA 3.36Å; M808-M811 WeakPolarHBondContact O-CB 3.47Å; M808-M811 PolarHBondContact O-N 3.05Å; M808-M811 HydrophobicContact SD-CE 3.27Å; M808-M811 WeakPolarHBondContact SD-CE 3.43Å; D809-M811 VanDerWaalsContact C-N 3.27Å; D809-M811 PolarHBondContact O-N 2.82Å
812	D	71.2	Confident	80	Confident	83 Å²	83	57.7 Å²	57.7	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-89.1	-35.4	175.6	-70.7	-24.5	0	0	0	113.1	N666 M808 D809	N666-D812 VanDerWaalsContact CB-O 3.29Å; N666-D812 WeakPolarHBondContact CB-O 3.02Å; N666-D812 PolarHBondContact N-O 2.92Å; N666-D812 VanDerWaalsContact N-O 3.16Å; N666-D812 VanDerWaalsContact ND2-C 3.31Å; M808-D812 PolarHBondContact O-N 3.44Å; D809-D812 PolarHBondContact O-N 2.94Å
813	K	69.8	Low	79.7	Confident	79 Å²	79	63.1 Å²	63.1	34%	0.343	33%	0.333	S	S	.	.	S	Bend	trans	-147.3	169.7	175.7	61.2	177.4	-172.8	-137.8	0	111.1	N666 D809 S810 M815	N666-K813 PolarHBondContact ND2-N 3.26Å; D809-K813 WeakPolarHBondContact O-CG 3.4Å; D809-K813 PolarHBondContact O-N 2.78Å; D809-K813 WeakPolarHBondContact OD1-CE 3.3Å; D809-K813 IonicContact OD1-NZ 3.95Å; D809-K813 PolarHBondContact OD1-NZ 3.17Å; D809-K813 WeakPolarHBondContact OD2-CE 3.5Å; D809-K813 IonicContact OD2-NZ 3.41Å; D809-K813 PolarHBondContact OD2-NZ 2.78Å; S810-K813 CarbonylContact C-O 3.57Å; S810-K813 WeakPolarHBondContact CA-O 3.45Å; K813-M815 PolarHBondContact O-N 2.79Å
814	N	72.5	Confident	79.2	Confident	45 Å²	45	62.9 Å²	62.9	24%	0.241	33%	0.328	C	S	.	.			trans	63.5	3.2	173.5	-57.5	-45.7	0	0	0	116.9	S816	N814-S816 PolarHBondContact O-N 2.92Å
815	M	82.9	Confident	78.2	Confident	21 Å²	21	59 Å²	59	10%	0.103	32%	0.321	C	S	.	.			trans	-56.8	137.5	170.2	-176.5	164.6	60.5	0	0	108.8	E662 I663 N666 M669 Y798 F799 S810 K813	E662-M815 WeakPolarHBondContact CA-O 3.42Å; I663-M815 HydrophobicContact CD1-CB 4.38Å; I663-M815 HydrophobicContact CD1-CE 3.42Å; I663-M815 VanDerWaalsContact CD1-CE 3.42Å; I663-M815 HydrophobicContact CD1-CG 4.43Å; I663-M815 WeakPolarHBondContact CG1-O 3.2Å; I663-M815 PolarHBondContact N-O 2.88Å; N666-M815 WeakPolarHBondContact ND2-CB 3.48Å; M669-M815 HydrophobicContact CE-CE 3.87Å; Y798-M815 HydrophobicContact CE1-CG 4.45Å; Y798-M815 HydrophobicContact CE1-SD 4.03Å; F799-M815 HydrophobicContact CZ-SD 4.26Å; S810-M815 WeakPolarHBondContact O-CB 3.33Å; S810-M815 PolarHBondContact O-N 3.12Å; K813-M815 PolarHBondContact O-N 2.79Å
816	S	88.2	Confident	76.8	Confident	60 Å²	60	66.1 Å²	66.1	42%	0.42	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.4	177.2	-67.3	0	0	0	0	110.7	W661 N814	W661-S816 CarbonylContact O-C 3.54Å; W661-S816 WeakPolarHBondContact O-CA 3.44Å; N814-S816 PolarHBondContact O-N 2.92Å
817	L	91.3	Very high	75.3	Confident	28 Å²	28	71.3 Å²	71.3	15%	0.147	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.8	174.6	-58.2	174	0	0	0	108.3	I660 W661 I663 Y695 I731 F734 F819	I660-L817 WeakPolarHBondContact CA-O 3.33Å; W661-L817 PolarHBondContact N-O 2.78Å; W661-L817 PolarHBondContact O-N 3.09Å; I663-L817 HydrophobicContact CD1-CD1 3.94Å; I663-L817 HydrophobicContact CD1-CD2 4.46Å; I663-L817 HydrophobicContact CD1-CG 4.02Å; I663-L817 HydrophobicContact CG1-CD1 4.46Å; I663-L817 HydrophobicContact CG1-CG 4.44Å; Y695-L817 HydrophobicContact CE1-CD1 3.89Å; I731-L817 HydrophobicContact CD1-CD1 3.85Å; F734-L817 HydrophobicContact CD1-CD1 3.77Å; F734-L817 HydrophobicContact CE1-CD1 3.43Å; F734-L817 VanDerWaalsContact CE1-CD1 3.43Å; F734-L817 HydrophobicContact CE1-CD2 4.21Å; F734-L817 HydrophobicContact CE1-CG 4.44Å; F734-L817 HydrophobicContact CZ-CD1 4.33Å; F734-L817 HydrophobicContact CZ-CD2 4.34Å; L817-F819 HydrophobicContact CB-CE2 3.95Å; L817-F819 HydrophobicContact CB-CZ 4.36Å
818	A	92.8	Very high	75.7	Confident	56 Å²	56	74.7 Å²	74.7	46%	0.463	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132	176.8	0	0	0	0	0	110.5	F650 Q659 I660	F650-A818 HydrophobicContact CE2-CB 4.3Å; F650-A818 HydrophobicContact CZ-CB 4.11Å; Q659-A818 CarbonylContact O-C 3.57Å; Q659-A818 WeakPolarHBondContact O-CA 3.35Å; I660-A818 HydrophobicContact CD1-CB 4.47Å; I660-A818 HydrophobicContact CG1-CB 4.08Å
819	F	94.1	Very high	75.9	Confident	31 Å²	31	74.8 Å²	74.8	14%	0.136	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.6	173.1	-57.3	-91.4	0	0	0	107.4	A658 Q659 W661 V730 I731 F734 L817 I822	A658-F819 CarbonylContact C-O 3.53Å; A658-F819 WeakPolarHBondContact CA-O 3.34Å; A658-F819 WeakPolarHBondContact CB-O 3.27Å; Q659-F819 HydrophobicContact CB-CB 4.42Å; Q659-F819 HydrophobicContact CB-CD2 4.34Å; Q659-F819 PolarHBondContact N-O 3.12Å; Q659-F819 PolarHBondContact O-N 3.25Å; W661-F819 AromaticContact CD1-CD2 3.94Å; W661-F819 AromaticContact CD1-CE2 3.79Å; V730-F819 HydrophobicContact CG1-CB 4.15Å; V730-F819 HydrophobicContact CG1-CD1 3.43Å; V730-F819 VanDerWaalsContact CG1-CD1 3.43Å; V730-F819 HydrophobicContact CG1-CD2 4.13Å; V730-F819 HydrophobicContact CG1-CE1 3.75Å; V730-F819 HydrophobicContact CG1-CE2 4.42Å; V730-F819 HydrophobicContact CG1-CG 3.63Å; V730-F819 HydrophobicContact CG1-CZ 4.24Å; I731-F819 HydrophobicContact CD1-CE2 3.98Å; I731-F819 HydrophobicContact CD1-CZ 4.06Å; F734-F819 HydrophobicContact CB-CE1 3.99Å; F734-F819 HydrophobicContact CB-CZ 3.87Å; F734-F819 HydrophobicContact CD1-CZ 4.34Å; F734-F819 HydrophobicContact CD2-CE1 4.42Å; F734-F819 HydrophobicContact CG-CE1 4.22Å; F734-F819 AromaticContact CG-CZ 3.99Å; F734-F819 HydrophobicContact CG-CZ 3.99Å; L817-F819 HydrophobicContact CB-CE2 3.95Å; L817-F819 HydrophobicContact CB-CZ 4.36Å; F819-I822 HydrophobicContact CB-CD1 3.82Å; F819-I822 HydrophobicContact CB-CG1 3.75Å
820	D	90.3	Very high	76.3	Confident	31 Å²	31	76.3 Å²	76.3	17%	0.166	40%	0.401	C	S	.	.			trans	-136.8	-4.6	-171.8	61.4	-9.4	0	0	0	114.2	T592 A593 Y594 F650	T592-D820 VanDerWaalsContact C-OD2 3.31Å; T592-D820 WeakPolarHBondContact CA-OD2 3.46Å; T592-D820 WeakPolarHBondContact CB-OD2 3.37Å; A593-D820 HydrophobicContact CB-CB 4.28Å; A593-D820 PolarHBondContact N-OD2 2.98Å; Y594-D820 HydrophobicContact CD2-CB 4.07Å; Y594-D820 HydrophobicContact CE2-CB 3.83Å; F650-D820 HydrophobicContact CE1-CB 4.12Å; F650-D820 HydrophobicContact CZ-CB 3.83Å
821	T	85.4	Confident	76.3	Confident	83 Å²	83	79.1 Å²	79.1	51%	0.509	41%	0.413	S	S	.	.	S	Bend	trans	-122.3	48.6	170.8	62.7	0	0	0	0	110	A593 T823	A593-T821 HydrophobicContact CB-CG2 3.74Å; T821-T823 PolarHBondContact O-N 3.26Å
822	I	87.3	Confident	76.4	Confident	27 Å²	27	82.5 Å²	82.5	14%	0.138	43%	0.431	C	S	.	.			trans	-71.3	118.1	-178.8	-57.6	173.2	0	0	0	108.7	M656 Q659 V730 F819 W824	M656-I822 WeakPolarHBondContact O-CB 3.31Å; M656-I822 WeakPolarHBondContact O-CG2 3.31Å; Q659-I822 HydrophobicContact CB-CD1 4.15Å; Q659-I822 HydrophobicContact CG-CD1 3.64Å; V730-I822 HydrophobicContact CG1-CD1 4.48Å; V730-I822 HydrophobicContact CG1-CG1 4.46Å; V730-I822 HydrophobicContact CG2-CD1 4.33Å; V730-I822 HydrophobicContact CG2-CG1 4.47Å; V730-I822 HydrophobicContact CG2-CG2 3.66Å; F819-I822 HydrophobicContact CB-CD1 3.82Å; F819-I822 HydrophobicContact CB-CG1 3.75Å; I822-W824 HydrophobicContact CG2-CZ2 4.23Å; I822-W824 VanDerWaalsContact CG2-NE1 3.33Å
823	T	79.4	Confident	76.7	Confident	114 Å²	114	82.5 Å²	82.5	70%	0.699	43%	0.43	S	S	*	.			trans	-109	117.4	168.5	-48.1	0	0	0	0	108.1	T821 N825	T821-T823 PolarHBondContact O-N 3.26Å; T823-N825 PolarHBondContact O-N 3.42Å
824	W	71.8	Confident	77.2	Confident	91 Å²	91	82.7 Å²	82.7	35%	0.345	44%	0.437	S	S	.	.			trans	-82.3	109.9	170.4	-66.2	87.3	0	0	0	108.1	Y655 M656 Q726 A729 V730 I822	Y655-W824 HydrophobicContact CD2-CZ2 4.18Å; Y655-W824 HydrophobicContact CE2-CH2 4.28Å; Y655-W824 AromaticContact CE2-CZ2 3.84Å; Y655-W824 HydrophobicContact CE2-CZ2 3.84Å; M656-W824 VanDerWaalsContact CA-NE1 3.27Å; M656-W824 PolarHBondContact O-NE1 2.94Å; M656-W824 VanDerWaalsContact O-NE1 3.14Å; Q726-W824 WeakPolarHBondContact O-CH2 3.37Å; A729-W824 HydrophobicContact CB-CH2 3.84Å; A729-W824 HydrophobicContact CB-CZ3 3.62Å; V730-W824 HydrophobicContact CG2-CH2 3.87Å; V730-W824 HydrophobicContact CG2-CZ2 3.78Å; I822-W824 HydrophobicContact CG2-CZ2 4.23Å; I822-W824 VanDerWaalsContact CG2-NE1 3.33Å
825	N	62.6	Low	77.6	Confident	115 Å²	115	85.6 Å²	85.6	62%	0.615	45%	0.452	S	S	*	.			trans	-88.7	136.2	161.8	-64	-14.5	0	0	0	106.5	T823 E827	T823-N825 PolarHBondContact O-N 3.42Å; N825-E827 PolarHBondContact O-N 3.18Å
826	E	45.1	Very low	77.1	Confident	215 Å²	215	91 Å²	91	100%	1.005	48%	0.481	S	S	*	.			trans	-73.5	-0.5	176.3	-68.1	-174.7	162.2	0	0	113
827	E	37.1	Very low	76.1	Confident	241 Å²	241	93.8 Å²	93.8	100%	1.126	49%	0.486	S	S	*	.			trans	-91.2	0	172.9	-63.2	-176.7	173.1	0	0	111.3	N825	N825-E827 PolarHBondContact O-N 3.18Å

Retrieved 827 of 827 residues in 190.7 ms (Link to these results)

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