A0A5K4EZY6_SCHMA Loading...

Calpain catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 758 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	30.7	Very low	205 Å²	205	99.8 Å²	99.8	100%	1.01	51%	0.512	S	S	*	.				0	111	0	-75	172.4	178	0	0	107.4	R3 K474	M1-R3 PolarHBondContact O-N 2.99Å; M1-K474 HydrophobicContact CE-CG 4.23Å
2	G	29.4	Very low	30.7	Very low	66 Å²	66	105 Å²	105	68%	0.68	53%	0.532	S	S	*	.			trans	-64.6	130.4	172.1	0	0	0	0	0	108.5	I4	G2-I4 PolarHBondContact O-N 3.34Å
3	R	32.4	Very low	30.7	Very low	240 Å²	240	106.5 Å²	106.5	91%	0.906	54%	0.543	S	S	*	.			trans	-58.3	104.9	167	-87.7	-179.6	172.1	173.6	-3.6	105.9	M1 Q5	M1-R3 PolarHBondContact O-N 2.99Å; R3-Q5 PolarHBondContact O-N 3.44Å
4	I	35.4	Very low	30.6	Very low	28 Å²	28	105.3 Å²	105.3	14%	0.144	54%	0.543	C	S	.	.			trans	-43.7	130.6	164	-62.8	-179.4	0	0	0	105.6	G2 I6	G2-I4 PolarHBondContact O-N 3.34Å; I4-I6 HydrophobicContact CB-CG1 4.37Å; I4-I6 HydrophobicContact CG2-CG1 4.27Å; I4-I6 PolarHBondContact O-N 3.14Å
5	Q	29.7	Very low	30.6	Very low	139 Å²	139	102.3 Å²	102.3	65%	0.65	54%	0.535	S	S	*	.			trans	-61.5	82.1	166.6	-86.3	-168.7	-34.3	0	0	108.3	R3 V7 D104	R3-Q5 PolarHBondContact O-N 3.44Å; Q5-V7 PolarHBondContact O-N 3.33Å; Q5-V7 VanDerWaalsContact O-N 3.16Å; Q5-D104 PolarHBondContact N-OD2 2.77Å
6	I	32.4	Very low	30.6	Very low	82 Å²	82	98.9 Å²	98.9	42%	0.421	53%	0.532	S	S	.	.			trans	-72.6	104.5	161.4	-58.3	178.5	0	0	0	103.5	I4 Y8 V200	I4-I6 HydrophobicContact CB-CG1 4.37Å; I4-I6 HydrophobicContact CG2-CG1 4.27Å; I4-I6 PolarHBondContact O-N 3.14Å; I6-Y8 WeakPolarHBondContact CG2-O 3.25Å; I6-Y8 PolarHBondContact O-N 3.24Å; I6-V200 HydrophobicContact CG2-CG1 4.14Å
7	V	33.5	Very low	30.6	Very low	12 Å²	12	105.8 Å²	105.8	7%	0.073	55%	0.549	C	S	.	.	S	Bend	trans	-54.6	-21.3	-175.9	171.5	0	0	0	0	111.5	Q5 A82 Q85	Q5-V7 PolarHBondContact O-N 3.33Å; Q5-V7 VanDerWaalsContact O-N 3.16Å; V7-A82 HydrophobicContact CG1-CB 3.67Å; V7-Q85 VanDerWaalsContact CA-OE1 3.29Å; V7-Q85 HydrophobicContact CG1-CB 3.75Å; V7-Q85 HydrophobicContact CG1-CG 3.95Å; V7-Q85 VanDerWaalsContact O-CD 3.28Å; V7-Q85 PolarHBondContact O-NE2 3.43Å; V7-Q85 PolarHBondContact O-OE1 3.14Å
8	Y	27.2	Very low	30.7	Very low	101 Å²	101	104.2 Å²	104.2	40%	0.396	54%	0.544	S	S	.	.			trans	-160.4	120.8	163.5	177	-105.7	0	0	0	110.6	I6 P10 M78	I6-Y8 WeakPolarHBondContact CG2-O 3.25Å; I6-Y8 PolarHBondContact O-N 3.24Å; Y8-P10 HydrophobicContact CE1-CB 3.85Å; Y8-P10 HydrophobicContact CE1-CG 3.97Å; Y8-M78 HydrophobicContact CD1-CE 3.67Å; Y8-M78 HydrophobicContact CD1-CG 3.99Å; Y8-M78 HydrophobicContact CE1-CE 4.07Å; Y8-M78 HydrophobicContact CE1-CG 3.95Å; Y8-M78 HydrophobicContact CE1-SD 4.46Å
9	S	30.8	Very low	30.7	Very low	73 Å²	73	102.4 Å²	102.4	51%	0.51	54%	0.535	S	S	.	.			trans	-107.2	116.1	159.5	-172.7	0	0	0	0	106.5
10	P	30	Very low	30.7	Very low	26 Å²	26	106.3 Å²	106.3	17%	0.169	54%	0.542	C	S	.	.			trans	-58.1	142.8	163.9	22.9	-24.7	0	0	0	107.9	Y8 E12	Y8-P10 HydrophobicContact CE1-CB 3.85Å; Y8-P10 HydrophobicContact CE1-CG 3.97Å; P10-E12 PolarHBondContact O-N 2.82Å
11	D	27.6	Very low	30.7	Very low	126 Å²	126	107.8 Å²	107.8	67%	0.674	56%	0.559	S	S	*	*			trans	-44.7	129.6	-179.5	-92.7	-47.7	0	0	0	110.8	N13 V14	D11-N13 PolarHBondContact O-N 3.4Å; D11-V14 HydrophobicContact CB-CG2 4.39Å; D11-V14 PolarHBondContact O-N 3.44Å
12	E	31.1	Very low	31	Very low	162 Å²	162	101.7 Å²	101.7	76%	0.757	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-1.2	172.1	-66.9	177	163.7	0	0	112.9	P10	P10-E12 PolarHBondContact O-N 2.82Å
13	N	30.2	Very low	31.4	Very low	125 Å²	125	104.6 Å²	104.6	67%	0.668	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	16	-175.4	-70.7	-51.9	0	0	0	114.7	D11 S15	D11-N13 PolarHBondContact O-N 3.4Å; N13-S15 PolarHBondContact O-N 3.2Å
14	V	29	Very low	31.9	Very low	89 Å²	89	99.1 Å²	99.1	54%	0.539	53%	0.528	S	S	.	.			trans	-91.2	56.8	171	-163.1	0	0	0	0	109.8	D11	D11-V14 HydrophobicContact CB-CG2 4.39Å; D11-V14 PolarHBondContact O-N 3.44Å
15	S	30.2	Very low	32.4	Very low	61 Å²	61	100 Å²	100	43%	0.427	54%	0.535	S	S	.	.			trans	-64.9	134.9	157.9	58	0	0	0	0	108.4	N13 R17 E559	N13-S15 PolarHBondContact O-N 3.2Å; S15-R17 VanDerWaalsContact C-N 3.29Å; S15-R17 PolarHBondContact O-N 3.21Å; S15-E559 WeakPolarHBondContact CB-OE2 3.34Å
16	G	31.5	Very low	33.1	Very low	47 Å²	47	96.8 Å²	96.8	49%	0.485	52%	0.524	S	S	.	.			trans	-66.6	77.6	-169.7	0	0	0	0	0	113.4	T18	G16-T18 PolarHBondContact O-N 2.75Å
17	R	29.7	Very low	33.8	Very low	217 Å²	217	94.3 Å²	94.3	82%	0.819	51%	0.512	S	S	*	.			trans	-64.7	72.6	149.3	-79.7	-171.6	175.6	-175.6	-1.9	107.9	S15 N19	S15-R17 VanDerWaalsContact C-N 3.29Å; S15-R17 PolarHBondContact O-N 3.21Å; R17-N19 PolarHBondContact O-N 2.75Å
18	T	33.7	Very low	34.1	Very low	77 Å²	77	98.6 Å²	98.6	47%	0.472	54%	0.54	S	S	.	.			trans	-57.2	127.4	158.3	44.1	0	0	0	0	105.9	G16 R20	G16-T18 PolarHBondContact O-N 2.75Å; T18-R20 PolarHBondContact O-N 3.31Å
19	N	30.8	Very low	34.7	Very low	70 Å²	70	100.7 Å²	100.7	37%	0.374	55%	0.547	S	S	.	.			trans	-46.5	132.2	171.8	-84.2	-31.6	0	0	0	108.2	R17 P21 T66	R17-N19 PolarHBondContact O-N 2.75Å; N19-P21 WeakPolarHBondContact O-CD 3.41Å; N19-T66 WeakPolarHBondContact ND2-CG2 3.5Å; N19-T66 PolarHBondContact ND2-OG1 2.97Å
20	R	29.1	Very low	36.1	Very low	179 Å²	179	101 Å²	101	68%	0.675	55%	0.546	S	S	*	.			trans	-39.5	119.8	162.8	-71.6	-175.8	178.5	-173.9	-1.9	107.3	T18 G22 K23	T18-R20 PolarHBondContact O-N 3.31Å; R20-G22 PolarHBondContact O-N 3.25Å; R20-K23 PolarHBondContact O-N 2.8Å
21	P	31.1	Very low	36.8	Very low	138 Å²	138	102.5 Å²	102.5	90%	0.896	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	119	177.6	-23.3	31	0	0	0	108.1	N19	N19-P21 WeakPolarHBondContact O-CD 3.41Å
22	G	35.7	Very low	37.8	Very low	78 Å²	78	105.5 Å²	105.5	80%	0.804	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	115	-6.3	179.8	0	0	0	0	0	117.9	R20 E24	R20-G22 PolarHBondContact O-N 3.25Å; G22-E24 PolarHBondContact O-N 2.82Å
23	K	38.3	Very low	38.7	Very low	127 Å²	127	101.2 Å²	101.2	55%	0.552	55%	0.549	S	S	*	.			trans	-84.6	109.6	168.4	-86.5	-169.2	173.2	-173.3	0	111.2	R20 V25	R20-K23 PolarHBondContact O-N 2.8Å; K23-V25 PolarHBondContact O-N 2.83Å
24	E	43.7	Very low	39.5	Very low	124 Å²	124	97.8 Å²	97.8	58%	0.579	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-63.3	124.9	173.7	-67.4	-173	145.1	0	0	110.8	G22 V26 I33	G22-E24 PolarHBondContact O-N 2.82Å; E24-V26 PolarHBondContact O-N 2.91Å; E24-I33 HydrophobicContact CB-CG1 4.32Å; E24-I33 HydrophobicContact CB-CG2 3.94Å; E24-I33 HydrophobicContact CG-CG2 4.16Å; E24-I33 WeakPolarHBondContact OE2-CD1 3.29Å
25	V	45	Very low	40.2	Very low	47 Å²	47	101.9 Å²	101.9	29%	0.285	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-81.9	118.2	173.7	-175.9	0	0	0	0	108.3	K23 I33 I34 P64	K23-V25 PolarHBondContact O-N 2.83Å; V25-I33 CarbonylContact O-C 3.45Å; V25-I34 HydrophobicContact CG1-CD1 4.22Å; V25-I34 PolarHBondContact O-N 2.84Å; V25-P64 HydrophobicContact CG1-CB 4.23Å; V25-P64 HydrophobicContact CG1-CG 4.01Å
26	V	45.4	Very low	40.8	Very low	71 Å²	71	101.8 Å²	101.8	43%	0.43	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	-99.3	131.3	178.9	-175.7	0	0	0	0	109.4	E24 P28 G31 I33	E24-V26 PolarHBondContact O-N 2.91Å; V26-P28 VanDerWaalsContact O-CD 3.3Å; V26-P28 WeakPolarHBondContact O-CD 3.4Å; V26-G31 VanDerWaalsContact CG1-C 3.42Å; V26-G31 WeakPolarHBondContact CG1-O 3.47Å; V26-I33 HydrophobicContact CG2-CG1 4.29Å
27	D	46	Very low	41.2	Very low	31 Å²	31	107.5 Å²	107.5	17%	0.166	55%	0.549	C	S	.	.			trans	-67.3	115.7	170.5	171.8	-0.3	0	0	0	109.2	R29 T30 G31 R32 I34	D27-R29 PolarHBondContact O-N 3.3Å; D27-R29 WeakPolarHBondContact OD1-CB 3.13Å; D27-R29 PolarHBondContact OD1-N 3.44Å; D27-T30 VanDerWaalsContact CB-OG1 3.32Å; D27-T30 WeakPolarHBondContact CB-OG1 3.25Å; D27-T30 PolarHBondContact O-N 3.03Å; D27-T30 VanDerWaalsContact OD2-CG2 3.27Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.29Å; D27-T30 PolarHBondContact OD2-OG1 3.25Å; D27-G31 WeakPolarHBondContact O-CA 3.27Å; D27-G31 PolarHBondContact O-N 3.46Å; D27-R32 PolarHBondContact N-O 3.1Å; D27-I34 HydrophobicContact CB-CD1 4.03Å; D27-I34 HydrophobicContact CB-CG1 3.89Å
28	P	39.6	Very low	41.9	Very low	101 Å²	101	104.7 Å²	104.7	66%	0.656	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.5	-177.1	26.4	-32.9	0	0	0	113.9	V26 Y62	V26-P28 VanDerWaalsContact O-CD 3.3Å; V26-P28 WeakPolarHBondContact O-CD 3.4Å; P28-Y62 HydrophobicContact CG-CD1 3.86Å; P28-Y62 HydrophobicContact CG-CE1 3.8Å; P28-Y62 HydrophobicContact CG-CG 4.45Å
29	R	40.3	Very low	42.6	Very low	146 Å²	146	108.1 Å²	108.1	55%	0.551	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-37.9	173.2	-72.8	-170.7	-172.9	137.9	17	113	D27 Y62	D27-R29 PolarHBondContact O-N 3.3Å; D27-R29 WeakPolarHBondContact OD1-CB 3.13Å; D27-R29 PolarHBondContact OD1-N 3.44Å; R29-Y62 HydrophobicContact CB-CE2 4.37Å; R29-Y62 HydrophobicContact CG-CE2 3.41Å; R29-Y62 VanDerWaalsContact CG-CE2 3.41Å; R29-Y62 VanDerWaalsContact CG-OH 3.26Å; R29-Y62 WeakPolarHBondContact CG-OH 3.2Å; R29-Y62 VanDerWaalsContact CZ-CZ 3.44Å; R29-Y62 VanDerWaalsContact CZ-OH 3.23Å; R29-Y62 VanDerWaalsContact NE-CZ 3.27Å; R29-Y62 PolarHBondContact NE-OH 2.86Å; R29-Y62 VanDerWaalsContact NH2-CZ 3.29Å; R29-Y62 PolarHBondContact NH2-OH 3.32Å
30	T	60.8	Low	43.6	Very low	79 Å²	79	106 Å²	106	49%	0.485	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-12.4	-169.9	63.4	0	0	0	0	113	D27 R32	D27-T30 VanDerWaalsContact CB-OG1 3.32Å; D27-T30 WeakPolarHBondContact CB-OG1 3.25Å; D27-T30 PolarHBondContact O-N 3.03Å; D27-T30 VanDerWaalsContact OD2-CG2 3.27Å; D27-T30 WeakPolarHBondContact OD2-CG2 3.29Å; D27-T30 PolarHBondContact OD2-OG1 3.25Å; T30-R32 PolarHBondContact O-N 2.59Å; T30-R32 VanDerWaalsContact O-N 3.13Å; T30-R32 WeakPolarHBondContact OG1-CB 3.37Å; T30-R32 PolarHBondContact OG1-N 2.8Å
31	G	43.9	Very low	44.7	Very low	57 Å²	57	99.6 Å²	99.6	59%	0.588	52%	0.52	S	S	*	.			trans	63.4	7.7	-170.3	0	0	0	0	0	113	V26 D27	V26-G31 VanDerWaalsContact CG1-C 3.42Å; V26-G31 WeakPolarHBondContact CG1-O 3.47Å; D27-G31 WeakPolarHBondContact O-CA 3.27Å; D27-G31 PolarHBondContact O-N 3.46Å
32	R	48.8	Very low	45.8	Very low	189 Å²	189	93.8 Å²	93.8	71%	0.713	48%	0.482	S	S	*	.			trans	-87.7	135.5	-177.5	-68.2	-177.1	173.3	-177.7	-2	109.9	D27 T30 I34	D27-R32 PolarHBondContact N-O 3.1Å; T30-R32 PolarHBondContact O-N 2.59Å; T30-R32 VanDerWaalsContact O-N 3.13Å; T30-R32 WeakPolarHBondContact OG1-CB 3.37Å; T30-R32 PolarHBondContact OG1-N 2.8Å; R32-I34 PolarHBondContact O-N 2.82Å
33	I	49.7	Very low	46.7	Very low	72 Å²	72	91.8 Å²	91.8	37%	0.369	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-61.2	120.2	170.1	-61.8	153.2	0	0	0	108.2	E24 V25 V26 K35	E24-I33 HydrophobicContact CB-CG1 4.32Å; E24-I33 HydrophobicContact CB-CG2 3.94Å; E24-I33 HydrophobicContact CG-CG2 4.16Å; E24-I33 WeakPolarHBondContact OE2-CD1 3.29Å; V25-I33 CarbonylContact O-C 3.45Å; V26-I33 HydrophobicContact CG2-CG1 4.29Å; I33-K35 VanDerWaalsContact C-N 3.31Å; I33-K35 HydrophobicContact CG2-CG 4.01Å; I33-K35 PolarHBondContact O-N 3.41Å
34	I	46.7	Very low	47.4	Very low	54 Å²	54	86.5 Å²	86.5	28%	0.277	43%	0.429	S	S	.	.			trans	-74.4	88.5	172.8	-53.3	179.5	0	0	0	107.2	V25 D27 R32 V36 P64	V25-I34 HydrophobicContact CG1-CD1 4.22Å; V25-I34 PolarHBondContact O-N 2.84Å; D27-I34 HydrophobicContact CB-CD1 4.03Å; D27-I34 HydrophobicContact CB-CG1 3.89Å; R32-I34 PolarHBondContact O-N 2.82Å; I34-V36 HydrophobicContact CG2-CG2 3.71Å; I34-V36 PolarHBondContact O-N 3.32Å; I34-V36 VanDerWaalsContact O-N 3.14Å; I34-P64 HydrophobicContact CD1-CG 4.5Å
35	K	44.2	Very low	47.8	Very low	175 Å²	175	83.7 Å²	83.7	76%	0.761	42%	0.418	S	S	*	.			trans	-78.4	88	168.2	-72.1	-171	176.1	-177.5	0	109.3	I33 K37	I33-K35 VanDerWaalsContact C-N 3.31Å; I33-K35 HydrophobicContact CG2-CG 4.01Å; I33-K35 PolarHBondContact O-N 3.41Å; K35-K37 PolarHBondContact O-N 2.89Å
36	V	42	Very low	48.4	Very low	58 Å²	58	86.2 Å²	86.2	35%	0.352	43%	0.43	S	S	.	.			trans	-82.6	96.7	161.6	-170.6	0	0	0	0	107	I34 R38 L67	I34-V36 HydrophobicContact CG2-CG2 3.71Å; I34-V36 PolarHBondContact O-N 3.32Å; I34-V36 VanDerWaalsContact O-N 3.14Å; V36-R38 HydrophobicContact CG1-CG 4.45Å; V36-R38 PolarHBondContact O-N 2.9Å; V36-R38 VanDerWaalsContact O-N 3.11Å; V36-L67 HydrophobicContact CG2-CD1 3.81Å
37	K	40	Very low	48.5	Very low	167 Å²	167	85.2 Å²	85.2	73%	0.726	42%	0.424	S	S	*	.			trans	-65	108.9	158.7	-96.2	-173	168.4	-168.4	0	105.9	K35 E39	K35-K37 PolarHBondContact O-N 2.89Å; K37-E39 PolarHBondContact O-N 3.26Å
38	R	44.3	Very low	48.5	Very low	158 Å²	158	85.8 Å²	85.8	60%	0.596	43%	0.427	S	S	*	.			trans	-73.8	97.4	169.2	-69.3	179.1	175.4	176.6	-2.1	106.3	V36	V36-R38 HydrophobicContact CG1-CG 4.45Å; V36-R38 PolarHBondContact O-N 2.9Å; V36-R38 VanDerWaalsContact O-N 3.11Å
39	E	48.7	Very low	49	Very low	149 Å²	149	86.9 Å²	86.9	70%	0.696	42%	0.421	S	S	*	.	S	Bend	trans	-90.9	-31.8	168.9	-68.5	-174.8	177.7	0	0	109.9	K37 D43	K37-E39 PolarHBondContact O-N 3.26Å; E39-D43 WeakPolarHBondContact CA-OD2 3.5Å; E39-D43 PolarHBondContact N-OD2 3.25Å
40	T	52.4	Low	49	Very low	26 Å²	26	83 Å²	83	16%	0.16	42%	0.415	C	S	.	.	S	Bend	trans	-140.2	150	176.4	80.4	0	0	0	0	112.3	D42 D43 Y403	T40-D42 PolarHBondContact O-N 2.88Å; T40-D42 VanDerWaalsContact O-N 3.09Å; T40-D42 PolarHBondContact OG1-N 2.71Å; T40-D43 PolarHBondContact N-OD2 3.42Å; T40-D43 WeakPolarHBondContact O-CB 3.45Å; T40-D43 VanDerWaalsContact O-CG 3.3Å; T40-D43 PolarHBondContact O-N 3.32Å; T40-D43 VanDerWaalsContact O-N 3.13Å; T40-D43 PolarHBondContact OG1-N 3.04Å; T40-D43 PolarHBondContact OG1-OD1 2.73Å; T40-Y403 HydrophobicContact CG2-CD1 3.93Å; T40-Y403 HydrophobicContact CG2-CD2 4.34Å; T40-Y403 HydrophobicContact CG2-CE1 3.41Å; T40-Y403 VanDerWaalsContact CG2-CE1 3.41Å; T40-Y403 HydrophobicContact CG2-CE2 3.86Å; T40-Y403 HydrophobicContact CG2-CG 4.37Å
41	P	52.2	Low	48.3	Very low	44 Å²	44	85.1 Å²	85.1	29%	0.286	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.9	171	-25.3	34.3	0	0	0	113.9	Y44	P41-Y44 VanDerWaalsContact O-CD2 3.3Å; P41-Y44 WeakPolarHBondContact O-CD2 3.46Å
42	D	55	Low	48.1	Very low	16 Å²	16	91.8 Å²	91.8	9%	0.086	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.5	-178.9	-78.7	-15.7	0	0	0	113.8	T40 Y44 L45 A73 Y403	T40-D42 PolarHBondContact O-N 2.88Å; T40-D42 VanDerWaalsContact O-N 3.09Å; T40-D42 PolarHBondContact OG1-N 2.71Å; D42-Y44 PolarHBondContact O-N 3.45Å; D42-L45 HydrophobicContact CB-CD1 4.22Å; D42-L45 WeakPolarHBondContact O-CB 3.45Å; D42-L45 PolarHBondContact O-N 2.98Å; D42-A73 PolarHBondContact OD1-N 3.37Å; D42-Y403 WeakPolarHBondContact OD2-CA 3.4Å; D42-Y403 WeakPolarHBondContact OD2-CB 3.31Å; D42-Y403 PolarHBondContact OD2-N 3.24Å
43	D	53.3	Low	48.2	Very low	36 Å²	36	83.4 Å²	83.4	19%	0.193	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.4	177.3	-70.6	-17.2	0	0	0	112.4	E39 T40 L45 N46	E39-D43 WeakPolarHBondContact CA-OD2 3.5Å; E39-D43 PolarHBondContact N-OD2 3.25Å; T40-D43 PolarHBondContact N-OD2 3.42Å; T40-D43 WeakPolarHBondContact O-CB 3.45Å; T40-D43 VanDerWaalsContact O-CG 3.3Å; T40-D43 PolarHBondContact O-N 3.32Å; T40-D43 VanDerWaalsContact O-N 3.13Å; T40-D43 PolarHBondContact OG1-N 3.04Å; T40-D43 PolarHBondContact OG1-OD1 2.73Å; D43-L45 PolarHBondContact O-N 3.01Å; D43-N46 WeakPolarHBondContact O-CB 3.4Å; D43-N46 PolarHBondContact O-N 3.19Å
44	Y	53.7	Low	47.8	Very low	16 Å²	16	86.1 Å²	86.1	6%	0.063	43%	0.43	C	S	.	.	H	α-helix	trans	-54.5	-34.1	170.2	-74.5	-91.5	0	0	0	113.7	P41 D42 N46 V47 L48 L67 T68 P69	P41-Y44 VanDerWaalsContact O-CD2 3.3Å; P41-Y44 WeakPolarHBondContact O-CD2 3.46Å; D42-Y44 PolarHBondContact O-N 3.45Å; Y44-N46 PolarHBondContact O-N 3.24Å; Y44-V47 PolarHBondContact O-N 3.36Å; Y44-L48 WeakPolarHBondContact O-CG 3.24Å; Y44-L48 PolarHBondContact O-N 3.22Å; Y44-L67 HydrophobicContact CE1-CB 3.74Å; Y44-L67 HydrophobicContact CE1-CD2 4.07Å; Y44-L67 HydrophobicContact CE1-CG 4.37Å; Y44-L67 WeakPolarHBondContact CE1-O 3.44Å; Y44-L67 WeakPolarHBondContact OH-CA 3.49Å; Y44-L67 VanDerWaalsContact OH-CD2 3.25Å; Y44-L67 WeakPolarHBondContact OH-CD2 3.33Å; Y44-T68 PolarHBondContact OH-O 2.83Å; Y44-P69 HydrophobicContact CD1-CB 4.31Å; Y44-P69 HydrophobicContact CD1-CG 4.19Å; Y44-P69 HydrophobicContact CG-CB 4.4Å
45	L	52.5	Low	47.5	Very low	65 Å²	65	93.2 Å²	93.2	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-29.9	177.9	-68.1	174.5	0	0	0	111.4	D42 D43 K49 A73	D42-L45 HydrophobicContact CB-CD1 4.22Å; D42-L45 WeakPolarHBondContact O-CB 3.45Å; D42-L45 PolarHBondContact O-N 2.98Å; D43-L45 PolarHBondContact O-N 3.01Å; L45-K49 WeakPolarHBondContact O-CG 3.4Å; L45-K49 PolarHBondContact O-N 3.12Å; L45-A73 HydrophobicContact CD2-CB 4.09Å; L45-A73 HydrophobicContact CG-CB 4.03Å
46	N	57.1	Low	46.8	Very low	100 Å²	100	94.8 Å²	94.8	54%	0.535	46%	0.46	S	S	.	.	H	α-helix	trans	-76.8	-32.5	174.8	-69.6	-40.7	0	0	0	112.5	D43 Y44 K49	D43-N46 WeakPolarHBondContact O-CB 3.4Å; D43-N46 PolarHBondContact O-N 3.19Å; Y44-N46 PolarHBondContact O-N 3.24Å; N46-K49 PolarHBondContact OD1-NZ 3.01Å
47	V	48	Very low	46.2	Very low	51 Å²	51	98.4 Å²	98.4	31%	0.309	47%	0.474	S	S	.	.	H	α-helix	trans	-74.1	-31.3	176.4	-174.9	0	0	0	0	111.9	Y44	Y44-V47 PolarHBondContact O-N 3.36Å
48	L	46.1	Very low	45.9	Very low	42 Å²	42	95.3 Å²	95.3	22%	0.22	46%	0.462	C	S	.	.	S	Bend	trans	-80.9	-10.5	178.8	-68.5	173.8	0	0	0	113.9	Y44 P50 L63	Y44-L48 WeakPolarHBondContact O-CG 3.24Å; Y44-L48 PolarHBondContact O-N 3.22Å; L48-P50 WeakPolarHBondContact O-CD 3.38Å; L48-L63 HydrophobicContact CD2-CD1 3.95Å
49	K	48.7	Very low	45.7	Very low	125 Å²	125	94 Å²	94	54%	0.543	46%	0.462	S	S	.	.	S	Bend	trans	-60.8	125.4	176.6	-83.3	169.7	-173.9	168.6	0	109.5	L45 N46 I51	L45-K49 WeakPolarHBondContact O-CG 3.4Å; L45-K49 PolarHBondContact O-N 3.12Å; N46-K49 PolarHBondContact OD1-NZ 3.01Å; K49-I51 PolarHBondContact O-N 2.75Å
50	P	40.6	Very low	45.4	Very low	63 Å²	63	90.2 Å²	90.2	41%	0.409	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-56.8	128.6	175.1	-19.7	28.9	0	0	0	109.9	L48 M57 F59	L48-P50 WeakPolarHBondContact O-CD 3.38Å; P50-M57 HydrophobicContact CB-CB 4.32Å; P50-M57 HydrophobicContact CB-CG 4.37Å; P50-M57 HydrophobicContact CB-SD 3.94Å; P50-M57 HydrophobicContact CG-SD 4.39Å; P50-F59 HydrophobicContact CG-CE1 4.07Å; P50-F59 HydrophobicContact CG-CZ 4.24Å
51	I	46.4	Very low	44.7	Very low	124 Å²	124	92.9 Å²	92.9	64%	0.636	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.1	172.2	-51.8	176.8	0	0	0	107.2	K49 G53 E58	K49-I51 PolarHBondContact O-N 2.75Å; I51-G53 PolarHBondContact O-N 3.15Å; I51-E58 PolarHBondContact N-O 3.11Å; I51-E58 PolarHBondContact O-N 3.23Å
52	K	40.1	Very low	44.2	Very low	197 Å²	197	94.5 Å²	94.5	86%	0.857	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	97.6	179.8	-161.7	178.2	-174.9	-178.9	0	109.3
53	G	49.9	Very low	43.5	Very low	14 Å²	14	96.7 Å²	96.7	14%	0.144	48%	0.476	C	S	.	.			trans	-75.1	160.6	172.1	0	0	0	0	0	111.9	I51 K55 R56	I51-G53 PolarHBondContact O-N 3.15Å; G53-K55 PolarHBondContact O-N 2.78Å; G53-R56 CarbonylContact C-O 3.56Å; G53-R56 VanDerWaalsContact CA-O 3.26Å; G53-R56 WeakPolarHBondContact CA-O 3.27Å; G53-R56 PolarHBondContact N-O 3.13Å; G53-R56 VanDerWaalsContact N-O 3.15Å
54	P	42	Very low	42.4	Very low	129 Å²	129	96 Å²	96	84%	0.838	47%	0.474	S	S	*	.	S	Bend	trans	-64.4	-11.9	-172.2	22.5	-31.5	0	0	0	115
55	K	40.3	Very low	41.4	Very low	203 Å²	203	105.2 Å²	105.2	88%	0.883	51%	0.514	S	S	*	.	S	Bend	trans	-135.2	-21.9	175.8	-67.8	-173.9	179.3	178.7	0	115.4	G53	G53-K55 PolarHBondContact O-N 2.78Å
56	R	30.4	Very low	40.6	Very low	207 Å²	207	104.4 Å²	104.4	78%	0.781	51%	0.512	S	S	*	.	S	Bend	trans	-151.5	161.8	179.7	-65.1	-171.9	178.8	-172.6	-1.2	109.6	G53 E58	G53-R56 CarbonylContact C-O 3.56Å; G53-R56 VanDerWaalsContact CA-O 3.26Å; G53-R56 WeakPolarHBondContact CA-O 3.27Å; G53-R56 PolarHBondContact N-O 3.13Å; G53-R56 VanDerWaalsContact N-O 3.15Å; R56-E58 PolarHBondContact O-N 2.95Å
57	M	28.1	Very low	39.7	Very low	135 Å²	135	100.6 Å²	100.6	67%	0.665	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	124.6	164.5	-75.6	-169.5	-62.6	0	0	108.3	P50	P50-M57 HydrophobicContact CB-CB 4.32Å; P50-M57 HydrophobicContact CB-CG 4.37Å; P50-M57 HydrophobicContact CB-SD 3.94Å; P50-M57 HydrophobicContact CG-SD 4.39Å
58	E	33.9	Very low	39.9	Very low	101 Å²	101	101.6 Å²	101.6	47%	0.472	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.6	175.7	-72.6	178.7	-163.9	0	0	108	I51 R56	I51-E58 PolarHBondContact N-O 3.11Å; I51-E58 PolarHBondContact O-N 3.23Å; R56-E58 PolarHBondContact O-N 2.95Å
59	F	41.1	Very low	40.4	Very low	132 Å²	132	100.3 Å²	100.3	58%	0.579	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-83.4	141.1	163.6	-70.4	-88.3	0	0	0	107.7	P50 P61	P50-F59 HydrophobicContact CG-CE1 4.07Å; P50-F59 HydrophobicContact CG-CZ 4.24Å; F59-P61 WeakPolarHBondContact O-CD 3.12Å
60	N	40.9	Very low	41.2	Very low	69 Å²	69	97.8 Å²	97.8	37%	0.369	48%	0.481	S	S	.	.			trans	-62.6	109.2	175.2	-176.8	-1.1	0	0	0	109.3	Y62	N60-Y62 PolarHBondContact O-N 2.9Å; N60-Y62 PolarHBondContact OD1-N 3.4Å
61	P	39.2	Very low	42.6	Very low	81 Å²	81	95 Å²	95	53%	0.526	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.2	-177.1	33.8	-28.2	0	0	0	112.3	F59	F59-P61 WeakPolarHBondContact O-CD 3.12Å
62	Y	40.9	Very low	43.9	Very low	78 Å²	78	89.7 Å²	89.7	31%	0.306	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	44.3	175.2	-49	-72.7	0	0	0	111.8	P28 R29 N60 P64	P28-Y62 HydrophobicContact CG-CD1 3.86Å; P28-Y62 HydrophobicContact CG-CE1 3.8Å; P28-Y62 HydrophobicContact CG-CG 4.45Å; R29-Y62 HydrophobicContact CB-CE2 4.37Å; R29-Y62 HydrophobicContact CG-CE2 3.41Å; R29-Y62 VanDerWaalsContact CG-CE2 3.41Å; R29-Y62 VanDerWaalsContact CG-OH 3.26Å; R29-Y62 WeakPolarHBondContact CG-OH 3.2Å; R29-Y62 VanDerWaalsContact CZ-CZ 3.44Å; R29-Y62 VanDerWaalsContact CZ-OH 3.23Å; R29-Y62 VanDerWaalsContact NE-CZ 3.27Å; R29-Y62 PolarHBondContact NE-OH 2.86Å; R29-Y62 VanDerWaalsContact NH2-CZ 3.29Å; R29-Y62 PolarHBondContact NH2-OH 3.32Å; N60-Y62 PolarHBondContact O-N 2.9Å; N60-Y62 PolarHBondContact OD1-N 3.4Å; Y62-P64 WeakPolarHBondContact O-CD 3.37Å
63	L	39.3	Very low	45.5	Very low	62 Å²	62	80.3 Å²	80.3	33%	0.325	40%	0.395	S	S	.	.			trans	-54.4	113.7	153.9	-88.7	137.4	0	0	0	106.6	L48 K65	L48-L63 HydrophobicContact CD2-CD1 3.95Å; L63-K65 PolarHBondContact O-N 2.95Å
64	P	31.8	Very low	46.8	Very low	23 Å²	23	81 Å²	81	15%	0.149	39%	0.394	C	S	.	.			trans	-49.1	133.9	170	-22.2	32.6	0	0	0	107.6	V25 I34 Y62 T66 L67	V25-P64 HydrophobicContact CG1-CB 4.23Å; V25-P64 HydrophobicContact CG1-CG 4.01Å; I34-P64 HydrophobicContact CD1-CG 4.5Å; Y62-P64 WeakPolarHBondContact O-CD 3.37Å; P64-T66 WeakPolarHBondContact CB-OG1 3.5Å; P64-T66 PolarHBondContact O-N 2.72Å; P64-L67 HydrophobicContact CB-CB 4.05Å; P64-L67 HydrophobicContact CB-CD1 4.31Å; P64-L67 HydrophobicContact CB-CG 3.92Å; P64-L67 HydrophobicContact CG-CB 4.11Å; P64-L67 HydrophobicContact CG-CD1 3.52Å; P64-L67 HydrophobicContact CG-CG 3.69Å; P64-L67 WeakPolarHBondContact O-CA 3.48Å; P64-L67 WeakPolarHBondContact O-CB 3.32Å; P64-L67 PolarHBondContact O-N 2.71Å
65	K	31.4	Very low	48.6	Very low	209 Å²	209	75.1 Å²	75.1	91%	0.909	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.3	174	-68.8	-175.9	177.6	-177.5	0	112.2	L63	L63-K65 PolarHBondContact O-N 2.95Å
66	T	36.4	Very low	50.6	Low	47 Å²	47	69 Å²	69	29%	0.288	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.5	173.7	60.8	0	0	0	0	114.4	N19 P64	N19-T66 WeakPolarHBondContact ND2-CG2 3.5Å; N19-T66 PolarHBondContact ND2-OG1 2.97Å; P64-T66 WeakPolarHBondContact CB-OG1 3.5Å; P64-T66 PolarHBondContact O-N 2.72Å
67	L	39	Very low	52.9	Low	21 Å²	21	62.3 Å²	62.3	11%	0.11	31%	0.308	C	S	.	.			trans	-100.2	64.5	173.2	-78.1	-168.9	0	0	0	108.4	V36 Y44 P64 P69	V36-L67 HydrophobicContact CG2-CD1 3.81Å; Y44-L67 HydrophobicContact CE1-CB 3.74Å; Y44-L67 HydrophobicContact CE1-CD2 4.07Å; Y44-L67 HydrophobicContact CE1-CG 4.37Å; Y44-L67 WeakPolarHBondContact CE1-O 3.44Å; Y44-L67 WeakPolarHBondContact OH-CA 3.49Å; Y44-L67 VanDerWaalsContact OH-CD2 3.25Å; Y44-L67 WeakPolarHBondContact OH-CD2 3.33Å; P64-L67 HydrophobicContact CB-CB 4.05Å; P64-L67 HydrophobicContact CB-CD1 4.31Å; P64-L67 HydrophobicContact CB-CG 3.92Å; P64-L67 HydrophobicContact CG-CB 4.11Å; P64-L67 HydrophobicContact CG-CD1 3.52Å; P64-L67 HydrophobicContact CG-CG 3.69Å; P64-L67 WeakPolarHBondContact O-CA 3.48Å; P64-L67 WeakPolarHBondContact O-CB 3.32Å; P64-L67 PolarHBondContact O-N 2.71Å; L67-P69 WeakPolarHBondContact O-CD 3.35Å
68	T	51.8	Low	55.3	Low	71 Å²	71	56.3 Å²	56.3	44%	0.436	28%	0.278	S	S	.	.			trans	-72.9	122	166.3	-37.7	0	0	0	0	107.5	Y44 K70	Y44-T68 PolarHBondContact OH-O 2.83Å; T68-K70 PolarHBondContact O-N 3Å
69	P	56.1	Low	57.8	Low	16 Å²	16	51.8 Å²	51.8	10%	0.104	26%	0.257	C	S	.	.			trans	-51.5	134.7	173.3	-24.7	33.6	0	0	0	109.6	Y44 L67 A73 K74 L77	Y44-P69 HydrophobicContact CD1-CB 4.31Å; Y44-P69 HydrophobicContact CD1-CG 4.19Å; Y44-P69 HydrophobicContact CG-CB 4.4Å; L67-P69 WeakPolarHBondContact O-CD 3.35Å; P69-A73 HydrophobicContact CB-CB 4.39Å; P69-K74 HydrophobicContact CB-CB 4.01Å; P69-K74 WeakPolarHBondContact O-CB 3.3Å; P69-K74 WeakPolarHBondContact O-CD 3.35Å; P69-L77 HydrophobicContact CG-CD2 4.02Å
70	K	65	Low	59.8	Low	71 Å²	71	50.1 Å²	50.1	31%	0.309	26%	0.255	S	S	.	.			trans	-105.4	162.4	171.1	-72.9	-166.9	173.7	-168.1	0	109.4	T68 E557	T68-K70 PolarHBondContact O-N 3Å; K70-E557 IonicContact NZ-OE1 2.83Å; K70-E557 PolarHBondContact NZ-OE1 3.47Å; K70-E557 IonicContact NZ-OE2 2.85Å
71	G	70.6	Confident	61.6	Low	5 Å²	5	49.3 Å²	49.3	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	56.2	-146.2	171.5	0	0	0	0	0	114.1	A73 K74 F75	G71-A73 VanDerWaalsContact C-N 3.25Å; G71-A73 PolarHBondContact O-N 3.33Å; G71-A73 VanDerWaalsContact O-N 3.16Å; G71-K74 VanDerWaalsContact O-CB 3.23Å; G71-K74 WeakPolarHBondContact O-CB 3.42Å; G71-K74 PolarHBondContact O-N 3.5Å; G71-F75 PolarHBondContact O-N 3.3Å
72	Y	73.8	Confident	63.8	Low	13 Å²	13	45.6 Å²	45.6	5%	0.051	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-31.2	-172.8	-165.3	-95.9	0	0	0	114.7	K74 F75 K76 L398 E399 L401 E402	Y72-K74 VanDerWaalsContact C-N 3.31Å; Y72-K74 PolarHBondContact O-N 3.36Å; Y72-F75 AromaticContact CD2-CD1 3.96Å; Y72-F75 HydrophobicContact CD2-CD1 3.96Å; Y72-F75 AromaticContact CE2-CD1 3.66Å; Y72-F75 HydrophobicContact CE2-CD1 3.66Å; Y72-F75 AromaticContact CE2-CE1 3.9Å; Y72-F75 HydrophobicContact CE2-CE1 3.9Å; Y72-F75 AromaticContact CZ-CD1 3.99Å; Y72-F75 WeakPolarHBondContact O-CB 3.28Å; Y72-F75 PolarHBondContact O-N 2.64Å; Y72-K76 HydrophobicContact CD1-CG 3.94Å; Y72-K76 HydrophobicContact CE1-CD 3.98Å; Y72-K76 HydrophobicContact CE1-CG 3.59Å; Y72-K76 PolarHBondContact O-N 3.04Å; Y72-K76 WeakPolarHBondContact OH-CE 3.48Å; Y72-K76 PolarHBondContact OH-NZ 3.11Å; Y72-L398 PolarHBondContact N-O 2.98Å; Y72-E399 WeakPolarHBondContact CD2-O 3.37Å; Y72-L401 VanDerWaalsContact CB-O 3.3Å; Y72-L401 WeakPolarHBondContact CB-O 3.42Å; Y72-L401 VanDerWaalsContact CD2-C 3.45Å; Y72-L401 WeakPolarHBondContact CD2-O 3.37Å; Y72-E402 HydrophobicContact CD1-CB 4.21Å; Y72-E402 HydrophobicContact CD1-CG 3.32Å; Y72-E402 HydrophobicContact CD2-CG 4.35Å; Y72-E402 HydrophobicContact CE1-CB 4.22Å; Y72-E402 HydrophobicContact CE1-CG 2.95Å; Y72-E402 VanDerWaalsContact CE1-OE1 3.28Å; Y72-E402 WeakPolarHBondContact CE1-OE1 3.39Å; Y72-E402 HydrophobicContact CE2-CG 4.09Å; Y72-E402 HydrophobicContact CG-CG 4Å; Y72-E402 PolarHBondContact OH-OE1 2.65Å
73	A	72.7	Confident	65.9	Low	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.4	-39	173.1	0	0	0	0	0	112.9	D42 L45 P69 G71 K76 L77	D42-A73 PolarHBondContact OD1-N 3.37Å; L45-A73 HydrophobicContact CD2-CB 4.09Å; L45-A73 HydrophobicContact CG-CB 4.03Å; P69-A73 HydrophobicContact CB-CB 4.39Å; G71-A73 VanDerWaalsContact C-N 3.25Å; G71-A73 PolarHBondContact O-N 3.33Å; G71-A73 VanDerWaalsContact O-N 3.16Å; A73-K76 PolarHBondContact O-N 3.2Å; A73-L77 PolarHBondContact O-N 3.38Å; A73-L77 VanDerWaalsContact O-N 3.08Å
74	K	78.2	Confident	68.1	Low	29 Å²	29	46.4 Å²	46.4	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-48.1	174.4	-174.3	177.5	147.4	-140.4	0	111.2	P69 G71 Y72 K76 L77 M78 G197 H198 E399	P69-K74 HydrophobicContact CB-CB 4.01Å; P69-K74 WeakPolarHBondContact O-CB 3.3Å; P69-K74 WeakPolarHBondContact O-CD 3.35Å; G71-K74 VanDerWaalsContact O-CB 3.23Å; G71-K74 WeakPolarHBondContact O-CB 3.42Å; G71-K74 PolarHBondContact O-N 3.5Å; Y72-K74 VanDerWaalsContact C-N 3.31Å; Y72-K74 PolarHBondContact O-N 3.36Å; K74-K76 PolarHBondContact O-N 3.47Å; K74-L77 PolarHBondContact O-N 3.27Å; K74-M78 HydrophobicContact CG-SD 4.18Å; K74-M78 WeakPolarHBondContact O-CG 3.24Å; K74-M78 PolarHBondContact O-N 3.35Å; K74-G197 PolarHBondContact NZ-O 3.32Å; K74-H198 WeakPolarHBondContact CE-ND1 3.33Å; K74-H198 PolarHBondContact NZ-ND1 2.98Å; K74-E399 WeakPolarHBondContact CD-OE1 3.34Å; K74-E399 WeakPolarHBondContact CE-OE1 3.4Å; K74-E399 IonicContact NZ-OE1 3.58Å; K74-E399 PolarHBondContact NZ-OE1 3.04Å
75	F	80.3	Confident	70.7	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.022	25%	0.246	C	C	.	.	H	α-helix	trans	-52.5	-53.6	174	164.7	-108.6	0	0	0	111.3	G71 Y72 L77 M78 M79 Q172 W199	G71-F75 PolarHBondContact O-N 3.3Å; Y72-F75 AromaticContact CD2-CD1 3.96Å; Y72-F75 HydrophobicContact CD2-CD1 3.96Å; Y72-F75 AromaticContact CE2-CD1 3.66Å; Y72-F75 HydrophobicContact CE2-CD1 3.66Å; Y72-F75 AromaticContact CE2-CE1 3.9Å; Y72-F75 HydrophobicContact CE2-CE1 3.9Å; Y72-F75 AromaticContact CZ-CD1 3.99Å; Y72-F75 WeakPolarHBondContact O-CB 3.28Å; Y72-F75 PolarHBondContact O-N 2.64Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.12Å; F75-M78 PolarHBondContact O-N 3.45Å; F75-M79 HydrophobicContact CD2-CE 4.47Å; F75-M79 HydrophobicContact CD2-CG 3.59Å; F75-M79 HydrophobicContact CD2-SD 4.28Å; F75-M79 HydrophobicContact CE1-CG 4.27Å; F75-M79 HydrophobicContact CE2-CE 4.47Å; F75-M79 HydrophobicContact CE2-CG 3.26Å; F75-M79 HydrophobicContact CE2-SD 3.76Å; F75-M79 HydrophobicContact CG-CG 4.26Å; F75-M79 HydrophobicContact CZ-CG 3.64Å; F75-M79 HydrophobicContact CZ-SD 4.47Å; F75-M79 VanDerWaalsContact O-CG 3.29Å; F75-M79 WeakPolarHBondContact O-CG 3.44Å; F75-M79 PolarHBondContact O-N 3.09Å; F75-Q172 HydrophobicContact CE1-CG 4.34Å; F75-Q172 HydrophobicContact CZ-CB 4.19Å; F75-Q172 HydrophobicContact CZ-CG 4.1Å; F75-W199 HydrophobicContact CD2-CB 3.66Å; F75-W199 AromaticContact CD2-CD1 3.48Å; F75-W199 VanDerWaalsContact CD2-CD1 3.48Å; F75-W199 AromaticContact CD2-CD2 3.88Å; F75-W199 HydrophobicContact CD2-CD2 3.88Å; F75-W199 AromaticContact CD2-CG 3.38Å; F75-W199 HydrophobicContact CD2-CG 3.38Å; F75-W199 AromaticContact CD2-NE1 3.96Å; F75-W199 HydrophobicContact CE2-CB 4.16Å; F75-W199 AromaticContact CE2-CD2 3.92Å; F75-W199 HydrophobicContact CE2-CD2 3.92Å; F75-W199 HydrophobicContact CE2-CE3 4.3Å; F75-W199 AromaticContact CE2-CG 3.87Å; F75-W199 HydrophobicContact CE2-CG 3.87Å; F75-W199 HydrophobicContact CG-CG 4.42Å
76	K	81.6	Confident	73.5	Confident	73 Å²	73	41.3 Å²	41.3	32%	0.317	21%	0.209	S	C	.	.	H	α-helix	trans	-58.1	-42.7	179.6	-75.6	-71.6	-175.4	-175.8	0	112.8	Y72 A73 K74 M79 N80 E402	Y72-K76 HydrophobicContact CD1-CG 3.94Å; Y72-K76 HydrophobicContact CE1-CD 3.98Å; Y72-K76 HydrophobicContact CE1-CG 3.59Å; Y72-K76 PolarHBondContact O-N 3.04Å; Y72-K76 WeakPolarHBondContact OH-CE 3.48Å; Y72-K76 PolarHBondContact OH-NZ 3.11Å; A73-K76 PolarHBondContact O-N 3.2Å; K74-K76 PolarHBondContact O-N 3.47Å; K76-M79 PolarHBondContact O-N 2.89Å; K76-N80 WeakPolarHBondContact O-CB 3.15Å; K76-N80 PolarHBondContact O-N 3.42Å; K76-N80 PolarHBondContact O-ND2 2.85Å; K76-N80 VanDerWaalsContact O-ND2 3.15Å; K76-E402 IonicContact NZ-OE1 3.7Å
77	L	78.3	Confident	76.1	Confident	68 Å²	68	44.7 Å²	44.7	36%	0.356	22%	0.222	S	C	.	.	H	α-helix	trans	-61.6	-48	177.8	-179.7	65.2	0	0	0	111.2	P69 A73 K74 F75 N80 V81	P69-L77 HydrophobicContact CG-CD2 4.02Å; A73-L77 PolarHBondContact O-N 3.38Å; A73-L77 VanDerWaalsContact O-N 3.08Å; K74-L77 PolarHBondContact O-N 3.27Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.12Å; L77-N80 PolarHBondContact O-N 2.77Å; L77-V81 PolarHBondContact O-N 3.08Å; L77-V81 VanDerWaalsContact O-N 3.17Å
78	M	79.3	Confident	78.6	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-45.5	178.5	-69.6	-178.5	72	0	0	111.7	Y8 K74 F75 N80 V81 A82 H198 W199	Y8-M78 HydrophobicContact CD1-CE 3.67Å; Y8-M78 HydrophobicContact CD1-CG 3.99Å; Y8-M78 HydrophobicContact CE1-CE 4.07Å; Y8-M78 HydrophobicContact CE1-CG 3.95Å; Y8-M78 HydrophobicContact CE1-SD 4.46Å; K74-M78 HydrophobicContact CG-SD 4.18Å; K74-M78 WeakPolarHBondContact O-CG 3.24Å; K74-M78 PolarHBondContact O-N 3.35Å; F75-M78 PolarHBondContact O-N 3.45Å; M78-N80 VanDerWaalsContact C-N 3.3Å; M78-N80 PolarHBondContact O-N 3.04Å; M78-V81 PolarHBondContact O-N 2.87Å; M78-A82 PolarHBondContact O-N 3.36Å; M78-H198 HydrophobicContact CE-CB 3.79Å; M78-H198 HydrophobicContact SD-CB 4.3Å; M78-W199 WeakPolarHBondContact CE-O 3.38Å
79	M	86.2	Confident	80.5	Confident	6 Å²	6	46 Å²	46	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-30.9	179.1	-65	-53	96.8	0	0	112.9	F75 K76 A82 S83 R192 W199	F75-M79 HydrophobicContact CD2-CE 4.47Å; F75-M79 HydrophobicContact CD2-CG 3.59Å; F75-M79 HydrophobicContact CD2-SD 4.28Å; F75-M79 HydrophobicContact CE1-CG 4.27Å; F75-M79 HydrophobicContact CE2-CE 4.47Å; F75-M79 HydrophobicContact CE2-CG 3.26Å; F75-M79 HydrophobicContact CE2-SD 3.76Å; F75-M79 HydrophobicContact CG-CG 4.26Å; F75-M79 HydrophobicContact CZ-CG 3.64Å; F75-M79 HydrophobicContact CZ-SD 4.47Å; F75-M79 VanDerWaalsContact O-CG 3.29Å; F75-M79 WeakPolarHBondContact O-CG 3.44Å; F75-M79 PolarHBondContact O-N 3.09Å; K76-M79 PolarHBondContact O-N 2.89Å; M79-A82 PolarHBondContact O-N 3.28Å; M79-S83 WeakPolarHBondContact O-CB 3.24Å; M79-S83 PolarHBondContact O-N 3.47Å; M79-S83 PolarHBondContact O-OG 2.94Å; M79-R192 HydrophobicContact SD-CB 4.41Å; M79-R192 WeakPolarHBondContact SD-CD 3.16Å; M79-R192 HydrophobicContact SD-CG 3.65Å; M79-R192 PolarHBondContact SD-NE 3.33Å; M79-W199 HydrophobicContact CE-CB 3.73Å; M79-W199 VanDerWaalsContact CE-O 3.31Å; M79-W199 WeakPolarHBondContact CE-O 3.14Å
80	N	83.5	Confident	82.2	Confident	98 Å²	98	45.8 Å²	45.8	52%	0.524	23%	0.228	S	C	.	.	H	α-helix	trans	-68.2	-40	173.5	-76.5	-27.5	0	0	0	112.3	K76 L77 M78 A82 K84	K76-N80 WeakPolarHBondContact O-CB 3.15Å; K76-N80 PolarHBondContact O-N 3.42Å; K76-N80 PolarHBondContact O-ND2 2.85Å; K76-N80 VanDerWaalsContact O-ND2 3.15Å; L77-N80 PolarHBondContact O-N 2.77Å; M78-N80 VanDerWaalsContact C-N 3.3Å; M78-N80 PolarHBondContact O-N 3.04Å; N80-A82 VanDerWaalsContact C-N 3.33Å; N80-K84 WeakPolarHBondContact O-CG 3.44Å; N80-K84 PolarHBondContact O-N 3.47Å
81	V	79.3	Confident	83.6	Confident	52 Å²	52	49.7 Å²	49.7	32%	0.315	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-44.1	173.8	174.8	0	0	0	0	109.8	L77 M78 K84 Q85	L77-V81 PolarHBondContact O-N 3.08Å; L77-V81 VanDerWaalsContact O-N 3.17Å; M78-V81 PolarHBondContact O-N 2.87Å; V81-K84 PolarHBondContact O-N 2.88Å; V81-Q85 PolarHBondContact O-N 3.27Å
82	A	83.7	Confident	84.7	Confident	3 Å²	3	55.7 Å²	55.7	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-46.2	-179.5	0	0	0	0	0	113.5	V7 M78 M79 N80 K84 Q85 Y86 E201	V7-A82 HydrophobicContact CG1-CB 3.67Å; M78-A82 PolarHBondContact O-N 3.36Å; M79-A82 PolarHBondContact O-N 3.28Å; N80-A82 VanDerWaalsContact C-N 3.33Å; A82-K84 VanDerWaalsContact C-N 3.26Å; A82-K84 PolarHBondContact O-N 3.42Å; A82-Q85 PolarHBondContact O-N 3.21Å; A82-Y86 PolarHBondContact O-N 2.97Å; A82-E201 HydrophobicContact CB-CB 3.66Å; A82-E201 HydrophobicContact CB-CG 4.36Å
83	S	85.3	Confident	85.7	Confident	21 Å²	21	55.4 Å²	55.4	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-38.4	178.4	-61.5	0	0	0	0	112.3	M79 Q85 Y86 E87	M79-S83 WeakPolarHBondContact O-CB 3.24Å; M79-S83 PolarHBondContact O-N 3.47Å; M79-S83 PolarHBondContact O-OG 2.94Å; S83-Q85 PolarHBondContact O-N 3.28Å; S83-Y86 PolarHBondContact O-N 3.18Å; S83-E87 WeakPolarHBondContact O-CB 3.38Å; S83-E87 VanDerWaalsContact O-CG 3.27Å; S83-E87 WeakPolarHBondContact O-CG 3.47Å; S83-E87 PolarHBondContact O-N 3.31Å
84	K	86.4	Confident	86.7	Confident	135 Å²	135	58.9 Å²	58.9	59%	0.587	28%	0.281	S	S	*	.	H	α-helix	trans	-65.1	-36.9	176.8	-73.4	178.4	-179.8	178.2	0	113.4	N80 V81 A82 T88	N80-K84 WeakPolarHBondContact O-CG 3.44Å; N80-K84 PolarHBondContact O-N 3.47Å; V81-K84 PolarHBondContact O-N 2.88Å; A82-K84 VanDerWaalsContact C-N 3.26Å; A82-K84 PolarHBondContact O-N 3.42Å; K84-T88 WeakPolarHBondContact O-CB 3.24Å; K84-T88 PolarHBondContact O-N 3.43Å; K84-T88 PolarHBondContact O-OG1 2.89Å
85	Q	85.7	Confident	87.5	Confident	89 Å²	89	62.8 Å²	62.8	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-71.7	-41.8	177.8	-66.6	-171.4	15.9	0	0	110.9	V7 V81 A82 S83 T88 L89	V7-Q85 VanDerWaalsContact CA-OE1 3.29Å; V7-Q85 HydrophobicContact CG1-CB 3.75Å; V7-Q85 HydrophobicContact CG1-CG 3.95Å; V7-Q85 VanDerWaalsContact O-CD 3.28Å; V7-Q85 PolarHBondContact O-NE2 3.43Å; V7-Q85 PolarHBondContact O-OE1 3.14Å; V81-Q85 PolarHBondContact O-N 3.27Å; A82-Q85 PolarHBondContact O-N 3.21Å; S83-Q85 PolarHBondContact O-N 3.28Å; Q85-T88 WeakPolarHBondContact O-CB 3.22Å; Q85-T88 PolarHBondContact O-N 2.93Å; Q85-L89 PolarHBondContact O-N 3.39Å
86	Y	89.8	Confident	88.1	Confident	37 Å²	37	67.8 Å²	67.8	15%	0.145	33%	0.331	C	S	.	.	H	α-helix	trans	-55.7	-50.8	170.9	170.3	-100.7	0	0	0	111.4	A82 S83 T88 L89 V90 V188 L203	A82-Y86 PolarHBondContact O-N 2.97Å; S83-Y86 PolarHBondContact O-N 3.18Å; Y86-T88 VanDerWaalsContact C-N 3.28Å; Y86-T88 PolarHBondContact O-N 3.49Å; Y86-L89 PolarHBondContact O-N 3.21Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; Y86-V90 HydrophobicContact CD1-CG2 4.31Å; Y86-V90 HydrophobicContact CD2-CG2 4.03Å; Y86-V90 HydrophobicContact CE1-CG2 3.9Å; Y86-V90 HydrophobicContact CE2-CG2 3.6Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CG2 3.31Å; Y86-V90 PolarHBondContact O-N 2.86Å; Y86-V188 HydrophobicContact CD2-CG1 4.12Å; Y86-V188 HydrophobicContact CE2-CB 4.31Å; Y86-V188 HydrophobicContact CE2-CG1 3.8Å; Y86-L203 HydrophobicContact CD2-CD2 3.8Å
87	E	90.8	Very high	88.6	Confident	117 Å²	117	75.3 Å²	75.3	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-57.4	-40.6	176.8	-74.7	168.7	-164.6	0	0	112.5	S83 K91	S83-E87 WeakPolarHBondContact O-CB 3.38Å; S83-E87 VanDerWaalsContact O-CG 3.27Å; S83-E87 WeakPolarHBondContact O-CG 3.47Å; S83-E87 PolarHBondContact O-N 3.31Å; E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.3Å; E87-K91 PolarHBondContact O-N 3.28Å
88	T	92.3	Very high	89.4	Confident	99 Å²	99	75 Å²	75	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-64.2	-44.9	177.5	-59.5	0	0	0	0	111.4	K84 Q85 Y86 R92	K84-T88 WeakPolarHBondContact O-CB 3.24Å; K84-T88 PolarHBondContact O-N 3.43Å; K84-T88 PolarHBondContact O-OG1 2.89Å; Q85-T88 WeakPolarHBondContact O-CB 3.22Å; Q85-T88 PolarHBondContact O-N 2.93Å; Y86-T88 VanDerWaalsContact C-N 3.28Å; Y86-T88 PolarHBondContact O-N 3.49Å; T88-R92 PolarHBondContact O-N 2.96Å; T88-R92 VanDerWaalsContact O-N 3.11Å
89	L	91.9	Very high	90.2	Very high	20 Å²	20	78 Å²	78	11%	0.105	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-50.7	176.2	174.4	62.5	0	0	0	111.2	Q85 Y86 K91 R92 L93 W100 V188 L203	Q85-L89 PolarHBondContact O-N 3.39Å; Y86-L89 PolarHBondContact O-N 3.21Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.06Å; L89-R92 WeakPolarHBondContact O-CB 3.34Å; L89-R92 PolarHBondContact O-N 2.91Å; L89-R92 VanDerWaalsContact O-N 3.16Å; L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 3.83Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.18Å; L89-W100 HydrophobicContact CD2-CD2 4.36Å; L89-W100 HydrophobicContact CD2-CZ2 4.41Å; L89-V188 HydrophobicContact CD2-CG1 4.27Å; L89-V188 HydrophobicContact CD2-CG2 4.22Å; L89-L203 HydrophobicContact CD2-CD1 3.8Å
90	V	92.3	Very high	90.7	Very high	12 Å²	12	78.6 Å²	78.6	7%	0.073	38%	0.376	C	S	.	.	H	α-helix	trans	-58.9	-43.6	179.8	170.5	0	0	0	0	110.9	Y86 R92 L93 K94 V186	Y86-V90 HydrophobicContact CD1-CG2 4.31Å; Y86-V90 HydrophobicContact CD2-CG2 4.03Å; Y86-V90 HydrophobicContact CE1-CG2 3.9Å; Y86-V90 HydrophobicContact CE2-CG2 3.6Å; Y86-V90 HydrophobicContact CG-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CG2 3.31Å; Y86-V90 PolarHBondContact O-N 2.86Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 3.44Å; V90-L93 PolarHBondContact O-N 3.09Å; V90-K94 HydrophobicContact CG1-CD 3.97Å; V90-K94 VanDerWaalsContact CG1-CE 3.47Å; V90-K94 HydrophobicContact CG1-CG 4.41Å; V90-K94 WeakPolarHBondContact O-CB 3.4Å; V90-K94 WeakPolarHBondContact O-CG 3.36Å; V90-K94 PolarHBondContact O-N 3.1Å; V90-V186 HydrophobicContact CB-CG2 4.36Å; V90-V186 HydrophobicContact CG1-CG2 4.07Å; V90-V186 HydrophobicContact CG2-CG2 4.01Å
91	K	93	Very high	91.3	Very high	154 Å²	154	79.7 Å²	79.7	67%	0.67	38%	0.378	S	S	*	.	H	α-helix	trans	-61.2	-41.6	177.2	-175.4	179.3	179.8	-179.1	0	112.4	E87 L89 T95	E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.3Å; E87-K91 PolarHBondContact O-N 3.28Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.06Å; K91-T95 PolarHBondContact O-N 3.33Å; K91-T95 VanDerWaalsContact O-N 3.14Å; K91-T95 PolarHBondContact O-OG1 3.22Å
92	R	94.5	Very high	92.1	Very high	131 Å²	131	77.4 Å²	77.4	49%	0.494	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-51.9	175.7	-176.8	-176.5	69.1	-167	1.1	110.8	T88 L89 V90 K94 T95 E96	T88-R92 PolarHBondContact O-N 2.96Å; T88-R92 VanDerWaalsContact O-N 3.11Å; L89-R92 WeakPolarHBondContact O-CB 3.34Å; L89-R92 PolarHBondContact O-N 2.91Å; L89-R92 VanDerWaalsContact O-N 3.16Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 3.44Å; R92-K94 VanDerWaalsContact C-N 3.34Å; R92-K94 PolarHBondContact O-N 2.94Å; R92-T95 WeakPolarHBondContact O-CA 3.43Å; R92-T95 WeakPolarHBondContact O-CB 3.42Å; R92-T95 PolarHBondContact O-N 2.71Å; R92-E96 WeakPolarHBondContact CG-OE1 3.44Å; R92-E96 PolarHBondContact O-N 2.85Å
93	L	95.4	Very high	92.7	Very high	6 Å²	6	81.5 Å²	81.5	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-39.9	-178.7	-67.7	165.5	0	0	0	112.7	L89 V90 T95 E96 R97 T98 W100 V186 V188	L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 3.83Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.18Å; V90-L93 PolarHBondContact O-N 3.09Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 3.36Å; L93-E96 CarbonylContact O-C 3.54Å; L93-E96 PolarHBondContact O-N 2.82Å; L93-R97 WeakPolarHBondContact O-CA 3.28Å; L93-R97 PolarHBondContact O-N 3.17Å; L93-T98 PolarHBondContact O-N 3.07Å; L93-W100 HydrophobicContact CD1-CB 3.66Å; L93-W100 HydrophobicContact CD1-CG 4.01Å; L93-W100 HydrophobicContact CD2-CB 4.27Å; L93-V186 HydrophobicContact CB-CB 3.93Å; L93-V186 HydrophobicContact CB-CG1 3.92Å; L93-V186 HydrophobicContact CB-CG2 4.44Å; L93-V186 HydrophobicContact CD1-CB 4.15Å; L93-V186 HydrophobicContact CD1-CG2 4.09Å; L93-V188 HydrophobicContact CD1-CG2 3.51Å
94	K	93	Very high	93	Very high	73 Å²	73	82.8 Å²	82.8	32%	0.317	40%	0.396	S	S	.	.	H	α-helix	trans	-61.1	-40	173	-74.8	177.9	179.8	168.7	0	112.3	V90 R92 R97 E184 V186	V90-K94 HydrophobicContact CG1-CD 3.97Å; V90-K94 VanDerWaalsContact CG1-CE 3.47Å; V90-K94 HydrophobicContact CG1-CG 4.41Å; V90-K94 WeakPolarHBondContact O-CB 3.4Å; V90-K94 WeakPolarHBondContact O-CG 3.36Å; V90-K94 PolarHBondContact O-N 3.1Å; R92-K94 VanDerWaalsContact C-N 3.34Å; R92-K94 PolarHBondContact O-N 2.94Å; K94-R97 PolarHBondContact O-N 3.12Å; K94-E184 WeakPolarHBondContact CE-O 3.45Å; K94-E184 IonicContact NZ-OE2 3.76Å; K94-E184 PolarHBondContact NZ-OE2 3.12Å; K94-V186 HydrophobicContact CG-CG1 3.56Å
95	T	94.1	Very high	93.5	Very high	112 Å²	112	76.7 Å²	76.7	69%	0.687	37%	0.369	S	S	*	.	H	α-helix	trans	-67	-41.6	178.1	-55.2	0	0	0	0	111	K91 R92 L93 R97	K91-T95 PolarHBondContact O-N 3.33Å; K91-T95 VanDerWaalsContact O-N 3.14Å; K91-T95 PolarHBondContact O-OG1 3.22Å; R92-T95 WeakPolarHBondContact O-CA 3.43Å; R92-T95 WeakPolarHBondContact O-CB 3.42Å; R92-T95 PolarHBondContact O-N 2.71Å; L93-T95 VanDerWaalsContact C-N 3.31Å; L93-T95 PolarHBondContact O-N 3.36Å; T95-R97 VanDerWaalsContact C-N 3.33Å
96	E	94.3	Very high	94	Very high	110 Å²	110	74.7 Å²	74.7	51%	0.514	36%	0.364	S	S	.	.	H	α-helix	trans	-78.9	-15.2	179.7	-68.7	170.5	-173.9	0	0	113.2	R92 L93 T98	R92-E96 WeakPolarHBondContact CG-OE1 3.44Å; R92-E96 PolarHBondContact O-N 2.85Å; L93-E96 CarbonylContact O-C 3.54Å; L93-E96 PolarHBondContact O-N 2.82Å; E96-T98 HydrophobicContact CB-CG2 4.21Å; E96-T98 PolarHBondContact O-N 2.96Å
97	R	92.4	Very high	94.4	Very high	230 Å²	230	74.2 Å²	74.2	87%	0.868	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	38.9	-174.3	-57.1	-178.3	178.3	-177.6	-1	112.8	L93 K94 T95	L93-R97 WeakPolarHBondContact O-CA 3.28Å; L93-R97 PolarHBondContact O-N 3.17Å; K94-R97 PolarHBondContact O-N 3.12Å; T95-R97 VanDerWaalsContact C-N 3.33Å
98	T	94.8	Very high	94.6	Very high	63 Å²	63	71.6 Å²	71.6	39%	0.387	36%	0.357	S	S	.	.			trans	-113	145.7	-180	50.1	0	0	0	0	110	L93 E96	L93-T98 PolarHBondContact O-N 3.07Å; E96-T98 HydrophobicContact CB-CG2 4.21Å; E96-T98 PolarHBondContact O-N 2.96Å
99	L	96	Very high	94.6	Very high	70 Å²	70	73.1 Å²	73.1	37%	0.366	36%	0.362	S	S	.	.			trans	-82.2	141.1	166.7	-63	-179.8	0	0	0	108.7	Y185	L99-Y185 HydrophobicContact CD1-CE1 4.14Å; L99-Y185 HydrophobicContact CD2-CD1 3.81Å; L99-Y185 HydrophobicContact CD2-CE1 3.42Å; L99-Y185 VanDerWaalsContact CD2-CE1 3.42Å; L99-Y185 HydrophobicContact CG-CE1 4.45Å
100	W	96.4	Very high	94.7	Very high	19 Å²	19	80.3 Å²	80.3	7%	0.072	39%	0.392	C	S	.	.			trans	-68.7	139.6	177.6	-164	48.8	0	0	0	110.9	L89 L93 D102 R126 V186 V188 L203 I204 D205	L89-W100 HydrophobicContact CD2-CD2 4.36Å; L89-W100 HydrophobicContact CD2-CZ2 4.41Å; L93-W100 HydrophobicContact CD1-CB 3.66Å; L93-W100 HydrophobicContact CD1-CG 4.01Å; L93-W100 HydrophobicContact CD2-CB 4.27Å; W100-D102 HydrophobicContact CE3-CB 4.45Å; W100-D102 HydrophobicContact CH2-CB 3.96Å; W100-D102 HydrophobicContact CZ2-CB 4.35Å; W100-D102 HydrophobicContact CZ3-CB 4.04Å; W100-R126 PolarHBondContact O-NH1 2.87Å; W100-R126 PolarHBondContact O-NH2 2.88Å; W100-V186 PolarHBondContact N-O 3.18Å; W100-V188 HydrophobicContact CB-CG2 3.34Å; W100-V188 HydrophobicContact CD2-CG2 3.84Å; W100-V188 HydrophobicContact CE3-CB 4.2Å; W100-V188 HydrophobicContact CE3-CG1 3.94Å; W100-V188 HydrophobicContact CE3-CG2 3.75Å; W100-V188 HydrophobicContact CG-CG2 3.7Å; W100-V188 HydrophobicContact CZ3-CG1 4.2Å; W100-L203 HydrophobicContact CH2-CB 3.83Å; W100-L203 HydrophobicContact CZ3-CB 3.88Å; W100-I204 WeakPolarHBondContact CZ3-O 3.44Å; W100-D205 HydrophobicContact CE3-CB 4.18Å; W100-D205 WeakPolarHBondContact O-CB 3.05Å
101	E	96.7	Very high	94.9	Very high	121 Å²	121	79.8 Å²	79.8	57%	0.565	39%	0.389	S	S	*	.			trans	-121.6	119.8	168.4	-66.1	-161.4	-165	0	0	106.5	P103 R207	E101-P103 WeakPolarHBondContact O-CD 3.25Å; E101-R207 IonicContact OE1-NH1 3.94Å; E101-R207 IonicContact OE2-CZ 2.92Å; E101-R207 IonicContact OE2-NH1 3.96Å; E101-R207 PolarHBondContact OE2-NH1 3.17Å; E101-R207 IonicContact OE2-NH2 3.75Å
102	D	96.1	Very high	95.1	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.016	36%	0.359	C	S	.	.			trans	-68.7	111	-173.7	-171.2	-15.4	0	0	0	110.3	W100 D104 F105 D205 K239	W100-D102 HydrophobicContact CE3-CB 4.45Å; W100-D102 HydrophobicContact CH2-CB 3.96Å; W100-D102 HydrophobicContact CZ2-CB 4.35Å; W100-D102 HydrophobicContact CZ3-CB 4.04Å; D102-D104 PolarHBondContact O-N 2.76Å; D102-D104 PolarHBondContact OD1-N 3.03Å; D102-F105 CarbonylContact O-C 3.55Å; D102-F105 PolarHBondContact OD1-N 3.02Å; D102-D205 HydrophobicContact CB-CB 4.25Å; D102-D205 WeakPolarHBondContact CB-OD2 3.34Å; D102-D205 PolarHBondContact N-OD2 3.18Å; D102-K239 IonicContact OD1-NZ 2.72Å; D102-K239 PolarHBondContact OD1-NZ 3.49Å; D102-K239 WeakPolarHBondContact OD2-CD 3.43Å; D102-K239 WeakPolarHBondContact OD2-CE 3.42Å; D102-K239 IonicContact OD2-NZ 3.86Å; D102-K239 PolarHBondContact OD2-NZ 2.85Å
103	P	94.5	Very high	95.1	Very high	90 Å²	90	67.9 Å²	67.9	58%	0.584	35%	0.349	S	S	*	.	S	Bend	trans	-71.3	-23	-178.1	30.7	-34.7	0	0	0	112.3	E101	E101-P103 WeakPolarHBondContact O-CD 3.25Å
104	D	93.2	Very high	94.9	Very high	48 Å²	48	74.1 Å²	74.1	26%	0.257	38%	0.382	S	S	.	.	S	Bend	trans	-89.6	-20.4	-176.3	-62.7	-34.2	0	0	0	112.4	Q5 D102	Q5-D104 PolarHBondContact N-OD2 2.77Å; D102-D104 PolarHBondContact O-N 2.76Å; D102-D104 PolarHBondContact OD1-N 3.03Å
105	F	96.7	Very high	94.6	Very high	6 Å²	6	71.9 Å²	71.9	3%	0.026	37%	0.374	C	S	.	.	S	Bend	trans	-138	68.1	179.5	-159.1	-108.3	0	0	0	110.9	D102 A111 W124 K235 A238 K239 G242 Y244	D102-F105 CarbonylContact O-C 3.55Å; D102-F105 PolarHBondContact OD1-N 3.02Å; F105-A111 HydrophobicContact CD1-CB 3.98Å; F105-A111 HydrophobicContact CD2-CB 4.24Å; F105-A111 HydrophobicContact CE1-CB 3.6Å; F105-A111 HydrophobicContact CE2-CB 3.87Å; F105-A111 HydrophobicContact CG-CB 4.3Å; F105-A111 HydrophobicContact CZ-CB 3.55Å; F105-A111 WeakPolarHBondContact CZ-O 3.45Å; F105-W124 HydrophobicContact CE1-CH2 4.47Å; F105-K235 HydrophobicContact CD1-CG 4.45Å; F105-K235 HydrophobicContact CE1-CG 4.11Å; F105-A238 HydrophobicContact CZ-CB 4.05Å; F105-K239 HydrophobicContact CB-CB 4.12Å; F105-K239 HydrophobicContact CB-CD 3.7Å; F105-K239 HydrophobicContact CB-CG 3.8Å; F105-K239 HydrophobicContact CD1-CB 4.06Å; F105-K239 HydrophobicContact CD2-CB 3.76Å; F105-K239 HydrophobicContact CD2-CG 4Å; F105-K239 HydrophobicContact CE1-CB 4.37Å; F105-K239 VanDerWaalsContact CE2-CA 3.49Å; F105-K239 HydrophobicContact CE2-CB 4.1Å; F105-K239 HydrophobicContact CG-CB 3.72Å; F105-K239 HydrophobicContact CG-CD 4.27Å; F105-K239 HydrophobicContact CG-CG 3.94Å; F105-K239 HydrophobicContact CZ-CB 4.39Å; F105-G242 WeakPolarHBondContact CE2-O 3.42Å; F105-Y244 HydrophobicContact CE1-CE2 4.2Å; F105-Y244 HydrophobicContact CZ-CD2 4.31Å; F105-Y244 HydrophobicContact CZ-CE2 4.38Å
106	P	96.6	Very high	94	Very high	48 Å²	48	71.4 Å²	71.4	31%	0.312	37%	0.373	S	S	.	.			trans	-65.6	144	-172.9	28.5	-36.5	0	0	0	111.3	N108 A111	P106-N108 WeakPolarHBondContact CG-ND2 3.48Å; P106-N108 PolarHBondContact O-N 3.35Å; P106-A111 VanDerWaalsContact O-CB 3.28Å; P106-A111 WeakPolarHBondContact O-CB 3.45Å
107	A	96.9	Very high	93.3	Very high	26 Å²	26	73.8 Å²	73.8	22%	0.215	39%	0.389	C	S	.	.	S	Bend	trans	-70	69.1	178.6	0	0	0	0	0	112.5	W124 R207	A107-W124 HydrophobicContact CB-CB 3.78Å; A107-W124 HydrophobicContact CB-CD2 3.57Å; A107-W124 HydrophobicContact CB-CE3 3.79Å; A107-W124 HydrophobicContact CB-CG 3.59Å; A107-R207 HydrophobicContact CB-CB 4.34Å
108	N	94.9	Very high	92.9	Very high	62 Å²	62	64.7 Å²	64.7	33%	0.332	36%	0.356	S	S	.	.	S	Bend	trans	-148.7	-178.9	179	65.1	41.3	0	0	0	111.3	P106 K110 A111	P106-N108 WeakPolarHBondContact CG-ND2 3.48Å; P106-N108 PolarHBondContact O-N 3.35Å; N108-K110 PolarHBondContact O-N 3.4Å; N108-K110 VanDerWaalsContact OD1-CB 3.26Å; N108-K110 WeakPolarHBondContact OD1-CB 3.07Å; N108-K110 PolarHBondContact OD1-N 2.92Å; N108-A111 WeakPolarHBondContact O-CB 3.32Å; N108-A111 PolarHBondContact O-N 3.36Å
109	D	93.2	Very high	92.2	Very high	132 Å²	132	72.9 Å²	72.9	71%	0.706	38%	0.379	S	S	*	.	H	α-helix	trans	-58.6	-23.5	-175.2	-58.9	-19	0	0	0	114.1	A111 I112 G113	D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 2.73Å; D109-I112 PolarHBondContact O-N 2.98Å; D109-G113 PolarHBondContact O-N 3.36Å
110	K	94.6	Very high	91.7	Very high	170 Å²	170	73.4 Å²	73.4	74%	0.739	38%	0.38	S	S	*	.	H	α-helix	trans	-67	-34.5	176.5	-62.5	-177	177.5	178.9	0	112.5	N108 I112 C243	N108-K110 PolarHBondContact O-N 3.4Å; N108-K110 VanDerWaalsContact OD1-CB 3.26Å; N108-K110 WeakPolarHBondContact OD1-CB 3.07Å; N108-K110 PolarHBondContact OD1-N 2.92Å; K110-I112 VanDerWaalsContact C-N 3.28Å; K110-C243 WeakPolarHBondContact O-CB 3.3Å
111	A	96.6	Very high	91.4	Very high	1 Å²	1	81.3 Å²	81.3	1%	0.008	41%	0.41	C	S	.	.	H	α-helix	trans	-70.6	-27.7	176.4	0	0	0	0	0	111.9	F105 P106 N108 D109 W124 C243 Y244	F105-A111 HydrophobicContact CD1-CB 3.98Å; F105-A111 HydrophobicContact CD2-CB 4.24Å; F105-A111 HydrophobicContact CE1-CB 3.6Å; F105-A111 HydrophobicContact CE2-CB 3.87Å; F105-A111 HydrophobicContact CG-CB 4.3Å; F105-A111 HydrophobicContact CZ-CB 3.55Å; F105-A111 WeakPolarHBondContact CZ-O 3.45Å; P106-A111 VanDerWaalsContact O-CB 3.28Å; P106-A111 WeakPolarHBondContact O-CB 3.45Å; N108-A111 WeakPolarHBondContact O-CB 3.32Å; N108-A111 PolarHBondContact O-N 3.36Å; D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 2.73Å; A111-W124 HydrophobicContact CB-CH2 3.78Å; A111-W124 HydrophobicContact CB-CZ2 3.78Å; A111-C243 CarbonylContact O-C 3.59Å; A111-C243 VanDerWaalsContact O-CA 3.27Å; A111-C243 WeakPolarHBondContact O-CA 3.39Å; A111-C243 VanDerWaalsContact O-CB 3.3Å; A111-C243 WeakPolarHBondContact O-CB 3.27Å; A111-Y244 WeakPolarHBondContact O-CD2 3.49Å; A111-Y244 PolarHBondContact O-N 2.76Å
112	I	95.9	Very high	91.3	Very high	9 Å²	9	77.1 Å²	77.1	5%	0.046	39%	0.391	C	S	.	.	H	α-helix	trans	-74.8	-47	173.6	-54.8	-58.7	0	0	0	110.4	D109 K110 L115 I122 W124 P209 F219 Y244 A245	D109-I112 PolarHBondContact O-N 2.98Å; K110-I112 VanDerWaalsContact C-N 3.28Å; I112-L115 HydrophobicContact CG2-CD1 3.91Å; I112-I122 HydrophobicContact CD1-CD1 3.84Å; I112-I122 HydrophobicContact CG1-CD1 3.88Å; I112-I122 HydrophobicContact CG2-CD1 4.12Å; I112-W124 HydrophobicContact CD1-CH2 4.19Å; I112-W124 HydrophobicContact CD1-CZ2 3.57Å; I112-W124 HydrophobicContact CG1-CZ2 4.02Å; I112-P209 HydrophobicContact CD1-CB 4.07Å; I112-P209 HydrophobicContact CD1-CG 3.85Å; I112-F219 HydrophobicContact CD1-CE2 3.78Å; I112-F219 HydrophobicContact CD1-CZ 4.16Å; I112-F219 HydrophobicContact CG2-CZ 4.31Å; I112-Y244 HydrophobicContact CD1-CD2 4.1Å; I112-Y244 PolarHBondContact O-N 3.06Å; I112-A245 WeakPolarHBondContact O-CB 3.3Å; I112-A245 PolarHBondContact O-N 3.22Å
113	G	94.3	Very high	91.3	Very high	27 Å²	27	80 Å²	80	28%	0.278	40%	0.404	S	S	.	.			trans	80.9	-171.3	-174.7	0	0	0	0	0	112.7	D109 L115	D109-G113 PolarHBondContact O-N 3.36Å; G113-L115 PolarHBondContact O-N 2.99Å
114	N	91.2	Very high	91.4	Very high	136 Å²	136	77.8 Å²	77.8	73%	0.727	38%	0.384	S	S	*	.			trans	-87.1	108.8	-177.4	-174.9	22.7	0	0	0	111.2	A245	N114-A245 WeakPolarHBondContact O-CB 3.3Å
115	L	87.7	Confident	91.6	Very high	27 Å²	27	77.3 Å²	77.3	14%	0.141	38%	0.38	C	S	.	.			trans	-115.6	94.4	174.9	-70.2	173.9	0	0	0	109.3	I112 G113 D117 F118 L151 F219 A245	I112-L115 HydrophobicContact CG2-CD1 3.91Å; G113-L115 PolarHBondContact O-N 2.99Å; L115-D117 VanDerWaalsContact C-N 3.29Å; L115-D117 PolarHBondContact O-N 2.97Å; L115-F118 HydrophobicContact CB-CB 3.57Å; L115-F118 HydrophobicContact CD1-CB 4.23Å; L115-F118 HydrophobicContact CD1-CG 4.37Å; L115-F118 PolarHBondContact O-N 3.28Å; L115-L151 HydrophobicContact CD2-CD1 3.95Å; L115-F219 HydrophobicContact CD1-CE1 4.11Å; L115-F219 HydrophobicContact CD1-CZ 4.14Å; L115-A245 HydrophobicContact CD2-CB 3.79Å; L115-A245 HydrophobicContact CG-CB 3.96Å
116	P	81.4	Confident	91.7	Very high	102 Å²	102	77.7 Å²	77.7	66%	0.662	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.1	-170.1	-28	35.1	0	0	0	115.3
117	D	79.4	Confident	91.7	Very high	160 Å²	160	75.4 Å²	75.4	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.8	-177.5	-63.7	-45.3	0	0	0	113.5	L115 R119	L115-D117 VanDerWaalsContact C-N 3.29Å; L115-D117 PolarHBondContact O-N 2.97Å; D117-R119 PolarHBondContact O-N 2.86Å
118	F	83.7	Confident	91.6	Very high	39 Å²	39	77.2 Å²	77.2	17%	0.171	37%	0.37	C	S	.	.			trans	-91.5	102.9	-177.3	-168.6	-94.4	0	0	0	111.1	L115 E120 I122 A150 V218	L115-F118 HydrophobicContact CB-CB 3.57Å; L115-F118 HydrophobicContact CD1-CB 4.23Å; L115-F118 HydrophobicContact CD1-CG 4.37Å; L115-F118 PolarHBondContact O-N 3.28Å; F118-E120 HydrophobicContact CE1-CB 3.93Å; F118-E120 VanDerWaalsContact CE1-O 3.29Å; F118-E120 WeakPolarHBondContact CE1-O 3.39Å; F118-E120 HydrophobicContact CE2-CB 4.23Å; F118-E120 HydrophobicContact CE2-CG 4.41Å; F118-E120 HydrophobicContact CZ-CB 3.66Å; F118-E120 HydrophobicContact CZ-CG 4.32Å; F118-I122 HydrophobicContact CD1-CD1 4.29Å; F118-I122 HydrophobicContact CE1-CD1 3.43Å; F118-I122 VanDerWaalsContact CE1-CD1 3.43Å; F118-I122 HydrophobicContact CE1-CG1 3.72Å; F118-I122 HydrophobicContact CZ-CD1 3.99Å; F118-I122 HydrophobicContact CZ-CG1 4.1Å; F118-A150 HydrophobicContact CD2-CB 3.84Å; F118-A150 HydrophobicContact CE2-CB 3.67Å; F118-V218 HydrophobicContact CE1-CG1 4.39Å; F118-V218 HydrophobicContact CE2-CG1 3.4Å; F118-V218 HydrophobicContact CZ-CB 4.49Å; F118-V218 HydrophobicContact CZ-CG1 3.31Å; F118-V218 HydrophobicContact CZ-CG2 4.33Å
119	R	81.4	Confident	91.6	Very high	234 Å²	234	79.1 Å²	79.1	88%	0.883	38%	0.377	S	S	*	.			trans	-101.3	-5.4	-177.2	-61.5	-173.7	-177.8	-177.1	2	114.6	D117	D117-R119 PolarHBondContact O-N 2.86Å
120	E	84.1	Confident	91.8	Very high	81 Å²	81	73.7 Å²	73.7	38%	0.379	35%	0.348	S	S	.	.			trans	-73.6	148.9	-177.2	-56.2	-169.2	-132.1	0	0	111	F118 R211	F118-E120 HydrophobicContact CE1-CB 3.93Å; F118-E120 VanDerWaalsContact CE1-O 3.29Å; F118-E120 WeakPolarHBondContact CE1-O 3.39Å; F118-E120 HydrophobicContact CE2-CB 4.23Å; F118-E120 HydrophobicContact CE2-CG 4.41Å; F118-E120 HydrophobicContact CZ-CB 3.66Å; F118-E120 HydrophobicContact CZ-CG 4.32Å; E120-R211 IonicContact OE1-CZ 3.19Å; E120-R211 IonicContact OE1-NE 2.74Å; E120-R211 PolarHBondContact OE1-NE 3.09Å; E120-R211 VanDerWaalsContact OE1-NE 3.1Å; E120-R211 IonicContact OE1-NH2 2.76Å; E120-R211 PolarHBondContact OE1-NH2 3.06Å; E120-R211 WeakPolarHBondContact OE2-CD 3.41Å; E120-R211 VanDerWaalsContact OE2-CG 3.25Å; E120-R211 WeakPolarHBondContact OE2-CG 3.39Å; E120-R211 IonicContact OE2-NE 2.71Å; E120-R211 PolarHBondContact OE2-NE 3.25Å
121	R	91	Very high	91.8	Very high	186 Å²	186	67 Å²	67	70%	0.702	32%	0.32	S	S	*	.			trans	-85.4	140.1	172.9	-67.6	-178.8	178.6	-175.2	-0.1	109.7	Q212	R121-Q212 HydrophobicContact CB-CB 3.76Å; R121-Q212 HydrophobicContact CB-CG 4.44Å; R121-Q212 VanDerWaalsContact CB-OE1 3.27Å; R121-Q212 VanDerWaalsContact O-CB 3.29Å; R121-Q212 WeakPolarHBondContact O-CB 3.43Å; R121-Q212 PolarHBondContact O-N 3.03Å
122	I	93.7	Very high	91.7	Very high	33 Å²	33	71.8 Å²	71.8	17%	0.169	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.3	-175.7	-65.4	169.2	0	0	0	110.1	I112 F118 P209 V210 V218	I112-I122 HydrophobicContact CD1-CD1 3.84Å; I112-I122 HydrophobicContact CG1-CD1 3.88Å; I112-I122 HydrophobicContact CG2-CD1 4.12Å; F118-I122 HydrophobicContact CD1-CD1 4.29Å; F118-I122 HydrophobicContact CE1-CD1 3.43Å; F118-I122 VanDerWaalsContact CE1-CD1 3.43Å; F118-I122 HydrophobicContact CE1-CG1 3.72Å; F118-I122 HydrophobicContact CZ-CD1 3.99Å; F118-I122 HydrophobicContact CZ-CG1 4.1Å; I122-P209 HydrophobicContact CG2-CB 3.77Å; I122-V210 WeakPolarHBondContact CA-O 3.42Å; I122-V218 HydrophobicContact CG1-CG2 4.24Å
123	E	96.1	Very high	91.6	Very high	63 Å²	63	76.3 Å²	76.3	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	154.7	161.1	-69.9	174.7	173.1	0	0	108.8	K125 V210 Q212 G213	E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 3.96Å; E123-V210 HydrophobicContact CB-CG2 3.85Å; E123-V210 PolarHBondContact N-O 3.35Å; E123-V210 VanDerWaalsContact O-CG2 3.31Å; E123-V210 WeakPolarHBondContact O-CG2 3.43Å; E123-V210 PolarHBondContact O-N 3.31Å; E123-Q212 HydrophobicContact CG-CB 4.18Å; E123-Q212 HydrophobicContact CG-CG 4.18Å; E123-Q212 WeakPolarHBondContact OE1-CG 3.37Å; E123-G213 PolarHBondContact OE2-N 3.32Å
124	W	97.6	Very high	91.7	Very high	43 Å²	43	75.1 Å²	75.1	16%	0.163	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.3	176.5	-71.7	83	0	0	0	109.5	F105 A107 A111 I112 R207 L208 P209 K235 Y244	F105-W124 HydrophobicContact CE1-CH2 4.47Å; A107-W124 HydrophobicContact CB-CB 3.78Å; A107-W124 HydrophobicContact CB-CD2 3.57Å; A107-W124 HydrophobicContact CB-CE3 3.79Å; A107-W124 HydrophobicContact CB-CG 3.59Å; A111-W124 HydrophobicContact CB-CH2 3.78Å; A111-W124 HydrophobicContact CB-CZ2 3.78Å; I112-W124 HydrophobicContact CD1-CH2 4.19Å; I112-W124 HydrophobicContact CD1-CZ2 3.57Å; I112-W124 HydrophobicContact CG1-CZ2 4.02Å; W124-R207 HydrophobicContact CB-CB 4.31Å; W124-R207 HydrophobicContact CE3-CB 4.15Å; W124-R207 VanDerWaalsContact CE3-O 3.27Å; W124-R207 WeakPolarHBondContact CZ3-O 3.21Å; W124-L208 WeakPolarHBondContact CA-O 3.28Å; W124-P209 HydrophobicContact CE3-CG 4.22Å; W124-P209 HydrophobicContact CH2-CG 3.81Å; W124-P209 HydrophobicContact CZ2-CG 4.13Å; W124-P209 HydrophobicContact CZ3-CG 3.84Å; W124-K235 HydrophobicContact CZ3-CD 4.38Å; W124-Y244 HydrophobicContact CH2-CE2 4.01Å
125	K	97.6	Very high	91.9	Very high	39 Å²	39	73.5 Å²	73.5	17%	0.17	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143	-177.4	-69.8	-174	-173.3	157.1	0	111.2	E123 E129 I130 R207 L208 V210 R214 N215	E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 3.96Å; K125-E129 WeakPolarHBondContact CA-OE2 3.45Å; K125-E129 HydrophobicContact CB-CB 4.18Å; K125-I130 HydrophobicContact CB-CD1 4.18Å; K125-I130 HydrophobicContact CB-CG1 3.7Å; K125-I130 HydrophobicContact CD-CG1 4.45Å; K125-R207 CarbonylContact O-C 3.6Å; K125-R207 WeakPolarHBondContact O-CA 3.48Å; K125-L208 PolarHBondContact N-O 3.01Å; K125-L208 PolarHBondContact O-N 3.36Å; K125-V210 HydrophobicContact CB-CG1 4.42Å; K125-V210 HydrophobicContact CB-CG2 4.3Å; K125-V210 HydrophobicContact CD-CG2 3.85Å; K125-V210 HydrophobicContact CG-CG2 3.91Å; K125-R214 PolarHBondContact NZ-O 2.95Å; K125-N215 PolarHBondContact NZ-OD1 3.37Å
126	R	97.6	Very high	92.2	Very high	14 Å²	14	72.5 Å²	72.5	5%	0.053	34%	0.344	C	S	.	.			trans	-72.6	157	171.3	-57.3	-172.6	-179.8	-93.7	4.3	109.9	W100 H128 E129 I130 Y185 D206 R207	W100-R126 PolarHBondContact O-NH1 2.87Å; W100-R126 PolarHBondContact O-NH2 2.88Å; R126-H128 VanDerWaalsContact C-N 3.26Å; R126-H128 PolarHBondContact O-N 3.04Å; R126-H128 VanDerWaalsContact O-N 3.17Å; R126-E129 HydrophobicContact CB-CG 4.23Å; R126-E129 PolarHBondContact N-OE2 2.69Å; R126-E129 WeakPolarHBondContact O-CB 3.25Å; R126-E129 PolarHBondContact O-N 2.59Å; R126-I130 WeakPolarHBondContact O-CG1 3.26Å; R126-I130 PolarHBondContact O-N 2.83Å; R126-Y185 WeakPolarHBondContact CD-OH 3.09Å; R126-D206 WeakPolarHBondContact CD-OD1 3.26Å; R126-D206 VanDerWaalsContact CG-OD1 3.27Å; R126-D206 WeakPolarHBondContact CG-OD1 3.48Å; R126-D206 IonicContact CZ-OD1 3.65Å; R126-D206 IonicContact NE-OD1 3.98Å; R126-D206 IonicContact NH1-OD1 3.55Å; R126-D206 PolarHBondContact NH1-OD1 3.13Å; R126-R207 HydrophobicContact CG-CG 3.71Å
127	P	97.3	Very high	92.7	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-37.7	-172.6	-28.4	40.9	0	0	0	112.9	E129 I130 N131 A134 L180 D206 F228	P127-E129 VanDerWaalsContact C-N 3.29Å; P127-E129 PolarHBondContact O-N 3.25Å; P127-I130 WeakPolarHBondContact O-CB 3.26Å; P127-I130 PolarHBondContact O-N 3.4Å; P127-N131 PolarHBondContact O-N 3.37Å; P127-A134 HydrophobicContact CB-CB 3.72Å; P127-L180 HydrophobicContact CB-CD1 3.9Å; P127-L180 HydrophobicContact CG-CD1 3.94Å; P127-L180 HydrophobicContact CG-CD2 4.4Å; P127-D206 VanDerWaalsContact CD-CG 3.47Å; P127-D206 VanDerWaalsContact CD-O 3.3Å; P127-D206 WeakPolarHBondContact CD-O 3.43Å; P127-D206 VanDerWaalsContact CD-OD2 3.27Å; P127-D206 WeakPolarHBondContact CD-OD2 3.45Å; P127-D206 HydrophobicContact CG-CB 4.15Å; P127-F228 HydrophobicContact CB-CB 4.37Å; P127-F228 HydrophobicContact CB-CD1 3.86Å; P127-F228 HydrophobicContact CB-CD2 3.88Å; P127-F228 HydrophobicContact CB-CE1 4.05Å; P127-F228 HydrophobicContact CB-CE2 4.09Å; P127-F228 HydrophobicContact CB-CG 3.76Å; P127-F228 HydrophobicContact CB-CZ 4.16Å; P127-F228 HydrophobicContact CG-CB 4.43Å; P127-F228 HydrophobicContact CG-CD1 4.22Å; P127-F228 HydrophobicContact CG-CG 4.24Å
128	H	94.8	Very high	93.1	Very high	64 Å²	64	63 Å²	63	30%	0.296	29%	0.289	S	S	.	.	H	α-helix	trans	-70.8	-20.5	177.7	63.3	-95.1	0	0	0	114.1	R126 N131 Y185	R126-H128 VanDerWaalsContact C-N 3.26Å; R126-H128 PolarHBondContact O-N 3.04Å; R126-H128 VanDerWaalsContact O-N 3.17Å; H128-N131 WeakPolarHBondContact CA-O 3.37Å; H128-Y185 AromaticContact CE1-CE1 3.84Å; H128-Y185 AromaticContact CE1-CZ 3.84Å; H128-Y185 PolarHBondContact CE1-OH 3.41Å; H128-Y185 VanDerWaalsContact CE1-OH 3.22Å; H128-Y185 AromaticContact ND1-CZ 3.94Å; H128-Y185 PolarHBondContact ND1-OH 3.38Å
129	E	95.6	Very high	93	Very high	101 Å²	101	65.5 Å²	65.5	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-81.4	-24.5	172.9	-57.7	174.9	139.3	0	0	111.5	K125 R126 P127 N215	K125-E129 WeakPolarHBondContact CA-OE2 3.45Å; K125-E129 HydrophobicContact CB-CB 4.18Å; R126-E129 HydrophobicContact CB-CG 4.23Å; R126-E129 PolarHBondContact N-OE2 2.69Å; R126-E129 WeakPolarHBondContact O-CB 3.25Å; R126-E129 PolarHBondContact O-N 2.59Å; P127-E129 VanDerWaalsContact C-N 3.29Å; P127-E129 PolarHBondContact O-N 3.25Å; E129-N215 PolarHBondContact O-ND2 2.92Å
130	I	96.8	Very high	93	Very high	18 Å²	18	56 Å²	56	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-81.5	-52.2	175.8	-58	172.5	0	0	0	109.7	K125 R126 P127 L208 V210 N215 L217 F228	K125-I130 HydrophobicContact CB-CD1 4.18Å; K125-I130 HydrophobicContact CB-CG1 3.7Å; K125-I130 HydrophobicContact CD-CG1 4.45Å; R126-I130 WeakPolarHBondContact O-CG1 3.26Å; R126-I130 PolarHBondContact O-N 2.83Å; P127-I130 WeakPolarHBondContact O-CB 3.26Å; P127-I130 PolarHBondContact O-N 3.4Å; I130-L208 HydrophobicContact CD1-CB 4.43Å; I130-V210 HydrophobicContact CD1-CG1 3.51Å; I130-V210 HydrophobicContact CG1-CG1 3.9Å; I130-N215 HydrophobicContact CG2-CB 4.01Å; I130-N215 VanDerWaalsContact CG2-O 3.32Å; I130-N215 WeakPolarHBondContact CG2-O 3.44Å; I130-N215 PolarHBondContact O-ND2 2.94Å; I130-L217 HydrophobicContact CD1-CD2 3.89Å; I130-F228 HydrophobicContact CB-CE1 4.35Å; I130-F228 HydrophobicContact CB-CZ 4.26Å; I130-F228 HydrophobicContact CD1-CE1 4.05Å; I130-F228 HydrophobicContact CG2-CE1 4.29Å; I130-F228 HydrophobicContact CG2-CZ 4.21Å
131	N	95.3	Very high	92.8	Very high	29 Å²	29	53.6 Å²	53.6	16%	0.155	30%	0.295	C	S	.	.			trans	-137.5	118	178.1	-171.4	-27.1	0	0	0	110.5	P127 H128 N133 A134 P225 F228	P127-N131 PolarHBondContact O-N 3.37Å; H128-N131 WeakPolarHBondContact CA-O 3.37Å; N131-N133 PolarHBondContact O-N 2.95Å; N131-N133 PolarHBondContact OD1-N 3.38Å; N131-A134 VanDerWaalsContact O-CB 3.23Å; N131-A134 WeakPolarHBondContact O-CB 3.38Å; N131-A134 PolarHBondContact O-N 3.47Å; N131-P225 PolarHBondContact ND2-O 3.33Å; N131-F228 HydrophobicContact CB-CE2 4.4Å; N131-F228 HydrophobicContact CB-CZ 4.24Å
132	P	93.8	Very high	92.1	Very high	103 Å²	103	46.6 Å²	46.6	67%	0.669	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.4	179	-25.8	34.6	0	0	0	114.6	A134	P132-A134 VanDerWaalsContact C-N 3.34Å
133	N	94.5	Very high	90.9	Very high	103 Å²	103	48 Å²	48	55%	0.551	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	9.2	178.3	-68.5	-41.3	0	0	0	113.8	N131 K135 T226	N131-N133 PolarHBondContact O-N 2.95Å; N131-N133 PolarHBondContact OD1-N 3.38Å; N133-K135 PolarHBondContact O-N 3.1Å; N133-T226 HydrophobicContact CB-CG2 4.02Å
134	A	95.6	Very high	89.7	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.017	28%	0.282	C	S	.	.			trans	-47.3	138.1	-179.2	0	0	0	0	0	113.1	P127 N131 P132 K181 T226 F228	P127-A134 HydrophobicContact CB-CB 3.72Å; N131-A134 VanDerWaalsContact O-CB 3.23Å; N131-A134 WeakPolarHBondContact O-CB 3.38Å; N131-A134 PolarHBondContact O-N 3.47Å; P132-A134 VanDerWaalsContact C-N 3.34Å; A134-K181 PolarHBondContact O-NZ 3.22Å; A134-T226 CarbonylContact C-O 3.59Å; A134-T226 WeakPolarHBondContact CA-O 3.49Å; A134-F228 HydrophobicContact CB-CD2 3.82Å; A134-F228 HydrophobicContact CB-CE2 3.49Å; A134-F228 VanDerWaalsContact CB-CE2 3.49Å; A134-F228 HydrophobicContact CB-CZ 4.34Å
135	K	94.6	Very high	88.8	Confident	102 Å²	102	47.8 Å²	47.8	44%	0.443	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-136.3	152.8	176.9	-62	175.7	-173.9	168.5	0	108.4	N133 F137 A138 L180 T226 F228	N133-K135 PolarHBondContact O-N 3.1Å; K135-F137 WeakPolarHBondContact CB-O 3.39Å; K135-A138 HydrophobicContact CD-CB 4.42Å; K135-L180 WeakPolarHBondContact O-CD1 3.21Å; K135-T226 PolarHBondContact N-O 2.89Å; K135-F228 PolarHBondContact O-N 3.29Å
136	F	95	Very high	88.1	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.026	27%	0.27	C	S	.	.	S	Bend	trans	-67.2	-52.8	171	-167.2	-108	0	0	0	109.8	V174 Q178 L180 V189 F191 E227 W229 L232	F136-V174 HydrophobicContact CE1-CG1 3.74Å; F136-V174 HydrophobicContact CZ-CG1 3.87Å; F136-Q178 WeakPolarHBondContact CB-O 3.2Å; F136-Q178 HydrophobicContact CD1-CB 3.94Å; F136-Q178 HydrophobicContact CD2-CB 4.18Å; F136-Q178 HydrophobicContact CE1-CB 4.06Å; F136-Q178 HydrophobicContact CE1-CG 4.46Å; F136-Q178 HydrophobicContact CE2-CB 4.3Å; F136-Q178 HydrophobicContact CG-CB 4.01Å; F136-Q178 HydrophobicContact CZ-CB 4.25Å; F136-Q178 VanDerWaalsContact CZ-NE2 3.31Å; F136-L180 HydrophobicContact CB-CD1 4.3Å; F136-L180 HydrophobicContact CB-CG 4.14Å; F136-L180 HydrophobicContact CD2-CD1 4.41Å; F136-L180 HydrophobicContact CD2-CD2 4.19Å; F136-L180 HydrophobicContact CD2-CG 4.31Å; F136-V189 HydrophobicContact CE2-CG1 3.72Å; F136-V189 HydrophobicContact CZ-CG1 4.39Å; F136-F191 HydrophobicContact CE2-CZ 4.05Å; F136-F191 HydrophobicContact CZ-CE1 4.1Å; F136-F191 AromaticContact CZ-CZ 3.89Å; F136-F191 HydrophobicContact CZ-CZ 3.89Å; F136-E227 WeakPolarHBondContact O-CG 3.41Å; F136-W229 HydrophobicContact CD1-CB 4.14Å; F136-W229 HydrophobicContact CD2-CB 4.22Å; F136-W229 HydrophobicContact CE1-CB 3.86Å; F136-W229 HydrophobicContact CE2-CB 3.94Å; F136-W229 HydrophobicContact CG-CB 4.31Å; F136-W229 HydrophobicContact CZ-CB 3.74Å; F136-W229 WeakPolarHBondContact O-CB 3.3Å; F136-W229 PolarHBondContact O-N 2.94Å; F136-L232 HydrophobicContact CD2-CD1 4.03Å; F136-L232 HydrophobicContact CE2-CD1 3.98Å
137	F	92.4	Very high	87.4	Confident	40 Å²	40	48.1 Å²	48.1	18%	0.175	28%	0.28	C	S	.	.			trans	-116.7	141	169.6	-65.1	-66.6	0	0	0	112.1	K135 A141 F170 V174 K176 E227 W229	K135-F137 WeakPolarHBondContact CB-O 3.39Å; F137-A141 HydrophobicContact CD1-CB 4.13Å; F137-A141 HydrophobicContact CE1-CB 3.65Å; F137-A141 HydrophobicContact CZ-CB 4.47Å; F137-F170 HydrophobicContact CE1-CE1 4Å; F137-F170 AromaticContact CE1-CZ 3.99Å; F137-F170 HydrophobicContact CE1-CZ 3.99Å; F137-F170 AromaticContact CZ-CE1 3.82Å; F137-F170 HydrophobicContact CZ-CE1 3.82Å; F137-F170 HydrophobicContact CZ-CZ 4.12Å; F137-V174 HydrophobicContact CZ-CG1 3.73Å; F137-K176 HydrophobicContact CE2-CB 4.47Å; F137-K176 HydrophobicContact CE2-CG 4.16Å; F137-E227 WeakPolarHBondContact CA-OE1 3.4Å; F137-W229 HydrophobicContact CD1-CB 4.23Å; F137-W229 AromaticContact CD1-CD1 3.35Å; F137-W229 AromaticContact CD1-CG 3.78Å; F137-W229 HydrophobicContact CD1-CG 3.78Å; F137-W229 AromaticContact CD1-NE1 3.87Å; F137-W229 HydrophobicContact CE1-CB 3.84Å; F137-W229 AromaticContact CE1-CD1 3.45Å; F137-W229 VanDerWaalsContact CE1-CD1 3.45Å; F137-W229 AromaticContact CE1-CD2 3.84Å; F137-W229 HydrophobicContact CE1-CD2 3.84Å; F137-W229 AromaticContact CE1-CG 3.41Å; F137-W229 HydrophobicContact CE1-CG 3.41Å; F137-W229 VanDerWaalsContact CE1-CG 3.41Å; F137-W229 AromaticContact CE1-NE1 3.86Å; F137-W229 HydrophobicContact CZ-CB 4.32Å; F137-W229 HydrophobicContact CZ-CG 4.29Å
138	A	86.8	Confident	86.7	Confident	22 Å²	22	49.7 Å²	49.7	18%	0.182	29%	0.288	C	S	.	.	S	Bend	trans	-119.1	77.3	173.7	0	0	0	0	0	110.2	K135 D224 E227	K135-A138 HydrophobicContact CD-CB 4.42Å; A138-D224 WeakPolarHBondContact CB-OD2 3.43Å; A138-E227 HydrophobicContact CB-CB 3.82Å; A138-E227 HydrophobicContact CB-CG 4.2Å; A138-E227 PolarHBondContact N-OE1 3.42Å
139	G	80.8	Confident	86.4	Confident	92 Å²	92	47.7 Å²	47.7	95%	0.948	29%	0.285	S	S	*	.	S	Bend	trans	102.1	4.9	-177.9	0	0	0	0	0	114.4
140	G	82.2	Confident	85.9	Confident	35 Å²	35	45.1 Å²	45.1	36%	0.361	28%	0.281	S	S	.	.	S	Bend	trans	98.2	162.7	-177	0	0	0	0	0	110.6	S142	G140-S142 PolarHBondContact O-N 2.93Å
141	A	80.1	Confident	85.5	Confident	30 Å²	30	44.4 Å²	44.4	25%	0.248	28%	0.277	C	S	.	.			trans	-66.3	128.9	179	0	0	0	0	0	110.5	F137 F170 W229	F137-A141 HydrophobicContact CD1-CB 4.13Å; F137-A141 HydrophobicContact CE1-CB 3.65Å; F137-A141 HydrophobicContact CZ-CB 4.47Å; A141-F170 HydrophobicContact CB-CD1 4Å; A141-F170 HydrophobicContact CB-CE1 3.28Å; A141-F170 HydrophobicContact CB-CE2 3.98Å; A141-F170 HydrophobicContact CB-CZ 3.27Å; A141-W229 HydrophobicContact CB-CZ2 4.22Å
142	S	76.8	Confident	85	Confident	40 Å²	40	43.8 Å²	43.8	28%	0.28	28%	0.277	S	S	.	.			trans	-134.6	157.4	176.6	-176.8	0	0	0	0	110.3	G140 F144 D145	G140-S142 PolarHBondContact O-N 2.93Å; S142-F144 PolarHBondContact O-N 2.97Å; S142-F144 VanDerWaalsContact OG-CD2 3.26Å; S142-F144 WeakPolarHBondContact OG-CD2 3.39Å; S142-F144 PolarHBondContact OG-N 3.48Å; S142-D145 WeakPolarHBondContact CB-OD1 3.16Å; S142-D145 PolarHBondContact N-OD2 2.93Å; S142-D145 WeakPolarHBondContact O-CB 3.36Å; S142-D145 PolarHBondContact O-N 3.17Å
143	R	68.7	Low	84.8	Confident	61 Å²	61	38.9 Å²	38.9	23%	0.23	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.3	173.9	67.6	-168.5	-169.4	175	-0.9	113.6	D145 A161 S164 R336 D374 E376	R143-D145 VanDerWaalsContact C-N 3.3Å; R143-A161 HydrophobicContact CB-CB 4.31Å; R143-S164 PolarHBondContact N-OG 3.14Å; R143-R336 VanDerWaalsContact CD-CZ 3.47Å; R143-R336 PolarHBondContact O-NH2 2.96Å; R143-D374 IonicContact NH2-OD1 2.74Å; R143-D374 IonicContact NH2-OD2 3.49Å; R143-D374 PolarHBondContact NH2-OD2 3.31Å; R143-E376 IonicContact NH1-OE2 3.35Å
144	F	70.8	Confident	84.5	Confident	90 Å²	90	34.7 Å²	34.7	40%	0.395	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.6	175.7	-58.9	-64	0	0	0	113	S142 I146 D374	S142-F144 PolarHBondContact O-N 2.97Å; S142-F144 VanDerWaalsContact OG-CD2 3.26Å; S142-F144 WeakPolarHBondContact OG-CD2 3.39Å; S142-F144 PolarHBondContact OG-N 3.48Å; F144-I146 PolarHBondContact O-N 2.7Å; F144-D374 HydrophobicContact CE1-CB 3.82Å; F144-D374 HydrophobicContact CZ-CB 3.77Å
145	D	78.4	Confident	84.3	Confident	12 Å²	12	34.9 Å²	34.9	6%	0.064	23%	0.225	C	C	.	.	S	Bend	trans	-85.1	8.7	-177.7	-45.4	-11.4	0	0	0	111.8	S142 R143 H221 S222 E227 W229 S230	S142-D145 WeakPolarHBondContact CB-OD1 3.16Å; S142-D145 PolarHBondContact N-OD2 2.93Å; S142-D145 WeakPolarHBondContact O-CB 3.36Å; S142-D145 PolarHBondContact O-N 3.17Å; R143-D145 VanDerWaalsContact C-N 3.3Å; D145-H221 CarbonylContact O-C 3.51Å; D145-S222 WeakPolarHBondContact CA-OG 3.32Å; D145-S222 WeakPolarHBondContact O-CA 3.18Å; D145-E227 WeakPolarHBondContact CB-OE2 3.45Å; D145-E227 VanDerWaalsContact OD1-OE2 3.11Å; D145-W229 HydrophobicContact CB-CZ2 3.95Å; D145-W229 PolarHBondContact OD2-NE1 3.25Å; D145-S230 WeakPolarHBondContact O-CB 3.29Å; D145-S230 PolarHBondContact O-OG 2.85Å
146	I	82.2	Confident	84.2	Confident	4 Å²	4	30 Å²	30	2%	0.021	20%	0.204	C	C	.	.			trans	-131.1	97	-166	-57.7	162.3	0	0	0	108.7	F144 L157 V160 A161 M220 W229	F144-I146 PolarHBondContact O-N 2.7Å; I146-L157 HydrophobicContact CG2-CB 3.75Å; I146-L157 HydrophobicContact CG2-CD2 3.84Å; I146-L157 HydrophobicContact CG2-CG 3.68Å; I146-V160 HydrophobicContact CD1-CB 4.18Å; I146-V160 HydrophobicContact CD1-CG1 3.7Å; I146-V160 HydrophobicContact CG1-CG1 4.39Å; I146-A161 HydrophobicContact CD1-CB 3.57Å; I146-M220 HydrophobicContact CG2-CG 4.33Å; I146-M220 HydrophobicContact CG2-SD 4.09Å; I146-W229 HydrophobicContact CD1-CH2 4.06Å; I146-W229 HydrophobicContact CD1-CZ2 4.38Å; I146-W229 HydrophobicContact CG1-CH2 4.3Å; I146-W229 HydrophobicContact CG1-CZ2 4.36Å
147	E	82.5	Confident	84	Confident	56 Å²	56	29.9 Å²	29.9	26%	0.262	20%	0.203	S	C	.	.	B	Isolated β-bridge	trans	-116.3	139.7	168.6	-60.9	-155.9	136.2	0	0	110.1	M220 H221 N223	E147-M220 VanDerWaalsContact O-CA 3.31Å; E147-M220 WeakPolarHBondContact O-CA 3.46Å; E147-H221 WeakPolarHBondContact CB-O 3.38Å; E147-H221 PolarHBondContact N-O 3.16Å; E147-H221 PolarHBondContact O-N 2.86Å; E147-H221 VanDerWaalsContact O-N 3.13Å; E147-H221 IonicContact OE2-CD2 3.85Å; E147-H221 IonicContact OE2-NE2 2.77Å; E147-N223 VanDerWaalsContact CD-ND2 3.25Å; E147-N223 PolarHBondContact OE1-ND2 3.33Å; E147-N223 PolarHBondContact OE1-OD1 3Å; E147-N223 PolarHBondContact OE2-OD1 3.21Å
148	Q	84.2	Confident	83.7	Confident	33 Å²	33	28 Å²	28	15%	0.154	20%	0.195	C	C	.	.			trans	-74.4	134.7	179.5	-161.6	173	-29.6	0	0	111.1	L151 C154 L157 E302	Q148-L151 PolarHBondContact NE2-O 3.17Å; Q148-C154 VanDerWaalsContact OE1-CB 3.24Å; Q148-L157 VanDerWaalsContact CA-CD2 3.4Å; Q148-L157 HydrophobicContact CB-CD2 3.55Å; Q148-L157 HydrophobicContact CG-CD2 3.89Å; Q148-E302 VanDerWaalsContact CD-OE1 3.3Å; Q148-E302 PolarHBondContact NE2-OE1 3.24Å; Q148-E302 PolarHBondContact OE1-OE1 2.7Å
149	G	87	Confident	84	Confident	23 Å²	23	27 Å²	27	24%	0.237	19%	0.186	C	C	.	.			trans	-92.3	-143.9	171.6	0	0	0	0	0	112.4	L151 V218 F219	G149-L151 PolarHBondContact O-N 3.27Å; G149-V218 CarbonylContact C-O 3.54Å; G149-V218 WeakPolarHBondContact CA-O 3.3Å; G149-F219 WeakPolarHBondContact CA-O 3.47Å
150	A	86.5	Confident	84.6	Confident	47 Å²	47	22.6 Å²	22.6	39%	0.388	14%	0.141	S	C	.	.	S	Bend	trans	-80.3	9	-177	0	0	0	0	0	114.8	F118 V218	F118-A150 HydrophobicContact CD2-CB 3.84Å; F118-A150 HydrophobicContact CE2-CB 3.67Å; A150-V218 HydrophobicContact CB-CG1 4.16Å; A150-V218 PolarHBondContact N-O 3.39Å
151	L	87.2	Confident	84.8	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	-108.9	142.8	-173	-171.5	65	0	0	0	110.7	L115 Q148 G149 D153 F219 Y244 L247 S248	L115-L151 HydrophobicContact CD2-CD1 3.95Å; Q148-L151 PolarHBondContact NE2-O 3.17Å; G149-L151 PolarHBondContact O-N 3.27Å; L151-D153 HydrophobicContact CD2-CB 4.12Å; L151-D153 HydrophobicContact CG-CB 4.1Å; L151-D153 PolarHBondContact O-N 2.86Å; L151-D153 VanDerWaalsContact O-N 3.12Å; L151-F219 HydrophobicContact CB-CD1 3.74Å; L151-F219 HydrophobicContact CB-CE1 4.13Å; L151-F219 HydrophobicContact CD2-CD1 4.36Å; L151-Y244 HydrophobicContact CD2-CD1 4.14Å; L151-L247 HydrophobicContact CD2-CB 3.99Å; L151-L247 HydrophobicContact CD2-CD1 4.33Å; L151-S248 WeakPolarHBondContact CD1-OG 3.19Å
152	G	85.3	Confident	85	Confident	16 Å²	16	20.5 Å²	20.5	17%	0.165	12%	0.12	C	C	.	.	S	Bend	trans	-85.6	53.2	179.8	0	0	0	0	0	112.8	G249	G152-G249 PolarHBondContact O-N 2.74Å
153	D	89.2	Confident	85.6	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.			trans	-116.3	25.1	-174.8	70.7	-28	0	0	0	113.4	L151 W155 L156 L157 E234 L247	L151-D153 HydrophobicContact CD2-CB 4.12Å; L151-D153 HydrophobicContact CG-CB 4.1Å; L151-D153 PolarHBondContact O-N 2.86Å; L151-D153 VanDerWaalsContact O-N 3.12Å; D153-W155 PolarHBondContact O-N 3.16Å; D153-L156 WeakPolarHBondContact O-CB 3.47Å; D153-L156 PolarHBondContact O-N 2.91Å; D153-L157 HydrophobicContact CB-CD1 4.46Å; D153-L157 VanDerWaalsContact CG-CD1 3.49Å; D153-L157 WeakPolarHBondContact O-CD1 3.35Å; D153-L157 PolarHBondContact O-N 3.27Å; D153-L157 WeakPolarHBondContact OD1-CD1 3.31Å; D153-E234 VanDerWaalsContact OD2-OE1 3.11Å; D153-L247 HydrophobicContact CB-CB 4.15Å
154	C	87.5	Confident	86.3	Confident	16 Å²	16	16.3 Å²	16.3	11%	0.108	10%	0.099	C	C	.	.	H	α-helix	trans	-46.6	-31.7	176.5	62.7	0	0	0	0	114.1	Q148 L156 L157 A158	Q148-C154 VanDerWaalsContact OE1-CB 3.24Å; C154-L156 VanDerWaalsContact C-N 3.35Å; C154-L156 PolarHBondContact O-N 2.91Å; C154-L157 PolarHBondContact O-N 3.39Å; C154-A158 WeakPolarHBondContact O-CB 3.38Å; C154-A158 PolarHBondContact O-N 3Å
155	W	91.3	Very high	86.7	Confident	6 Å²	6	14.7 Å²	14.7	2%	0.023	11%	0.108	C	C	.	.	H	α-helix	trans	-59.5	-39.2	174.4	64	-86.9	0	0	0	113.2	D153 V159 Y237 L247 Q252 E254 A255	D153-W155 PolarHBondContact O-N 3.16Å; W155-V159 WeakPolarHBondContact O-CG2 3.35Å; W155-Y237 AromaticContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CZ2-CE1 4.39Å; W155-Y237 HydrophobicContact CZ3-CE1 4.27Å; W155-L247 PolarHBondContact NE1-O 3.28Å; W155-Q252 HydrophobicContact CB-CG 4.49Å; W155-E254 HydrophobicContact CE3-CB 4.29Å; W155-E254 HydrophobicContact CH2-CB 4.22Å; W155-E254 HydrophobicContact CZ3-CB 3.62Å; W155-A255 HydrophobicContact CE3-CB 3.6Å; W155-A255 HydrophobicContact CZ3-CB 3.62Å
156	L	93.6	Very high	86.8	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-72.4	-48.4	174.9	174.9	64.4	0	0	0	110.2	D153 C154 A158 V159 V160 M220 Y237 L247 A255 L259	D153-L156 WeakPolarHBondContact O-CB 3.47Å; D153-L156 PolarHBondContact O-N 2.91Å; C154-L156 VanDerWaalsContact C-N 3.35Å; C154-L156 PolarHBondContact O-N 2.91Å; L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.27Å; L156-V159 PolarHBondContact O-N 3.02Å; L156-V159 VanDerWaalsContact O-N 3.11Å; L156-V160 HydrophobicContact CD1-CG2 3.87Å; L156-V160 HydrophobicContact CG-CG2 4.09Å; L156-V160 WeakPolarHBondContact O-CG2 3.14Å; L156-V160 PolarHBondContact O-N 3.13Å; L156-M220 HydrophobicContact CD2-CE 4.37Å; L156-Y237 HydrophobicContact CD1-CD1 4.05Å; L156-Y237 HydrophobicContact CD1-CE1 3.95Å; L156-Y237 HydrophobicContact CD1-CG 4.41Å; L156-Y237 HydrophobicContact CD2-CD1 3.53Å; L156-Y237 HydrophobicContact CD2-CE1 4.05Å; L156-Y237 HydrophobicContact CD2-CG 4.15Å; L156-Y237 HydrophobicContact CG-CD1 4.4Å; L156-L247 HydrophobicContact CD2-CD1 4.48Å; L156-A255 HydrophobicContact CD1-CB 3.9Å; L156-L259 HydrophobicContact CD1-CD1 4.27Å
157	L	90.6	Very high	86.8	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-43.5	-178.4	-80.3	74.8	0	0	0	111.9	I146 Q148 D153 C154 V159 V160 A161 M220	I146-L157 HydrophobicContact CG2-CB 3.75Å; I146-L157 HydrophobicContact CG2-CD2 3.84Å; I146-L157 HydrophobicContact CG2-CG 3.68Å; Q148-L157 VanDerWaalsContact CA-CD2 3.4Å; Q148-L157 HydrophobicContact CB-CD2 3.55Å; Q148-L157 HydrophobicContact CG-CD2 3.89Å; D153-L157 HydrophobicContact CB-CD1 4.46Å; D153-L157 VanDerWaalsContact CG-CD1 3.49Å; D153-L157 WeakPolarHBondContact O-CD1 3.35Å; D153-L157 PolarHBondContact O-N 3.27Å; D153-L157 WeakPolarHBondContact OD1-CD1 3.31Å; C154-L157 PolarHBondContact O-N 3.39Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 3.46Å; L157-V160 PolarHBondContact O-N 3.15Å; L157-A161 VanDerWaalsContact O-CB 3.28Å; L157-A161 WeakPolarHBondContact O-CB 3.3Å; L157-A161 PolarHBondContact O-N 3.18Å; L157-M220 HydrophobicContact CB-CE 4.5Å; L157-M220 HydrophobicContact CD1-CE 3.33Å; L157-M220 HydrophobicContact CD2-CE 4.39Å; L157-M220 HydrophobicContact CD2-CG 4.3Å; L157-M220 HydrophobicContact CG-CE 3.43Å; L157-M220 VanDerWaalsContact CG-CE 3.43Å; L157-M220 HydrophobicContact CG-CG 4.29Å; L157-M220 HydrophobicContact CG-SD 4.26Å
158	A	87.1	Confident	86.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-42	177.7	0	0	0	0	0	112.7	C154 L156 S162 A314 P338	C154-A158 WeakPolarHBondContact O-CB 3.38Å; C154-A158 PolarHBondContact O-N 3Å; L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.27Å; A158-S162 WeakPolarHBondContact O-CB 3.4Å; A158-S162 PolarHBondContact O-N 3.45Å; A158-S162 PolarHBondContact O-OG 2.76Å; A158-A314 HydrophobicContact CB-CB 3.51Å; A158-P338 HydrophobicContact CB-CB 4.15Å; A158-P338 HydrophobicContact CB-CG 4Å
159	V	92.7	Very high	86.7	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-75	-43.5	179.1	-177.9	0	0	0	0	111.3	W155 L156 L157 A161 S162 I163 Q252 A255 M256 L259	W155-V159 WeakPolarHBondContact O-CG2 3.35Å; L156-V159 PolarHBondContact O-N 3.02Å; L156-V159 VanDerWaalsContact O-N 3.11Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 3.46Å; V159-A161 PolarHBondContact O-N 3.33Å; V159-S162 CarbonylContact O-C 3.58Å; V159-S162 WeakPolarHBondContact O-CA 3.36Å; V159-S162 WeakPolarHBondContact O-CB 3.48Å; V159-S162 PolarHBondContact O-N 3.25Å; V159-I163 HydrophobicContact CG1-CG2 4.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.31Å; V159-I163 PolarHBondContact O-N 2.81Å; V159-Q252 HydrophobicContact CG2-CB 3.86Å; V159-Q252 HydrophobicContact CG2-CG 4.37Å; V159-A255 HydrophobicContact CB-CB 3.81Å; V159-A255 HydrophobicContact CG1-CB 4.21Å; V159-A255 HydrophobicContact CG2-CB 3.76Å; V159-M256 HydrophobicContact CB-CG 4.36Å; V159-M256 HydrophobicContact CG1-CB 4.32Å; V159-M256 HydrophobicContact CG1-CG 3.7Å; V159-M256 HydrophobicContact CG2-CE 4.11Å; V159-M256 HydrophobicContact CG2-CG 3.64Å; V159-L259 HydrophobicContact CB-CD1 4.17Å; V159-L259 HydrophobicContact CG1-CD1 3.63Å
160	V	92.5	Very high	86.8	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-41.8	176.2	177.6	0	0	0	0	110.5	I146 L156 L157 S162 I163 S164 W229 L233 L259	I146-V160 HydrophobicContact CD1-CB 4.18Å; I146-V160 HydrophobicContact CD1-CG1 3.7Å; I146-V160 HydrophobicContact CG1-CG1 4.39Å; L156-V160 HydrophobicContact CD1-CG2 3.87Å; L156-V160 HydrophobicContact CG-CG2 4.09Å; L156-V160 WeakPolarHBondContact O-CG2 3.14Å; L156-V160 PolarHBondContact O-N 3.13Å; L157-V160 PolarHBondContact O-N 3.15Å; V160-S162 VanDerWaalsContact C-N 3.32Å; V160-S162 PolarHBondContact O-N 2.91Å; V160-I163 VanDerWaalsContact O-CG1 3.3Å; V160-I163 WeakPolarHBondContact O-CG1 3.23Å; V160-I163 PolarHBondContact O-N 2.82Å; V160-S164 PolarHBondContact O-N 3.44Å; V160-S164 VanDerWaalsContact O-N 3.07Å; V160-W229 HydrophobicContact CG1-CH2 3.69Å; V160-W229 HydrophobicContact CG1-CZ3 3.75Å; V160-L233 HydrophobicContact CG1-CD1 4.22Å; V160-L233 HydrophobicContact CG1-CD2 4.49Å; V160-L233 HydrophobicContact CG2-CD2 3.77Å; V160-L259 HydrophobicContact CG2-CD1 3.8Å
161	A	86.6	Confident	87	Confident	4 Å²	4	20.3 Å²	20.3	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-69.1	-29.9	175.8	0	0	0	0	0	113	R143 I146 L157 V159 S164	R143-A161 HydrophobicContact CB-CB 4.31Å; I146-A161 HydrophobicContact CD1-CB 3.57Å; L157-A161 VanDerWaalsContact O-CB 3.28Å; L157-A161 WeakPolarHBondContact O-CB 3.3Å; L157-A161 PolarHBondContact O-N 3.18Å; V159-A161 PolarHBondContact O-N 3.33Å; A161-S164 PolarHBondContact O-OG 2.77Å
162	S	85.3	Confident	87.1	Confident	18 Å²	18	20.8 Å²	20.8	13%	0.126	13%	0.127	C	C	.	.	H	α-helix	trans	-71.4	-47.2	174.8	-59.2	0	0	0	0	111.3	A158 V159 V160 S164 G165 Y166 S316	A158-S162 WeakPolarHBondContact O-CB 3.4Å; A158-S162 PolarHBondContact O-N 3.45Å; A158-S162 PolarHBondContact O-OG 2.76Å; V159-S162 CarbonylContact O-C 3.58Å; V159-S162 WeakPolarHBondContact O-CA 3.36Å; V159-S162 WeakPolarHBondContact O-CB 3.48Å; V159-S162 PolarHBondContact O-N 3.25Å; V160-S162 VanDerWaalsContact C-N 3.32Å; V160-S162 PolarHBondContact O-N 2.91Å; S162-S164 VanDerWaalsContact C-N 3.33Å; S162-S164 PolarHBondContact O-N 2.99Å; S162-G165 PolarHBondContact O-N 3.44Å; S162-Y166 WeakPolarHBondContact O-CD2 3.36Å; S162-Y166 WeakPolarHBondContact O-CE2 3.47Å; S162-S316 WeakPolarHBondContact OG-CB 3.49Å; S162-S316 PolarHBondContact OG-OG 3.03Å
163	I	87.9	Confident	87.5	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70.9	-26.8	-178.2	63.5	154.6	0	0	0	112.8	V159 V160 G165 Y166 F170 V173 L259 T260 L291	V159-I163 HydrophobicContact CG1-CG2 4.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.31Å; V159-I163 PolarHBondContact O-N 2.81Å; V160-I163 VanDerWaalsContact O-CG1 3.3Å; V160-I163 WeakPolarHBondContact O-CG1 3.23Å; V160-I163 PolarHBondContact O-N 2.82Å; I163-G165 PolarHBondContact O-N 2.98Å; I163-Y166 CarbonylContact O-C 3.59Å; I163-Y166 WeakPolarHBondContact O-CA 3.38Å; I163-Y166 PolarHBondContact O-N 3.49Å; I163-F170 HydrophobicContact CD1-CD2 4.34Å; I163-F170 HydrophobicContact CG1-CD2 4.46Å; I163-V173 HydrophobicContact CD1-CB 4.42Å; I163-V173 HydrophobicContact CD1-CG2 4.14Å; I163-L259 HydrophobicContact CD1-CB 4.12Å; I163-L259 HydrophobicContact CD1-CD1 4.12Å; I163-L259 HydrophobicContact CD1-CD2 4.28Å; I163-L259 HydrophobicContact CD1-CG 4.42Å; I163-T260 HydrophobicContact CG2-CG2 4.37Å; I163-L291 HydrophobicContact CG2-CD1 3.71Å
164	S	84.9	Confident	87.8	Confident	12 Å²	12	20 Å²	20	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-24.4	176.6	70.5	0	0	0	0	112.9	R143 V160 A161 S162 Y166	R143-S164 PolarHBondContact N-OG 3.14Å; V160-S164 PolarHBondContact O-N 3.44Å; V160-S164 VanDerWaalsContact O-N 3.07Å; A161-S164 PolarHBondContact O-OG 2.77Å; S162-S164 VanDerWaalsContact C-N 3.33Å; S162-S164 PolarHBondContact O-N 2.99Å; S164-Y166 PolarHBondContact O-N 3.44Å
165	G	78.5	Confident	88	Confident	56 Å²	56	19.6 Å²	19.6	58%	0.577	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.9	169.8	0	0	0	0	0	114.8	S162 I163	S162-G165 PolarHBondContact O-N 3.44Å; I163-G165 PolarHBondContact O-N 2.98Å
166	Y	79.6	Confident	87.8	Confident	68 Å²	68	24.8 Å²	24.8	27%	0.267	14%	0.139	S	C	.	.			trans	-124.5	84.7	-176.4	-59.3	-64.7	0	0	0	110.9	S162 I163 S164 Q168 L169 F170 L291 F407	S162-Y166 WeakPolarHBondContact O-CD2 3.36Å; S162-Y166 WeakPolarHBondContact O-CE2 3.47Å; I163-Y166 CarbonylContact O-C 3.59Å; I163-Y166 WeakPolarHBondContact O-CA 3.38Å; I163-Y166 PolarHBondContact O-N 3.49Å; S164-Y166 PolarHBondContact O-N 3.44Å; Y166-Q168 PolarHBondContact O-N 3.09Å; Y166-L169 PolarHBondContact O-N 3.4Å; Y166-F170 PolarHBondContact O-N 3.26Å; Y166-L291 HydrophobicContact CD2-CD2 3.83Å; Y166-L291 HydrophobicContact CE2-CD2 3.57Å; Y166-F407 HydrophobicContact CD1-CE1 4.49Å; Y166-F407 AromaticContact CD1-CE2 3.97Å; Y166-F407 HydrophobicContact CD1-CE2 3.97Å; Y166-F407 AromaticContact CD1-CZ 3.4Å; Y166-F407 HydrophobicContact CD1-CZ 3.4Å; Y166-F407 VanDerWaalsContact CD1-CZ 3.4Å; Y166-F407 HydrophobicContact CE1-CE1 4.46Å; Y166-F407 AromaticContact CE1-CZ 3.68Å; Y166-F407 HydrophobicContact CE1-CZ 3.68Å; Y166-F407 HydrophobicContact CG-CZ 4.23Å
167	P	82.7	Confident	87.5	Confident	67 Å²	67	29.8 Å²	29.8	44%	0.435	17%	0.166	S	C	.	.	H	α-helix	trans	-51.6	-34.5	-172.9	-30	35.9	0	0	0	114.9	L169 D171	P167-L169 VanDerWaalsContact C-N 3.33Å; P167-L169 PolarHBondContact O-N 2.85Å; P167-D171 WeakPolarHBondContact O-CB 3.33Å; P167-D171 PolarHBondContact O-N 3.36Å
168	Q	80.4	Confident	87.6	Confident	94 Å²	94	30.5 Å²	30.5	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-65.5	-33.3	179.6	-63.1	83.7	-7.3	0	0	113.4	Y166 Q172 L401	Y166-Q168 PolarHBondContact O-N 3.09Å; Q168-Q172 WeakPolarHBondContact O-CG 3.08Å; Q168-Q172 PolarHBondContact O-NE2 3.2Å; Q168-Q172 VanDerWaalsContact O-NE2 3.14Å; Q168-L401 HydrophobicContact CB-CD2 4.05Å
169	L	84.3	Confident	87.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-85.4	-45.2	175.1	-64.6	176.4	0	0	0	110.1	Y166 P167 D171 Q172 V173 T260 L291 L396	Y166-L169 PolarHBondContact O-N 3.4Å; P167-L169 VanDerWaalsContact C-N 3.33Å; P167-L169 PolarHBondContact O-N 2.85Å; L169-D171 VanDerWaalsContact C-N 3.33Å; L169-D171 PolarHBondContact O-N 3.27Å; L169-Q172 WeakPolarHBondContact O-CB 3.46Å; L169-Q172 PolarHBondContact O-N 2.97Å; L169-Q172 VanDerWaalsContact O-N 3.09Å; L169-V173 PolarHBondContact O-N 2.93Å; L169-T260 HydrophobicContact CD1-CG2 4.34Å; L169-L291 HydrophobicContact CD1-CD1 4.45Å; L169-L291 HydrophobicContact CD1-CD2 4.4Å; L169-L396 HydrophobicContact CD1-CD1 4.07Å; L169-L396 HydrophobicContact CD1-CD2 4.09Å; L169-L396 HydrophobicContact CD2-CD1 4.14Å; L169-L396 HydrophobicContact CD2-CD2 4.08Å
170	F	89.8	Confident	87.7	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-56.2	-46.6	-179.4	-173.4	-99.5	0	0	0	112.5	F137 A141 I163 Y166 Q172 V173 V174 W229	F137-F170 HydrophobicContact CE1-CE1 4Å; F137-F170 AromaticContact CE1-CZ 3.99Å; F137-F170 HydrophobicContact CE1-CZ 3.99Å; F137-F170 AromaticContact CZ-CE1 3.82Å; F137-F170 HydrophobicContact CZ-CE1 3.82Å; F137-F170 HydrophobicContact CZ-CZ 4.12Å; A141-F170 HydrophobicContact CB-CD1 4Å; A141-F170 HydrophobicContact CB-CE1 3.28Å; A141-F170 HydrophobicContact CB-CE2 3.98Å; A141-F170 HydrophobicContact CB-CZ 3.27Å; I163-F170 HydrophobicContact CD1-CD2 4.34Å; I163-F170 HydrophobicContact CG1-CD2 4.46Å; Y166-F170 PolarHBondContact O-N 3.26Å; F170-Q172 PolarHBondContact O-N 3.15Å; F170-V173 PolarHBondContact O-N 2.82Å; F170-V174 HydrophobicContact CD1-CB 4.31Å; F170-V174 HydrophobicContact CD2-CG2 4.29Å; F170-V174 HydrophobicContact CE1-CB 3.73Å; F170-V174 HydrophobicContact CE1-CG1 4.12Å; F170-V174 HydrophobicContact CE1-CG2 4.11Å; F170-V174 HydrophobicContact CE2-CB 4.25Å; F170-V174 HydrophobicContact CE2-CG2 3.69Å; F170-V174 HydrophobicContact CZ-CB 3.7Å; F170-V174 HydrophobicContact CZ-CG1 4.01Å; F170-V174 HydrophobicContact CZ-CG2 3.59Å; F170-V174 PolarHBondContact O-N 3.06Å; F170-W229 HydrophobicContact CE2-CE3 4.09Å; F170-W229 AromaticContact CE2-CH2 3.51Å; F170-W229 HydrophobicContact CE2-CH2 3.51Å; F170-W229 HydrophobicContact CE2-CZ2 4.2Å; F170-W229 AromaticContact CE2-CZ3 3.45Å; F170-W229 HydrophobicContact CE2-CZ3 3.45Å; F170-W229 VanDerWaalsContact CE2-CZ3 3.45Å; F170-W229 HydrophobicContact CZ-CD2 4.18Å; F170-W229 AromaticContact CZ-CE3 3.84Å; F170-W229 HydrophobicContact CZ-CE3 3.84Å; F170-W229 AromaticContact CZ-CH2 3.88Å; F170-W229 HydrophobicContact CZ-CH2 3.88Å; F170-W229 HydrophobicContact CZ-CZ2 4.2Å; F170-W229 AromaticContact CZ-CZ3 3.68Å; F170-W229 HydrophobicContact CZ-CZ3 3.68Å
171	D	90.2	Very high	87.6	Confident	61 Å²	61	40.6 Å²	40.6	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-18	-177.4	-66.8	2.3	0	0	0	112.8	P167 L169 K176	P167-D171 WeakPolarHBondContact O-CB 3.33Å; P167-D171 PolarHBondContact O-N 3.36Å; L169-D171 VanDerWaalsContact C-N 3.33Å; L169-D171 PolarHBondContact O-N 3.27Å; D171-K176 WeakPolarHBondContact OD1-CE 3.26Å; D171-K176 IonicContact OD1-NZ 3.14Å; D171-K176 PolarHBondContact OD1-NZ 3.01Å; D171-K176 IonicContact OD2-NZ 2.85Å; D171-K176 PolarHBondContact OD2-NZ 3.42Å
172	Q	89	Confident	87.6	Confident	11 Å²	11	42.7 Å²	42.7	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-73.9	-39.5	172.3	-67.8	177.2	24	0	0	111.3	F75 Q168 L169 F170 R192 W199 S400	F75-Q172 HydrophobicContact CE1-CG 4.34Å; F75-Q172 HydrophobicContact CZ-CB 4.19Å; F75-Q172 HydrophobicContact CZ-CG 4.1Å; Q168-Q172 WeakPolarHBondContact O-CG 3.08Å; Q168-Q172 PolarHBondContact O-NE2 3.2Å; Q168-Q172 VanDerWaalsContact O-NE2 3.14Å; L169-Q172 WeakPolarHBondContact O-CB 3.46Å; L169-Q172 PolarHBondContact O-N 2.97Å; L169-Q172 VanDerWaalsContact O-N 3.09Å; F170-Q172 PolarHBondContact O-N 3.15Å; Q172-R192 VanDerWaalsContact O-CB 3.27Å; Q172-R192 WeakPolarHBondContact O-CB 3.34Å; Q172-R192 WeakPolarHBondContact O-CD 3.33Å; Q172-W199 HydrophobicContact CB-CH2 4.43Å; Q172-S400 PolarHBondContact NE2-O 3.01Å; Q172-S400 PolarHBondContact OE1-O 3.42Å
173	V	94.3	Very high	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-80.8	-42.8	-179.7	176.1	0	0	0	0	111.5	I163 L169 F170 P175 F191 R192 F193 W199 L233 L259	I163-V173 HydrophobicContact CD1-CB 4.42Å; I163-V173 HydrophobicContact CD1-CG2 4.14Å; L169-V173 PolarHBondContact O-N 2.93Å; F170-V173 PolarHBondContact O-N 2.82Å; V173-P175 WeakPolarHBondContact O-CD 3.49Å; V173-F191 CarbonylContact O-C 3.51Å; V173-F191 WeakPolarHBondContact O-CA 3.42Å; V173-R192 WeakPolarHBondContact CA-O 3.45Å; V173-R192 WeakPolarHBondContact CG1-O 3.4Å; V173-R192 PolarHBondContact O-N 3.42Å; V173-F193 HydrophobicContact CG1-CE1 4.34Å; V173-W199 HydrophobicContact CG2-CH2 4.2Å; V173-W199 HydrophobicContact CG2-CZ3 4.17Å; V173-L233 HydrophobicContact CG1-CD1 4Å; V173-L259 HydrophobicContact CG1-CD2 3.65Å; V173-L259 HydrophobicContact CG2-CB 4.27Å; V173-L259 HydrophobicContact CG2-CD2 4.06Å; V173-L259 VanDerWaalsContact CG2-O 3.23Å; V173-L259 WeakPolarHBondContact CG2-O 3.48Å
174	V	95.1	Very high	87.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-118	92.9	-172.3	-169.2	0	0	0	0	110.1	F136 F137 F170 K176 F191 W229 L233	F136-V174 HydrophobicContact CE1-CG1 3.74Å; F136-V174 HydrophobicContact CZ-CG1 3.87Å; F137-V174 HydrophobicContact CZ-CG1 3.73Å; F170-V174 HydrophobicContact CD1-CB 4.31Å; F170-V174 HydrophobicContact CD2-CG2 4.29Å; F170-V174 HydrophobicContact CE1-CB 3.73Å; F170-V174 HydrophobicContact CE1-CG1 4.12Å; F170-V174 HydrophobicContact CE1-CG2 4.11Å; F170-V174 HydrophobicContact CE2-CB 4.25Å; F170-V174 HydrophobicContact CE2-CG2 3.69Å; F170-V174 HydrophobicContact CZ-CB 3.7Å; F170-V174 HydrophobicContact CZ-CG1 4.01Å; F170-V174 HydrophobicContact CZ-CG2 3.59Å; F170-V174 PolarHBondContact O-N 3.06Å; V174-K176 PolarHBondContact O-N 3.46Å; V174-F191 HydrophobicContact CB-CD1 4.48Å; V174-F191 HydrophobicContact CB-CE1 4.45Å; V174-F191 HydrophobicContact CG1-CD1 4.3Å; V174-F191 HydrophobicContact CG1-CE1 3.86Å; V174-F191 HydrophobicContact CG2-CD1 4.03Å; V174-F191 HydrophobicContact CG2-CE1 4.06Å; V174-W229 HydrophobicContact CG2-CE3 4.34Å; V174-W229 HydrophobicContact CG2-CZ3 4.41Å; V174-L233 HydrophobicContact CG2-CD1 3.74Å
175	P	92	Very high	87.9	Confident	7 Å²	7	53.9 Å²	53.9	5%	0.045	30%	0.295	C	S	.	.			trans	-55.1	127.7	170.6	-26.2	36.1	0	0	0	110.7	V173 D177 Q178 R190	V173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-D177 VanDerWaalsContact C-N 3.31Å; P175-D177 WeakPolarHBondContact CB-OD1 3.49Å; P175-D177 PolarHBondContact O-N 3.01Å; P175-Q178 WeakPolarHBondContact O-CG 3.32Å; P175-Q178 PolarHBondContact O-NE2 3.08Å; P175-R190 HydrophobicContact CB-CG 4.45Å; P175-R190 HydrophobicContact CG-CG 4.15Å
176	K	87.9	Confident	88.7	Confident	115 Å²	115	51.7 Å²	51.7	50%	0.5	27%	0.27	S	S	.	.	S	Bend	trans	-77.4	-16.5	-175.2	-73.4	176.5	167.6	154.1	0	114.3	F137 D171 V174 Q178	F137-K176 HydrophobicContact CE2-CB 4.47Å; F137-K176 HydrophobicContact CE2-CG 4.16Å; D171-K176 WeakPolarHBondContact OD1-CE 3.26Å; D171-K176 IonicContact OD1-NZ 3.14Å; D171-K176 PolarHBondContact OD1-NZ 3.01Å; D171-K176 IonicContact OD2-NZ 2.85Å; D171-K176 PolarHBondContact OD2-NZ 3.42Å; V174-K176 PolarHBondContact O-N 3.46Å; K176-Q178 VanDerWaalsContact C-N 3.27Å; K176-Q178 PolarHBondContact O-N 3.42Å; K176-Q178 VanDerWaalsContact O-N 3.08Å
177	D	87	Confident	89.5	Confident	106 Å²	106	48.5 Å²	48.5	57%	0.567	26%	0.258	S	S	*	.			trans	-86.1	57.1	-174.6	63.1	-30.2	0	0	0	112.2	P175 R190	P175-D177 VanDerWaalsContact C-N 3.31Å; P175-D177 WeakPolarHBondContact CB-OD1 3.49Å; P175-D177 PolarHBondContact O-N 3.01Å; D177-R190 IonicContact OD1-CZ 2.81Å; D177-R190 IonicContact OD1-NE 2.81Å; D177-R190 IonicContact OD1-NH2 3.04Å; D177-R190 PolarHBondContact OD1-NH2 2.91Å; D177-R190 IonicContact OD2-CZ 3.25Å; D177-R190 IonicContact OD2-NH2 2.7Å; D177-R190 PolarHBondContact OD2-NH2 3.25Å
178	Q	91.6	Very high	90.1	Very high	17 Å²	17	45.8 Å²	45.8	8%	0.079	24%	0.24	C	C	.	.			trans	-130.8	132.8	-175.8	-57.5	-168.9	80.7	0	0	111.6	F136 P175 K176 R190	F136-Q178 WeakPolarHBondContact CB-O 3.2Å; F136-Q178 HydrophobicContact CD1-CB 3.94Å; F136-Q178 HydrophobicContact CD2-CB 4.18Å; F136-Q178 HydrophobicContact CE1-CB 4.06Å; F136-Q178 HydrophobicContact CE1-CG 4.46Å; F136-Q178 HydrophobicContact CE2-CB 4.3Å; F136-Q178 HydrophobicContact CG-CB 4.01Å; F136-Q178 HydrophobicContact CZ-CB 4.25Å; F136-Q178 VanDerWaalsContact CZ-NE2 3.31Å; P175-Q178 WeakPolarHBondContact O-CG 3.32Å; P175-Q178 PolarHBondContact O-NE2 3.08Å; K176-Q178 VanDerWaalsContact C-N 3.27Å; K176-Q178 PolarHBondContact O-N 3.42Å; K176-Q178 VanDerWaalsContact O-N 3.08Å; Q178-R190 PolarHBondContact NE2-O 3.08Å; Q178-R190 PolarHBondContact OE1-O 3.04Å
179	E	88.6	Confident	90.9	Very high	119 Å²	119	41.4 Å²	41.4	56%	0.556	22%	0.219	S	C	*	.			trans	-123.3	139.4	-179.2	-63.5	-174.8	167.6	0	0	110.7
180	L	94	Very high	91.4	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-101.4	5.1	179.6	-59.3	179.9	0	0	0	113.5	P127 K135 F136 Y185 V189 D206 F228 L232	P127-L180 HydrophobicContact CB-CD1 3.9Å; P127-L180 HydrophobicContact CG-CD1 3.94Å; P127-L180 HydrophobicContact CG-CD2 4.4Å; K135-L180 WeakPolarHBondContact O-CD1 3.21Å; F136-L180 HydrophobicContact CB-CD1 4.3Å; F136-L180 HydrophobicContact CB-CG 4.14Å; F136-L180 HydrophobicContact CD2-CD1 4.41Å; F136-L180 HydrophobicContact CD2-CD2 4.19Å; F136-L180 HydrophobicContact CD2-CG 4.31Å; L180-Y185 WeakPolarHBondContact O-CE2 3.42Å; L180-V189 HydrophobicContact CD2-CG2 4Å; L180-D206 HydrophobicContact CD2-CB 4.43Å; L180-F228 HydrophobicContact CD1-CB 3.83Å; L180-F228 HydrophobicContact CD1-CD2 4.43Å; L180-F228 HydrophobicContact CD1-CG 4.41Å; L180-L232 HydrophobicContact CD1-CD1 4.19Å; L180-L232 HydrophobicContact CD2-CD1 3.85Å
181	K	89.6	Confident	91.7	Very high	90 Å²	90	41.8 Å²	41.8	39%	0.391	22%	0.221	S	C	.	.	S	Bend	trans	-163.7	167.3	177.6	64.3	-172.9	179.5	-162.3	0	109.8	A134	A134-K181 PolarHBondContact O-NZ 3.22Å
182	G	87.7	Confident	92	Very high	47 Å²	47	40.4 Å²	40.4	49%	0.485	21%	0.211	S	C	.	.	S	Bend	trans	107.7	-177.1	176.9	0	0	0	0	0	113.2	E184 Y185	G182-E184 VanDerWaalsContact C-N 3.26Å; G182-E184 PolarHBondContact O-N 3.29Å; G182-Y185 WeakPolarHBondContact O-CB 3.33Å; G182-Y185 PolarHBondContact O-N 2.97Å
183	P	84.3	Confident	92.3	Very high	118 Å²	118	39.9 Å²	39.9	77%	0.766	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-26.3	-174.7	26.9	-33.8	0	0	0	113.3
184	E	85.8	Confident	92.2	Very high	112 Å²	112	40 Å²	40	52%	0.523	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.8	-178.9	-58	-57.8	110.8	0	0	113.1	K94 G182 V186	K94-E184 WeakPolarHBondContact CE-O 3.45Å; K94-E184 IonicContact NZ-OE2 3.76Å; K94-E184 PolarHBondContact NZ-OE2 3.12Å; G182-E184 VanDerWaalsContact C-N 3.26Å; G182-E184 PolarHBondContact O-N 3.29Å; E184-V186 PolarHBondContact O-N 3.03Å
185	Y	93.9	Very high	92	Very high	35 Å²	35	40.9 Å²	40.9	14%	0.137	21%	0.212	C	C	.	.			trans	-71	125.3	-176.3	172.4	-106.6	0	0	0	112.3	L99 R126 H128 L180 G182 D206	L99-Y185 HydrophobicContact CD1-CE1 4.14Å; L99-Y185 HydrophobicContact CD2-CD1 3.81Å; L99-Y185 HydrophobicContact CD2-CE1 3.42Å; L99-Y185 VanDerWaalsContact CD2-CE1 3.42Å; L99-Y185 HydrophobicContact CG-CE1 4.45Å; R126-Y185 WeakPolarHBondContact CD-OH 3.09Å; H128-Y185 AromaticContact CE1-CE1 3.84Å; H128-Y185 AromaticContact CE1-CZ 3.84Å; H128-Y185 PolarHBondContact CE1-OH 3.41Å; H128-Y185 VanDerWaalsContact CE1-OH 3.22Å; H128-Y185 AromaticContact ND1-CZ 3.94Å; H128-Y185 PolarHBondContact ND1-OH 3.38Å; L180-Y185 WeakPolarHBondContact O-CE2 3.42Å; G182-Y185 WeakPolarHBondContact O-CB 3.33Å; G182-Y185 PolarHBondContact O-N 2.97Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.21Å; Y185-D206 VanDerWaalsContact CZ-OD2 3.25Å; Y185-D206 VanDerWaalsContact OH-CG 3.26Å; Y185-D206 PolarHBondContact OH-OD1 2.72Å; Y185-D206 PolarHBondContact OH-OD2 2.87Å
186	V	95.6	Very high	91.8	Very high	11 Å²	11	41.8 Å²	41.8	7%	0.067	22%	0.215	C	C	.	.			trans	-130.4	15.5	175.7	-67.8	0	0	0	0	112.6	V90 L93 K94 W100 E184 V188	V90-V186 HydrophobicContact CB-CG2 4.36Å; V90-V186 HydrophobicContact CG1-CG2 4.07Å; V90-V186 HydrophobicContact CG2-CG2 4.01Å; L93-V186 HydrophobicContact CB-CB 3.93Å; L93-V186 HydrophobicContact CB-CG1 3.92Å; L93-V186 HydrophobicContact CB-CG2 4.44Å; L93-V186 HydrophobicContact CD1-CB 4.15Å; L93-V186 HydrophobicContact CD1-CG2 4.09Å; K94-V186 HydrophobicContact CG-CG1 3.56Å; W100-V186 PolarHBondContact N-O 3.18Å; E184-V186 PolarHBondContact O-N 3.03Å; V186-V188 VanDerWaalsContact C-N 3.27Å; V186-V188 HydrophobicContact CG2-CB 4.3Å; V186-V188 HydrophobicContact CG2-CG2 3.93Å; V186-V188 PolarHBondContact O-N 3.13Å
187	G	95.9	Very high	91.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	66.7	22.5	179.4	0	0	0	0	0	114.8	D205 D206	G187-D205 VanDerWaalsContact O-CA 3.23Å; G187-D205 WeakPolarHBondContact O-CA 3.36Å; G187-D206 PolarHBondContact O-N 3.44Å
188	V	95.7	Very high	91.4	Very high	10 Å²	10	33.7 Å²	33.7	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.4	174.1	-174	0	0	0	0	109.2	Y86 L89 L93 W100 V186 L203	Y86-V188 HydrophobicContact CD2-CG1 4.12Å; Y86-V188 HydrophobicContact CE2-CB 4.31Å; Y86-V188 HydrophobicContact CE2-CG1 3.8Å; L89-V188 HydrophobicContact CD2-CG1 4.27Å; L89-V188 HydrophobicContact CD2-CG2 4.22Å; L93-V188 HydrophobicContact CD1-CG2 3.51Å; W100-V188 HydrophobicContact CB-CG2 3.34Å; W100-V188 HydrophobicContact CD2-CG2 3.84Å; W100-V188 HydrophobicContact CE3-CB 4.2Å; W100-V188 HydrophobicContact CE3-CG1 3.94Å; W100-V188 HydrophobicContact CE3-CG2 3.75Å; W100-V188 HydrophobicContact CG-CG2 3.7Å; W100-V188 HydrophobicContact CZ3-CG1 4.2Å; V186-V188 VanDerWaalsContact C-N 3.27Å; V186-V188 HydrophobicContact CG2-CB 4.3Å; V186-V188 HydrophobicContact CG2-CG2 3.93Å; V186-V188 PolarHBondContact O-N 3.13Å; V188-L203 HydrophobicContact CG1-CB 4.38Å; V188-L203 HydrophobicContact CG1-CD2 4.44Å
189	V	96	Very high	91.3	Very high	2 Å²	2	33 Å²	33	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.2	175.5	-177.2	0	0	0	0	108.2	F136 L180 F191 L203 I204 D206 L232	F136-V189 HydrophobicContact CE2-CG1 3.72Å; F136-V189 HydrophobicContact CZ-CG1 4.39Å; L180-V189 HydrophobicContact CD2-CG2 4Å; V189-F191 HydrophobicContact CG1-CD2 4.25Å; V189-F191 HydrophobicContact CG1-CE2 3.46Å; V189-F191 VanDerWaalsContact CG1-CE2 3.46Å; V189-F191 HydrophobicContact CG1-CZ 3.97Å; V189-L203 WeakPolarHBondContact O-CA 3.45Å; V189-I204 HydrophobicContact CB-CD1 4.48Å; V189-I204 HydrophobicContact CB-CG1 4.05Å; V189-I204 PolarHBondContact N-O 3.37Å; V189-I204 PolarHBondContact O-N 2.7Å; V189-D206 HydrophobicContact CG2-CB 3.95Å; V189-L232 HydrophobicContact CG1-CB 4.37Å; V189-L232 HydrophobicContact CG1-CD1 4.27Å; V189-L232 HydrophobicContact CG2-CD1 4.2Å
190	R	95.3	Very high	91.4	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.1	-177.2	63.6	176.5	-178.3	179.5	-1.9	112.3	P175 D177 Q178 E201 V202 L203	P175-R190 HydrophobicContact CB-CG 4.45Å; P175-R190 HydrophobicContact CG-CG 4.15Å; D177-R190 IonicContact OD1-CZ 2.81Å; D177-R190 IonicContact OD1-NE 2.81Å; D177-R190 IonicContact OD1-NH2 3.04Å; D177-R190 PolarHBondContact OD1-NH2 2.91Å; D177-R190 IonicContact OD2-CZ 3.25Å; D177-R190 IonicContact OD2-NH2 2.7Å; D177-R190 PolarHBondContact OD2-NH2 3.25Å; Q178-R190 PolarHBondContact NE2-O 3.08Å; Q178-R190 PolarHBondContact OE1-O 3.04Å; R190-E201 HydrophobicContact CB-CG 4.21Å; R190-E201 IonicContact NH1-OE1 2.59Å; R190-E201 IonicContact NH1-OE2 3.18Å; R190-V202 WeakPolarHBondContact CA-O 3.4Å; R190-L203 HydrophobicContact CB-CD2 3.55Å
191	F	96.7	Very high	91.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	164.6	171.8	-66.3	-86	0	0	0	109.4	F136 V173 V174 V189 F193 E201 V202 I204 L232 L233 A236	F136-F191 HydrophobicContact CE2-CZ 4.05Å; F136-F191 HydrophobicContact CZ-CE1 4.1Å; F136-F191 AromaticContact CZ-CZ 3.89Å; F136-F191 HydrophobicContact CZ-CZ 3.89Å; V173-F191 CarbonylContact O-C 3.51Å; V173-F191 WeakPolarHBondContact O-CA 3.42Å; V174-F191 HydrophobicContact CB-CD1 4.48Å; V174-F191 HydrophobicContact CB-CE1 4.45Å; V174-F191 HydrophobicContact CG1-CD1 4.3Å; V174-F191 HydrophobicContact CG1-CE1 3.86Å; V174-F191 HydrophobicContact CG2-CD1 4.03Å; V174-F191 HydrophobicContact CG2-CE1 4.06Å; V189-F191 HydrophobicContact CG1-CD2 4.25Å; V189-F191 HydrophobicContact CG1-CE2 3.46Å; V189-F191 VanDerWaalsContact CG1-CE2 3.46Å; V189-F191 HydrophobicContact CG1-CZ 3.97Å; F191-F193 HydrophobicContact CB-CE2 3.68Å; F191-F193 HydrophobicContact CB-CZ 3.83Å; F191-E201 CarbonylContact O-C 3.58Å; F191-E201 WeakPolarHBondContact O-CA 3.43Å; F191-V202 PolarHBondContact N-O 3.44Å; F191-V202 PolarHBondContact O-N 2.93Å; F191-I204 HydrophobicContact CD2-CD1 4.47Å; F191-I204 HydrophobicContact CE2-CD1 4.13Å; F191-L232 HydrophobicContact CE2-CB 3.78Å; F191-L232 VanDerWaalsContact CE2-O 3.3Å; F191-L232 WeakPolarHBondContact CE2-O 3.24Å; F191-L232 HydrophobicContact CZ-CB 3.74Å; F191-L233 HydrophobicContact CD1-CB 4Å; F191-L233 HydrophobicContact CD1-CD1 4.23Å; F191-L233 HydrophobicContact CD1-CG 4.1Å; F191-L233 HydrophobicContact CE1-CB 3.6Å; F191-L233 HydrophobicContact CE1-CD1 4.29Å; F191-L233 HydrophobicContact CE1-CG 4.17Å; F191-L233 HydrophobicContact CZ-CB 3.94Å; F191-L233 VanDerWaalsContact CZ-N 3.29Å; F191-A236 HydrophobicContact CB-CB 4.04Å; F191-A236 HydrophobicContact CD2-CB 3.45Å; F191-A236 VanDerWaalsContact CD2-CB 3.45Å; F191-A236 HydrophobicContact CE2-CB 4.23Å; F191-A236 HydrophobicContact CG-CB 4.01Å
192	R	95.4	Very high	91.6	Very high	32 Å²	32	24.7 Å²	24.7	12%	0.121	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.4	178.9	-66.4	159.7	177	178.1	2.5	109.4	M79 Q172 V173 W199 V200 E201	M79-R192 HydrophobicContact SD-CB 4.41Å; M79-R192 WeakPolarHBondContact SD-CD 3.16Å; M79-R192 HydrophobicContact SD-CG 3.65Å; M79-R192 PolarHBondContact SD-NE 3.33Å; Q172-R192 VanDerWaalsContact O-CB 3.27Å; Q172-R192 WeakPolarHBondContact O-CB 3.34Å; Q172-R192 WeakPolarHBondContact O-CD 3.33Å; V173-R192 WeakPolarHBondContact CA-O 3.45Å; V173-R192 WeakPolarHBondContact CG1-O 3.4Å; V173-R192 PolarHBondContact O-N 3.42Å; R192-W199 HydrophobicContact CB-CE3 4.14Å; R192-W199 HydrophobicContact CB-CZ3 4.36Å; R192-V200 VanDerWaalsContact CA-O 3.28Å; R192-V200 WeakPolarHBondContact CA-O 3.43Å; R192-E201 HydrophobicContact CG-CB 4.17Å; R192-E201 HydrophobicContact CG-CG 4.09Å; R192-E201 IonicContact CZ-OE2 2.97Å; R192-E201 IonicContact NE-OE2 3.96Å; R192-E201 PolarHBondContact NE-OE2 3.41Å; R192-E201 IonicContact NH2-OE2 2.7Å; R192-E201 PolarHBondContact NH2-OE2 3.03Å
193	F	95.1	Very high	92	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.9	177.9	-57	-77.2	0	0	0	108.7	V173 F191 R195 W199 V200 V202 L233 A236 Y237 L240 D258 L259	V173-F193 HydrophobicContact CG1-CE1 4.34Å; F191-F193 HydrophobicContact CB-CE2 3.68Å; F191-F193 HydrophobicContact CB-CZ 3.83Å; F193-R195 HydrophobicContact CB-CG 4.44Å; F193-W199 VanDerWaalsContact C-CE3 3.42Å; F193-W199 CarbonylContact O-C 3.42Å; F193-W199 WeakPolarHBondContact O-CA 3.1Å; F193-V200 PolarHBondContact N-O 3.22Å; F193-V200 WeakPolarHBondContact O-CG2 3.05Å; F193-V200 PolarHBondContact O-N 3.2Å; F193-V202 HydrophobicContact CD2-CB 4.27Å; F193-V202 HydrophobicContact CD2-CG2 3.75Å; F193-V202 HydrophobicContact CE2-CB 4.25Å; F193-V202 HydrophobicContact CE2-CG2 4.18Å; F193-L233 HydrophobicContact CE1-CD2 4.44Å; F193-L233 HydrophobicContact CE1-CG 4.45Å; F193-L233 HydrophobicContact CZ-CG 4.37Å; F193-A236 HydrophobicContact CE2-CB 3.81Å; F193-A236 HydrophobicContact CZ-CB 4.06Å; F193-Y237 AromaticContact CD1-CD2 3.73Å; F193-Y237 HydrophobicContact CD1-CD2 3.73Å; F193-Y237 HydrophobicContact CD1-CE2 4.2Å; F193-Y237 AromaticContact CE1-CD2 3.61Å; F193-Y237 HydrophobicContact CE1-CD2 3.61Å; F193-Y237 HydrophobicContact CE1-CE2 4.45Å; F193-Y237 HydrophobicContact CE1-CG 4.39Å; F193-Y237 HydrophobicContact CG-CD2 4.31Å; F193-Y237 HydrophobicContact CZ-CD2 4.09Å; F193-L240 HydrophobicContact CB-CD2 3.65Å; F193-L240 HydrophobicContact CD2-CD2 3.71Å; F193-L240 HydrophobicContact CG-CD2 3.77Å; F193-D258 CarbonylContact C-O 3.53Å; F193-D258 WeakPolarHBondContact CA-O 3.33Å; F193-L259 HydrophobicContact CD1-CD2 3.89Å; F193-L259 HydrophobicContact CE1-CD2 3.88Å
194	W	92.8	Very high	92.7	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.011	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.6	165.7	-174.7	94.7	0	0	0	108.8	G197 W199 D258 G261 E399 M467 I546	W194-G197 VanDerWaalsContact CH2-N 3.3Å; W194-W199 HydrophobicContact CB-CD2 4.08Å; W194-W199 HydrophobicContact CB-CE3 4.28Å; W194-W199 HydrophobicContact CB-CH2 4.44Å; W194-W199 HydrophobicContact CB-CZ2 4.24Å; W194-W199 HydrophobicContact CB-CZ3 4.45Å; W194-W199 AromaticContact CD1-CD1 3.87Å; W194-W199 AromaticContact CD1-NE1 3.76Å; W194-D258 PolarHBondContact N-O 3.03Å; W194-D258 WeakPolarHBondContact O-CA 3.47Å; W194-G261 VanDerWaalsContact CD1-CA 3.41Å; W194-E399 PolarHBondContact NE1-OE2 3.48Å; W194-M467 HydrophobicContact CH2-CE 4.19Å; W194-M467 HydrophobicContact CZ3-CE 3.92Å; W194-M467 HydrophobicContact CZ3-SD 4.17Å; W194-I546 HydrophobicContact CH2-CD1 3.59Å; W194-I546 HydrophobicContact CZ2-CD1 4.3Å; W194-I546 HydrophobicContact CZ3-CD1 4.44Å
195	R	90.4	Very high	93.2	Very high	17 Å²	17	12.2 Å²	12.2	6%	0.064	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	112.7	179.5	-67.9	-60.3	-70.2	-160.1	-7.4	110	F193 G197 H198 V200 L240 N241 D258	F193-R195 HydrophobicContact CB-CG 4.44Å; R195-G197 VanDerWaalsContact C-N 3.26Å; R195-G197 PolarHBondContact O-N 2.85Å; R195-G197 VanDerWaalsContact O-N 3.14Å; R195-H198 PolarHBondContact N-O 3.4Å; R195-H198 PolarHBondContact O-N 2.88Å; R195-H198 VanDerWaalsContact O-O 3.11Å; R195-V200 HydrophobicContact CB-CG1 4.45Å; R195-V200 HydrophobicContact CB-CG2 4.06Å; R195-V200 HydrophobicContact CG-CG2 3.57Å; R195-L240 VanDerWaalsContact CD-CD2 3.48Å; R195-L240 HydrophobicContact CG-CD1 4.14Å; R195-L240 HydrophobicContact CG-CD2 3.73Å; R195-L240 HydrophobicContact CG-CG 4.26Å; R195-N241 PolarHBondContact NH1-OD1 3.32Å; R195-D258 IonicContact CZ-OD2 3.97Å; R195-D258 IonicContact NH1-OD2 2.68Å; R195-D258 PolarHBondContact NH1-OD2 3.46Å
196	F	88.1	Confident	93.4	Very high	26 Å²	26	10.6 Å²	10.6	11%	0.114	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	47.5	168.2	-45.1	-54.7	0	0	0	112.9	M467 T469 D470 I546	F196-M467 HydrophobicContact CD1-CG 4.35Å; F196-M467 HydrophobicContact CD1-SD 3.56Å; F196-M467 VanDerWaalsContact CD1-SD 3.56Å; F196-M467 HydrophobicContact CE1-CG 4.46Å; F196-M467 HydrophobicContact CE1-SD 3.85Å; F196-T469 HydrophobicContact CB-CG2 3.7Å; F196-T469 HydrophobicContact CD1-CG2 3.58Å; F196-T469 HydrophobicContact CD2-CG2 4.12Å; F196-T469 HydrophobicContact CE1-CG2 4.25Å; F196-T469 HydrophobicContact CG-CG2 3.52Å; F196-D470 VanDerWaalsContact CE2-N 3.33Å; F196-D470 WeakPolarHBondContact CE2-OD1 3.47Å; F196-I546 HydrophobicContact CB-CD1 4.48Å; F196-I546 HydrophobicContact CB-CG2 4.31Å
197	G	84	Confident	93.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-2.3	179.2	0	0	0	0	0	115.4	K74 W194 R195	K74-G197 PolarHBondContact NZ-O 3.32Å; W194-G197 VanDerWaalsContact CH2-N 3.3Å; R195-G197 VanDerWaalsContact C-N 3.26Å; R195-G197 PolarHBondContact O-N 2.85Å; R195-G197 VanDerWaalsContact O-N 3.14Å
198	H	83.9	Confident	93.6	Very high	50 Å²	50	11.7 Å²	11.7	23%	0.231	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.9	-172.5	-58.4	-81.5	0	0	0	112.7	K74 M78 R195	K74-H198 WeakPolarHBondContact CE-ND1 3.33Å; K74-H198 PolarHBondContact NZ-ND1 2.98Å; M78-H198 HydrophobicContact CE-CB 3.79Å; M78-H198 HydrophobicContact SD-CB 4.3Å; R195-H198 PolarHBondContact N-O 3.4Å; R195-H198 PolarHBondContact O-N 2.88Å; R195-H198 VanDerWaalsContact O-O 3.11Å
199	W	88.8	Confident	93.7	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.008	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.6	170.6	-75.5	92.7	0	0	0	112.2	F75 M78 M79 Q172 V173 R192 F193 W194	F75-W199 HydrophobicContact CD2-CB 3.66Å; F75-W199 AromaticContact CD2-CD1 3.48Å; F75-W199 VanDerWaalsContact CD2-CD1 3.48Å; F75-W199 AromaticContact CD2-CD2 3.88Å; F75-W199 HydrophobicContact CD2-CD2 3.88Å; F75-W199 AromaticContact CD2-CG 3.38Å; F75-W199 HydrophobicContact CD2-CG 3.38Å; F75-W199 AromaticContact CD2-NE1 3.96Å; F75-W199 HydrophobicContact CE2-CB 4.16Å; F75-W199 AromaticContact CE2-CD2 3.92Å; F75-W199 HydrophobicContact CE2-CD2 3.92Å; F75-W199 HydrophobicContact CE2-CE3 4.3Å; F75-W199 AromaticContact CE2-CG 3.87Å; F75-W199 HydrophobicContact CE2-CG 3.87Å; F75-W199 HydrophobicContact CG-CG 4.42Å; M78-W199 WeakPolarHBondContact CE-O 3.38Å; M79-W199 HydrophobicContact CE-CB 3.73Å; M79-W199 VanDerWaalsContact CE-O 3.31Å; M79-W199 WeakPolarHBondContact CE-O 3.14Å; Q172-W199 HydrophobicContact CB-CH2 4.43Å; V173-W199 HydrophobicContact CG2-CH2 4.2Å; V173-W199 HydrophobicContact CG2-CZ3 4.17Å; R192-W199 HydrophobicContact CB-CE3 4.14Å; R192-W199 HydrophobicContact CB-CZ3 4.36Å; F193-W199 VanDerWaalsContact C-CE3 3.42Å; F193-W199 CarbonylContact O-C 3.42Å; F193-W199 WeakPolarHBondContact O-CA 3.1Å; W194-W199 HydrophobicContact CB-CD2 4.08Å; W194-W199 HydrophobicContact CB-CE3 4.28Å; W194-W199 HydrophobicContact CB-CH2 4.44Å; W194-W199 HydrophobicContact CB-CZ2 4.24Å; W194-W199 HydrophobicContact CB-CZ3 4.45Å; W194-W199 AromaticContact CD1-CD1 3.87Å; W194-W199 AromaticContact CD1-NE1 3.76Å
200	V	90.1	Very high	93.8	Very high	20 Å²	20	11.2 Å²	11.2	12%	0.121	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.6	177.3	-62.9	0	0	0	0	110.4	I6 R192 F193 R195 V202 L240	I6-V200 HydrophobicContact CG2-CG1 4.14Å; R192-V200 VanDerWaalsContact CA-O 3.28Å; R192-V200 WeakPolarHBondContact CA-O 3.43Å; F193-V200 PolarHBondContact N-O 3.22Å; F193-V200 WeakPolarHBondContact O-CG2 3.05Å; F193-V200 PolarHBondContact O-N 3.2Å; R195-V200 HydrophobicContact CB-CG1 4.45Å; R195-V200 HydrophobicContact CB-CG2 4.06Å; R195-V200 HydrophobicContact CG-CG2 3.57Å; V200-V202 HydrophobicContact CG2-CG2 4.28Å; V200-L240 HydrophobicContact CG2-CD1 4.28Å
201	E	93.8	Very high	93.7	Very high	8 Å²	8	13.6 Å²	13.6	4%	0.037	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122	169.4	-168.9	167.1	96.5	0	0	108.8	A82 R190 F191 R192 L203	A82-E201 HydrophobicContact CB-CB 3.66Å; A82-E201 HydrophobicContact CB-CG 4.36Å; R190-E201 HydrophobicContact CB-CG 4.21Å; R190-E201 IonicContact NH1-OE1 2.59Å; R190-E201 IonicContact NH1-OE2 3.18Å; F191-E201 CarbonylContact O-C 3.58Å; F191-E201 WeakPolarHBondContact O-CA 3.43Å; R192-E201 HydrophobicContact CG-CB 4.17Å; R192-E201 HydrophobicContact CG-CG 4.09Å; R192-E201 IonicContact CZ-OE2 2.97Å; R192-E201 IonicContact NE-OE2 3.96Å; R192-E201 PolarHBondContact NE-OE2 3.41Å; R192-E201 IonicContact NH2-OE2 2.7Å; R192-E201 PolarHBondContact NH2-OE2 3.03Å; E201-L203 HydrophobicContact CG-CD2 4.48Å
202	V	95	Very high	93.5	Very high	11 Å²	11	18 Å²	18	7%	0.067	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.5	-179	-179.3	0	0	0	0	108.6	R190 F191 F193 V200 I204 A236 K239 L240	R190-V202 WeakPolarHBondContact CA-O 3.4Å; F191-V202 PolarHBondContact N-O 3.44Å; F191-V202 PolarHBondContact O-N 2.93Å; F193-V202 HydrophobicContact CD2-CB 4.27Å; F193-V202 HydrophobicContact CD2-CG2 3.75Å; F193-V202 HydrophobicContact CE2-CB 4.25Å; F193-V202 HydrophobicContact CE2-CG2 4.18Å; V200-V202 HydrophobicContact CG2-CG2 4.28Å; V202-I204 HydrophobicContact CG1-CG2 4.38Å; V202-A236 HydrophobicContact CG1-CB 4.22Å; V202-K239 HydrophobicContact CG1-CD 4.02Å; V202-K239 HydrophobicContact CG1-CG 4.41Å; V202-L240 HydrophobicContact CG2-CD1 4Å; V202-L240 HydrophobicContact CG2-CD2 4.48Å
203	L	96.3	Very high	93.4	Very high	16 Å²	16	19.6 Å²	19.6	8%	0.084	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135	172	-53.2	-175.4	0	0	0	109.7	Y86 L89 W100 V188 V189 R190 E201 K239	Y86-L203 HydrophobicContact CD2-CD2 3.8Å; L89-L203 HydrophobicContact CD2-CD1 3.8Å; W100-L203 HydrophobicContact CH2-CB 3.83Å; W100-L203 HydrophobicContact CZ3-CB 3.88Å; V188-L203 HydrophobicContact CG1-CB 4.38Å; V188-L203 HydrophobicContact CG1-CD2 4.44Å; V189-L203 WeakPolarHBondContact O-CA 3.45Å; R190-L203 HydrophobicContact CB-CD2 3.55Å; E201-L203 HydrophobicContact CG-CD2 4.48Å; L203-K239 PolarHBondContact O-NZ 3.27Å
204	I	97.6	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.2	170.3	55.4	163.1	0	0	0	110.6	W100 V189 F191 V202 L232 K235 A236 K239	W100-I204 WeakPolarHBondContact CZ3-O 3.44Å; V189-I204 HydrophobicContact CB-CD1 4.48Å; V189-I204 HydrophobicContact CB-CG1 4.05Å; V189-I204 PolarHBondContact N-O 3.37Å; V189-I204 PolarHBondContact O-N 2.7Å; F191-I204 HydrophobicContact CD2-CD1 4.47Å; F191-I204 HydrophobicContact CE2-CD1 4.13Å; V202-I204 HydrophobicContact CG1-CG2 4.38Å; I204-L232 HydrophobicContact CD1-CB 4.22Å; I204-L232 HydrophobicContact CD1-CD2 4.04Å; I204-L232 WeakPolarHBondContact CD1-O 3.41Å; I204-K235 HydrophobicContact CD1-CB 3.93Å; I204-K235 HydrophobicContact CD1-CD 3.99Å; I204-K235 HydrophobicContact CD1-CG 4.04Å; I204-A236 HydrophobicContact CD1-CB 4.12Å; I204-A236 HydrophobicContact CG1-CB 4.38Å; I204-A236 HydrophobicContact CG2-CB 3.98Å; I204-K239 HydrophobicContact CG2-CB 4.28Å; I204-K239 HydrophobicContact CG2-CD 3.75Å
205	D	97.4	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	161.7	158.8	72.6	58	0	0	0	110.6	W100 D102 G187 R207 K235	W100-D205 HydrophobicContact CE3-CB 4.18Å; W100-D205 WeakPolarHBondContact O-CB 3.05Å; D102-D205 HydrophobicContact CB-CB 4.25Å; D102-D205 WeakPolarHBondContact CB-OD2 3.34Å; D102-D205 PolarHBondContact N-OD2 3.18Å; G187-D205 VanDerWaalsContact O-CA 3.23Å; G187-D205 WeakPolarHBondContact O-CA 3.36Å; D205-R207 PolarHBondContact O-N 3.02Å; D205-R207 VanDerWaalsContact OD1-CB 3.23Å; D205-R207 WeakPolarHBondContact OD1-CB 3.48Å; D205-R207 WeakPolarHBondContact OD1-CG 3.49Å; D205-R207 PolarHBondContact OD1-N 2.71Å; D205-R207 IonicContact OD1-NE 3.51Å; D205-R207 PolarHBondContact OD1-NE 3.08Å; D205-R207 VanDerWaalsContact OD1-NE 3.16Å; D205-R207 IonicContact OD2-CZ 3.3Å; D205-R207 IonicContact OD2-NE 2.84Å; D205-R207 PolarHBondContact OD2-NE 2.66Å; D205-R207 IonicContact OD2-NH2 2.97Å; D205-R207 PolarHBondContact OD2-NH2 3.2Å; D205-K235 PolarHBondContact O-NZ 3.16Å; D205-K235 IonicContact OD1-NZ 3.8Å; D205-K235 PolarHBondContact OD1-NZ 3.25Å
206	D	97.7	Very high	93.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-88.4	8.6	-176.4	68.8	-11.3	0	0	0	114.8	R126 P127 L180 Y185 G187 V189 L208 L232	R126-D206 WeakPolarHBondContact CD-OD1 3.26Å; R126-D206 VanDerWaalsContact CG-OD1 3.27Å; R126-D206 WeakPolarHBondContact CG-OD1 3.48Å; R126-D206 IonicContact CZ-OD1 3.65Å; R126-D206 IonicContact NE-OD1 3.98Å; R126-D206 IonicContact NH1-OD1 3.55Å; R126-D206 PolarHBondContact NH1-OD1 3.13Å; P127-D206 VanDerWaalsContact CD-CG 3.47Å; P127-D206 VanDerWaalsContact CD-O 3.3Å; P127-D206 WeakPolarHBondContact CD-O 3.43Å; P127-D206 VanDerWaalsContact CD-OD2 3.27Å; P127-D206 WeakPolarHBondContact CD-OD2 3.45Å; P127-D206 HydrophobicContact CG-CB 4.15Å; L180-D206 HydrophobicContact CD2-CB 4.43Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.21Å; Y185-D206 VanDerWaalsContact CZ-OD2 3.25Å; Y185-D206 VanDerWaalsContact OH-CG 3.26Å; Y185-D206 PolarHBondContact OH-OD1 2.72Å; Y185-D206 PolarHBondContact OH-OD2 2.87Å; G187-D206 PolarHBondContact O-N 3.44Å; V189-D206 HydrophobicContact CG2-CB 3.95Å; D206-L208 PolarHBondContact O-N 3.33Å; D206-L232 HydrophobicContact CB-CD2 3.94Å
207	R	98.2	Very high	93.8	Very high	32 Å²	32	32.6 Å²	32.6	12%	0.121	17%	0.17	C	C	.	.			trans	-67.8	124	175.6	-62.2	174.8	-72.3	-168.1	0.4	109.9	E101 A107 W124 K125 R126 D205 K235	E101-R207 IonicContact OE1-NH1 3.94Å; E101-R207 IonicContact OE2-CZ 2.92Å; E101-R207 IonicContact OE2-NH1 3.96Å; E101-R207 PolarHBondContact OE2-NH1 3.17Å; E101-R207 IonicContact OE2-NH2 3.75Å; A107-R207 HydrophobicContact CB-CB 4.34Å; W124-R207 HydrophobicContact CB-CB 4.31Å; W124-R207 HydrophobicContact CE3-CB 4.15Å; W124-R207 VanDerWaalsContact CE3-O 3.27Å; W124-R207 WeakPolarHBondContact CZ3-O 3.21Å; K125-R207 CarbonylContact O-C 3.6Å; K125-R207 WeakPolarHBondContact O-CA 3.48Å; R126-R207 HydrophobicContact CG-CG 3.71Å; D205-R207 PolarHBondContact O-N 3.02Å; D205-R207 VanDerWaalsContact OD1-CB 3.23Å; D205-R207 WeakPolarHBondContact OD1-CB 3.48Å; D205-R207 WeakPolarHBondContact OD1-CG 3.49Å; D205-R207 PolarHBondContact OD1-N 2.71Å; D205-R207 IonicContact OD1-NE 3.51Å; D205-R207 PolarHBondContact OD1-NE 3.08Å; D205-R207 VanDerWaalsContact OD1-NE 3.16Å; D205-R207 IonicContact OD2-CZ 3.3Å; D205-R207 IonicContact OD2-NE 2.84Å; D205-R207 PolarHBondContact OD2-NE 2.66Å; D205-R207 IonicContact OD2-NH2 2.97Å; D205-R207 PolarHBondContact OD2-NH2 3.2Å; R207-K235 WeakPolarHBondContact O-CD 3.48Å; R207-K235 WeakPolarHBondContact O-CE 3.38Å; R207-K235 PolarHBondContact O-NZ 2.84Å
208	L	98.3	Very high	94.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.9	-179.8	-69.9	166.8	0	0	0	111.6	W124 K125 I130 D206 V210 L217 F228 A231 L232 K235	W124-L208 WeakPolarHBondContact CA-O 3.28Å; K125-L208 PolarHBondContact N-O 3.01Å; K125-L208 PolarHBondContact O-N 3.36Å; I130-L208 HydrophobicContact CD1-CB 4.43Å; D206-L208 PolarHBondContact O-N 3.33Å; L208-V210 PolarHBondContact O-N 3.26Å; L208-L217 HydrophobicContact CB-CD2 3.53Å; L208-L217 HydrophobicContact CD1-CD1 4.49Å; L208-L217 HydrophobicContact CD1-CD2 3.85Å; L208-L217 HydrophobicContact CG-CD2 4.27Å; L208-F228 HydrophobicContact CD1-CD1 3.7Å; L208-F228 HydrophobicContact CD1-CE1 4.4Å; L208-A231 HydrophobicContact CD1-CB 3.82Å; L208-A231 HydrophobicContact CD2-CB 4.05Å; L208-L232 HydrophobicContact CD1-CD2 4.27Å; L208-L232 HydrophobicContact CD1-CG 4.35Å; L208-L232 HydrophobicContact CD2-CD2 4.03Å; L208-L232 HydrophobicContact CD2-CG 4.47Å; L208-L232 HydrophobicContact CG-CD2 4.15Å; L208-K235 HydrophobicContact CD2-CB 4.29Å; L208-K235 HydrophobicContact CD2-CD 4.26Å
209	P	97.3	Very high	94.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	119.2	173.7	-17.5	32.5	0	0	0	110.9	I112 I122 W124 V218 F219 Y244	I112-P209 HydrophobicContact CD1-CB 4.07Å; I112-P209 HydrophobicContact CD1-CG 3.85Å; I122-P209 HydrophobicContact CG2-CB 3.77Å; W124-P209 HydrophobicContact CE3-CG 4.22Å; W124-P209 HydrophobicContact CH2-CG 3.81Å; W124-P209 HydrophobicContact CZ2-CG 4.13Å; W124-P209 HydrophobicContact CZ3-CG 3.84Å; P209-V218 HydrophobicContact CB-CB 4.32Å; P209-V218 HydrophobicContact CB-CG2 4.31Å; P209-V218 PolarHBondContact O-N 3.25Å; P209-V218 VanDerWaalsContact O-N 3.1Å; P209-F219 HydrophobicContact CB-CD2 4.07Å; P209-F219 HydrophobicContact CB-CE2 3.93Å; P209-F219 HydrophobicContact CG-CD2 3.77Å; P209-F219 HydrophobicContact CG-CE2 3.71Å; P209-Y244 HydrophobicContact CG-CE2 3.86Å
210	V	96.9	Very high	95	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.7	172.7	-59.9	0	0	0	0	110.7	I122 E123 K125 I130 L208 Q212 T216 L217	I122-V210 WeakPolarHBondContact CA-O 3.42Å; E123-V210 HydrophobicContact CB-CG2 3.85Å; E123-V210 PolarHBondContact N-O 3.35Å; E123-V210 VanDerWaalsContact O-CG2 3.31Å; E123-V210 WeakPolarHBondContact O-CG2 3.43Å; E123-V210 PolarHBondContact O-N 3.31Å; K125-V210 HydrophobicContact CB-CG1 4.42Å; K125-V210 HydrophobicContact CB-CG2 4.3Å; K125-V210 HydrophobicContact CD-CG2 3.85Å; K125-V210 HydrophobicContact CG-CG2 3.91Å; I130-V210 HydrophobicContact CD1-CG1 3.51Å; I130-V210 HydrophobicContact CG1-CG1 3.9Å; L208-V210 PolarHBondContact O-N 3.26Å; V210-Q212 PolarHBondContact O-N 3.43Å; V210-T216 VanDerWaalsContact CA-O 3.28Å; V210-T216 WeakPolarHBondContact CA-O 3.37Å; V210-T216 WeakPolarHBondContact CB-O 3.47Å; V210-L217 HydrophobicContact CG1-CD2 4.05Å
211	R	94.7	Very high	95	Very high	63 Å²	63	31.8 Å²	31.8	24%	0.238	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.7	173	-64.9	178.5	163.9	112.1	-7.6	109.5	E120 G213 R214 T216 L217 V218	E120-R211 IonicContact OE1-CZ 3.19Å; E120-R211 IonicContact OE1-NE 2.74Å; E120-R211 PolarHBondContact OE1-NE 3.09Å; E120-R211 VanDerWaalsContact OE1-NE 3.1Å; E120-R211 IonicContact OE1-NH2 2.76Å; E120-R211 PolarHBondContact OE1-NH2 3.06Å; E120-R211 WeakPolarHBondContact OE2-CD 3.41Å; E120-R211 VanDerWaalsContact OE2-CG 3.25Å; E120-R211 WeakPolarHBondContact OE2-CG 3.39Å; E120-R211 IonicContact OE2-NE 2.71Å; E120-R211 PolarHBondContact OE2-NE 3.25Å; R211-G213 PolarHBondContact O-N 3.26Å; R211-R214 HydrophobicContact CB-CB 4.19Å; R211-R214 CarbonylContact O-C 3.6Å; R211-R214 WeakPolarHBondContact O-CA 3.35Å; R211-R214 WeakPolarHBondContact O-CB 3.42Å; R211-R214 PolarHBondContact O-N 2.98Å; R211-T216 PolarHBondContact N-O 3.39Å; R211-L217 PolarHBondContact NH1-O 2.84Å; R211-V218 HydrophobicContact CG-CG2 3.85Å
212	Q	92.2	Very high	94.9	Very high	91 Å²	91	31.9 Å²	31.9	43%	0.425	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	131.9	-175.6	173.4	162.5	60	0	0	112.2	R121 E123 V210 R214	R121-Q212 HydrophobicContact CB-CB 3.76Å; R121-Q212 HydrophobicContact CB-CG 4.44Å; R121-Q212 VanDerWaalsContact CB-OE1 3.27Å; R121-Q212 VanDerWaalsContact O-CB 3.29Å; R121-Q212 WeakPolarHBondContact O-CB 3.43Å; R121-Q212 PolarHBondContact O-N 3.03Å; E123-Q212 HydrophobicContact CG-CB 4.18Å; E123-Q212 HydrophobicContact CG-CG 4.18Å; E123-Q212 WeakPolarHBondContact OE1-CG 3.37Å; V210-Q212 PolarHBondContact O-N 3.43Å; Q212-R214 PolarHBondContact O-N 3.28Å
213	G	91.9	Very high	94.4	Very high	67 Å²	67	36.1 Å²	36.1	69%	0.691	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	4	-179.1	0	0	0	0	0	114.4	E123 R211	E123-G213 PolarHBondContact OE2-N 3.32Å; R211-G213 PolarHBondContact O-N 3.26Å
214	R	91.9	Very high	94.1	Very high	151 Å²	151	38.1 Å²	38.1	57%	0.57	20%	0.2	S	C	*	.	S	Bend	trans	-119.1	162.6	173.9	-56	-178.5	-179.5	173.8	0.6	109.3	K125 R211 Q212	K125-R214 PolarHBondContact NZ-O 2.95Å; R211-R214 HydrophobicContact CB-CB 4.19Å; R211-R214 CarbonylContact O-C 3.6Å; R211-R214 WeakPolarHBondContact O-CA 3.35Å; R211-R214 WeakPolarHBondContact O-CB 3.42Å; R211-R214 PolarHBondContact O-N 2.98Å; Q212-R214 PolarHBondContact O-N 3.28Å
215	N	93.7	Very high	93.8	Very high	84 Å²	84	42.4 Å²	42.4	45%	0.449	23%	0.227	S	C	.	.			trans	-107.4	40.7	169.2	-76.4	3.7	0	0	0	109.4	K125 E129 I130	K125-N215 PolarHBondContact NZ-OD1 3.37Å; E129-N215 PolarHBondContact O-ND2 2.92Å; I130-N215 HydrophobicContact CG2-CB 4.01Å; I130-N215 VanDerWaalsContact CG2-O 3.32Å; I130-N215 WeakPolarHBondContact CG2-O 3.44Å; I130-N215 PolarHBondContact O-ND2 2.94Å
216	T	94.3	Very high	93.7	Very high	63 Å²	63	43.6 Å²	43.6	39%	0.387	24%	0.235	S	C	.	.			trans	-113.7	129	178	54.6	0	0	0	0	109.5	V210 R211	V210-T216 VanDerWaalsContact CA-O 3.28Å; V210-T216 WeakPolarHBondContact CA-O 3.37Å; V210-T216 WeakPolarHBondContact CB-O 3.47Å; R211-T216 PolarHBondContact N-O 3.39Å
217	L	95.6	Very high	93.6	Very high	20 Å²	20	43.8 Å²	43.8	11%	0.105	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-63.4	150.2	176.5	-68.6	169.8	0	0	0	110.3	I130 L208 V210 R211 H221 F228 A231	I130-L217 HydrophobicContact CD1-CD2 3.89Å; L208-L217 HydrophobicContact CB-CD2 3.53Å; L208-L217 HydrophobicContact CD1-CD1 4.49Å; L208-L217 HydrophobicContact CD1-CD2 3.85Å; L208-L217 HydrophobicContact CG-CD2 4.27Å; V210-L217 HydrophobicContact CG1-CD2 4.05Å; R211-L217 PolarHBondContact NH1-O 2.84Å; L217-H221 HydrophobicContact CB-CB 4.08Å; L217-H221 HydrophobicContact CD1-CB 3.62Å; L217-H221 HydrophobicContact CG-CB 4.46Å; L217-F228 HydrophobicContact CD1-CD1 4.24Å; L217-F228 HydrophobicContact CD1-CE1 4.15Å; L217-A231 HydrophobicContact CD1-CB 3.99Å
218	V	94.4	Very high	93.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-88.1	-40.3	179.2	177.5	0	0	0	0	111.4	F118 I122 G149 A150 P209 R211	F118-V218 HydrophobicContact CE1-CG1 4.39Å; F118-V218 HydrophobicContact CE2-CG1 3.4Å; F118-V218 HydrophobicContact CZ-CB 4.49Å; F118-V218 HydrophobicContact CZ-CG1 3.31Å; F118-V218 HydrophobicContact CZ-CG2 4.33Å; I122-V218 HydrophobicContact CG1-CG2 4.24Å; G149-V218 CarbonylContact C-O 3.54Å; G149-V218 WeakPolarHBondContact CA-O 3.3Å; A150-V218 HydrophobicContact CB-CG1 4.16Å; A150-V218 PolarHBondContact N-O 3.39Å; P209-V218 HydrophobicContact CB-CB 4.32Å; P209-V218 HydrophobicContact CB-CG2 4.31Å; P209-V218 PolarHBondContact O-N 3.25Å; P209-V218 VanDerWaalsContact O-N 3.1Å; R211-V218 HydrophobicContact CG-CG2 3.85Å
219	F	94.1	Very high	93.4	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.018	23%	0.23	C	C	.	.	S	Bend	trans	-107.8	-147.7	-171.6	-55.4	-53.5	0	0	0	111.3	I112 L115 G149 L151 P209 H221 E234 Y244	I112-F219 HydrophobicContact CD1-CE2 3.78Å; I112-F219 HydrophobicContact CD1-CZ 4.16Å; I112-F219 HydrophobicContact CG2-CZ 4.31Å; L115-F219 HydrophobicContact CD1-CE1 4.11Å; L115-F219 HydrophobicContact CD1-CZ 4.14Å; G149-F219 WeakPolarHBondContact CA-O 3.47Å; L151-F219 HydrophobicContact CB-CD1 3.74Å; L151-F219 HydrophobicContact CB-CE1 4.13Å; L151-F219 HydrophobicContact CD2-CD1 4.36Å; P209-F219 HydrophobicContact CB-CD2 4.07Å; P209-F219 HydrophobicContact CB-CE2 3.93Å; P209-F219 HydrophobicContact CG-CD2 3.77Å; P209-F219 HydrophobicContact CG-CE2 3.71Å; F219-H221 PolarHBondContact O-N 2.99Å; F219-H221 PolarHBondContact O-ND1 3.05Å; F219-E234 WeakPolarHBondContact CB-OE1 3.48Å; F219-E234 WeakPolarHBondContact CB-OE2 3.48Å; F219-Y244 HydrophobicContact CB-CE1 4.3Å; F219-Y244 AromaticContact CD2-CD1 3.39Å; F219-Y244 HydrophobicContact CD2-CD1 3.39Å; F219-Y244 HydrophobicContact CD2-CD2 4.25Å; F219-Y244 AromaticContact CD2-CE1 3.34Å; F219-Y244 HydrophobicContact CD2-CE1 3.34Å; F219-Y244 HydrophobicContact CD2-CE2 4.22Å; F219-Y244 AromaticContact CD2-CG 3.86Å; F219-Y244 HydrophobicContact CD2-CG 3.86Å; F219-Y244 AromaticContact CD2-CZ 3.76Å; F219-Y244 AromaticContact CE2-CD1 3.53Å; F219-Y244 HydrophobicContact CE2-CD1 3.53Å; F219-Y244 AromaticContact CE2-CD2 3.75Å; F219-Y244 HydrophobicContact CE2-CD2 3.75Å; F219-Y244 AromaticContact CE2-CE1 3.85Å; F219-Y244 HydrophobicContact CE2-CE1 3.85Å; F219-Y244 HydrophobicContact CE2-CE2 4.06Å; F219-Y244 AromaticContact CE2-CG 3.46Å; F219-Y244 HydrophobicContact CE2-CG 3.46Å; F219-Y244 VanDerWaalsContact CE2-CG 3.46Å; F219-Y244 AromaticContact CG-CD1 3.99Å; F219-Y244 HydrophobicContact CG-CD1 3.99Å; F219-Y244 HydrophobicContact CG-CE1 4.05Å; F219-Y244 HydrophobicContact CZ-CD1 4.22Å; F219-Y244 HydrophobicContact CZ-CG 4.03Å
220	M	92.7	Very high	93.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-53.3	135.3	-178.4	-169	-172.2	-55.4	0	0	111.7	I146 E147 L156 L157 A231 E234	I146-M220 HydrophobicContact CG2-CG 4.33Å; I146-M220 HydrophobicContact CG2-SD 4.09Å; E147-M220 VanDerWaalsContact O-CA 3.31Å; E147-M220 WeakPolarHBondContact O-CA 3.46Å; L156-M220 HydrophobicContact CD2-CE 4.37Å; L157-M220 HydrophobicContact CB-CE 4.5Å; L157-M220 HydrophobicContact CD1-CE 3.33Å; L157-M220 HydrophobicContact CD2-CE 4.39Å; L157-M220 HydrophobicContact CD2-CG 4.3Å; L157-M220 HydrophobicContact CG-CE 3.43Å; L157-M220 VanDerWaalsContact CG-CE 3.43Å; L157-M220 HydrophobicContact CG-CG 4.29Å; L157-M220 HydrophobicContact CG-SD 4.26Å; M220-A231 WeakPolarHBondContact O-CA 3.36Å; M220-A231 WeakPolarHBondContact O-CB 3.33Å; M220-E234 HydrophobicContact CB-CB 4.05Å; M220-E234 HydrophobicContact CB-CG 4.15Å; M220-E234 VanDerWaalsContact CB-OE1 3.32Å; M220-E234 WeakPolarHBondContact CB-OE1 3.44Å; M220-E234 WeakPolarHBondContact CB-OE2 3.49Å; M220-E234 HydrophobicContact CE-CB 3.91Å; M220-E234 HydrophobicContact CE-CG 4.07Å; M220-E234 PolarHBondContact N-OE1 3.33Å; M220-E234 VanDerWaalsContact N-OE1 3.13Å; M220-E234 PolarHBondContact N-OE2 3.07Å; M220-E234 HydrophobicContact SD-CB 4.33Å
221	H	91.9	Very high	93.2	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.241	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-151.6	163.9	178.5	57.6	-73.6	0	0	0	111.9	D145 E147 L217 F219	D145-H221 CarbonylContact O-C 3.51Å; E147-H221 WeakPolarHBondContact CB-O 3.38Å; E147-H221 PolarHBondContact N-O 3.16Å; E147-H221 PolarHBondContact O-N 2.86Å; E147-H221 VanDerWaalsContact O-N 3.13Å; E147-H221 IonicContact OE2-CD2 3.85Å; E147-H221 IonicContact OE2-NE2 2.77Å; L217-H221 HydrophobicContact CB-CB 4.08Å; L217-H221 HydrophobicContact CD1-CB 3.62Å; L217-H221 HydrophobicContact CG-CB 4.46Å; F219-H221 PolarHBondContact O-N 2.99Å; F219-H221 PolarHBondContact O-ND1 3.05Å
222	S	90.6	Very high	93.4	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.07	22%	0.218	C	C	.	.			trans	-88.7	150.9	173.4	179.6	0	0	0	0	110.9	D145 D224 E227	D145-S222 WeakPolarHBondContact CA-OG 3.32Å; D145-S222 WeakPolarHBondContact O-CA 3.18Å; S222-D224 PolarHBondContact O-N 2.83Å; S222-D224 PolarHBondContact OG-N 3.02Å; S222-E227 PolarHBondContact OG-OE2 3.5Å; S222-E227 VanDerWaalsContact OG-OE2 3.1Å
223	N	85.3	Confident	93.7	Very high	99 Å²	99	35 Å²	35	53%	0.529	20%	0.198	S	C	.	.	S	Bend	trans	-62.7	-29.1	165.4	-96.2	-49.4	0	0	0	112.4	E147 P225	E147-N223 VanDerWaalsContact CD-ND2 3.25Å; E147-N223 PolarHBondContact OE1-ND2 3.33Å; E147-N223 PolarHBondContact OE1-OD1 3Å; E147-N223 PolarHBondContact OE2-OD1 3.21Å; N223-P225 VanDerWaalsContact O-CD 3.3Å; N223-P225 WeakPolarHBondContact O-CD 3.36Å
224	D	90.2	Very high	93.9	Very high	59 Å²	59	31.9 Å²	31.9	32%	0.316	17%	0.166	S	C	.	.	S	Bend	trans	-80.5	111.1	168.7	-173.4	-28.6	0	0	0	108.9	A138 S222 T226 E227	A138-D224 WeakPolarHBondContact CB-OD2 3.43Å; S222-D224 PolarHBondContact O-N 2.83Å; S222-D224 PolarHBondContact OG-N 3.02Å; D224-T226 VanDerWaalsContact CG-OG1 3.32Å; D224-T226 PolarHBondContact O-N 3.24Å; D224-T226 WeakPolarHBondContact OD1-CA 3.44Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.36Å; D224-T226 PolarHBondContact OD1-N 2.92Å; D224-T226 PolarHBondContact OD1-OG1 3.49Å; D224-T226 PolarHBondContact OD2-OG1 3.4Å; D224-E227 HydrophobicContact CB-CB 4.28Å; D224-E227 PolarHBondContact O-N 3.48Å
225	P	91.6	Very high	94.2	Very high	90 Å²	90	24.7 Å²	24.7	58%	0.584	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.2	-177.5	30.8	-37.6	0	0	0	113.6	N131 N223	N131-P225 PolarHBondContact ND2-O 3.33Å; N223-P225 VanDerWaalsContact O-CD 3.3Å; N223-P225 WeakPolarHBondContact O-CD 3.36Å
226	T	94.5	Very high	94.4	Very high	25 Å²	25	20.7 Å²	20.7	15%	0.153	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.6	175.2	72.8	0	0	0	0	113.5	N133 A134 K135 D224 F228	N133-T226 HydrophobicContact CB-CG2 4.02Å; A134-T226 CarbonylContact C-O 3.59Å; A134-T226 WeakPolarHBondContact CA-O 3.49Å; K135-T226 PolarHBondContact N-O 2.89Å; D224-T226 VanDerWaalsContact CG-OG1 3.32Å; D224-T226 PolarHBondContact O-N 3.24Å; D224-T226 WeakPolarHBondContact OD1-CA 3.44Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.36Å; D224-T226 PolarHBondContact OD1-N 2.92Å; D224-T226 PolarHBondContact OD1-OG1 3.49Å; D224-T226 PolarHBondContact OD2-OG1 3.4Å; T226-F228 WeakPolarHBondContact O-CD2 3.39Å
227	E	95	Very high	94.6	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.019	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-109.9	138.4	-174.6	-168.8	173.1	-126.8	0	0	113.3	F136 F137 A138 D145 S222 D224	F136-E227 WeakPolarHBondContact O-CG 3.41Å; F137-E227 WeakPolarHBondContact CA-OE1 3.4Å; A138-E227 HydrophobicContact CB-CB 3.82Å; A138-E227 HydrophobicContact CB-CG 4.2Å; A138-E227 PolarHBondContact N-OE1 3.42Å; D145-E227 WeakPolarHBondContact CB-OE2 3.45Å; D145-E227 VanDerWaalsContact OD1-OE2 3.11Å; S222-E227 PolarHBondContact OG-OE2 3.5Å; S222-E227 VanDerWaalsContact OG-OE2 3.1Å; D224-E227 HydrophobicContact CB-CB 4.28Å; D224-E227 PolarHBondContact O-N 3.48Å
228	F	96.5	Very high	94.7	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.018	9%	0.094	C	C	.	.			trans	-136.7	-0.7	-167.9	-69.2	-93.1	0	0	0	115.6	P127 I130 N131 A134 K135 L180 L208 L217 T226 S230 A231 L232	P127-F228 HydrophobicContact CB-CB 4.37Å; P127-F228 HydrophobicContact CB-CD1 3.86Å; P127-F228 HydrophobicContact CB-CD2 3.88Å; P127-F228 HydrophobicContact CB-CE1 4.05Å; P127-F228 HydrophobicContact CB-CE2 4.09Å; P127-F228 HydrophobicContact CB-CG 3.76Å; P127-F228 HydrophobicContact CB-CZ 4.16Å; P127-F228 HydrophobicContact CG-CB 4.43Å; P127-F228 HydrophobicContact CG-CD1 4.22Å; P127-F228 HydrophobicContact CG-CG 4.24Å; I130-F228 HydrophobicContact CB-CE1 4.35Å; I130-F228 HydrophobicContact CB-CZ 4.26Å; I130-F228 HydrophobicContact CD1-CE1 4.05Å; I130-F228 HydrophobicContact CG2-CE1 4.29Å; I130-F228 HydrophobicContact CG2-CZ 4.21Å; N131-F228 HydrophobicContact CB-CE2 4.4Å; N131-F228 HydrophobicContact CB-CZ 4.24Å; A134-F228 HydrophobicContact CB-CD2 3.82Å; A134-F228 HydrophobicContact CB-CE2 3.49Å; A134-F228 VanDerWaalsContact CB-CE2 3.49Å; A134-F228 HydrophobicContact CB-CZ 4.34Å; K135-F228 PolarHBondContact O-N 3.29Å; L180-F228 HydrophobicContact CD1-CB 3.83Å; L180-F228 HydrophobicContact CD1-CD2 4.43Å; L180-F228 HydrophobicContact CD1-CG 4.41Å; L208-F228 HydrophobicContact CD1-CD1 3.7Å; L208-F228 HydrophobicContact CD1-CE1 4.4Å; L217-F228 HydrophobicContact CD1-CD1 4.24Å; L217-F228 HydrophobicContact CD1-CE1 4.15Å; T226-F228 WeakPolarHBondContact O-CD2 3.39Å; F228-S230 VanDerWaalsContact C-N 3.3Å; F228-S230 PolarHBondContact O-N 3.16Å; F228-A231 PolarHBondContact O-N 3.25Å; F228-L232 HydrophobicContact CB-CD1 4.16Å; F228-L232 WeakPolarHBondContact O-CB 3.22Å; F228-L232 WeakPolarHBondContact O-CD1 3.45Å; F228-L232 VanDerWaalsContact O-CG 3.26Å; F228-L232 WeakPolarHBondContact O-CG 3.33Å; F228-L232 PolarHBondContact O-N 3.28Å
229	W	95.5	Very high	94.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-38	-176.3	73.5	-92.6	0	0	0	112.9	F136 F137 A141 D145 I146 V160 F170 V174 L232 L233	F136-W229 HydrophobicContact CD1-CB 4.14Å; F136-W229 HydrophobicContact CD2-CB 4.22Å; F136-W229 HydrophobicContact CE1-CB 3.86Å; F136-W229 HydrophobicContact CE2-CB 3.94Å; F136-W229 HydrophobicContact CG-CB 4.31Å; F136-W229 HydrophobicContact CZ-CB 3.74Å; F136-W229 WeakPolarHBondContact O-CB 3.3Å; F136-W229 PolarHBondContact O-N 2.94Å; F137-W229 HydrophobicContact CD1-CB 4.23Å; F137-W229 AromaticContact CD1-CD1 3.35Å; F137-W229 AromaticContact CD1-CG 3.78Å; F137-W229 HydrophobicContact CD1-CG 3.78Å; F137-W229 AromaticContact CD1-NE1 3.87Å; F137-W229 HydrophobicContact CE1-CB 3.84Å; F137-W229 AromaticContact CE1-CD1 3.45Å; F137-W229 VanDerWaalsContact CE1-CD1 3.45Å; F137-W229 AromaticContact CE1-CD2 3.84Å; F137-W229 HydrophobicContact CE1-CD2 3.84Å; F137-W229 AromaticContact CE1-CG 3.41Å; F137-W229 HydrophobicContact CE1-CG 3.41Å; F137-W229 VanDerWaalsContact CE1-CG 3.41Å; F137-W229 AromaticContact CE1-NE1 3.86Å; F137-W229 HydrophobicContact CZ-CB 4.32Å; F137-W229 HydrophobicContact CZ-CG 4.29Å; A141-W229 HydrophobicContact CB-CZ2 4.22Å; D145-W229 HydrophobicContact CB-CZ2 3.95Å; D145-W229 PolarHBondContact OD2-NE1 3.25Å; I146-W229 HydrophobicContact CD1-CH2 4.06Å; I146-W229 HydrophobicContact CD1-CZ2 4.38Å; I146-W229 HydrophobicContact CG1-CH2 4.3Å; I146-W229 HydrophobicContact CG1-CZ2 4.36Å; V160-W229 HydrophobicContact CG1-CH2 3.69Å; V160-W229 HydrophobicContact CG1-CZ3 3.75Å; F170-W229 HydrophobicContact CE2-CE3 4.09Å; F170-W229 AromaticContact CE2-CH2 3.51Å; F170-W229 HydrophobicContact CE2-CH2 3.51Å; F170-W229 HydrophobicContact CE2-CZ2 4.2Å; F170-W229 AromaticContact CE2-CZ3 3.45Å; F170-W229 HydrophobicContact CE2-CZ3 3.45Å; F170-W229 VanDerWaalsContact CE2-CZ3 3.45Å; F170-W229 HydrophobicContact CZ-CD2 4.18Å; F170-W229 AromaticContact CZ-CE3 3.84Å; F170-W229 HydrophobicContact CZ-CE3 3.84Å; F170-W229 AromaticContact CZ-CH2 3.88Å; F170-W229 HydrophobicContact CZ-CH2 3.88Å; F170-W229 HydrophobicContact CZ-CZ2 4.2Å; F170-W229 AromaticContact CZ-CZ3 3.68Å; F170-W229 HydrophobicContact CZ-CZ3 3.68Å; V174-W229 HydrophobicContact CG2-CE3 4.34Å; V174-W229 HydrophobicContact CG2-CZ3 4.41Å; W229-L232 PolarHBondContact O-N 3.46Å; W229-L233 HydrophobicContact CE3-CD1 4.36Å; W229-L233 HydrophobicContact CZ3-CD1 3.95Å; W229-L233 WeakPolarHBondContact O-CB 3.47Å; W229-L233 PolarHBondContact O-N 2.95Å
230	S	95	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.7	-48.3	-178.1	53.9	0	0	0	0	111.5	D145 F228 L232 L233 E234	D145-S230 WeakPolarHBondContact O-CB 3.29Å; D145-S230 PolarHBondContact O-OG 2.85Å; F228-S230 VanDerWaalsContact C-N 3.3Å; F228-S230 PolarHBondContact O-N 3.16Å; S230-L232 VanDerWaalsContact C-N 3.28Å; S230-L232 PolarHBondContact O-N 3.01Å; S230-L233 WeakPolarHBondContact O-CB 3.45Å; S230-L233 PolarHBondContact O-N 3.47Å; S230-L233 VanDerWaalsContact O-N 3.15Å; S230-E234 PolarHBondContact O-N 3.21Å
231	A	96.9	Very high	95	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-40.1	173.4	0	0	0	0	0	112.4	L208 L217 M220 F228 K235	L208-A231 HydrophobicContact CD1-CB 3.82Å; L208-A231 HydrophobicContact CD2-CB 4.05Å; L217-A231 HydrophobicContact CD1-CB 3.99Å; M220-A231 WeakPolarHBondContact O-CA 3.36Å; M220-A231 WeakPolarHBondContact O-CB 3.33Å; F228-A231 PolarHBondContact O-N 3.25Å; A231-K235 PolarHBondContact O-N 2.71Å; A231-K235 VanDerWaalsContact O-N 3.08Å
232	L	98	Very high	95.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-72.4	-34.4	177.9	-69.7	165.8	0	0	0	112.1	F136 L180 V189 F191 I204 D206 L208 F228 W229 S230 K235 A236	F136-L232 HydrophobicContact CD2-CD1 4.03Å; F136-L232 HydrophobicContact CE2-CD1 3.98Å; L180-L232 HydrophobicContact CD1-CD1 4.19Å; L180-L232 HydrophobicContact CD2-CD1 3.85Å; V189-L232 HydrophobicContact CG1-CB 4.37Å; V189-L232 HydrophobicContact CG1-CD1 4.27Å; V189-L232 HydrophobicContact CG2-CD1 4.2Å; F191-L232 HydrophobicContact CE2-CB 3.78Å; F191-L232 VanDerWaalsContact CE2-O 3.3Å; F191-L232 WeakPolarHBondContact CE2-O 3.24Å; F191-L232 HydrophobicContact CZ-CB 3.74Å; I204-L232 HydrophobicContact CD1-CB 4.22Å; I204-L232 HydrophobicContact CD1-CD2 4.04Å; I204-L232 WeakPolarHBondContact CD1-O 3.41Å; D206-L232 HydrophobicContact CB-CD2 3.94Å; L208-L232 HydrophobicContact CD1-CD2 4.27Å; L208-L232 HydrophobicContact CD1-CG 4.35Å; L208-L232 HydrophobicContact CD2-CD2 4.03Å; L208-L232 HydrophobicContact CD2-CG 4.47Å; L208-L232 HydrophobicContact CG-CD2 4.15Å; F228-L232 HydrophobicContact CB-CD1 4.16Å; F228-L232 WeakPolarHBondContact O-CB 3.22Å; F228-L232 WeakPolarHBondContact O-CD1 3.45Å; F228-L232 VanDerWaalsContact O-CG 3.26Å; F228-L232 WeakPolarHBondContact O-CG 3.33Å; F228-L232 PolarHBondContact O-N 3.28Å; W229-L232 PolarHBondContact O-N 3.46Å; S230-L232 VanDerWaalsContact C-N 3.28Å; S230-L232 PolarHBondContact O-N 3.01Å; L232-K235 WeakPolarHBondContact O-CB 3.46Å; L232-K235 PolarHBondContact O-N 2.88Å; L232-A236 PolarHBondContact O-N 3.42Å
233	L	97.5	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-48	174	-177.1	154.5	0	0	0	110.5	V160 V173 V174 F191 F193 W229 S230 K235 A236 Y237	V160-L233 HydrophobicContact CG1-CD1 4.22Å; V160-L233 HydrophobicContact CG1-CD2 4.49Å; V160-L233 HydrophobicContact CG2-CD2 3.77Å; V173-L233 HydrophobicContact CG1-CD1 4Å; V174-L233 HydrophobicContact CG2-CD1 3.74Å; F191-L233 HydrophobicContact CD1-CB 4Å; F191-L233 HydrophobicContact CD1-CD1 4.23Å; F191-L233 HydrophobicContact CD1-CG 4.1Å; F191-L233 HydrophobicContact CE1-CB 3.6Å; F191-L233 HydrophobicContact CE1-CD1 4.29Å; F191-L233 HydrophobicContact CE1-CG 4.17Å; F191-L233 HydrophobicContact CZ-CB 3.94Å; F191-L233 VanDerWaalsContact CZ-N 3.29Å; F193-L233 HydrophobicContact CE1-CD2 4.44Å; F193-L233 HydrophobicContact CE1-CG 4.45Å; F193-L233 HydrophobicContact CZ-CG 4.37Å; W229-L233 HydrophobicContact CE3-CD1 4.36Å; W229-L233 HydrophobicContact CZ3-CD1 3.95Å; W229-L233 WeakPolarHBondContact O-CB 3.47Å; W229-L233 PolarHBondContact O-N 2.95Å; S230-L233 WeakPolarHBondContact O-CB 3.45Å; S230-L233 PolarHBondContact O-N 3.47Å; S230-L233 VanDerWaalsContact O-N 3.15Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 2.93Å; L233-A236 PolarHBondContact O-N 3.47Å; L233-A236 VanDerWaalsContact O-N 3.12Å; L233-Y237 WeakPolarHBondContact O-CB 3.36Å; L233-Y237 PolarHBondContact O-N 2.59Å
234	E	97.7	Very high	96.1	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	8%	0.075	C	C	.	.	H	α-helix	trans	-56.7	-44.9	175.6	-170.3	-165.4	-135.5	0	0	110.7	D153 F219 M220 S230 A236 Y237 A238 Y244 L247	D153-E234 VanDerWaalsContact OD2-OE1 3.11Å; F219-E234 WeakPolarHBondContact CB-OE1 3.48Å; F219-E234 WeakPolarHBondContact CB-OE2 3.48Å; M220-E234 HydrophobicContact CB-CB 4.05Å; M220-E234 HydrophobicContact CB-CG 4.15Å; M220-E234 VanDerWaalsContact CB-OE1 3.32Å; M220-E234 WeakPolarHBondContact CB-OE1 3.44Å; M220-E234 WeakPolarHBondContact CB-OE2 3.49Å; M220-E234 HydrophobicContact CE-CB 3.91Å; M220-E234 HydrophobicContact CE-CG 4.07Å; M220-E234 PolarHBondContact N-OE1 3.33Å; M220-E234 VanDerWaalsContact N-OE1 3.13Å; M220-E234 PolarHBondContact N-OE2 3.07Å; M220-E234 HydrophobicContact SD-CB 4.33Å; S230-E234 PolarHBondContact O-N 3.21Å; E234-A236 PolarHBondContact O-N 3.06Å; E234-Y237 CarbonylContact O-C 3.55Å; E234-Y237 PolarHBondContact O-N 3.31Å; E234-A238 WeakPolarHBondContact O-CB 3.25Å; E234-A238 PolarHBondContact O-N 2.97Å; E234-Y244 HydrophobicContact CG-CD1 4.48Å; E234-Y244 HydrophobicContact CG-CE1 4.02Å; E234-L247 HydrophobicContact CG-CD1 4.27Å
235	K	98.2	Very high	96.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.9	-45.2	174.3	-174.2	175.7	170	-172.6	0	112.8	F105 W124 I204 D205 R207 L208 A231 L232 L233 Y237 A238 K239 Y244	F105-K235 HydrophobicContact CD1-CG 4.45Å; F105-K235 HydrophobicContact CE1-CG 4.11Å; W124-K235 HydrophobicContact CZ3-CD 4.38Å; I204-K235 HydrophobicContact CD1-CB 3.93Å; I204-K235 HydrophobicContact CD1-CD 3.99Å; I204-K235 HydrophobicContact CD1-CG 4.04Å; D205-K235 PolarHBondContact O-NZ 3.16Å; D205-K235 IonicContact OD1-NZ 3.8Å; D205-K235 PolarHBondContact OD1-NZ 3.25Å; R207-K235 WeakPolarHBondContact O-CD 3.48Å; R207-K235 WeakPolarHBondContact O-CE 3.38Å; R207-K235 PolarHBondContact O-NZ 2.84Å; L208-K235 HydrophobicContact CD2-CB 4.29Å; L208-K235 HydrophobicContact CD2-CD 4.26Å; A231-K235 PolarHBondContact O-N 2.71Å; A231-K235 VanDerWaalsContact O-N 3.08Å; L232-K235 WeakPolarHBondContact O-CB 3.46Å; L232-K235 PolarHBondContact O-N 2.88Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 2.93Å; K235-Y237 VanDerWaalsContact C-N 3.29Å; K235-Y237 PolarHBondContact O-N 3.26Å; K235-A238 PolarHBondContact O-N 3.32Å; K235-K239 PolarHBondContact O-N 3.46Å; K235-Y244 WeakPolarHBondContact CA-OH 3.35Å; K235-Y244 WeakPolarHBondContact CB-OH 3.25Å; K235-Y244 HydrophobicContact CG-CE2 4.46Å; K235-Y244 WeakPolarHBondContact CG-OH 3.39Å
236	A	98.1	Very high	96.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.3	-37	179.3	0	0	0	0	0	111.6	F191 F193 V202 I204 L232 L233 E234 K239 L240	F191-A236 HydrophobicContact CB-CB 4.04Å; F191-A236 HydrophobicContact CD2-CB 3.45Å; F191-A236 VanDerWaalsContact CD2-CB 3.45Å; F191-A236 HydrophobicContact CE2-CB 4.23Å; F191-A236 HydrophobicContact CG-CB 4.01Å; F193-A236 HydrophobicContact CE2-CB 3.81Å; F193-A236 HydrophobicContact CZ-CB 4.06Å; V202-A236 HydrophobicContact CG1-CB 4.22Å; I204-A236 HydrophobicContact CD1-CB 4.12Å; I204-A236 HydrophobicContact CG1-CB 4.38Å; I204-A236 HydrophobicContact CG2-CB 3.98Å; L232-A236 PolarHBondContact O-N 3.42Å; L233-A236 PolarHBondContact O-N 3.47Å; L233-A236 VanDerWaalsContact O-N 3.12Å; E234-A236 PolarHBondContact O-N 3.06Å; A236-K239 PolarHBondContact O-N 3.01Å; A236-L240 PolarHBondContact O-N 2.96Å
237	Y	97.7	Very high	96.5	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70.7	-37.2	175.3	-160.3	-108.5	0	0	0	112.5	W155 L156 F193 L233 E234 K235 L240 N241 L247 D258	W155-Y237 AromaticContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CH2-CE1 3.68Å; W155-Y237 HydrophobicContact CZ2-CE1 4.39Å; W155-Y237 HydrophobicContact CZ3-CE1 4.27Å; L156-Y237 HydrophobicContact CD1-CD1 4.05Å; L156-Y237 HydrophobicContact CD1-CE1 3.95Å; L156-Y237 HydrophobicContact CD1-CG 4.41Å; L156-Y237 HydrophobicContact CD2-CD1 3.53Å; L156-Y237 HydrophobicContact CD2-CE1 4.05Å; L156-Y237 HydrophobicContact CD2-CG 4.15Å; L156-Y237 HydrophobicContact CG-CD1 4.4Å; F193-Y237 AromaticContact CD1-CD2 3.73Å; F193-Y237 HydrophobicContact CD1-CD2 3.73Å; F193-Y237 HydrophobicContact CD1-CE2 4.2Å; F193-Y237 AromaticContact CE1-CD2 3.61Å; F193-Y237 HydrophobicContact CE1-CD2 3.61Å; F193-Y237 HydrophobicContact CE1-CE2 4.45Å; F193-Y237 HydrophobicContact CE1-CG 4.39Å; F193-Y237 HydrophobicContact CG-CD2 4.31Å; F193-Y237 HydrophobicContact CZ-CD2 4.09Å; L233-Y237 WeakPolarHBondContact O-CB 3.36Å; L233-Y237 PolarHBondContact O-N 2.59Å; E234-Y237 CarbonylContact O-C 3.55Å; E234-Y237 PolarHBondContact O-N 3.31Å; K235-Y237 VanDerWaalsContact C-N 3.29Å; K235-Y237 PolarHBondContact O-N 3.26Å; Y237-L240 HydrophobicContact CD2-CD2 4.46Å; Y237-L240 WeakPolarHBondContact O-CB 3.36Å; Y237-L240 PolarHBondContact O-N 3.1Å; Y237-N241 WeakPolarHBondContact CE1-ND2 3.49Å; Y237-N241 PolarHBondContact O-N 3.19Å; Y237-N241 PolarHBondContact O-ND2 3.11Å; Y237-L247 HydrophobicContact CD1-CD1 4.14Å; Y237-L247 HydrophobicContact CD1-CD2 3.48Å; Y237-L247 VanDerWaalsContact CD1-CD2 3.48Å; Y237-L247 HydrophobicContact CD1-CG 4.45Å; Y237-L247 HydrophobicContact CE1-CD2 3.83Å; Y237-D258 HydrophobicContact CE2-CB 3.79Å; Y237-D258 WeakPolarHBondContact CE2-OD2 3.36Å; Y237-D258 PolarHBondContact OH-OD2 2.9Å; Y237-D258 VanDerWaalsContact OH-OD2 3.1Å
238	A	97.8	Very high	96.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-43.9	171.6	0	0	0	0	0	111.3	F105 E234 K235 L240 N241 G242 C243 Y244 L247	F105-A238 HydrophobicContact CZ-CB 4.05Å; E234-A238 WeakPolarHBondContact O-CB 3.25Å; E234-A238 PolarHBondContact O-N 2.97Å; K235-A238 PolarHBondContact O-N 3.32Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.16Å; A238-N241 CarbonylContact O-C 3.51Å; A238-N241 VanDerWaalsContact O-C 3.32Å; A238-N241 PolarHBondContact O-N 3.17Å; A238-G242 CarbonylContact O-C 3.57Å; A238-G242 PolarHBondContact O-N 2.82Å; A238-C243 PolarHBondContact O-N 2.89Å; A238-Y244 HydrophobicContact CB-CD1 3.81Å; A238-Y244 HydrophobicContact CB-CD2 3.96Å; A238-Y244 HydrophobicContact CB-CE1 4.05Å; A238-Y244 HydrophobicContact CB-CE2 4.18Å; A238-Y244 HydrophobicContact CB-CG 3.78Å; A238-L247 HydrophobicContact CB-CD1 3.83Å; A238-L247 HydrophobicContact CB-CG 4.35Å
239	K	97.5	Very high	95.8	Very high	6 Å²	6	9.6 Å²	9.6	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-57.3	-46.7	172.8	172.7	173.7	-178.5	172.5	0	111.8	D102 F105 V202 L203 I204 K235 A236 N241 G242	D102-K239 IonicContact OD1-NZ 2.72Å; D102-K239 PolarHBondContact OD1-NZ 3.49Å; D102-K239 WeakPolarHBondContact OD2-CD 3.43Å; D102-K239 WeakPolarHBondContact OD2-CE 3.42Å; D102-K239 IonicContact OD2-NZ 3.86Å; D102-K239 PolarHBondContact OD2-NZ 2.85Å; F105-K239 HydrophobicContact CB-CB 4.12Å; F105-K239 HydrophobicContact CB-CD 3.7Å; F105-K239 HydrophobicContact CB-CG 3.8Å; F105-K239 HydrophobicContact CD1-CB 4.06Å; F105-K239 HydrophobicContact CD2-CB 3.76Å; F105-K239 HydrophobicContact CD2-CG 4Å; F105-K239 HydrophobicContact CE1-CB 4.37Å; F105-K239 VanDerWaalsContact CE2-CA 3.49Å; F105-K239 HydrophobicContact CE2-CB 4.1Å; F105-K239 HydrophobicContact CG-CB 3.72Å; F105-K239 HydrophobicContact CG-CD 4.27Å; F105-K239 HydrophobicContact CG-CG 3.94Å; F105-K239 HydrophobicContact CZ-CB 4.39Å; V202-K239 HydrophobicContact CG1-CD 4.02Å; V202-K239 HydrophobicContact CG1-CG 4.41Å; L203-K239 PolarHBondContact O-NZ 3.27Å; I204-K239 HydrophobicContact CG2-CB 4.28Å; I204-K239 HydrophobicContact CG2-CD 3.75Å; K235-K239 PolarHBondContact O-N 3.46Å; A236-K239 PolarHBondContact O-N 3.01Å; K239-N241 PolarHBondContact O-N 3.21Å; K239-G242 PolarHBondContact O-N 3.06Å; K239-G242 VanDerWaalsContact O-N 3.11Å
240	L	95	Very high	95.5	Very high	15 Å²	15	11.3 Å²	11.3	8%	0.079	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-35.8	-179.5	-168.4	59.6	0	0	0	112.2	F193 R195 V200 V202 A236 Y237 A238	F193-L240 HydrophobicContact CB-CD2 3.65Å; F193-L240 HydrophobicContact CD2-CD2 3.71Å; F193-L240 HydrophobicContact CG-CD2 3.77Å; R195-L240 VanDerWaalsContact CD-CD2 3.48Å; R195-L240 HydrophobicContact CG-CD1 4.14Å; R195-L240 HydrophobicContact CG-CD2 3.73Å; R195-L240 HydrophobicContact CG-CG 4.26Å; V200-L240 HydrophobicContact CG2-CD1 4.28Å; V202-L240 HydrophobicContact CG2-CD1 4Å; V202-L240 HydrophobicContact CG2-CD2 4.48Å; A236-L240 PolarHBondContact O-N 2.96Å; Y237-L240 HydrophobicContact CD2-CD2 4.46Å; Y237-L240 WeakPolarHBondContact O-CB 3.36Å; Y237-L240 PolarHBondContact O-N 3.1Å; A238-L240 VanDerWaalsContact C-N 3.33Å; A238-L240 PolarHBondContact O-N 3.16Å
241	N	95.8	Very high	95.3	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	15	177.4	-66.1	-70.6	0	0	0	113.5	R195 Y237 A238 K239 C243 H246 L247 R472 K473	R195-N241 PolarHBondContact NH1-OD1 3.32Å; Y237-N241 WeakPolarHBondContact CE1-ND2 3.49Å; Y237-N241 PolarHBondContact O-N 3.19Å; Y237-N241 PolarHBondContact O-ND2 3.11Å; A238-N241 CarbonylContact O-C 3.51Å; A238-N241 VanDerWaalsContact O-C 3.32Å; A238-N241 PolarHBondContact O-N 3.17Å; K239-N241 PolarHBondContact O-N 3.21Å; N241-C243 PolarHBondContact O-N 3.35Å; N241-H246 WeakPolarHBondContact O-CB 3.3Å; N241-H246 PolarHBondContact O-ND1 2.79Å; N241-L247 HydrophobicContact CB-CD2 3.82Å; N241-R472 HydrophobicContact CB-CG 4.19Å; N241-R472 WeakPolarHBondContact OD1-CD 3.4Å; N241-K473 WeakPolarHBondContact O-CA 3.28Å
242	G	95.6	Very high	95.2	Very high	30 Å²	30	12.7 Å²	12.7	31%	0.309	10%	0.098	S	C	.	.	S	Bend	trans	89.8	-40.6	172.4	0	0	0	0	0	115.9	F105 A238 K239	F105-G242 WeakPolarHBondContact CE2-O 3.42Å; A238-G242 CarbonylContact O-C 3.57Å; A238-G242 PolarHBondContact O-N 2.82Å; K239-G242 PolarHBondContact O-N 3.06Å; K239-G242 VanDerWaalsContact O-N 3.11Å
243	C	96.7	Very high	95	Very high	8 Å²	8	13.5 Å²	13.5	5%	0.054	10%	0.104	C	C	.	.	S	Bend	trans	-163.4	167.7	174.9	66.6	0	0	0	0	111.6	K110 A111 A238 N241 A245 H246	K110-C243 WeakPolarHBondContact O-CB 3.3Å; A111-C243 CarbonylContact O-C 3.59Å; A111-C243 VanDerWaalsContact O-CA 3.27Å; A111-C243 WeakPolarHBondContact O-CA 3.39Å; A111-C243 VanDerWaalsContact O-CB 3.3Å; A111-C243 WeakPolarHBondContact O-CB 3.27Å; A238-C243 PolarHBondContact O-N 2.89Å; N241-C243 PolarHBondContact O-N 3.35Å; C243-A245 VanDerWaalsContact C-N 3.33Å; C243-A245 PolarHBondContact O-N 2.73Å; C243-H246 PolarHBondContact O-N 2.79Å; C243-H246 VanDerWaalsContact SG-CD2 3.52Å
244	Y	96.9	Very high	94.9	Very high	1 Å²	1	14 Å²	14	0%	0.004	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-60.8	-39.8	175.6	-80.1	-87.2	0	0	0	112.2	F105 A111 I112 W124 L151 P209 F219 E234 K235 A238 H246 L247	F105-Y244 HydrophobicContact CE1-CE2 4.2Å; F105-Y244 HydrophobicContact CZ-CD2 4.31Å; F105-Y244 HydrophobicContact CZ-CE2 4.38Å; A111-Y244 WeakPolarHBondContact O-CD2 3.49Å; A111-Y244 PolarHBondContact O-N 2.76Å; I112-Y244 HydrophobicContact CD1-CD2 4.1Å; I112-Y244 PolarHBondContact O-N 3.06Å; W124-Y244 HydrophobicContact CH2-CE2 4.01Å; L151-Y244 HydrophobicContact CD2-CD1 4.14Å; P209-Y244 HydrophobicContact CG-CE2 3.86Å; F219-Y244 HydrophobicContact CB-CE1 4.3Å; F219-Y244 AromaticContact CD2-CD1 3.39Å; F219-Y244 HydrophobicContact CD2-CD1 3.39Å; F219-Y244 HydrophobicContact CD2-CD2 4.25Å; F219-Y244 AromaticContact CD2-CE1 3.34Å; F219-Y244 HydrophobicContact CD2-CE1 3.34Å; F219-Y244 HydrophobicContact CD2-CE2 4.22Å; F219-Y244 AromaticContact CD2-CG 3.86Å; F219-Y244 HydrophobicContact CD2-CG 3.86Å; F219-Y244 AromaticContact CD2-CZ 3.76Å; F219-Y244 AromaticContact CE2-CD1 3.53Å; F219-Y244 HydrophobicContact CE2-CD1 3.53Å; F219-Y244 AromaticContact CE2-CD2 3.75Å; F219-Y244 HydrophobicContact CE2-CD2 3.75Å; F219-Y244 AromaticContact CE2-CE1 3.85Å; F219-Y244 HydrophobicContact CE2-CE1 3.85Å; F219-Y244 HydrophobicContact CE2-CE2 4.06Å; F219-Y244 AromaticContact CE2-CG 3.46Å; F219-Y244 HydrophobicContact CE2-CG 3.46Å; F219-Y244 VanDerWaalsContact CE2-CG 3.46Å; F219-Y244 AromaticContact CG-CD1 3.99Å; F219-Y244 HydrophobicContact CG-CD1 3.99Å; F219-Y244 HydrophobicContact CG-CE1 4.05Å; F219-Y244 HydrophobicContact CZ-CD1 4.22Å; F219-Y244 HydrophobicContact CZ-CG 4.03Å; E234-Y244 HydrophobicContact CG-CD1 4.48Å; E234-Y244 HydrophobicContact CG-CE1 4.02Å; K235-Y244 WeakPolarHBondContact CA-OH 3.35Å; K235-Y244 WeakPolarHBondContact CB-OH 3.25Å; K235-Y244 HydrophobicContact CG-CE2 4.46Å; K235-Y244 WeakPolarHBondContact CG-OH 3.39Å; A238-Y244 HydrophobicContact CB-CD1 3.81Å; A238-Y244 HydrophobicContact CB-CD2 3.96Å; A238-Y244 HydrophobicContact CB-CE1 4.05Å; A238-Y244 HydrophobicContact CB-CE2 4.18Å; A238-Y244 HydrophobicContact CB-CG 3.78Å; Y244-H246 PolarHBondContact O-N 3.36Å; Y244-H246 VanDerWaalsContact O-N 3.15Å; Y244-L247 VanDerWaalsContact O-CB 3.31Å; Y244-L247 WeakPolarHBondContact O-CB 3.49Å; Y244-L247 PolarHBondContact O-N 3.43Å
245	A	95.6	Very high	94.8	Very high	13 Å²	13	13.9 Å²	13.9	11%	0.107	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-59	-29.8	-179.9	0	0	0	0	0	113.4	I112 N114 L115 C243 L247 S248	I112-A245 WeakPolarHBondContact O-CB 3.3Å; I112-A245 PolarHBondContact O-N 3.22Å; N114-A245 WeakPolarHBondContact O-CB 3.3Å; L115-A245 HydrophobicContact CD2-CB 3.79Å; L115-A245 HydrophobicContact CG-CB 3.96Å; C243-A245 VanDerWaalsContact C-N 3.33Å; C243-A245 PolarHBondContact O-N 2.73Å; A245-L247 PolarHBondContact O-N 3.5Å; A245-S248 WeakPolarHBondContact O-CB 3.42Å; A245-S248 PolarHBondContact O-N 3Å; A245-S248 PolarHBondContact O-OG 2.79Å
246	H	95.7	Very high	94.6	Very high	42 Å²	42	14 Å²	14	19%	0.194	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-73.7	-7.1	176.6	-69.7	176.5	0	0	0	113.8	N241 C243 Y244 R472 K473	N241-H246 WeakPolarHBondContact O-CB 3.3Å; N241-H246 PolarHBondContact O-ND1 2.79Å; C243-H246 PolarHBondContact O-N 2.79Å; C243-H246 VanDerWaalsContact SG-CD2 3.52Å; Y244-H246 PolarHBondContact O-N 3.36Å; Y244-H246 VanDerWaalsContact O-N 3.15Å; H246-R472 HydrophobicContact CB-CG 4.39Å; H246-R472 PolarHBondContact ND1-O 2.67Å; H246-R472 WeakPolarHBondContact O-CD 3.05Å; H246-R472 WeakPolarHBondContact O-CG 3.43Å; H246-R472 PolarHBondContact O-NH1 3.41Å; H246-K473 PolarHBondContact CE1-O 2.91Å; H246-K473 PolarHBondContact ND1-O 3.16Å
247	L	95.1	Very high	94.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-87.6	-15.7	172.9	-56.6	-171.3	0	0	0	112.6	L151 D153 W155 L156 E234 Y237 A238 N241 Y244 A245 G249	L151-L247 HydrophobicContact CD2-CB 3.99Å; L151-L247 HydrophobicContact CD2-CD1 4.33Å; D153-L247 HydrophobicContact CB-CB 4.15Å; W155-L247 PolarHBondContact NE1-O 3.28Å; L156-L247 HydrophobicContact CD2-CD1 4.48Å; E234-L247 HydrophobicContact CG-CD1 4.27Å; Y237-L247 HydrophobicContact CD1-CD1 4.14Å; Y237-L247 HydrophobicContact CD1-CD2 3.48Å; Y237-L247 VanDerWaalsContact CD1-CD2 3.48Å; Y237-L247 HydrophobicContact CD1-CG 4.45Å; Y237-L247 HydrophobicContact CE1-CD2 3.83Å; A238-L247 HydrophobicContact CB-CD1 3.83Å; A238-L247 HydrophobicContact CB-CG 4.35Å; N241-L247 HydrophobicContact CB-CD2 3.82Å; Y244-L247 VanDerWaalsContact O-CB 3.31Å; Y244-L247 WeakPolarHBondContact O-CB 3.49Å; Y244-L247 PolarHBondContact O-N 3.43Å; A245-L247 PolarHBondContact O-N 3.5Å; L247-G249 PolarHBondContact O-N 3.05Å
248	S	90.5	Very high	94.3	Very high	44 Å²	44	14.1 Å²	14.1	31%	0.308	11%	0.107	S	C	.	.	S	Bend	trans	-61.4	121.4	173	-64.1	0	0	0	0	110.5	L151 A245	L151-S248 WeakPolarHBondContact CD1-OG 3.19Å; A245-S248 WeakPolarHBondContact O-CB 3.42Å; A245-S248 PolarHBondContact O-N 3Å; A245-S248 PolarHBondContact O-OG 2.79Å
249	G	86	Confident	94.1	Very high	39 Å²	39	14.1 Å²	14.1	40%	0.402	11%	0.107	S	C	.	.	S	Bend	trans	73.5	120.5	-178.9	0	0	0	0	0	113.1	G152 L247 R472	G152-G249 PolarHBondContact O-N 2.74Å; L247-G249 PolarHBondContact O-N 3.05Å; G249-R472 VanDerWaalsContact O-CZ 3.31Å; G249-R472 PolarHBondContact O-NH1 3.24Å; G249-R472 PolarHBondContact O-NH2 2.76Å
250	G	88.3	Confident	93.8	Very high	35 Å²	35	13.8 Å²	13.8	36%	0.361	11%	0.106	S	C	.	.			trans	-175.2	178.1	177.9	0	0	0	0	0	110.7
251	S	91.4	Very high	93.5	Very high	27 Å²	27	13.1 Å²	13.1	19%	0.189	10%	0.102	C	C	.	.			trans	-110.2	155.9	176.5	72.6	0	0	0	0	111.5	S253 E254 E392	S251-S253 PolarHBondContact O-N 3.25Å; S251-E254 PolarHBondContact N-OE1 3.38Å; S251-E254 PolarHBondContact O-N 2.97Å; S251-E254 VanDerWaalsContact O-N 3.12Å; S251-E254 PolarHBondContact OG-N 2.9Å; S251-E392 WeakPolarHBondContact CB-OE1 3.33Å
252	Q	93.5	Very high	93.2	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-28.9	176.4	-58.8	179.3	74	0	0	110.6	W155 V159 E254 A255 M256 C294 A314 Y315 E392	W155-Q252 HydrophobicContact CB-CG 4.49Å; V159-Q252 HydrophobicContact CG2-CB 3.86Å; V159-Q252 HydrophobicContact CG2-CG 4.37Å; Q252-E254 VanDerWaalsContact C-N 3.26Å; Q252-E254 PolarHBondContact O-N 3.47Å; Q252-A255 PolarHBondContact O-N 3.43Å; Q252-M256 HydrophobicContact CB-CE 4.01Å; Q252-M256 WeakPolarHBondContact O-CB 3.02Å; Q252-M256 VanDerWaalsContact O-CG 3.29Å; Q252-M256 WeakPolarHBondContact O-CG 3.34Å; Q252-M256 PolarHBondContact O-N 3.12Å; Q252-C294 PolarHBondContact NE2-O 3.36Å; Q252-A314 VanDerWaalsContact CD-CB 3.47Å; Q252-A314 HydrophobicContact CG-CB 3.68Å; Q252-Y315 PolarHBondContact OE1-O 3.28Å; Q252-E392 WeakPolarHBondContact CB-OE2 3.39Å; Q252-E392 PolarHBondContact N-OE2 2.86Å; Q252-E392 VanDerWaalsContact N-OE2 3.1Å
253	S	94.5	Very high	93	Very high	17 Å²	17	11.7 Å²	11.7	12%	0.119	9%	0.087	C	C	.	.	H	α-helix	trans	-52.2	-45.2	172.3	-61.7	0	0	0	0	111.8	S251 A255 M256 E257 C264 E392	S251-S253 PolarHBondContact O-N 3.25Å; S253-A255 VanDerWaalsContact C-N 3.35Å; S253-A255 PolarHBondContact O-N 3.08Å; S253-M256 PolarHBondContact O-N 3.2Å; S253-E257 WeakPolarHBondContact O-CG 3.43Å; S253-E257 PolarHBondContact O-N 3.32Å; S253-C264 VanDerWaalsContact CB-CB 3.44Å; S253-C264 WeakPolarHBondContact OG-CB 3.43Å; S253-E392 VanDerWaalsContact CB-OE1 3.26Å; S253-E392 WeakPolarHBondContact CB-OE1 3.24Å; S253-E392 PolarHBondContact N-OE1 2.86Å; S253-E392 PolarHBondContact OG-OE1 3.3Å
254	E	94.9	Very high	92.9	Very high	11 Å²	11	11.4 Å²	11.4	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-46	-179.9	-68.9	-175.7	-114.5	0	0	112.2	W155 S251 Q252 D258 R472 R517	W155-E254 HydrophobicContact CE3-CB 4.29Å; W155-E254 HydrophobicContact CH2-CB 4.22Å; W155-E254 HydrophobicContact CZ3-CB 3.62Å; S251-E254 PolarHBondContact N-OE1 3.38Å; S251-E254 PolarHBondContact O-N 2.97Å; S251-E254 VanDerWaalsContact O-N 3.12Å; S251-E254 PolarHBondContact OG-N 2.9Å; Q252-E254 VanDerWaalsContact C-N 3.26Å; Q252-E254 PolarHBondContact O-N 3.47Å; E254-D258 PolarHBondContact O-N 3.37Å; E254-D258 VanDerWaalsContact O-N 3.13Å; E254-R472 IonicContact OE1-CZ 3.1Å; E254-R472 IonicContact OE1-NH2 2.86Å; E254-R472 PolarHBondContact OE1-NH2 2.89Å; E254-R472 IonicContact OE2-CZ 3.63Å; E254-R472 VanDerWaalsContact OE2-CZ 3.3Å; E254-R472 IonicContact OE2-NE 3.7Å; E254-R472 PolarHBondContact OE2-NE 3.38Å; E254-R472 IonicContact OE2-NH2 3.37Å; E254-R472 PolarHBondContact OE2-NH2 2.86Å; E254-R517 HydrophobicContact CG-CB 4.01Å; E254-R517 PolarHBondContact O-NH1 3.19Å; E254-R517 PolarHBondContact O-NH2 2.83Å
255	A	95.4	Very high	92.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.1	-39.4	-179.5	0	0	0	0	0	111.7	W155 L156 V159 Q252 S253 E257 D258 L259	W155-A255 HydrophobicContact CE3-CB 3.6Å; W155-A255 HydrophobicContact CZ3-CB 3.62Å; L156-A255 HydrophobicContact CD1-CB 3.9Å; V159-A255 HydrophobicContact CB-CB 3.81Å; V159-A255 HydrophobicContact CG1-CB 4.21Å; V159-A255 HydrophobicContact CG2-CB 3.76Å; Q252-A255 PolarHBondContact O-N 3.43Å; S253-A255 VanDerWaalsContact C-N 3.35Å; S253-A255 PolarHBondContact O-N 3.08Å; A255-E257 VanDerWaalsContact C-N 3.31Å; A255-E257 PolarHBondContact O-N 3.35Å; A255-D258 PolarHBondContact O-N 3.29Å; A255-L259 HydrophobicContact CB-CD1 4.42Å; A255-L259 WeakPolarHBondContact O-CB 3.34Å; A255-L259 WeakPolarHBondContact O-CD1 3.48Å; A255-L259 WeakPolarHBondContact O-CG 3.49Å; A255-L259 PolarHBondContact O-N 3.26Å
256	M	94.7	Very high	92.5	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-43.5	178.3	-74.7	-179.5	-171	0	0	110.9	V159 Q252 S253 T260 L291 C394	V159-M256 HydrophobicContact CB-CG 4.36Å; V159-M256 HydrophobicContact CG1-CB 4.32Å; V159-M256 HydrophobicContact CG1-CG 3.7Å; V159-M256 HydrophobicContact CG2-CE 4.11Å; V159-M256 HydrophobicContact CG2-CG 3.64Å; Q252-M256 HydrophobicContact CB-CE 4.01Å; Q252-M256 WeakPolarHBondContact O-CB 3.02Å; Q252-M256 VanDerWaalsContact O-CG 3.29Å; Q252-M256 WeakPolarHBondContact O-CG 3.34Å; Q252-M256 PolarHBondContact O-N 3.12Å; S253-M256 PolarHBondContact O-N 3.2Å; M256-T260 VanDerWaalsContact O-CB 3.28Å; M256-T260 WeakPolarHBondContact O-CB 3.21Å; M256-T260 VanDerWaalsContact O-CG2 3.3Å; M256-T260 WeakPolarHBondContact O-CG2 3.28Å; M256-T260 PolarHBondContact O-N 3.38Å; M256-T260 PolarHBondContact O-OG1 3.36Å; M256-L291 HydrophobicContact CE-CB 4.37Å; M256-L291 HydrophobicContact SD-CB 4.06Å; M256-C394 HydrophobicContact CB-CB 3.7Å; M256-C394 HydrophobicContact CG-CB 4.1Å; M256-C394 HydrophobicContact SD-CB 3.51Å; M256-C394 VanDerWaalsContact SD-CB 3.51Å
257	E	94.4	Very high	92.4	Very high	3 Å²	3	12.1 Å²	12.1	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-47.6	177	-65.2	177.4	153.1	0	0	111.8	S253 A255 L259 T260 G261 G262 C264 M467 R517 R548	S253-E257 WeakPolarHBondContact O-CG 3.43Å; S253-E257 PolarHBondContact O-N 3.32Å; A255-E257 VanDerWaalsContact C-N 3.31Å; A255-E257 PolarHBondContact O-N 3.35Å; E257-L259 PolarHBondContact O-N 3.02Å; E257-T260 PolarHBondContact O-N 3.43Å; E257-G261 WeakPolarHBondContact O-CA 3.35Å; E257-G261 PolarHBondContact O-N 3.23Å; E257-G262 WeakPolarHBondContact CG-O 3.3Å; E257-C264 HydrophobicContact CG-CB 4.41Å; E257-C264 VanDerWaalsContact CG-SG 3.58Å; E257-C264 PolarHBondContact OE1-N 3.19Å; E257-M467 WeakPolarHBondContact OE2-CE 3.38Å; E257-R517 IonicContact OE2-CZ 3.81Å; E257-R517 IonicContact OE2-NE 3.5Å; E257-R517 IonicContact OE2-NH2 4Å; E257-R517 PolarHBondContact OE2-NH2 2.78Å; E257-R548 VanDerWaalsContact CD-NH2 3.33Å; E257-R548 IonicContact OE1-CZ 2.79Å; E257-R548 IonicContact OE1-NH2 2.74Å; E257-R548 PolarHBondContact OE1-NH2 3.48Å; E257-R548 IonicContact OE2-NH2 3.05Å
258	D	95.2	Very high	92.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.2	-21.2	-177.1	-74.6	22.2	0	0	0	112.7	F193 W194 R195 Y237 E254 A255 R517	F193-D258 CarbonylContact C-O 3.53Å; F193-D258 WeakPolarHBondContact CA-O 3.33Å; W194-D258 PolarHBondContact N-O 3.03Å; W194-D258 WeakPolarHBondContact O-CA 3.47Å; R195-D258 IonicContact CZ-OD2 3.97Å; R195-D258 IonicContact NH1-OD2 2.68Å; R195-D258 PolarHBondContact NH1-OD2 3.46Å; Y237-D258 HydrophobicContact CE2-CB 3.79Å; Y237-D258 WeakPolarHBondContact CE2-OD2 3.36Å; Y237-D258 PolarHBondContact OH-OD2 2.9Å; Y237-D258 VanDerWaalsContact OH-OD2 3.1Å; E254-D258 PolarHBondContact O-N 3.37Å; E254-D258 VanDerWaalsContact O-N 3.13Å; A255-D258 PolarHBondContact O-N 3.29Å; D258-R517 VanDerWaalsContact CG-NH1 3.25Å; D258-R517 IonicContact OD1-CZ 2.87Å; D258-R517 VanDerWaalsContact OD1-CZ 3.25Å; D258-R517 IonicContact OD1-NH1 3.46Å; D258-R517 PolarHBondContact OD1-NH1 3.09Å; D258-R517 IonicContact OD1-NH2 2.76Å; D258-R517 PolarHBondContact OD1-NH2 3.23Å; D258-R517 IonicContact OD2-NH1 3.07Å; D258-R517 PolarHBondContact OD2-NH1 3.35Å
259	L	94	Very high	92.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-99.8	-6.8	179.4	-63.5	172.5	0	0	0	113.6	L156 V159 V160 I163 V173 F193 A255 E257	L156-L259 HydrophobicContact CD1-CD1 4.27Å; V159-L259 HydrophobicContact CB-CD1 4.17Å; V159-L259 HydrophobicContact CG1-CD1 3.63Å; V160-L259 HydrophobicContact CG2-CD1 3.8Å; I163-L259 HydrophobicContact CD1-CB 4.12Å; I163-L259 HydrophobicContact CD1-CD1 4.12Å; I163-L259 HydrophobicContact CD1-CD2 4.28Å; I163-L259 HydrophobicContact CD1-CG 4.42Å; V173-L259 HydrophobicContact CG1-CD2 3.65Å; V173-L259 HydrophobicContact CG2-CB 4.27Å; V173-L259 HydrophobicContact CG2-CD2 4.06Å; V173-L259 VanDerWaalsContact CG2-O 3.23Å; V173-L259 WeakPolarHBondContact CG2-O 3.48Å; F193-L259 HydrophobicContact CD1-CD2 3.89Å; F193-L259 HydrophobicContact CE1-CD2 3.88Å; A255-L259 HydrophobicContact CB-CD1 4.42Å; A255-L259 WeakPolarHBondContact O-CB 3.34Å; A255-L259 WeakPolarHBondContact O-CD1 3.48Å; A255-L259 WeakPolarHBondContact O-CG 3.49Å; A255-L259 PolarHBondContact O-N 3.26Å; E257-L259 PolarHBondContact O-N 3.02Å
260	T	90	Very high	92.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-137.3	-21.6	-176	71.2	0	0	0	0	115.4	I163 L169 M256 E257 G262 L291 L396 S400	I163-T260 HydrophobicContact CG2-CG2 4.37Å; L169-T260 HydrophobicContact CD1-CG2 4.34Å; M256-T260 VanDerWaalsContact O-CB 3.28Å; M256-T260 WeakPolarHBondContact O-CB 3.21Å; M256-T260 VanDerWaalsContact O-CG2 3.3Å; M256-T260 WeakPolarHBondContact O-CG2 3.28Å; M256-T260 PolarHBondContact O-N 3.38Å; M256-T260 PolarHBondContact O-OG1 3.36Å; E257-T260 PolarHBondContact O-N 3.43Å; T260-G262 PolarHBondContact O-N 2.87Å; T260-G262 PolarHBondContact OG1-N 2.87Å; T260-L291 HydrophobicContact CG2-CD1 3.69Å; T260-L396 HydrophobicContact CG2-CD2 3.78Å; T260-S400 WeakPolarHBondContact O-CB 3.32Å; T260-S400 PolarHBondContact O-OG 2.56Å
261	G	89.1	Confident	92.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	69.3	12.7	-168.2	0	0	0	0	0	114.3	W194 E257	W194-G261 VanDerWaalsContact CD1-CA 3.41Å; E257-G261 WeakPolarHBondContact O-CA 3.35Å; E257-G261 PolarHBondContact O-N 3.23Å
262	G	89.5	Confident	92.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	-75.7	-178.3	173.1	0	0	0	0	0	113.4	E257 T260 H395 R548	E257-G262 WeakPolarHBondContact CG-O 3.3Å; T260-G262 PolarHBondContact O-N 2.87Å; T260-G262 PolarHBondContact OG1-N 2.87Å; G262-H395 CarbonylContact C-O 3.6Å; G262-H395 WeakPolarHBondContact CA-O 3.49Å; G262-R548 PolarHBondContact O-NH1 3.2Å
263	I	91.6	Very high	92.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135	175.6	-176.3	164.1	0	0	0	110	C394 H395 L463 T520 R548 F550	I263-C394 CarbonylContact O-C 3.57Å; I263-C394 WeakPolarHBondContact O-CA 3.41Å; I263-H395 HydrophobicContact CG2-CB 3.96Å; I263-H395 PolarHBondContact N-O 3.45Å; I263-H395 PolarHBondContact O-N 3.21Å; I263-L463 HydrophobicContact CB-CD2 4.44Å; I263-L463 HydrophobicContact CD1-CD2 4.15Å; I263-L463 HydrophobicContact CD1-CG 3.95Å; I263-L463 HydrophobicContact CG1-CD2 4.09Å; I263-L463 HydrophobicContact CG1-CG 4.35Å; I263-L463 HydrophobicContact CG2-CD2 3.53Å; I263-L463 HydrophobicContact CG2-CG 4.44Å; I263-T520 HydrophobicContact CG1-CG2 4.2Å; I263-R548 HydrophobicContact CD1-CB 4.23Å; I263-F550 HydrophobicContact CB-CD2 4.13Å; I263-F550 HydrophobicContact CB-CE1 4.32Å; I263-F550 HydrophobicContact CB-CE2 3.86Å; I263-F550 HydrophobicContact CB-CZ 3.97Å; I263-F550 HydrophobicContact CD1-CD2 3.78Å; I263-F550 HydrophobicContact CD1-CE2 4.08Å; I263-F550 HydrophobicContact CD1-CG 4.48Å; I263-F550 HydrophobicContact CG2-CB 4.38Å; I263-F550 HydrophobicContact CG2-CD1 3.53Å; I263-F550 HydrophobicContact CG2-CD2 3.75Å; I263-F550 HydrophobicContact CG2-CE1 3.58Å; I263-F550 HydrophobicContact CG2-CE2 3.81Å; I263-F550 HydrophobicContact CG2-CG 3.64Å; I263-F550 HydrophobicContact CG2-CZ 3.74Å
264	C	94.2	Very high	92.7	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.02	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.3	-173.6	-65.8	0	0	0	0	113.6	S253 E257 V393 C394 T520	S253-C264 VanDerWaalsContact CB-CB 3.44Å; S253-C264 WeakPolarHBondContact OG-CB 3.43Å; E257-C264 HydrophobicContact CG-CB 4.41Å; E257-C264 VanDerWaalsContact CG-SG 3.58Å; E257-C264 PolarHBondContact OE1-N 3.19Å; C264-V393 CarbonylContact C-O 3.59Å; C264-V393 WeakPolarHBondContact CA-O 3.19Å; C264-C394 WeakPolarHBondContact SG-CB 3.42Å; C264-C394 VanDerWaalsContact SG-SG 3.62Å; C264-T520 WeakPolarHBondContact O-CB 3.47Å; C264-T520 WeakPolarHBondContact O-CG2 3.49Å; C264-T520 PolarHBondContact O-OG1 2.97Å
265	L	92.8	Very high	92.5	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.058	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.2	168.8	-179.3	65.5	0	0	0	110	L267 E392 V393 L463	L265-L267 HydrophobicContact CD2-CD2 3.78Å; L265-L267 HydrophobicContact CD2-CG 4.37Å; L265-L267 HydrophobicContact CG-CD2 4Å; L265-L267 HydrophobicContact CG-CG 4.4Å; L265-E392 CarbonylContact O-C 3.58Å; L265-E392 WeakPolarHBondContact O-CA 3.48Å; L265-V393 PolarHBondContact N-O 3.35Å; L265-V393 PolarHBondContact O-N 2.9Å; L265-L463 HydrophobicContact CD1-CD1 4.2Å
266	S	92.6	Very high	92.3	Very high	45 Å²	45	44.3 Å²	44.3	32%	0.315	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.8	172.5	-176.1	0	0	0	0	110.5	R390	S266-R390 WeakPolarHBondContact OG-CD 3.35Å
267	L	92.9	Very high	92.2	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	114.8	177.3	-59	176.2	0	0	0	109.5	L265 P275 L278 Y285 R390 V391 V393	L265-L267 HydrophobicContact CD2-CD2 3.78Å; L265-L267 HydrophobicContact CD2-CG 4.37Å; L265-L267 HydrophobicContact CG-CD2 4Å; L265-L267 HydrophobicContact CG-CG 4.4Å; L267-P275 HydrophobicContact CD2-CG 4.43Å; L267-L278 HydrophobicContact CD1-CD1 4Å; L267-Y285 HydrophobicContact CD1-CE2 3.9Å; L267-R390 CarbonylContact O-C 3.43Å; L267-R390 WeakPolarHBondContact O-CA 3.41Å; L267-V391 HydrophobicContact CB-CB 4.4Å; L267-V391 PolarHBondContact N-O 2.81Å; L267-V391 PolarHBondContact O-N 3.07Å; L267-V393 HydrophobicContact CD1-CG2 4.18Å
268	E	93.8	Very high	92.1	Very high	57 Å²	57	47.3 Å²	47.3	27%	0.266	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.1	173.2	-64	-56.1	139.4	0	0	110.6	E273 R274	E268-E273 HydrophobicContact CB-CB 3.79Å; E268-E273 HydrophobicContact CG-CB 4.47Å; E268-R274 VanDerWaalsContact O-CA 3.27Å; E268-R274 WeakPolarHBondContact O-CA 3.37Å
269	L	95.4	Very high	92.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.248	C	C	.	.			trans	-96.6	-7.9	-178.4	-62.6	-178.5	0	0	0	113.2	L278 F384 F388 S389 V391	L269-L278 HydrophobicContact CD2-CD1 4.43Å; L269-L278 HydrophobicContact CD2-CD2 3.36Å; L269-F384 HydrophobicContact CD1-CD1 4.41Å; L269-F384 HydrophobicContact CD1-CE1 3.85Å; L269-F384 HydrophobicContact CD1-CZ 3.99Å; L269-F384 HydrophobicContact CD2-CE1 4.45Å; L269-F388 WeakPolarHBondContact CB-O 3.23Å; L269-F388 HydrophobicContact CD1-CB 3.6Å; L269-F388 WeakPolarHBondContact CD1-O 3.17Å; L269-S389 WeakPolarHBondContact CB-O 3.2Å; L269-S389 PolarHBondContact N-O 3.14Å; L269-V391 HydrophobicContact CD1-CG2 3.84Å; L269-V391 HydrophobicContact CD2-CG2 3.93Å; L269-V391 HydrophobicContact CG-CG2 4.09Å
270	N	92.1	Very high	92	Very high	58 Å²	58	52.3 Å²	52.3	31%	0.31	27%	0.268	S	S	.	.	S	Bend	trans	-61.6	149.8	177	79.5	69.3	0	0	0	111.2	K272 E273 R274	N270-K272 PolarHBondContact O-N 3.48Å; N270-K272 WeakPolarHBondContact OD1-CB 3.39Å; N270-K272 PolarHBondContact OD1-N 2.98Å; N270-E273 PolarHBondContact ND2-OE2 3.38Å; N270-E273 PolarHBondContact O-N 3.13Å; N270-E273 PolarHBondContact OD1-N 3.01Å; N270-E273 VanDerWaalsContact OD1-N 3.14Å; N270-R274 WeakPolarHBondContact O-CB 3.38Å; N270-R274 PolarHBondContact O-N 2.99Å
271	Q	89.1	Confident	92	Very high	176 Å²	176	54 Å²	54	82%	0.822	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.5	-171.5	-171	177.3	5.3	0	0	114.5
272	K	91.1	Very high	92.1	Very high	205 Å²	205	53.9 Å²	53.9	89%	0.891	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-34.7	-177.4	-65.2	-179.6	179.4	176.2	0	112.6	N270	N270-K272 PolarHBondContact O-N 3.48Å; N270-K272 WeakPolarHBondContact OD1-CB 3.39Å; N270-K272 PolarHBondContact OD1-N 2.98Å
273	E	90.9	Very high	92.1	Very high	106 Å²	106	55.8 Å²	55.8	50%	0.495	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-17.2	-171.5	-66.5	176	108	0	0	113.3	E268 N270	E268-E273 HydrophobicContact CB-CB 3.79Å; E268-E273 HydrophobicContact CG-CB 4.47Å; N270-E273 PolarHBondContact ND2-OE2 3.38Å; N270-E273 PolarHBondContact O-N 3.13Å; N270-E273 PolarHBondContact OD1-N 3.01Å; N270-E273 VanDerWaalsContact OD1-N 3.14Å
274	R	93.7	Very high	91.7	Very high	86 Å²	86	59.2 Å²	59.2	33%	0.325	30%	0.301	S	S	.	.	S	Bend	trans	-57.7	125.4	-179.1	-177.4	174.3	65.7	-155.4	5.8	112.2	E268 N270 S276 L278 V385	E268-R274 VanDerWaalsContact O-CA 3.27Å; E268-R274 WeakPolarHBondContact O-CA 3.37Å; N270-R274 WeakPolarHBondContact O-CB 3.38Å; N270-R274 PolarHBondContact O-N 2.99Å; R274-S276 PolarHBondContact O-N 3.42Å; R274-L278 HydrophobicContact CG-CB 4.36Å; R274-L278 HydrophobicContact CG-CD2 3.87Å; R274-V385 VanDerWaalsContact NH1-CB 3.33Å; R274-V385 VanDerWaalsContact NH1-CG2 3.29Å
275	P	91	Very high	91.4	Very high	32 Å²	32	59.4 Å²	59.4	21%	0.208	30%	0.301	C	S	.	.			trans	-57.1	136.5	173.4	-23.5	32.7	0	0	0	111.8	L267 D277 L278	L267-P275 HydrophobicContact CD2-CG 4.43Å; P275-D277 WeakPolarHBondContact CB-OD1 3.46Å; P275-D277 PolarHBondContact O-N 2.74Å; P275-L278 HydrophobicContact CB-CB 4.42Å; P275-L278 WeakPolarHBondContact O-CB 3.35Å; P275-L278 PolarHBondContact O-N 3.48Å
276	S	91.2	Very high	91	Very high	129 Å²	129	60.4 Å²	60.4	90%	0.902	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.1	179.4	49.8	0	0	0	0	113.1	R274	R274-S276 PolarHBondContact O-N 3.42Å
277	D	90.9	Very high	90.1	Very high	68 Å²	68	65 Å²	65	36%	0.364	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	17.6	-178.8	63.5	-38.8	0	0	0	112.6	P275 I279 D280 Q281	P275-D277 WeakPolarHBondContact CB-OD1 3.46Å; P275-D277 PolarHBondContact O-N 2.74Å; D277-I279 VanDerWaalsContact C-N 3.26Å; D277-I279 PolarHBondContact O-N 3.09Å; D277-I279 VanDerWaalsContact O-N 3.11Å; D277-D280 WeakPolarHBondContact O-CB 3.37Å; D277-D280 PolarHBondContact O-N 2.86Å; D277-Q281 VanDerWaalsContact CG-NE2 3.34Å; D277-Q281 PolarHBondContact O-N 2.92Å; D277-Q281 PolarHBondContact OD1-NE2 2.91Å; D277-Q281 VanDerWaalsContact OD1-NE2 3.16Å; D277-Q281 PolarHBondContact OD2-NE2 3.29Å
278	L	94	Very high	89.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-49	-44.6	-174.5	174.6	67.2	0	0	0	113.1	L267 L269 R274 P275 D280 Q281 L282 Y381 V385	L267-L278 HydrophobicContact CD1-CD1 4Å; L269-L278 HydrophobicContact CD2-CD1 4.43Å; L269-L278 HydrophobicContact CD2-CD2 3.36Å; R274-L278 HydrophobicContact CG-CB 4.36Å; R274-L278 HydrophobicContact CG-CD2 3.87Å; P275-L278 HydrophobicContact CB-CB 4.42Å; P275-L278 WeakPolarHBondContact O-CB 3.35Å; P275-L278 PolarHBondContact O-N 3.48Å; L278-D280 VanDerWaalsContact C-N 3.28Å; L278-D280 PolarHBondContact O-N 2.78Å; L278-Q281 PolarHBondContact O-N 3.11Å; L278-L282 HydrophobicContact CD1-CD1 4.14Å; L278-L282 HydrophobicContact CD1-CD2 4.36Å; L278-L282 HydrophobicContact CD1-CG 3.95Å; L278-L282 HydrophobicContact CD2-CD1 4.4Å; L278-L282 HydrophobicContact CG-CD1 3.95Å; L278-L282 HydrophobicContact CG-CG 4.16Å; L278-L282 WeakPolarHBondContact O-CB 3.44Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 2.71Å; L278-Y381 HydrophobicContact CD2-CE2 4.03Å; L278-Y381 HydrophobicContact CG-CE2 4.37Å; L278-V385 HydrophobicContact CD2-CG1 3.92Å
279	I	94.7	Very high	88.2	Confident	25 Å²	25	64.9 Å²	64.9	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-34.9	-178.9	-170.1	52.4	0	0	0	112.1	D277 K283 V320 W331 M333 Y381	D277-I279 VanDerWaalsContact C-N 3.26Å; D277-I279 PolarHBondContact O-N 3.09Å; D277-I279 VanDerWaalsContact O-N 3.11Å; I279-K283 VanDerWaalsContact O-CE 3.28Å; I279-K283 WeakPolarHBondContact O-CE 3.35Å; I279-K283 VanDerWaalsContact O-CG 3.24Å; I279-K283 WeakPolarHBondContact O-CG 3.44Å; I279-K283 PolarHBondContact O-N 2.79Å; I279-K283 VanDerWaalsContact O-N 3.11Å; I279-V320 HydrophobicContact CD1-CG1 3.97Å; I279-W331 HydrophobicContact CD1-CB 3.95Å; I279-W331 HydrophobicContact CD1-CD2 3.97Å; I279-W331 HydrophobicContact CD1-CE3 4.1Å; I279-W331 HydrophobicContact CD1-CG 3.87Å; I279-W331 HydrophobicContact CG1-CB 4.34Å; I279-W331 HydrophobicContact CG1-CD2 3.93Å; I279-W331 HydrophobicContact CG1-CE3 4.42Å; I279-W331 HydrophobicContact CG1-CG 3.82Å; I279-M333 HydrophobicContact CD1-CE 3.81Å; I279-Y381 HydrophobicContact CB-CD2 4.44Å; I279-Y381 HydrophobicContact CB-CE2 4.05Å; I279-Y381 HydrophobicContact CD1-CD2 3.81Å; I279-Y381 HydrophobicContact CD1-CE2 4.2Å; I279-Y381 HydrophobicContact CD1-CG 4.24Å; I279-Y381 HydrophobicContact CG1-CD2 4.46Å
280	D	91.4	Very high	87.7	Confident	79 Å²	79	65.5 Å²	65.5	42%	0.422	33%	0.329	S	S	.	.	H	α-helix	trans	-72.4	-39	176.9	-64.5	-40.9	0	0	0	110.7	D277 L278 K283 I284	D277-D280 WeakPolarHBondContact O-CB 3.37Å; D277-D280 PolarHBondContact O-N 2.86Å; L278-D280 VanDerWaalsContact C-N 3.28Å; L278-D280 PolarHBondContact O-N 2.78Å; D280-K283 WeakPolarHBondContact O-CB 3.48Å; D280-K283 PolarHBondContact O-N 2.88Å; D280-K283 WeakPolarHBondContact OD1-CE 3.26Å; D280-K283 IonicContact OD1-NZ 2.91Å; D280-K283 PolarHBondContact OD1-NZ 2.97Å; D280-I284 WeakPolarHBondContact O-CG1 3.28Å; D280-I284 PolarHBondContact O-N 3.09Å; D280-I284 VanDerWaalsContact O-N 3.11Å
281	Q	89.5	Confident	87.6	Confident	35 Å²	35	63.2 Å²	63.2	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-47.3	172	-62.2	-173.6	9.9	0	0	112.1	D277 L278 K283 I284 Y285	D277-Q281 VanDerWaalsContact CG-NE2 3.34Å; D277-Q281 PolarHBondContact O-N 2.92Å; D277-Q281 PolarHBondContact OD1-NE2 2.91Å; D277-Q281 VanDerWaalsContact OD1-NE2 3.16Å; D277-Q281 PolarHBondContact OD2-NE2 3.29Å; L278-Q281 PolarHBondContact O-N 3.11Å; Q281-K283 VanDerWaalsContact C-N 3.3Å; Q281-K283 PolarHBondContact O-N 3.25Å; Q281-I284 CarbonylContact O-C 3.51Å; Q281-I284 WeakPolarHBondContact O-CA 3.49Å; Q281-I284 WeakPolarHBondContact O-CB 3.26Å; Q281-I284 PolarHBondContact O-N 2.94Å; Q281-Y285 HydrophobicContact CB-CD2 4.35Å; Q281-Y285 HydrophobicContact CB-CE2 3.65Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.28Å; Q281-Y285 VanDerWaalsContact O-CG 3.23Å; Q281-Y285 PolarHBondContact O-N 3.31Å; Q281-Y285 PolarHBondContact OE1-OH 2.76Å
282	L	92.8	Very high	87.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-36.3	178.6	-71.8	179.1	0	0	0	112.5	L278 Y285 A286 M292 L317 V320 M333 F384 V391	L278-L282 HydrophobicContact CD1-CD1 4.14Å; L278-L282 HydrophobicContact CD1-CD2 4.36Å; L278-L282 HydrophobicContact CD1-CG 3.95Å; L278-L282 HydrophobicContact CD2-CD1 4.4Å; L278-L282 HydrophobicContact CG-CD1 3.95Å; L278-L282 HydrophobicContact CG-CG 4.16Å; L278-L282 WeakPolarHBondContact O-CB 3.44Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 2.71Å; L282-Y285 HydrophobicContact CD2-CD2 4.34Å; L282-Y285 PolarHBondContact O-N 2.68Å; L282-A286 WeakPolarHBondContact O-CB 3.11Å; L282-A286 PolarHBondContact O-N 2.9Å; L282-M292 HydrophobicContact CD2-SD 4.31Å; L282-L317 HydrophobicContact CD2-CD2 4.06Å; L282-V320 HydrophobicContact CB-CG1 4.39Å; L282-V320 HydrophobicContact CB-CG2 4.1Å; L282-M333 HydrophobicContact CD1-SD 4.37Å; L282-F384 HydrophobicContact CD1-CE1 4.3Å; L282-V391 HydrophobicContact CD2-CG1 4.25Å
283	K	88.9	Confident	87.9	Confident	40 Å²	40	45.6 Å²	45.6	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-48.3	171.3	-70.8	166.7	-144.2	175.4	0	110.8	I279 D280 Q281 Y285 A286 Q287 V320 W331	I279-K283 VanDerWaalsContact O-CE 3.28Å; I279-K283 WeakPolarHBondContact O-CE 3.35Å; I279-K283 VanDerWaalsContact O-CG 3.24Å; I279-K283 WeakPolarHBondContact O-CG 3.44Å; I279-K283 PolarHBondContact O-N 2.79Å; I279-K283 VanDerWaalsContact O-N 3.11Å; D280-K283 WeakPolarHBondContact O-CB 3.48Å; D280-K283 PolarHBondContact O-N 2.88Å; D280-K283 WeakPolarHBondContact OD1-CE 3.26Å; D280-K283 IonicContact OD1-NZ 2.91Å; D280-K283 PolarHBondContact OD1-NZ 2.97Å; Q281-K283 VanDerWaalsContact C-N 3.3Å; Q281-K283 PolarHBondContact O-N 3.25Å; K283-Y285 VanDerWaalsContact C-N 3.32Å; K283-Y285 PolarHBondContact O-N 3.19Å; K283-A286 PolarHBondContact O-N 3.13Å; K283-Q287 VanDerWaalsContact O-CB 3.27Å; K283-Q287 WeakPolarHBondContact O-CB 3.41Å; K283-Q287 WeakPolarHBondContact O-CG 3.33Å; K283-Q287 PolarHBondContact O-N 3.36Å; K283-V320 HydrophobicContact CG-CG1 4.21Å; K283-W331 HydrophobicContact CD-CH2 3.41Å; K283-W331 VanDerWaalsContact CD-CH2 3.41Å; K283-W331 HydrophobicContact CD-CZ2 3.92Å; K283-W331 HydrophobicContact CD-CZ3 3.78Å; K283-W331 HydrophobicContact CG-CE3 4.46Å; K283-W331 HydrophobicContact CG-CH2 3.9Å; K283-W331 HydrophobicContact CG-CZ3 3.72Å
284	I	83.7	Confident	88.2	Confident	71 Å²	71	40.6 Å²	40.6	36%	0.364	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-45.2	178.7	-68.7	166.5	0	0	0	109.6	D280 Q281 Q287 R288	D280-I284 WeakPolarHBondContact O-CG1 3.28Å; D280-I284 PolarHBondContact O-N 3.09Å; D280-I284 VanDerWaalsContact O-N 3.11Å; Q281-I284 CarbonylContact O-C 3.51Å; Q281-I284 WeakPolarHBondContact O-CA 3.49Å; Q281-I284 WeakPolarHBondContact O-CB 3.26Å; Q281-I284 PolarHBondContact O-N 2.94Å; I284-Q287 CarbonylContact O-C 3.46Å; I284-Q287 VanDerWaalsContact O-C 3.26Å; I284-Q287 WeakPolarHBondContact O-CA 3.47Å; I284-Q287 PolarHBondContact O-N 2.87Å; I284-Q287 VanDerWaalsContact O-N 3.17Å; I284-R288 HydrophobicContact CG2-CG 4.09Å; I284-R288 VanDerWaalsContact CG2-CZ 3.45Å; I284-R288 VanDerWaalsContact O-CB 3.25Å; I284-R288 WeakPolarHBondContact O-CB 3.43Å; I284-R288 WeakPolarHBondContact O-CG 3.28Å; I284-R288 PolarHBondContact O-N 3.34Å
285	Y	87.5	Confident	88.2	Confident	8 Å²	8	37 Å²	37	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-43.6	178.5	-56.6	-39.1	0	0	0	112.9	L267 Q281 L282 K283 Q287 R288 M292 V393 H395	L267-Y285 HydrophobicContact CD1-CE2 3.9Å; Q281-Y285 HydrophobicContact CB-CD2 4.35Å; Q281-Y285 HydrophobicContact CB-CE2 3.65Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.28Å; Q281-Y285 VanDerWaalsContact O-CG 3.23Å; Q281-Y285 PolarHBondContact O-N 3.31Å; Q281-Y285 PolarHBondContact OE1-OH 2.76Å; L282-Y285 HydrophobicContact CD2-CD2 4.34Å; L282-Y285 PolarHBondContact O-N 2.68Å; K283-Y285 VanDerWaalsContact C-N 3.32Å; K283-Y285 PolarHBondContact O-N 3.19Å; Y285-Q287 PolarHBondContact O-N 3.31Å; Y285-R288 CarbonylContact O-C 3.26Å; Y285-R288 PolarHBondContact O-N 3.42Å; Y285-M292 VanDerWaalsContact CB-SD 3.59Å; Y285-V393 HydrophobicContact CD1-CG1 3.94Å; Y285-V393 HydrophobicContact CD2-CB 4.47Å; Y285-V393 HydrophobicContact CD2-CG1 3.93Å; Y285-V393 HydrophobicContact CD2-CG2 3.85Å; Y285-V393 HydrophobicContact CE1-CG1 4.43Å; Y285-V393 HydrophobicContact CE2-CG1 4.42Å; Y285-V393 HydrophobicContact CE2-CG2 4.14Å; Y285-V393 HydrophobicContact CG-CG1 3.69Å; Y285-V393 HydrophobicContact CG-CG2 4.45Å; Y285-H395 AromaticContact CD1-CE1 3.8Å; Y285-H395 AromaticContact CD1-NE2 3.94Å; Y285-H395 AromaticContact CE1-CE1 3.66Å; Y285-H395 AromaticContact CE1-NE2 3.61Å
286	A	83.3	Confident	88.3	Confident	32 Å²	32	36 Å²	36	26%	0.264	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-33.8	172.8	0	0	0	0	0	111.9	L282 K283 M292 V320 K410	L282-A286 WeakPolarHBondContact O-CB 3.11Å; L282-A286 PolarHBondContact O-N 2.9Å; K283-A286 PolarHBondContact O-N 3.13Å; A286-M292 HydrophobicContact CB-CE 3.93Å; A286-V320 HydrophobicContact CB-CB 4.12Å; A286-V320 HydrophobicContact CB-CG2 4.2Å; A286-K410 PolarHBondContact O-NZ 3.47Å
287	Q	74.5	Confident	88.3	Confident	140 Å²	140	34.6 Å²	34.6	65%	0.654	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.4	174.4	-68.7	175.1	2.6	0	0	114.2	K283 I284 Y285 K410	K283-Q287 VanDerWaalsContact O-CB 3.27Å; K283-Q287 WeakPolarHBondContact O-CB 3.41Å; K283-Q287 WeakPolarHBondContact O-CG 3.33Å; K283-Q287 PolarHBondContact O-N 3.36Å; I284-Q287 CarbonylContact O-C 3.46Å; I284-Q287 VanDerWaalsContact O-C 3.26Å; I284-Q287 WeakPolarHBondContact O-CA 3.47Å; I284-Q287 PolarHBondContact O-N 2.87Å; I284-Q287 VanDerWaalsContact O-N 3.17Å; Y285-Q287 PolarHBondContact O-N 3.31Å; Q287-K410 WeakPolarHBondContact O-CE 3.38Å; Q287-K410 WeakPolarHBondContact O-CG 3.01Å
288	R	74.3	Confident	88.1	Confident	61 Å²	61	32.9 Å²	32.9	23%	0.23	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	167.7	177.1	-78.9	-178.6	-179.5	-179	-4.6	111.4	I284 Y285 C290 K410	I284-R288 HydrophobicContact CG2-CG 4.09Å; I284-R288 VanDerWaalsContact CG2-CZ 3.45Å; I284-R288 VanDerWaalsContact O-CB 3.25Å; I284-R288 WeakPolarHBondContact O-CB 3.43Å; I284-R288 WeakPolarHBondContact O-CG 3.28Å; I284-R288 PolarHBondContact O-N 3.34Å; Y285-R288 CarbonylContact O-C 3.26Å; Y285-R288 PolarHBondContact O-N 3.42Å; R288-C290 PolarHBondContact O-N 2.96Å; R288-K410 WeakPolarHBondContact O-CD 3.27Å; R288-K410 WeakPolarHBondContact O-CE 3.45Å; R288-K410 PolarHBondContact O-NZ 3.48Å
289	C	72.9	Confident	87.7	Confident	9 Å²	9	39 Å²	39	6%	0.061	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	62.7	-178.2	-95.5	0	0	0	0	109.4	L396 F407 K410	C289-L396 HydrophobicContact CB-CB 4.18Å; C289-L396 HydrophobicContact CB-CD1 3.94Å; C289-L396 HydrophobicContact CB-CG 4.33Å; C289-L396 WeakPolarHBondContact O-CB 3.2Å; C289-L396 WeakPolarHBondContact O-CG 3.28Å; C289-L396 PolarHBondContact O-N 3.19Å; C289-F407 VanDerWaalsContact SG-CD1 3.59Å; C289-K410 HydrophobicContact CB-CB 4.08Å; C289-K410 HydrophobicContact CB-CD 4.42Å; C289-K410 WeakPolarHBondContact SG-CB 3.35Å
290	C	84.8	Confident	87.2	Confident	16 Å²	16	41.3 Å²	41.3	11%	0.108	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.3	-175.8	-57.9	0	0	0	0	110.9	R288 V393 C394	R288-C290 PolarHBondContact O-N 2.96Å; C290-V393 HydrophobicContact CB-CG1 3.89Å; C290-C394 CarbonylContact C-O 3.5Å; C290-C394 WeakPolarHBondContact CA-O 3.3Å
291	L	89.3	Confident	86.5	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.7	158.4	-58.7	178	0	0	0	107.5	I163 Y166 L169 M256 T260 C394	I163-L291 HydrophobicContact CG2-CD1 3.71Å; Y166-L291 HydrophobicContact CD2-CD2 3.83Å; Y166-L291 HydrophobicContact CE2-CD2 3.57Å; L169-L291 HydrophobicContact CD1-CD1 4.45Å; L169-L291 HydrophobicContact CD1-CD2 4.4Å; M256-L291 HydrophobicContact CE-CB 4.37Å; M256-L291 HydrophobicContact SD-CB 4.06Å; T260-L291 HydrophobicContact CG2-CD1 3.69Å; L291-C394 HydrophobicContact CB-CB 4.2Å; L291-C394 PolarHBondContact N-O 2.74Å; L291-C394 PolarHBondContact O-N 3.03Å
292	M	93.1	Very high	86.2	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.059	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.2	178.2	-63	179.3	-71.7	0	0	109.6	L282 Y285 A286 L317 E392 V393	L282-M292 HydrophobicContact CD2-SD 4.31Å; Y285-M292 VanDerWaalsContact CB-SD 3.59Å; A286-M292 HydrophobicContact CB-CE 3.93Å; M292-L317 HydrophobicContact CB-CB 3.85Å; M292-L317 HydrophobicContact CB-CD2 4.24Å; M292-L317 HydrophobicContact CB-CG 4.31Å; M292-L317 HydrophobicContact CE-CD2 4.29Å; M292-L317 HydrophobicContact CE-CG 4.29Å; M292-L317 PolarHBondContact O-N 3.19Å; M292-L317 HydrophobicContact SD-CD2 4.02Å; M292-E392 CarbonylContact C-O 3.6Å; M292-E392 WeakPolarHBondContact CA-O 3.34Å; M292-V393 HydrophobicContact CG-CG1 4.18Å; M292-V393 HydrophobicContact CG-CG2 4.18Å
293	G	94.3	Very high	85.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	157.7	173.7	0	0	0	0	0	109.6	Y315 V391 E392	G293-Y315 CarbonylContact C-O 3.57Å; G293-Y315 VanDerWaalsContact CA-O 3.22Å; G293-Y315 WeakPolarHBondContact CA-O 3.07Å; G293-V391 CarbonylContact O-C 3.55Å; G293-V391 WeakPolarHBondContact O-CA 3.32Å; G293-V391 WeakPolarHBondContact O-CG1 3.29Å; G293-E392 PolarHBondContact N-O 3.32Å; G293-E392 PolarHBondContact O-N 2.92Å
294	C	95.3	Very high	86	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.7	174.7	54.6	0	0	0	0	110.7	Q252 Y315 L335 F384 F388 R390 V391	Q252-C294 PolarHBondContact NE2-O 3.36Å; C294-Y315 PolarHBondContact N-O 3.08Å; C294-Y315 PolarHBondContact O-N 2.79Å; C294-L335 VanDerWaalsContact SG-CD2 3.53Å; C294-F384 HydrophobicContact CB-CE2 4.12Å; C294-F384 HydrophobicContact CB-CZ 4.22Å; C294-F388 HydrophobicContact CB-CD1 3.78Å; C294-F388 HydrophobicContact CB-CE1 4.24Å; C294-F388 HydrophobicContact CB-CG 4.48Å; C294-F388 VanDerWaalsContact SG-CE1 3.56Å; C294-R390 WeakPolarHBondContact CA-O 3.36Å; C294-R390 VanDerWaalsContact CB-O 3.28Å; C294-R390 WeakPolarHBondContact CB-O 3.41Å; C294-V391 HydrophobicContact CB-CG2 4.33Å
295	S	94.3	Very high	86.4	Confident	12 Å²	12	52.2 Å²	52.2	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.9	-179.6	65.6	0	0	0	0	111.7	S389 R390	S295-S389 PolarHBondContact O-N 2.95Å; S295-R390 PolarHBondContact N-O 2.87Å; S295-R390 PolarHBondContact O-N 2.76Å
296	I	93.9	Very high	86.7	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	32%	0.318	C	S	.	.			trans	-112.5	124.8	173.8	-55	173.8	0	0	0	106.8	S298 M305 L309 S312 F388	I296-S298 PolarHBondContact O-N 3.15Å; I296-M305 HydrophobicContact CD1-SD 4.23Å; I296-M305 HydrophobicContact CG2-SD 4.3Å; I296-L309 HydrophobicContact CD1-CB 3.63Å; I296-L309 HydrophobicContact CD1-CD1 3.81Å; I296-L309 HydrophobicContact CD1-CG 4.28Å; I296-S312 WeakPolarHBondContact O-CA 3.24Å; I296-S312 PolarHBondContact O-N 2.98Å; I296-F388 HydrophobicContact CD1-CE1 4.26Å; I296-F388 HydrophobicContact CD1-CZ 4.3Å; I296-F388 HydrophobicContact CG1-CD1 3.74Å; I296-F388 HydrophobicContact CG1-CE1 3.87Å; I296-F388 HydrophobicContact CG1-CG 4.13Å; I296-F388 HydrophobicContact CG1-CZ 4.36Å
297	D	90.2	Very high	87.2	Confident	100 Å²	100	60.2 Å²	60.2	54%	0.535	32%	0.316	S	S	.	.			trans	-72.7	130.4	176.2	-60.6	-31.6	0	0	0	110	S389	D297-S389 WeakPolarHBondContact CB-OG 3.4Å; D297-S389 VanDerWaalsContact CG-CB 3.47Å; D297-S389 VanDerWaalsContact CG-OG 3.27Å; D297-S389 PolarHBondContact N-OG 2.84Å; D297-S389 WeakPolarHBondContact OD2-CB 3.37Å; D297-S389 PolarHBondContact OD2-OG 3.14Å; D297-S389 VanDerWaalsContact OD2-OG 3.05Å
298	S	87.8	Confident	88	Confident	31 Å²	31	53.8 Å²	53.8	22%	0.217	29%	0.287	C	S	.	.			trans	-144	147.1	171.4	178.1	0	0	0	0	109.9	I296 V300 Q303	I296-S298 PolarHBondContact O-N 3.15Å; S298-V300 PolarHBondContact O-N 3.49Å; S298-V300 PolarHBondContact OG-N 2.99Å; S298-V300 VanDerWaalsContact OG-N 3.12Å; S298-V300 PolarHBondContact OG-O 3.2Å; S298-Q303 PolarHBondContact OG-OE1 3.17Å
299	S	85.6	Confident	88.9	Confident	128 Å²	128	51 Å²	51	90%	0.895	28%	0.277	S	S	*	.	S	Bend	trans	-72.7	-13.8	171.9	56.2	0	0	0	0	113
300	V	82.9	Confident	89.8	Confident	75 Å²	75	50.5 Å²	50.5	46%	0.455	27%	0.274	S	S	.	.	S	Bend	trans	-112.6	123.2	179	179.7	0	0	0	0	108.4	S298 E302 Q303 S312	S298-V300 PolarHBondContact O-N 3.49Å; S298-V300 PolarHBondContact OG-N 2.99Å; S298-V300 VanDerWaalsContact OG-N 3.12Å; S298-V300 PolarHBondContact OG-O 3.2Å; V300-E302 PolarHBondContact O-N 3.32Å; V300-Q303 HydrophobicContact CB-CB 4.03Å; V300-Q303 HydrophobicContact CB-CG 4.36Å; V300-Q303 HydrophobicContact CG1-CB 4.2Å; V300-Q303 PolarHBondContact O-N 3.32Å; V300-S312 WeakPolarHBondContact O-CB 3.46Å
301	M	78.3	Confident	90.1	Very high	118 Å²	118	49.8 Å²	49.8	58%	0.581	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	131.8	176.4	-165.5	176.4	86.3	0	0	110	Q303	M301-Q303 VanDerWaalsContact C-N 3.27Å; M301-Q303 PolarHBondContact O-N 3.44Å
302	E	81.7	Confident	90	Very high	49 Å²	49	51.7 Å²	51.7	23%	0.229	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.6	178.4	-64.2	171.5	-175.8	0	0	114.3	Q148 V300 K304 I310 G311 W339	Q148-E302 VanDerWaalsContact CD-OE1 3.3Å; Q148-E302 PolarHBondContact NE2-OE1 3.24Å; Q148-E302 PolarHBondContact OE1-OE1 2.7Å; V300-E302 PolarHBondContact O-N 3.32Å; E302-K304 PolarHBondContact O-N 3.24Å; E302-K304 VanDerWaalsContact O-N 3.08Å; E302-I310 VanDerWaalsContact C-CG2 3.44Å; E302-I310 HydrophobicContact CB-CG2 4.12Å; E302-G311 CarbonylContact C-O 3.59Å; E302-G311 VanDerWaalsContact CA-O 3.22Å; E302-G311 WeakPolarHBondContact CA-O 3.49Å; E302-G311 PolarHBondContact N-O 2.96Å; E302-G311 VanDerWaalsContact N-O 3.16Å; E302-W339 HydrophobicContact CB-CH2 4.44Å; E302-W339 HydrophobicContact CB-CZ2 4.49Å; E302-W339 HydrophobicContact CG-CZ2 4.1Å
303	Q	87.9	Confident	89.7	Confident	85 Å²	85	51.3 Å²	51.3	40%	0.397	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	109.1	-179.9	-172.1	-175.2	18.9	0	0	111.4	S298 V300 M301 M305 I310 G311	S298-Q303 PolarHBondContact OG-OE1 3.17Å; V300-Q303 HydrophobicContact CB-CB 4.03Å; V300-Q303 HydrophobicContact CB-CG 4.36Å; V300-Q303 HydrophobicContact CG1-CB 4.2Å; V300-Q303 PolarHBondContact O-N 3.32Å; M301-Q303 VanDerWaalsContact C-N 3.27Å; M301-Q303 PolarHBondContact O-N 3.44Å; Q303-M305 PolarHBondContact O-N 2.67Å; Q303-I310 CarbonylContact O-C 3.3Å; Q303-I310 WeakPolarHBondContact O-CA 3.39Å; Q303-G311 PolarHBondContact N-O 3.2Å; Q303-G311 PolarHBondContact O-N 3.44Å
304	K	90.9	Very high	89.4	Confident	132 Å²	132	51.5 Å²	51.5	57%	0.574	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.8	172.3	-58.7	-172.5	-178.5	-164.8	0	110.6	E302 H343	E302-K304 PolarHBondContact O-N 3.24Å; E302-K304 VanDerWaalsContact O-N 3.08Å; K304-H343 PolarHBondContact NZ-CE1 2.76Å; K304-H343 PolarHBondContact NZ-NE2 3.4Å
305	M	92.1	Very high	89.3	Confident	69 Å²	69	51.5 Å²	51.5	34%	0.34	28%	0.283	S	S	.	.			trans	-102.6	156	-178.2	-56.7	176.4	74.3	0	0	111.4	I296 Q303 N307 G308 L309	I296-M305 HydrophobicContact CD1-SD 4.23Å; I296-M305 HydrophobicContact CG2-SD 4.3Å; Q303-M305 PolarHBondContact O-N 2.67Å; M305-N307 VanDerWaalsContact CB-OD1 3.26Å; M305-N307 WeakPolarHBondContact CB-OD1 3.21Å; M305-N307 PolarHBondContact O-N 2.93Å; M305-G308 PolarHBondContact O-N 3.18Å; M305-L309 WeakPolarHBondContact CB-O 3.33Å; M305-L309 PolarHBondContact N-O 2.9Å; M305-L309 HydrophobicContact SD-CB 4.38Å
306	D	92.5	Very high	89.1	Confident	166 Å²	166	51.1 Å²	51.1	89%	0.888	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.8	-177.8	-68.7	-25.2	0	0	0	113.3	G308	D306-G308 PolarHBondContact O-N 3.04Å
307	N	93.7	Very high	89	Confident	42 Å²	42	50.9 Å²	50.9	23%	0.225	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	1.1	176.7	66.5	4	0	0	0	113.8	M305 L309 W345 K346	M305-N307 VanDerWaalsContact CB-OD1 3.26Å; M305-N307 WeakPolarHBondContact CB-OD1 3.21Å; M305-N307 PolarHBondContact O-N 2.93Å; N307-L309 WeakPolarHBondContact OD1-CB 3.46Å; N307-L309 PolarHBondContact OD1-N 3.37Å; N307-W345 HydrophobicContact CB-CE3 4.17Å; N307-W345 HydrophobicContact CB-CH2 4.48Å; N307-W345 HydrophobicContact CB-CZ3 3.65Å; N307-K346 WeakPolarHBondContact O-CB 3.48Å; N307-K346 PolarHBondContact O-N 3.18Å
308	G	92.5	Very high	88.9	Confident	6 Å²	6	47.8 Å²	47.8	6%	0.062	26%	0.264	C	S	.	.	S	Bend	trans	91.7	-13.2	179.6	0	0	0	0	0	115.1	M305 D306 E344	M305-G308 PolarHBondContact O-N 3.18Å; D306-G308 PolarHBondContact O-N 3.04Å; G308-E344 WeakPolarHBondContact CA-O 3.25Å
309	L	93.7	Very high	88.9	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.255	C	S	.	.			trans	-77.7	167.7	176.6	-56.7	175.6	0	0	0	111.4	I296 M305 N307 W345 F377 C387 F388	I296-L309 HydrophobicContact CD1-CB 3.63Å; I296-L309 HydrophobicContact CD1-CD1 3.81Å; I296-L309 HydrophobicContact CD1-CG 4.28Å; M305-L309 WeakPolarHBondContact CB-O 3.33Å; M305-L309 PolarHBondContact N-O 2.9Å; M305-L309 HydrophobicContact SD-CB 4.38Å; N307-L309 WeakPolarHBondContact OD1-CB 3.46Å; N307-L309 PolarHBondContact OD1-N 3.37Å; L309-W345 HydrophobicContact CD1-CE3 3.84Å; L309-W345 HydrophobicContact CD1-CZ3 3.92Å; L309-W345 HydrophobicContact CD2-CB 4.34Å; L309-W345 HydrophobicContact CD2-CE3 4.23Å; L309-W345 HydrophobicContact CG-CE3 3.86Å; L309-W345 HydrophobicContact CG-CZ3 4.33Å; L309-F377 HydrophobicContact CD2-CE1 4.46Å; L309-F377 HydrophobicContact CD2-CE2 3.94Å; L309-F377 HydrophobicContact CD2-CZ 3.63Å; L309-C387 HydrophobicContact CD1-CB 3.82Å; L309-F388 HydrophobicContact CD1-CE2 4Å; L309-F388 HydrophobicContact CD1-CZ 4.41Å; L309-F388 HydrophobicContact CD2-CE2 4.47Å; L309-F388 HydrophobicContact CD2-CZ 4.32Å
310	I	90.9	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120.9	-178.2	-53.3	179.8	0	0	0	108.3	E302 Q303 H313 Y315 W339 H343	E302-I310 VanDerWaalsContact C-CG2 3.44Å; E302-I310 HydrophobicContact CB-CG2 4.12Å; Q303-I310 CarbonylContact O-C 3.3Å; Q303-I310 WeakPolarHBondContact O-CA 3.39Å; I310-H313 HydrophobicContact CB-CB 4Å; I310-H313 HydrophobicContact CG2-CB 3.73Å; I310-Y315 VanDerWaalsContact CB-OH 3.27Å; I310-Y315 WeakPolarHBondContact CB-OH 3.46Å; I310-Y315 WeakPolarHBondContact CG1-OH 3.39Å; I310-Y315 PolarHBondContact N-OH 2.85Å; I310-W339 HydrophobicContact CD1-CD2 4.46Å; I310-W339 HydrophobicContact CD1-CE3 3.66Å; I310-W339 HydrophobicContact CD1-CH2 3.6Å; I310-W339 HydrophobicContact CD1-CZ2 4.41Å; I310-W339 HydrophobicContact CD1-CZ3 3.17Å; I310-H343 HydrophobicContact CD1-CB 4.12Å
311	G	90.9	Very high	89.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	151.6	174.6	0	0	0	0	0	112.4	E302 Q303 H313	E302-G311 CarbonylContact C-O 3.59Å; E302-G311 VanDerWaalsContact CA-O 3.22Å; E302-G311 WeakPolarHBondContact CA-O 3.49Å; E302-G311 PolarHBondContact N-O 2.96Å; E302-G311 VanDerWaalsContact N-O 3.16Å; Q303-G311 PolarHBondContact N-O 3.2Å; Q303-G311 PolarHBondContact O-N 3.44Å; G311-H313 PolarHBondContact O-N 3.4Å
312	S	86.7	Confident	90.6	Very high	50 Å²	50	38.2 Å²	38.2	35%	0.35	20%	0.2	S	C	.	.	S	Bend	trans	52.6	44.2	-176.3	-160.5	0	0	0	0	112	I296 V300	I296-S312 WeakPolarHBondContact O-CA 3.24Å; I296-S312 PolarHBondContact O-N 2.98Å; V300-S312 WeakPolarHBondContact O-CB 3.46Å
313	H	87.7	Confident	91.2	Very high	3 Å²	3	36 Å²	36	1%	0.014	19%	0.19	C	C	.	.			trans	-139.7	147.4	-178.5	-172.6	48.1	0	0	0	110.6	I310 G311 Y315 N337 W339	I310-H313 HydrophobicContact CB-CB 4Å; I310-H313 HydrophobicContact CG2-CB 3.73Å; G311-H313 PolarHBondContact O-N 3.4Å; H313-Y315 HydrophobicContact CB-CE2 4.15Å; H313-Y315 AromaticContact CD2-CE2 3.68Å; H313-Y315 AromaticContact CD2-CZ 3.85Å; H313-N337 PolarHBondContact NE2-OD1 3.02Å; H313-W339 AromaticContact CE1-CD1 3.9Å; H313-W339 AromaticContact CE1-CE2 3.77Å; H313-W339 AromaticContact CE1-NE1 3.41Å; H313-W339 PolarHBondContact CE1-NE1 3.37Å; H313-W339 AromaticContact NE2-CE2 3.93Å; H313-W339 AromaticContact NE2-NE1 3.86Å
314	A	88.8	Confident	91.6	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.6	-177.9	0	0	0	0	0	111.2	A158 Q252 P338	A158-A314 HydrophobicContact CB-CB 3.51Å; Q252-A314 VanDerWaalsContact CD-CB 3.47Å; Q252-A314 HydrophobicContact CG-CB 3.68Å; A314-P338 WeakPolarHBondContact O-CD 3.28Å; A314-P338 VanDerWaalsContact O-CG 3.28Å; A314-P338 WeakPolarHBondContact O-CG 3.39Å
315	Y	91.5	Very high	91.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.3	173.7	-68.8	-103.5	0	0	0	109.9	Q252 G293 C294 I310 H313 R336 N337 F377 F388	Q252-Y315 PolarHBondContact OE1-O 3.28Å; G293-Y315 CarbonylContact C-O 3.57Å; G293-Y315 VanDerWaalsContact CA-O 3.22Å; G293-Y315 WeakPolarHBondContact CA-O 3.07Å; C294-Y315 PolarHBondContact N-O 3.08Å; C294-Y315 PolarHBondContact O-N 2.79Å; I310-Y315 VanDerWaalsContact CB-OH 3.27Å; I310-Y315 WeakPolarHBondContact CB-OH 3.46Å; I310-Y315 WeakPolarHBondContact CG1-OH 3.39Å; I310-Y315 PolarHBondContact N-OH 2.85Å; H313-Y315 HydrophobicContact CB-CE2 4.15Å; H313-Y315 AromaticContact CD2-CE2 3.68Å; H313-Y315 AromaticContact CD2-CZ 3.85Å; Y315-R336 WeakPolarHBondContact CA-O 3.42Å; Y315-N337 HydrophobicContact CD1-CB 4.11Å; Y315-N337 HydrophobicContact CE1-CB 3.74Å; Y315-F377 AromaticContact CD1-CE1 3.91Å; Y315-F377 HydrophobicContact CD1-CE1 3.91Å; Y315-F377 AromaticContact CD1-CZ 3.91Å; Y315-F377 HydrophobicContact CD1-CZ 3.91Å; Y315-F377 AromaticContact CE1-CE1 3.81Å; Y315-F377 HydrophobicContact CE1-CE1 3.81Å; Y315-F377 AromaticContact CE1-CZ 3.92Å; Y315-F377 HydrophobicContact CE1-CZ 3.92Å; Y315-F388 AromaticContact CD2-CE1 3.82Å; Y315-F388 HydrophobicContact CD2-CE1 3.82Å; Y315-F388 HydrophobicContact CD2-CZ 4.3Å; Y315-F388 HydrophobicContact CE2-CE1 4.46Å; Y315-F388 HydrophobicContact CG-CE1 4.02Å; Y315-F388 HydrophobicContact CG-CZ 4.25Å
316	S	90.4	Very high	91.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132	171	-46.5	0	0	0	0	110.2	S162 L335 R336	S162-S316 WeakPolarHBondContact OG-CB 3.49Å; S162-S316 PolarHBondContact OG-OG 3.03Å; S316-L335 CarbonylContact O-C 3.52Å; S316-L335 WeakPolarHBondContact O-CA 3.31Å; S316-R336 PolarHBondContact N-O 3.28Å; S316-R336 PolarHBondContact O-N 2.75Å
317	L	92.6	Very high	91.7	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	102.4	166.9	176.6	64.7	0	0	0	108.4	L282 M292 V320 M333 L335 F384 V391	L282-L317 HydrophobicContact CD2-CD2 4.06Å; M292-L317 HydrophobicContact CB-CB 3.85Å; M292-L317 HydrophobicContact CB-CD2 4.24Å; M292-L317 HydrophobicContact CB-CG 4.31Å; M292-L317 HydrophobicContact CE-CD2 4.29Å; M292-L317 HydrophobicContact CE-CG 4.29Å; M292-L317 PolarHBondContact O-N 3.19Å; M292-L317 HydrophobicContact SD-CD2 4.02Å; L317-V320 HydrophobicContact CD2-CG2 4.34Å; L317-M333 HydrophobicContact CD1-CB 4.02Å; L317-M333 HydrophobicContact CD1-SD 4.45Å; L317-L335 HydrophobicContact CD1-CG 4.31Å; L317-F384 HydrophobicContact CD2-CZ 4.39Å; L317-V391 HydrophobicContact CD2-CG1 4.42Å
318	T	88.1	Confident	91.7	Very high	36 Å²	36	39.5 Å²	39.5	22%	0.221	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-1.4	-170.2	67.8	0	0	0	0	113.5	R334 R336	T318-R334 PolarHBondContact N-O 3.43Å; T318-R334 PolarHBondContact O-NH2 3.22Å; T318-R334 WeakPolarHBondContact OG1-CG 2.97Å; T318-R334 PolarHBondContact OG1-NE 3.03Å; T318-R334 PolarHBondContact OG1-O 2.78Å; T318-R336 HydrophobicContact CG2-CB 4.29Å
319	G	88.7	Confident	91.8	Very high	4 Å²	4	43.9 Å²	43.9	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	149.9	179.4	0	0	0	0	0	115	R334	G319-R334 PolarHBondContact N-O 3.29Å; G319-R334 PolarHBondContact O-N 3.42Å
320	V	93.8	Very high	91.9	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	107	178.3	178.2	0	0	0	0	106.7	I279 L282 K283 A286 L317 W331 M333	I279-V320 HydrophobicContact CD1-CG1 3.97Å; L282-V320 HydrophobicContact CB-CG1 4.39Å; L282-V320 HydrophobicContact CB-CG2 4.1Å; K283-V320 HydrophobicContact CG-CG1 4.21Å; A286-V320 HydrophobicContact CB-CB 4.12Å; A286-V320 HydrophobicContact CB-CG2 4.2Å; L317-V320 HydrophobicContact CD2-CG2 4.34Å; V320-W331 HydrophobicContact CG1-CE3 4.16Å; V320-W331 HydrophobicContact CG1-CZ3 4.44Å; V320-M333 HydrophobicContact CB-CE 4.49Å; V320-M333 HydrophobicContact CG1-CE 3.78Å; V320-M333 HydrophobicContact CG1-SD 4.28Å; V320-M333 HydrophobicContact CG2-SD 4.05Å
321	Y	93.7	Very high	92.2	Very high	68 Å²	68	48 Å²	48	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.7	-169.8	-65	-83	0	0	0	112.3	L332 I367 W378	Y321-L332 PolarHBondContact N-O 3.03Å; Y321-L332 PolarHBondContact O-N 3.49Å; Y321-I367 HydrophobicContact CD1-CG2 4.01Å; Y321-I367 HydrophobicContact CD2-CG2 4.49Å; Y321-I367 HydrophobicContact CG-CB 4.37Å; Y321-I367 HydrophobicContact CG-CG2 3.84Å; Y321-W378 AromaticContact CD2-CH2 3.61Å; Y321-W378 HydrophobicContact CD2-CH2 3.61Å; Y321-W378 AromaticContact CD2-CZ3 3.65Å; Y321-W378 HydrophobicContact CD2-CZ3 3.65Å; Y321-W378 AromaticContact CE2-CH2 3.94Å; Y321-W378 HydrophobicContact CE2-CH2 3.94Å; Y321-W378 HydrophobicContact CE2-CZ3 4.36Å; Y321-W378 HydrophobicContact CG-CH2 4.45Å; Y321-W378 HydrophobicContact CG-CZ3 4.41Å
322	P	94.6	Very high	92.5	Very high	67 Å²	67	48 Å²	48	44%	0.435	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	139.1	167.2	31.6	-26.8	0	0	0	110.6	T329 W331	P322-T329 HydrophobicContact CB-CG2 3.81Å; P322-W331 HydrophobicContact CB-CD2 4.28Å; P322-W331 HydrophobicContact CB-CE3 4Å; P322-W331 HydrophobicContact CB-CH2 3.61Å; P322-W331 HydrophobicContact CB-CZ2 3.91Å; P322-W331 HydrophobicContact CB-CZ3 3.69Å; P322-W331 VanDerWaalsContact CD-CZ3 3.45Å; P322-W331 HydrophobicContact CG-CE3 4.48Å; P322-W331 HydrophobicContact CG-CH2 3.68Å; P322-W331 HydrophobicContact CG-CZ2 4.43Å; P322-W331 HydrophobicContact CG-CZ3 3.75Å
323	V	94.8	Very high	92.9	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.8	166.1	-58.4	0	0	0	0	110	Y325 T329 Q330 L332 I359 I367	V323-Y325 PolarHBondContact O-N 2.82Å; V323-T329 WeakPolarHBondContact O-CA 3.31Å; V323-Q330 HydrophobicContact CG2-CB 4.01Å; V323-Q330 HydrophobicContact CG2-CG 4.45Å; V323-Q330 PolarHBondContact N-O 3.46Å; V323-Q330 PolarHBondContact O-N 3.4Å; V323-L332 HydrophobicContact CB-CD1 4.5Å; V323-L332 HydrophobicContact CG1-CD1 3.92Å; V323-L332 HydrophobicContact CG2-CD1 3.71Å; V323-L332 HydrophobicContact CG2-CG 3.98Å; V323-I359 HydrophobicContact CB-CD1 4.03Å; V323-I359 HydrophobicContact CG2-CD1 3.77Å; V323-I367 HydrophobicContact CG1-CG2 4.35Å
324	N	94.4	Very high	93.2	Very high	82 Å²	82	47.3 Å²	47.3	44%	0.439	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	105.7	171.1	-174.5	-18.3	0	0	0	109.1	G327 I359 E363	N324-G327 WeakPolarHBondContact OD1-CA 3.49Å; N324-G327 PolarHBondContact OD1-N 2.96Å; N324-I359 WeakPolarHBondContact O-CD1 3.47Å; N324-E363 WeakPolarHBondContact CA-OE1 3.1Å; N324-E363 WeakPolarHBondContact CB-OE1 3.3Å; N324-E363 PolarHBondContact N-OE1 3.37Å
325	Y	93.8	Very high	93.4	Very high	44 Å²	44	47.1 Å²	47.1	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.2	174.7	179.9	-116.7	0	0	0	108.9	V323 G327 R328 W349 Q355 E358 I359	V323-Y325 PolarHBondContact O-N 2.82Å; Y325-G327 VanDerWaalsContact C-N 3.29Å; Y325-G327 PolarHBondContact O-N 3.08Å; Y325-R328 PolarHBondContact N-O 3.04Å; Y325-R328 PolarHBondContact O-N 2.94Å; Y325-R328 VanDerWaalsContact O-N 3.09Å; Y325-W349 HydrophobicContact CD1-CZ2 4.11Å; Y325-W349 AromaticContact CD2-CH2 3.65Å; Y325-W349 HydrophobicContact CD2-CH2 3.65Å; Y325-W349 HydrophobicContact CD2-CZ2 4.01Å; Y325-W349 HydrophobicContact CE1-CZ2 4.4Å; Y325-W349 HydrophobicContact CE2-CH2 4.12Å; Y325-W349 HydrophobicContact CE2-CZ2 4.31Å; Y325-W349 AromaticContact CG-CH2 3.9Å; Y325-W349 HydrophobicContact CG-CH2 3.9Å; Y325-W349 AromaticContact CG-CZ2 3.9Å; Y325-W349 HydrophobicContact CG-CZ2 3.9Å; Y325-Q355 HydrophobicContact CE2-CB 4.45Å; Y325-E358 HydrophobicContact CD2-CB 3.98Å; Y325-E358 HydrophobicContact CE2-CB 3.76Å; Y325-E358 HydrophobicContact CE2-CG 4.18Å; Y325-I359 HydrophobicContact CD2-CD1 4.13Å
326	R	92.8	Very high	93.2	Very high	174 Å²	174	47.3 Å²	47.3	66%	0.657	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	40	180	-58.2	-179.1	175	179.4	1.8	114.1	R328 E358	R326-R328 VanDerWaalsContact C-N 3.28Å; R326-R328 PolarHBondContact O-N 3.21Å; R326-E358 VanDerWaalsContact CG-OE2 3.27Å; R326-E358 WeakPolarHBondContact CG-OE2 3.41Å; R326-E358 IonicContact CZ-OE1 3.54Å; R326-E358 IonicContact CZ-OE2 3.39Å; R326-E358 IonicContact NE-OE1 3.93Å; R326-E358 IonicContact NE-OE2 3.53Å; R326-E358 PolarHBondContact NE-OE2 3.36Å; R326-E358 IonicContact NH2-OE1 2.73Å; R326-E358 PolarHBondContact NH2-OE1 2.94Å; R326-E358 IonicContact NH2-OE2 2.7Å; R326-E358 PolarHBondContact NH2-OE2 2.99Å
327	G	91.8	Very high	93	Very high	65 Å²	65	47.2 Å²	47.2	67%	0.67	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	7.7	178.4	0	0	0	0	0	114.4	N324 Y325	N324-G327 WeakPolarHBondContact OD1-CA 3.49Å; N324-G327 PolarHBondContact OD1-N 2.96Å; Y325-G327 VanDerWaalsContact C-N 3.29Å; Y325-G327 PolarHBondContact O-N 3.08Å
328	R	94.2	Very high	92.3	Very high	202 Å²	202	47.1 Å²	47.1	76%	0.762	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	147	176.8	-62.4	-176.3	-179.7	-176.3	-0.3	110	Y325 R326 Q330	Y325-R328 PolarHBondContact N-O 3.04Å; Y325-R328 PolarHBondContact O-N 2.94Å; Y325-R328 VanDerWaalsContact O-N 3.09Å; R326-R328 VanDerWaalsContact C-N 3.28Å; R326-R328 PolarHBondContact O-N 3.21Å; R328-Q330 PolarHBondContact O-N 2.91Å
329	T	94.7	Very high	91.6	Very high	97 Å²	97	47.6 Å²	47.6	60%	0.595	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	117.2	171.8	-54.5	0	0	0	0	109.4	P322 V323 W331	P322-T329 HydrophobicContact CB-CG2 3.81Å; V323-T329 WeakPolarHBondContact O-CA 3.31Å; T329-W331 HydrophobicContact CG2-CZ2 4.32Å
330	Q	95.8	Very high	90.8	Very high	35 Å²	35	48 Å²	48	16%	0.164	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.4	168.5	177.3	64.2	63.7	0	0	108.5	V323 R328 L332 W349 E382	V323-Q330 HydrophobicContact CG2-CB 4.01Å; V323-Q330 HydrophobicContact CG2-CG 4.45Å; V323-Q330 PolarHBondContact N-O 3.46Å; V323-Q330 PolarHBondContact O-N 3.4Å; R328-Q330 PolarHBondContact O-N 2.91Å; Q330-L332 HydrophobicContact CG-CD2 3.82Å; Q330-L332 HydrophobicContact CG-CG 4.43Å; Q330-W349 HydrophobicContact CG-CZ2 3.99Å; Q330-E382 PolarHBondContact NE2-OE2 3.29Å
331	W	96.2	Very high	89.8	Confident	54 Å²	54	50 Å²	50	21%	0.205	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.4	172.4	-70.5	97.3	0	0	0	109.7	I279 K283 V320 P322 T329 M333 Y381	I279-W331 HydrophobicContact CD1-CB 3.95Å; I279-W331 HydrophobicContact CD1-CD2 3.97Å; I279-W331 HydrophobicContact CD1-CE3 4.1Å; I279-W331 HydrophobicContact CD1-CG 3.87Å; I279-W331 HydrophobicContact CG1-CB 4.34Å; I279-W331 HydrophobicContact CG1-CD2 3.93Å; I279-W331 HydrophobicContact CG1-CE3 4.42Å; I279-W331 HydrophobicContact CG1-CG 3.82Å; K283-W331 HydrophobicContact CD-CH2 3.41Å; K283-W331 VanDerWaalsContact CD-CH2 3.41Å; K283-W331 HydrophobicContact CD-CZ2 3.92Å; K283-W331 HydrophobicContact CD-CZ3 3.78Å; K283-W331 HydrophobicContact CG-CE3 4.46Å; K283-W331 HydrophobicContact CG-CH2 3.9Å; K283-W331 HydrophobicContact CG-CZ3 3.72Å; V320-W331 HydrophobicContact CG1-CE3 4.16Å; V320-W331 HydrophobicContact CG1-CZ3 4.44Å; P322-W331 HydrophobicContact CB-CD2 4.28Å; P322-W331 HydrophobicContact CB-CE3 4Å; P322-W331 HydrophobicContact CB-CH2 3.61Å; P322-W331 HydrophobicContact CB-CZ2 3.91Å; P322-W331 HydrophobicContact CB-CZ3 3.69Å; P322-W331 VanDerWaalsContact CD-CZ3 3.45Å; P322-W331 HydrophobicContact CG-CE3 4.48Å; P322-W331 HydrophobicContact CG-CH2 3.68Å; P322-W331 HydrophobicContact CG-CZ2 4.43Å; P322-W331 HydrophobicContact CG-CZ3 3.75Å; T329-W331 HydrophobicContact CG2-CZ2 4.32Å; W331-M333 HydrophobicContact CB-CE 4.11Å; W331-Y381 PolarHBondContact O-N 2.82Å
332	L	96.8	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.1	178.2	-59.6	-177.6	0	0	0	110.3	Y321 V323 Q330 W349 W356 W378 M379	Y321-L332 PolarHBondContact N-O 3.03Å; Y321-L332 PolarHBondContact O-N 3.49Å; V323-L332 HydrophobicContact CB-CD1 4.5Å; V323-L332 HydrophobicContact CG1-CD1 3.92Å; V323-L332 HydrophobicContact CG2-CD1 3.71Å; V323-L332 HydrophobicContact CG2-CG 3.98Å; Q330-L332 HydrophobicContact CG-CD2 3.82Å; Q330-L332 HydrophobicContact CG-CG 4.43Å; L332-W349 HydrophobicContact CD1-CD2 4.36Å; L332-W349 HydrophobicContact CD1-CE3 4.04Å; L332-W349 HydrophobicContact CD1-CZ3 4.31Å; L332-W349 HydrophobicContact CD2-CB 4.39Å; L332-W349 HydrophobicContact CD2-CD2 3.62Å; L332-W349 HydrophobicContact CD2-CE3 4.15Å; L332-W349 HydrophobicContact CD2-CG 3.71Å; L332-W349 HydrophobicContact CD2-CZ2 4.36Å; L332-W356 HydrophobicContact CD1-CH2 3.71Å; L332-W356 HydrophobicContact CD1-CZ3 3.96Å; L332-W378 HydrophobicContact CB-CE3 3.95Å; L332-W378 HydrophobicContact CB-CZ3 4.28Å; L332-W378 HydrophobicContact CD1-CE3 4.48Å; L332-M379 CarbonylContact C-O 3.55Å; L332-M379 WeakPolarHBondContact CA-O 3.45Å
333	M	96.1	Very high	88.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.4	172.7	-54.3	-57.2	103.3	0	0	108.5	I279 L282 L317 V320 W331 L335 W378 M379 Y381 F384	I279-M333 HydrophobicContact CD1-CE 3.81Å; L282-M333 HydrophobicContact CD1-SD 4.37Å; L317-M333 HydrophobicContact CD1-CB 4.02Å; L317-M333 HydrophobicContact CD1-SD 4.45Å; V320-M333 HydrophobicContact CB-CE 4.49Å; V320-M333 HydrophobicContact CG1-CE 3.78Å; V320-M333 HydrophobicContact CG1-SD 4.28Å; V320-M333 HydrophobicContact CG2-SD 4.05Å; W331-M333 HydrophobicContact CB-CE 4.11Å; M333-L335 HydrophobicContact CB-CD1 3.58Å; M333-W378 WeakPolarHBondContact O-CA 3.29Å; M333-M379 HydrophobicContact CB-CG 4.17Å; M333-M379 PolarHBondContact N-O 3.03Å; M333-M379 PolarHBondContact O-N 3.32Å; M333-Y381 HydrophobicContact CE-CD2 4.21Å; M333-Y381 HydrophobicContact SD-CD2 4.42Å; M333-F384 HydrophobicContact CB-CB 4.39Å; M333-F384 HydrophobicContact CB-CD2 4.47Å; M333-F384 HydrophobicContact CB-CG 4.37Å; M333-F384 HydrophobicContact CG-CB 3.68Å; M333-F384 HydrophobicContact CG-CD1 3.94Å; M333-F384 HydrophobicContact CG-CD2 4.25Å; M333-F384 HydrophobicContact CG-CG 3.7Å; M333-F384 HydrophobicContact SD-CD1 4.38Å
334	R	93.9	Very high	88.1	Confident	38 Å²	38	51.3 Å²	51.3	14%	0.143	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	116.2	171.2	-168.1	175.1	69.1	173.5	-11.3	109.1	T318 G319 E376 W378	T318-R334 PolarHBondContact N-O 3.43Å; T318-R334 PolarHBondContact O-NH2 3.22Å; T318-R334 WeakPolarHBondContact OG1-CG 2.97Å; T318-R334 PolarHBondContact OG1-NE 3.03Å; T318-R334 PolarHBondContact OG1-O 2.78Å; G319-R334 PolarHBondContact N-O 3.29Å; G319-R334 PolarHBondContact O-N 3.42Å; R334-E376 VanDerWaalsContact CD-OE1 3.3Å; R334-E376 WeakPolarHBondContact CD-OE1 3.39Å; R334-E376 HydrophobicContact CG-CG 3.81Å; R334-E376 IonicContact CZ-OE1 3.92Å; R334-E376 IonicContact NE-OE1 2.73Å; R334-E376 IonicContact NH1-OE1 2.79Å; R334-W378 HydrophobicContact CB-CD2 4.15Å; R334-W378 HydrophobicContact CB-CE3 3.85Å; R334-W378 HydrophobicContact CB-CH2 3.85Å; R334-W378 HydrophobicContact CB-CZ2 4.17Å; R334-W378 HydrophobicContact CB-CZ3 3.7Å; R334-W378 HydrophobicContact CG-CD2 4.09Å; R334-W378 HydrophobicContact CG-CE3 4.29Å; R334-W378 HydrophobicContact CG-CH2 4.03Å; R334-W378 HydrophobicContact CG-CZ2 3.83Å; R334-W378 HydrophobicContact CG-CZ3 4.27Å
335	L	93.1	Very high	88.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	160.6	-177.8	-65.8	90.2	0	0	0	110.2	C294 S316 L317 M333 E376 F377 M379 F384 F388	C294-L335 VanDerWaalsContact SG-CD2 3.53Å; S316-L335 CarbonylContact O-C 3.52Å; S316-L335 WeakPolarHBondContact O-CA 3.31Å; L317-L335 HydrophobicContact CD1-CG 4.31Å; M333-L335 HydrophobicContact CB-CD1 3.58Å; L335-E376 CarbonylContact O-C 3.58Å; L335-E376 VanDerWaalsContact O-CA 3.28Å; L335-E376 WeakPolarHBondContact O-CA 3.5Å; L335-F377 HydrophobicContact CB-CD2 4.21Å; L335-F377 HydrophobicContact CB-CE1 4.12Å; L335-F377 HydrophobicContact CB-CE2 3.64Å; L335-F377 HydrophobicContact CB-CZ 3.58Å; L335-F377 HydrophobicContact CD1-CE2 4.05Å; L335-F377 HydrophobicContact CD2-CE2 4.2Å; L335-F377 HydrophobicContact CD2-CZ 4.19Å; L335-F377 HydrophobicContact CG-CE2 4.2Å; L335-F377 HydrophobicContact CG-CZ 4.4Å; L335-F377 PolarHBondContact N-O 3.36Å; L335-F377 PolarHBondContact O-N 3.19Å; L335-M379 HydrophobicContact CD1-CG 3.67Å; L335-M379 HydrophobicContact CD1-SD 3.62Å; L335-M379 HydrophobicContact CD2-SD 4.27Å; L335-F384 HydrophobicContact CD1-CD2 4.3Å; L335-F384 HydrophobicContact CD2-CD2 4.05Å; L335-F384 HydrophobicContact CD2-CE2 3.94Å; L335-F388 HydrophobicContact CD2-CD2 4.23Å; L335-F388 HydrophobicContact CD2-CE1 3.83Å; L335-F388 HydrophobicContact CD2-CE2 3.45Å; L335-F388 VanDerWaalsContact CD2-CE2 3.45Å; L335-F388 HydrophobicContact CD2-CZ 3.22Å
336	R	88	Confident	88.1	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.5	172.1	-179	173.3	177.1	-91	-6.3	112.1	R143 Y315 S316 T318 D374 G375	R143-R336 VanDerWaalsContact CD-CZ 3.47Å; R143-R336 PolarHBondContact O-NH2 2.96Å; Y315-R336 WeakPolarHBondContact CA-O 3.42Å; S316-R336 PolarHBondContact N-O 3.28Å; S316-R336 PolarHBondContact O-N 2.75Å; T318-R336 HydrophobicContact CG2-CB 4.29Å; R336-D374 PolarHBondContact NE-O 3Å; R336-G375 CarbonylContact C-O 3.5Å; R336-G375 VanDerWaalsContact CA-O 3.29Å; R336-G375 WeakPolarHBondContact CA-O 3.48Å
337	N	86.2	Confident	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.			trans	-77.1	123.3	163.9	-176.2	-8.7	0	0	0	109.5	H313 Y315 W339 G340 H343 G375	H313-N337 PolarHBondContact NE2-OD1 3.02Å; Y315-N337 HydrophobicContact CD1-CB 4.11Å; Y315-N337 HydrophobicContact CE1-CB 3.74Å; N337-W339 PolarHBondContact O-N 2.96Å; N337-W339 PolarHBondContact OD1-N 2.77Å; N337-W339 VanDerWaalsContact OD1-N 3.16Å; N337-G340 PolarHBondContact O-N 2.84Å; N337-G340 VanDerWaalsContact O-N 3.12Å; N337-H343 PolarHBondContact ND2-O 3.47Å; N337-H343 VanDerWaalsContact ND2-O 3.08Å; N337-G375 PolarHBondContact N-O 3.06Å
338	P	76	Confident	88.4	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.019	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.6	-177.6	27.7	-38.3	0	0	0	114.7	A158 A314 G340	A158-P338 HydrophobicContact CB-CB 4.15Å; A158-P338 HydrophobicContact CB-CG 4Å; A314-P338 WeakPolarHBondContact O-CD 3.28Å; A314-P338 VanDerWaalsContact O-CG 3.28Å; A314-P338 WeakPolarHBondContact O-CG 3.39Å; P338-G340 PolarHBondContact O-N 3.13Å; P338-G340 VanDerWaalsContact O-N 3.16Å
339	W	74.7	Confident	88.4	Confident	46 Å²	46	35.1 Å²	35.1	17%	0.174	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.8	174.4	-64.6	-10.8	0	0	0	112.8	E302 I310 H313 N337 D341	E302-W339 HydrophobicContact CB-CH2 4.44Å; E302-W339 HydrophobicContact CB-CZ2 4.49Å; E302-W339 HydrophobicContact CG-CZ2 4.1Å; I310-W339 HydrophobicContact CD1-CD2 4.46Å; I310-W339 HydrophobicContact CD1-CE3 3.66Å; I310-W339 HydrophobicContact CD1-CH2 3.6Å; I310-W339 HydrophobicContact CD1-CZ2 4.41Å; I310-W339 HydrophobicContact CD1-CZ3 3.17Å; H313-W339 AromaticContact CE1-CD1 3.9Å; H313-W339 AromaticContact CE1-CE2 3.77Å; H313-W339 AromaticContact CE1-NE1 3.41Å; H313-W339 PolarHBondContact CE1-NE1 3.37Å; H313-W339 AromaticContact NE2-CE2 3.93Å; H313-W339 AromaticContact NE2-NE1 3.86Å; N337-W339 PolarHBondContact O-N 2.96Å; N337-W339 PolarHBondContact OD1-N 2.77Å; N337-W339 VanDerWaalsContact OD1-N 3.16Å; W339-D341 PolarHBondContact O-N 3.17Å
340	G	70.9	Confident	88.4	Confident	12 Å²	12	31.6 Å²	31.6	12%	0.124	17%	0.168	C	C	.	.			trans	64.5	20.7	176.1	0	0	0	0	0	114.3	N337 P338 D374	N337-G340 PolarHBondContact O-N 2.84Å; N337-G340 VanDerWaalsContact O-N 3.12Å; P338-G340 PolarHBondContact O-N 3.13Å; P338-G340 VanDerWaalsContact O-N 3.16Å; G340-D374 WeakPolarHBondContact CA-O 3.22Å
341	D	73.3	Confident	88.1	Confident	54 Å²	54	31.9 Å²	31.9	29%	0.289	17%	0.171	S	C	.	.	S	Bend	trans	-107	-174.8	-180	74.9	5.6	0	0	0	111.7	W339 H343	W339-D341 PolarHBondContact O-N 3.17Å; D341-H343 PolarHBondContact O-N 3.34Å; D341-H343 VanDerWaalsContact O-N 3.09Å; D341-H343 VanDerWaalsContact OD1-CB 3.32Å; D341-H343 WeakPolarHBondContact OD1-CB 3.3Å; D341-H343 IonicContact OD1-CG 3.31Å; D341-H343 PolarHBondContact OD1-N 2.81Å; D341-H343 IonicContact OD1-ND1 3.95Å; D341-H343 PolarHBondContact OD1-ND1 2.9Å; D341-H343 IonicContact OD2-CE1 2.75Å; D341-H343 PolarHBondContact OD2-CE1 3.2Å; D341-H343 VanDerWaalsContact OD2-CE1 3.31Å; D341-H343 IonicContact OD2-CG 3.72Å; D341-H343 IonicContact OD2-ND1 2.95Å; D341-H343 PolarHBondContact OD2-ND1 3.39Å
342	S	74.5	Confident	87.7	Confident	91 Å²	91	31.8 Å²	31.8	64%	0.636	19%	0.186	S	C	*	.	S	Bend	trans	-73.3	7.8	-176.9	61.5	0	0	0	0	115.3	E344	S342-E344 PolarHBondContact O-N 2.83Å
343	H	82.9	Confident	87.6	Confident	54 Å²	54	32.2 Å²	32.2	25%	0.25	19%	0.189	C	C	.	.			trans	-79.2	77.2	173.9	-63.2	90.3	0	0	0	110	K304 I310 N337 D341	K304-H343 PolarHBondContact NZ-CE1 2.76Å; K304-H343 PolarHBondContact NZ-NE2 3.4Å; I310-H343 HydrophobicContact CD1-CB 4.12Å; N337-H343 PolarHBondContact ND2-O 3.47Å; N337-H343 VanDerWaalsContact ND2-O 3.08Å; D341-H343 PolarHBondContact O-N 3.34Å; D341-H343 VanDerWaalsContact O-N 3.09Å; D341-H343 VanDerWaalsContact OD1-CB 3.32Å; D341-H343 WeakPolarHBondContact OD1-CB 3.3Å; D341-H343 IonicContact OD1-CG 3.31Å; D341-H343 PolarHBondContact OD1-N 2.81Å; D341-H343 IonicContact OD1-ND1 3.95Å; D341-H343 PolarHBondContact OD1-ND1 2.9Å; D341-H343 IonicContact OD2-CE1 2.75Å; D341-H343 PolarHBondContact OD2-CE1 3.2Å; D341-H343 VanDerWaalsContact OD2-CE1 3.31Å; D341-H343 IonicContact OD2-CG 3.72Å; D341-H343 IonicContact OD2-ND1 2.95Å; D341-H343 PolarHBondContact OD2-ND1 3.39Å
344	E	89.4	Confident	87.5	Confident	21 Å²	21	36 Å²	36	10%	0.098	21%	0.214	C	C	.	.			trans	-117.2	163.8	-178	-68.3	168.9	-168.6	0	0	111.4	G308 S342 K346 D374 G375 F377	G308-E344 WeakPolarHBondContact CA-O 3.25Å; S342-E344 PolarHBondContact O-N 2.83Å; E344-K346 PolarHBondContact O-N 3.29Å; E344-D374 PolarHBondContact OE1-N 2.96Å; E344-G375 WeakPolarHBondContact OE1-CA 3.26Å; E344-G375 PolarHBondContact OE1-N 3.37Å; E344-F377 HydrophobicContact CB-CB 4.15Å; E344-F377 HydrophobicContact CB-CD1 4.11Å; E344-F377 HydrophobicContact CB-CG 4.41Å; E344-F377 HydrophobicContact CG-CB 4.41Å; E344-F377 HydrophobicContact CG-CD1 4.14Å
345	W	94.6	Very high	87.5	Confident	19 Å²	19	36.2 Å²	36.2	7%	0.072	22%	0.217	C	C	.	.			trans	-55.4	134	176.8	172	-117.9	0	0	0	112.4	N307 L309 G347 A348 C350 F377 M379 D383	N307-W345 HydrophobicContact CB-CE3 4.17Å; N307-W345 HydrophobicContact CB-CH2 4.48Å; N307-W345 HydrophobicContact CB-CZ3 3.65Å; L309-W345 HydrophobicContact CD1-CE3 3.84Å; L309-W345 HydrophobicContact CD1-CZ3 3.92Å; L309-W345 HydrophobicContact CD2-CB 4.34Å; L309-W345 HydrophobicContact CD2-CE3 4.23Å; L309-W345 HydrophobicContact CG-CE3 3.86Å; L309-W345 HydrophobicContact CG-CZ3 4.33Å; W345-G347 VanDerWaalsContact CE2-N 3.33Å; W345-G347 VanDerWaalsContact CZ2-CA 3.48Å; W345-G347 VanDerWaalsContact NE1-C 3.31Å; W345-A348 PolarHBondContact NE1-O 3.19Å; W345-C350 WeakPolarHBondContact O-CB 3.47Å; W345-F377 HydrophobicContact CB-CB 4.27Å; W345-F377 HydrophobicContact CB-CD2 3.29Å; W345-F377 HydrophobicContact CB-CE2 3.66Å; W345-F377 HydrophobicContact CB-CG 3.81Å; W345-F377 HydrophobicContact CB-CZ 4.47Å; W345-F377 HydrophobicContact CG-CD2 4.23Å; W345-M379 HydrophobicContact CD2-CE 4.42Å; W345-M379 HydrophobicContact CE3-CE 4.49Å; W345-M379 HydrophobicContact CG-CB 4.39Å; W345-M379 HydrophobicContact CH2-CE 4.39Å; W345-M379 HydrophobicContact CZ2-CE 4.33Å; W345-M379 HydrophobicContact CZ3-CE 4.45Å; W345-D383 HydrophobicContact CH2-CB 4.34Å; W345-D383 HydrophobicContact CZ2-CB 3.97Å
346	K	94.4	Very high	87.6	Confident	145 Å²	145	36.6 Å²	36.6	63%	0.63	22%	0.218	S	C	*	.			trans	-107	0.2	-178.8	-62.6	177.2	-176.9	170.2	0	114.4	N307 E344	N307-K346 WeakPolarHBondContact O-CB 3.48Å; N307-K346 PolarHBondContact O-N 3.18Å; E344-K346 PolarHBondContact O-N 3.29Å
347	G	95.1	Very high	87.8	Confident	25 Å²	25	46.2 Å²	46.2	26%	0.258	25%	0.254	S	S	.	.	S	Bend	trans	-87.9	-155.1	-177.5	0	0	0	0	0	113.8	W345 C350	W345-G347 VanDerWaalsContact CE2-N 3.33Å; W345-G347 VanDerWaalsContact CZ2-CA 3.48Å; W345-G347 VanDerWaalsContact NE1-C 3.31Å; G347-C350 WeakPolarHBondContact O-CB 3.28Å; G347-C350 PolarHBondContact O-N 3.38Å; G347-C350 PolarHBondContact O-SG 3.22Å
348	A	95.4	Very high	88.2	Confident	32 Å²	32	50.4 Å²	50.4	26%	0.264	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	139.8	177.5	0	0	0	0	0	111.2	W345 C350 Q355	W345-A348 PolarHBondContact NE1-O 3.19Å; A348-C350 PolarHBondContact O-N 2.88Å; A348-Q355 VanDerWaalsContact CB-NE2 3.27Å
349	W	95.6	Very high	89	Confident	7 Å²	7	50.5 Å²	50.5	3%	0.027	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	4.9	-178.3	-51.1	99.9	0	0	0	116.4	Y325 Q330 L332 S353 Q355 W356 I359 W378	Y325-W349 HydrophobicContact CD1-CZ2 4.11Å; Y325-W349 AromaticContact CD2-CH2 3.65Å; Y325-W349 HydrophobicContact CD2-CH2 3.65Å; Y325-W349 HydrophobicContact CD2-CZ2 4.01Å; Y325-W349 HydrophobicContact CE1-CZ2 4.4Å; Y325-W349 HydrophobicContact CE2-CH2 4.12Å; Y325-W349 HydrophobicContact CE2-CZ2 4.31Å; Y325-W349 AromaticContact CG-CH2 3.9Å; Y325-W349 HydrophobicContact CG-CH2 3.9Å; Y325-W349 AromaticContact CG-CZ2 3.9Å; Y325-W349 HydrophobicContact CG-CZ2 3.9Å; Q330-W349 HydrophobicContact CG-CZ2 3.99Å; L332-W349 HydrophobicContact CD1-CD2 4.36Å; L332-W349 HydrophobicContact CD1-CE3 4.04Å; L332-W349 HydrophobicContact CD1-CZ3 4.31Å; L332-W349 HydrophobicContact CD2-CB 4.39Å; L332-W349 HydrophobicContact CD2-CD2 3.62Å; L332-W349 HydrophobicContact CD2-CE3 4.15Å; L332-W349 HydrophobicContact CD2-CG 3.71Å; L332-W349 HydrophobicContact CD2-CZ2 4.36Å; W349-S353 PolarHBondContact N-OG 2.94Å; W349-Q355 HydrophobicContact CD2-CB 3.88Å; W349-Q355 HydrophobicContact CD2-CG 4.32Å; W349-Q355 HydrophobicContact CE3-CB 3.68Å; W349-Q355 HydrophobicContact CH2-CB 3.7Å; W349-Q355 HydrophobicContact CH2-CG 4.43Å; W349-Q355 HydrophobicContact CZ2-CB 3.89Å; W349-Q355 HydrophobicContact CZ2-CG 4.15Å; W349-Q355 HydrophobicContact CZ3-CB 3.59Å; W349-W356 HydrophobicContact CB-CZ2 4.38Å; W349-W356 HydrophobicContact CE3-CD2 4.01Å; W349-W356 HydrophobicContact CE3-CE3 4.02Å; W349-W356 HydrophobicContact CE3-CH2 4.12Å; W349-W356 HydrophobicContact CE3-CZ2 4.09Å; W349-W356 HydrophobicContact CE3-CZ3 4.07Å; W349-W356 HydrophobicContact CZ3-CD2 4.29Å; W349-W356 AromaticContact CZ3-CE3 3.99Å; W349-W356 HydrophobicContact CZ3-CE3 3.99Å; W349-W356 HydrophobicContact CZ3-CZ3 4.18Å; W349-W356 WeakPolarHBondContact O-CZ2 3.44Å; W349-W356 PolarHBondContact O-NE1 3.23Å; W349-I359 HydrophobicContact CH2-CD1 3.87Å; W349-I359 HydrophobicContact CH2-CG1 3.93Å; W349-I359 HydrophobicContact CZ3-CD1 4.15Å; W349-I359 HydrophobicContact CZ3-CG1 3.7Å; W349-W378 CarbonylContact C-O 3.55Å; W349-W378 VanDerWaalsContact C-O 3.3Å; W349-W378 HydrophobicContact CB-CB 4.41Å; W349-W378 WeakPolarHBondContact O-CB 3.16Å
350	C	93.5	Very high	89.8	Confident	23 Å²	23	50.9 Å²	50.9	16%	0.155	28%	0.284	C	S	.	.			trans	-54.5	168.9	167.7	68.1	0	0	0	0	113	W345 G347 A348 G352 S353 W356	W345-C350 WeakPolarHBondContact O-CB 3.47Å; G347-C350 WeakPolarHBondContact O-CB 3.28Å; G347-C350 PolarHBondContact O-N 3.38Å; G347-C350 PolarHBondContact O-SG 3.22Å; A348-C350 PolarHBondContact O-N 2.88Å; C350-G352 PolarHBondContact O-N 3.11Å; C350-S353 WeakPolarHBondContact O-CB 3.04Å; C350-S353 PolarHBondContact O-N 3.3Å; C350-W356 PolarHBondContact O-NE1 2.75Å
351	D	89.1	Confident	90.8	Very high	41 Å²	41	56.2 Å²	56.2	22%	0.219	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	123.5	177.6	-82.1	22.8	0	0	0	111.5	S353 F371 T372	D351-S353 VanDerWaalsContact C-N 3.28Å; D351-S353 PolarHBondContact O-N 3.17Å; D351-F371 HydrophobicContact CB-CB 4.43Å; D351-F371 HydrophobicContact CB-CD1 3.94Å; D351-F371 HydrophobicContact CB-CG 4.46Å; D351-F371 VanDerWaalsContact OD2-CA 3.24Å; D351-F371 WeakPolarHBondContact OD2-CA 3.47Å; D351-T372 PolarHBondContact OD2-N 3.12Å
352	G	89.3	Confident	91.7	Very high	51 Å²	51	59.2 Å²	59.2	53%	0.526	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	6.2	-176	0	0	0	0	0	116.2	C350	C350-G352 PolarHBondContact O-N 3.11Å
353	S	93.8	Very high	92.5	Very high	10 Å²	10	56.6 Å²	56.6	7%	0.07	30%	0.295	C	S	.	.			trans	-54	142.5	177.5	-161.4	0	0	0	0	113	W349 C350 D351 Q355 W356	W349-S353 PolarHBondContact N-OG 2.94Å; C350-S353 WeakPolarHBondContact O-CB 3.04Å; C350-S353 PolarHBondContact O-N 3.3Å; D351-S353 VanDerWaalsContact C-N 3.28Å; D351-S353 PolarHBondContact O-N 3.17Å; S353-Q355 PolarHBondContact O-N 2.66Å; S353-Q355 VanDerWaalsContact O-N 3.1Å; S353-Q355 PolarHBondContact OG-OE1 2.94Å; S353-W356 WeakPolarHBondContact O-CB 3.41Å; S353-W356 VanDerWaalsContact O-CD1 3.29Å; S353-W356 PolarHBondContact O-N 2.9Å; S353-W356 VanDerWaalsContact O-N 3.15Å
354	P	94.2	Very high	93	Very high	80 Å²	80	55.9 Å²	55.9	52%	0.519	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-55.6	-29.3	-178.9	-27.3	35.1	0	0	0	115.1	W356 R357	P354-W356 PolarHBondContact O-N 2.99Å; P354-R357 VanDerWaalsContact O-CB 3.27Å; P354-R357 WeakPolarHBondContact O-CB 3.19Å; P354-R357 WeakPolarHBondContact O-CG 3.41Å; P354-R357 PolarHBondContact O-N 3.14Å
355	Q	94.2	Very high	93.1	Very high	42 Å²	42	61.7 Å²	61.7	20%	0.196	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-57.2	-33.3	-179.9	-71.3	81.6	-37.7	0	0	111.8	Y325 A348 W349 S353 R357 E358	Y325-Q355 HydrophobicContact CE2-CB 4.45Å; A348-Q355 VanDerWaalsContact CB-NE2 3.27Å; W349-Q355 HydrophobicContact CD2-CB 3.88Å; W349-Q355 HydrophobicContact CD2-CG 4.32Å; W349-Q355 HydrophobicContact CE3-CB 3.68Å; W349-Q355 HydrophobicContact CH2-CB 3.7Å; W349-Q355 HydrophobicContact CH2-CG 4.43Å; W349-Q355 HydrophobicContact CZ2-CB 3.89Å; W349-Q355 HydrophobicContact CZ2-CG 4.15Å; W349-Q355 HydrophobicContact CZ3-CB 3.59Å; S353-Q355 PolarHBondContact O-N 2.66Å; S353-Q355 VanDerWaalsContact O-N 3.1Å; S353-Q355 PolarHBondContact OG-OE1 2.94Å; Q355-R357 PolarHBondContact O-N 3.43Å; Q355-R357 VanDerWaalsContact O-N 3.12Å; Q355-E358 PolarHBondContact O-N 3.04Å
356	W	94.7	Very high	92.8	Very high	7 Å²	7	65.5 Å²	65.5	3%	0.027	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-62.6	-18.7	176.8	-65.2	119.4	0	0	0	113.7	L332 W349 C350 S353 P354 E358 I359 K364 I367 L369 F371 W378	L332-W356 HydrophobicContact CD1-CH2 3.71Å; L332-W356 HydrophobicContact CD1-CZ3 3.96Å; W349-W356 HydrophobicContact CB-CZ2 4.38Å; W349-W356 HydrophobicContact CE3-CD2 4.01Å; W349-W356 HydrophobicContact CE3-CE3 4.02Å; W349-W356 HydrophobicContact CE3-CH2 4.12Å; W349-W356 HydrophobicContact CE3-CZ2 4.09Å; W349-W356 HydrophobicContact CE3-CZ3 4.07Å; W349-W356 HydrophobicContact CZ3-CD2 4.29Å; W349-W356 AromaticContact CZ3-CE3 3.99Å; W349-W356 HydrophobicContact CZ3-CE3 3.99Å; W349-W356 HydrophobicContact CZ3-CZ3 4.18Å; W349-W356 WeakPolarHBondContact O-CZ2 3.44Å; W349-W356 PolarHBondContact O-NE1 3.23Å; C350-W356 PolarHBondContact O-NE1 2.75Å; S353-W356 WeakPolarHBondContact O-CB 3.41Å; S353-W356 VanDerWaalsContact O-CD1 3.29Å; S353-W356 PolarHBondContact O-N 2.9Å; S353-W356 VanDerWaalsContact O-N 3.15Å; P354-W356 PolarHBondContact O-N 2.99Å; W356-E358 PolarHBondContact O-N 3.38Å; W356-I359 HydrophobicContact CE3-CG1 4.35Å; W356-K364 WeakPolarHBondContact O-CE 3.38Å; W356-K364 PolarHBondContact O-NZ 2.84Å; W356-I367 HydrophobicContact CH2-CD1 3.84Å; W356-I367 HydrophobicContact CZ3-CD1 3.64Å; W356-L369 HydrophobicContact CD2-CD1 4.44Å; W356-L369 HydrophobicContact CD2-CD2 3.87Å; W356-L369 HydrophobicContact CE3-CD1 4.36Å; W356-L369 HydrophobicContact CE3-CD2 3.6Å; W356-L369 HydrophobicContact CG-CD2 4.46Å; W356-L369 HydrophobicContact CH2-CD1 3.6Å; W356-L369 HydrophobicContact CH2-CD2 4.32Å; W356-L369 HydrophobicContact CZ2-CD1 3.68Å; W356-L369 HydrophobicContact CZ3-CD1 3.98Å; W356-L369 HydrophobicContact CZ3-CD2 3.86Å; W356-F371 HydrophobicContact CB-CZ 4.23Å; W356-F371 AromaticContact CD1-CE1 3.84Å; W356-F371 AromaticContact CD1-CZ 3.53Å; W356-F371 HydrophobicContact CD2-CE1 4.46Å; W356-F371 HydrophobicContact CD2-CZ 4.2Å; W356-F371 HydrophobicContact CG-CE1 4.32Å; W356-F371 AromaticContact CG-CZ 3.75Å; W356-F371 HydrophobicContact CG-CZ 3.75Å; W356-F371 AromaticContact NE1-CE1 3.67Å; W356-F371 AromaticContact NE1-CZ 3.86Å; W356-W378 HydrophobicContact CH2-CB 4.12Å; W356-W378 HydrophobicContact CH2-CD2 4.05Å; W356-W378 HydrophobicContact CH2-CE3 4.45Å; W356-W378 AromaticContact CH2-CG 3.9Å; W356-W378 HydrophobicContact CH2-CG 3.9Å; W356-W378 HydrophobicContact CZ2-CB 3.64Å; W356-W378 AromaticContact CZ2-CD1 3.94Å; W356-W378 HydrophobicContact CZ2-CD2 4.32Å; W356-W378 AromaticContact CZ2-CG 3.68Å; W356-W378 HydrophobicContact CZ2-CG 3.68Å
357	R	93	Very high	92.6	Very high	208 Å²	208	58.8 Å²	58.8	79%	0.785	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-72.4	-16.8	175.2	-59.4	178.6	-174.1	171.9	2.8	112.8	P354 Q355	P354-R357 VanDerWaalsContact O-CB 3.27Å; P354-R357 WeakPolarHBondContact O-CB 3.19Å; P354-R357 WeakPolarHBondContact O-CG 3.41Å; P354-R357 PolarHBondContact O-N 3.14Å; Q355-R357 PolarHBondContact O-N 3.43Å; Q355-R357 VanDerWaalsContact O-N 3.12Å
358	E	92.9	Very high	92.2	Very high	87 Å²	87	63.2 Å²	63.2	41%	0.407	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-101.1	-1.5	-177.3	-57.2	-170.9	-135.2	0	0	113.2	Y325 R326 Q355 W356	Y325-E358 HydrophobicContact CD2-CB 3.98Å; Y325-E358 HydrophobicContact CE2-CB 3.76Å; Y325-E358 HydrophobicContact CE2-CG 4.18Å; R326-E358 VanDerWaalsContact CG-OE2 3.27Å; R326-E358 WeakPolarHBondContact CG-OE2 3.41Å; R326-E358 IonicContact CZ-OE1 3.54Å; R326-E358 IonicContact CZ-OE2 3.39Å; R326-E358 IonicContact NE-OE1 3.93Å; R326-E358 IonicContact NE-OE2 3.53Å; R326-E358 PolarHBondContact NE-OE2 3.36Å; R326-E358 IonicContact NH2-OE1 2.73Å; R326-E358 PolarHBondContact NH2-OE1 2.94Å; R326-E358 IonicContact NH2-OE2 2.7Å; R326-E358 PolarHBondContact NH2-OE2 2.99Å; Q355-E358 PolarHBondContact O-N 3.04Å; W356-E358 PolarHBondContact O-N 3.38Å
359	I	93.5	Very high	91.8	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.031	32%	0.324	C	S	.	.	S	Bend	trans	-96.8	139.3	175.8	-59.1	-53.8	0	0	0	109.6	V323 N324 Y325 W349 W356 E363 K364	V323-I359 HydrophobicContact CB-CD1 4.03Å; V323-I359 HydrophobicContact CG2-CD1 3.77Å; N324-I359 WeakPolarHBondContact O-CD1 3.47Å; Y325-I359 HydrophobicContact CD2-CD1 4.13Å; W349-I359 HydrophobicContact CH2-CD1 3.87Å; W349-I359 HydrophobicContact CH2-CG1 3.93Å; W349-I359 HydrophobicContact CZ3-CD1 4.15Å; W349-I359 HydrophobicContact CZ3-CG1 3.7Å; W356-I359 HydrophobicContact CE3-CG1 4.35Å; I359-E363 HydrophobicContact CG2-CB 3.49Å; I359-E363 VanDerWaalsContact CG2-CB 3.49Å; I359-E363 HydrophobicContact CG2-CG 4.47Å; I359-K364 HydrophobicContact CG2-CG 4.11Å; I359-K364 WeakPolarHBondContact O-CE 3.35Å
360	S	92	Very high	91.2	Very high	54 Å²	54	65.6 Å²	65.6	38%	0.378	34%	0.34	S	S	.	.			trans	-66.5	150	179.6	69.8	0	0	0	0	112	Q362 E363 K364	S360-Q362 PolarHBondContact O-N 3.31Å; S360-E363 WeakPolarHBondContact CB-OE2 3.29Å; S360-E363 PolarHBondContact N-OE2 2.94Å; S360-E363 VanDerWaalsContact N-OE2 3.14Å; S360-E363 PolarHBondContact O-N 2.96Å; S360-E363 VanDerWaalsContact O-N 3.08Å; S360-E363 VanDerWaalsContact OG-CG 3.25Å; S360-E363 WeakPolarHBondContact OG-CG 3.13Å; S360-E363 PolarHBondContact OG-N 3.44Å; S360-E363 PolarHBondContact OG-OE2 3.16Å; S360-K364 PolarHBondContact O-N 3.49Å; S360-K364 VanDerWaalsContact O-N 3.08Å
361	E	92.5	Very high	90.6	Very high	123 Å²	123	69.4 Å²	69.4	58%	0.575	35%	0.354	S	S	*	.	H	α-helix	trans	-60	-27.6	175.8	-68.7	-57.3	126	0	0	112.7	K364 K365	E361-K364 IonicContact OE1-NZ 3.47Å; E361-K364 PolarHBondContact OE1-NZ 2.82Å; E361-K365 WeakPolarHBondContact O-CG 3.06Å; E361-K365 PolarHBondContact O-N 3.45Å; E361-K365 VanDerWaalsContact O-N 3.11Å
362	Q	92.3	Very high	90.1	Very high	117 Å²	117	70.3 Å²	70.3	55%	0.547	36%	0.361	S	S	.	.	H	α-helix	trans	-68.2	-42.8	174.9	-174.3	58.3	54	0	0	111.5	S360 K365 N366	S360-Q362 PolarHBondContact O-N 3.31Å; Q362-K365 PolarHBondContact O-N 2.95Å; Q362-N366 PolarHBondContact NE2-OD1 3.26Å; Q362-N366 PolarHBondContact O-N 2.81Å; Q362-N366 PolarHBondContact O-OD1 3.07Å; Q362-N366 VanDerWaalsContact O-OD1 3.1Å
363	E	91	Very high	89.2	Confident	36 Å²	36	71.6 Å²	71.6	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-66.3	-40.3	176.9	-73.2	167.7	123.7	0	0	111.8	N324 I359 S360 K365 N366 I367	N324-E363 WeakPolarHBondContact CA-OE1 3.1Å; N324-E363 WeakPolarHBondContact CB-OE1 3.3Å; N324-E363 PolarHBondContact N-OE1 3.37Å; I359-E363 HydrophobicContact CG2-CB 3.49Å; I359-E363 VanDerWaalsContact CG2-CB 3.49Å; I359-E363 HydrophobicContact CG2-CG 4.47Å; S360-E363 WeakPolarHBondContact CB-OE2 3.29Å; S360-E363 PolarHBondContact N-OE2 2.94Å; S360-E363 VanDerWaalsContact N-OE2 3.14Å; S360-E363 PolarHBondContact O-N 2.96Å; S360-E363 VanDerWaalsContact O-N 3.08Å; S360-E363 VanDerWaalsContact OG-CG 3.25Å; S360-E363 WeakPolarHBondContact OG-CG 3.13Å; S360-E363 PolarHBondContact OG-N 3.44Å; S360-E363 PolarHBondContact OG-OE2 3.16Å; E363-K365 VanDerWaalsContact C-N 3.28Å; E363-K365 PolarHBondContact O-N 3.06Å; E363-N366 WeakPolarHBondContact O-CB 3.33Å; E363-N366 PolarHBondContact O-N 2.87Å; E363-N366 VanDerWaalsContact O-N 3.1Å; E363-I367 WeakPolarHBondContact O-CG1 3.31Å; E363-I367 PolarHBondContact O-N 2.74Å; E363-I367 VanDerWaalsContact O-N 3.07Å
364	K	92.6	Very high	88.4	Confident	39 Å²	39	71.9 Å²	71.9	17%	0.17	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-40.9	173.7	-65.3	178.8	-170.7	168.5	0	112.2	W356 I359 S360 E361 I367 N368 L369	W356-K364 WeakPolarHBondContact O-CE 3.38Å; W356-K364 PolarHBondContact O-NZ 2.84Å; I359-K364 HydrophobicContact CG2-CG 4.11Å; I359-K364 WeakPolarHBondContact O-CE 3.35Å; S360-K364 PolarHBondContact O-N 3.49Å; S360-K364 VanDerWaalsContact O-N 3.08Å; E361-K364 IonicContact OE1-NZ 3.47Å; E361-K364 PolarHBondContact OE1-NZ 2.82Å; K364-I367 WeakPolarHBondContact O-CG1 3.31Å; K364-N368 PolarHBondContact O-N 3.34Å; K364-L369 HydrophobicContact CB-CB 4.22Å; K364-L369 HydrophobicContact CB-CD2 4.15Å; K364-L369 HydrophobicContact CD-CD2 4.08Å; K364-L369 HydrophobicContact CG-CD2 3.82Å; K364-L369 WeakPolarHBondContact O-CB 3.26Å; K364-L369 PolarHBondContact O-N 2.96Å
365	K	91.9	Very high	87.8	Confident	143 Å²	143	68 Å²	68	62%	0.622	34%	0.342	S	S	*	.	H	α-helix	trans	-66.7	-41.6	173.3	-73.7	176.9	-177.6	-179.2	0	112.2	E361 Q362 E363 I367 N368	E361-K365 WeakPolarHBondContact O-CG 3.06Å; E361-K365 PolarHBondContact O-N 3.45Å; E361-K365 VanDerWaalsContact O-N 3.11Å; Q362-K365 PolarHBondContact O-N 2.95Å; E363-K365 VanDerWaalsContact C-N 3.28Å; E363-K365 PolarHBondContact O-N 3.06Å; K365-I367 PolarHBondContact O-N 2.89Å; K365-N368 PolarHBondContact O-N 2.9Å; K365-N368 PolarHBondContact O-OD1 2.94Å
366	N	88.8	Confident	87.5	Confident	99 Å²	99	67.1 Å²	67.1	53%	0.529	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-33.6	-179.7	-67.6	-10.5	0	0	0	112.4	Q362 E363	Q362-N366 PolarHBondContact NE2-OD1 3.26Å; Q362-N366 PolarHBondContact O-N 2.81Å; Q362-N366 PolarHBondContact O-OD1 3.07Å; Q362-N366 VanDerWaalsContact O-OD1 3.1Å; E363-N366 WeakPolarHBondContact O-CB 3.33Å; E363-N366 PolarHBondContact O-N 2.87Å; E363-N366 VanDerWaalsContact O-N 3.1Å
367	I	89	Confident	87.4	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.7	178.8	72.6	176.4	0	0	0	113.3	Y321 V323 W356 E363 K364 K365 L369 W378	Y321-I367 HydrophobicContact CD1-CG2 4.01Å; Y321-I367 HydrophobicContact CD2-CG2 4.49Å; Y321-I367 HydrophobicContact CG-CB 4.37Å; Y321-I367 HydrophobicContact CG-CG2 3.84Å; V323-I367 HydrophobicContact CG1-CG2 4.35Å; W356-I367 HydrophobicContact CH2-CD1 3.84Å; W356-I367 HydrophobicContact CZ3-CD1 3.64Å; E363-I367 WeakPolarHBondContact O-CG1 3.31Å; E363-I367 PolarHBondContact O-N 2.74Å; E363-I367 VanDerWaalsContact O-N 3.07Å; K364-I367 WeakPolarHBondContact O-CG1 3.31Å; K365-I367 PolarHBondContact O-N 2.89Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 HydrophobicContact CD1-CB 4.25Å; I367-L369 HydrophobicContact CD1-CD1 4.27Å; I367-L369 HydrophobicContact CG1-CB 4.01Å; I367-L369 PolarHBondContact O-N 2.79Å; I367-W378 HydrophobicContact CB-CH2 3.65Å; I367-W378 HydrophobicContact CB-CZ2 4.15Å; I367-W378 HydrophobicContact CB-CZ3 4.39Å; I367-W378 HydrophobicContact CD1-CH2 3.95Å; I367-W378 HydrophobicContact CD1-CZ2 4.06Å; I367-W378 HydrophobicContact CD1-CZ3 4.23Å; I367-W378 HydrophobicContact CG1-CH2 4.04Å; I367-W378 HydrophobicContact CG1-CZ2 4.11Å; I367-W378 HydrophobicContact CG2-CH2 4.48Å; I367-W378 WeakPolarHBondContact O-CZ2 3.14Å
368	N	87.2	Confident	87.6	Confident	118 Å²	118	57 Å²	57	63%	0.631	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	49.1	-173.6	-66.7	-40.9	0	0	0	113	K364 K365 S370	K364-N368 PolarHBondContact O-N 3.34Å; K365-N368 PolarHBondContact O-N 2.9Å; K365-N368 PolarHBondContact O-OD1 2.94Å; N368-S370 PolarHBondContact O-N 2.77Å
369	L	87.1	Confident	87.8	Confident	37 Å²	37	52.9 Å²	52.9	19%	0.194	28%	0.281	C	S	.	.			trans	-61.4	121.6	-177.3	-171.4	64.3	0	0	0	111.3	W356 K364 I367 F371 W378	W356-L369 HydrophobicContact CD2-CD1 4.44Å; W356-L369 HydrophobicContact CD2-CD2 3.87Å; W356-L369 HydrophobicContact CE3-CD1 4.36Å; W356-L369 HydrophobicContact CE3-CD2 3.6Å; W356-L369 HydrophobicContact CG-CD2 4.46Å; W356-L369 HydrophobicContact CH2-CD1 3.6Å; W356-L369 HydrophobicContact CH2-CD2 4.32Å; W356-L369 HydrophobicContact CZ2-CD1 3.68Å; W356-L369 HydrophobicContact CZ3-CD1 3.98Å; W356-L369 HydrophobicContact CZ3-CD2 3.86Å; K364-L369 HydrophobicContact CB-CB 4.22Å; K364-L369 HydrophobicContact CB-CD2 4.15Å; K364-L369 HydrophobicContact CD-CD2 4.08Å; K364-L369 HydrophobicContact CG-CD2 3.82Å; K364-L369 WeakPolarHBondContact O-CB 3.26Å; K364-L369 PolarHBondContact O-N 2.96Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 HydrophobicContact CD1-CB 4.25Å; I367-L369 HydrophobicContact CD1-CD1 4.27Å; I367-L369 HydrophobicContact CG1-CB 4.01Å; I367-L369 PolarHBondContact O-N 2.79Å; L369-F371 HydrophobicContact CD1-CD1 4.42Å; L369-F371 HydrophobicContact CD1-CE1 3.75Å; L369-F371 HydrophobicContact CD1-CZ 4.34Å; L369-F371 HydrophobicContact CD2-CE1 3.99Å; L369-F371 HydrophobicContact CD2-CE2 4.5Å; L369-F371 HydrophobicContact CD2-CZ 3.7Å; L369-F371 HydrophobicContact CG-CE1 3.89Å; L369-F371 HydrophobicContact CG-CZ 4.07Å; L369-W378 HydrophobicContact CD1-CG 4.49Å; L369-W378 HydrophobicContact CD1-CZ2 4.48Å
370	S	83.3	Confident	88	Confident	52 Å²	52	52.9 Å²	52.9	36%	0.364	28%	0.281	S	S	.	.			trans	-125.8	143.6	170.7	-176.1	0	0	0	0	108.4	N368 T372	N368-S370 PolarHBondContact O-N 2.77Å; S370-T372 WeakPolarHBondContact OG-CG2 3.5Å; S370-T372 PolarHBondContact OG-OG1 2.95Å
371	F	81.4	Confident	88.2	Confident	103 Å²	103	52 Å²	52	45%	0.452	27%	0.27	S	S	.	.			trans	-112.7	80.1	171.1	-60.4	-39.8	0	0	0	108.5	D351 W356 L369	D351-F371 HydrophobicContact CB-CB 4.43Å; D351-F371 HydrophobicContact CB-CD1 3.94Å; D351-F371 HydrophobicContact CB-CG 4.46Å; D351-F371 VanDerWaalsContact OD2-CA 3.24Å; D351-F371 WeakPolarHBondContact OD2-CA 3.47Å; W356-F371 HydrophobicContact CB-CZ 4.23Å; W356-F371 AromaticContact CD1-CE1 3.84Å; W356-F371 AromaticContact CD1-CZ 3.53Å; W356-F371 HydrophobicContact CD2-CE1 4.46Å; W356-F371 HydrophobicContact CD2-CZ 4.2Å; W356-F371 HydrophobicContact CG-CE1 4.32Å; W356-F371 AromaticContact CG-CZ 3.75Å; W356-F371 HydrophobicContact CG-CZ 3.75Å; W356-F371 AromaticContact NE1-CE1 3.67Å; W356-F371 AromaticContact NE1-CZ 3.86Å; L369-F371 HydrophobicContact CD1-CD1 4.42Å; L369-F371 HydrophobicContact CD1-CE1 3.75Å; L369-F371 HydrophobicContact CD1-CZ 4.34Å; L369-F371 HydrophobicContact CD2-CE1 3.99Å; L369-F371 HydrophobicContact CD2-CE2 4.5Å; L369-F371 HydrophobicContact CD2-CZ 3.7Å; L369-F371 HydrophobicContact CG-CE1 3.89Å; L369-F371 HydrophobicContact CG-CZ 4.07Å
372	T	77	Confident	88.3	Confident	61 Å²	61	50.6 Å²	50.6	37%	0.374	26%	0.263	S	S	.	.			trans	-125.7	132.2	-175.8	34.9	0	0	0	0	108	D351 S370 D374	D351-T372 PolarHBondContact OD2-N 3.12Å; S370-T372 WeakPolarHBondContact OG-CG2 3.5Å; S370-T372 PolarHBondContact OG-OG1 2.95Å; T372-D374 PolarHBondContact O-N 3.43Å; T372-D374 PolarHBondContact OG1-OD2 3.32Å
373	A	71.8	Confident	88.6	Confident	77 Å²	77	47.1 Å²	47.1	64%	0.636	25%	0.249	S	C	*	.	S	Bend	trans	-72.2	75.5	175.4	0	0	0	0	0	109.9
374	D	75.9	Confident	88.8	Confident	16 Å²	16	45.4 Å²	45.4	9%	0.086	24%	0.241	C	C	.	.	S	Bend	trans	-127.5	12.5	-176.4	66.2	22.1	0	0	0	112.6	R143 F144 R336 G340 E344 T372 E376	R143-D374 IonicContact NH2-OD1 2.74Å; R143-D374 IonicContact NH2-OD2 3.49Å; R143-D374 PolarHBondContact NH2-OD2 3.31Å; F144-D374 HydrophobicContact CE1-CB 3.82Å; F144-D374 HydrophobicContact CZ-CB 3.77Å; R336-D374 PolarHBondContact NE-O 3Å; G340-D374 WeakPolarHBondContact CA-O 3.22Å; E344-D374 PolarHBondContact OE1-N 2.96Å; T372-D374 PolarHBondContact O-N 3.43Å; T372-D374 PolarHBondContact OG1-OD2 3.32Å; D374-E376 PolarHBondContact O-N 3.3Å; D374-E376 WeakPolarHBondContact OD1-CA 3.41Å; D374-E376 WeakPolarHBondContact OD1-CB 3.35Å; D374-E376 PolarHBondContact OD1-N 2.97Å
375	G	81.7	Confident	89	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	81	-7.8	-177.9	0	0	0	0	0	113.7	R336 N337 E344 F377	R336-G375 CarbonylContact C-O 3.5Å; R336-G375 VanDerWaalsContact CA-O 3.29Å; R336-G375 WeakPolarHBondContact CA-O 3.48Å; N337-G375 PolarHBondContact N-O 3.06Å; E344-G375 WeakPolarHBondContact OE1-CA 3.26Å; E344-G375 PolarHBondContact OE1-N 3.37Å; G375-F377 WeakPolarHBondContact O-CD1 3.31Å
376	E	88.5	Confident	89.1	Confident	23 Å²	23	42.9 Å²	42.9	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131	175.3	-169.4	167.6	109.7	0	0	110.5	R143 R334 L335 D374	R143-E376 IonicContact NH1-OE2 3.35Å; R334-E376 VanDerWaalsContact CD-OE1 3.3Å; R334-E376 WeakPolarHBondContact CD-OE1 3.39Å; R334-E376 HydrophobicContact CG-CG 3.81Å; R334-E376 IonicContact CZ-OE1 3.92Å; R334-E376 IonicContact NE-OE1 2.73Å; R334-E376 IonicContact NH1-OE1 2.79Å; L335-E376 CarbonylContact O-C 3.58Å; L335-E376 VanDerWaalsContact O-CA 3.28Å; L335-E376 WeakPolarHBondContact O-CA 3.5Å; D374-E376 PolarHBondContact O-N 3.3Å; D374-E376 WeakPolarHBondContact OD1-CA 3.41Å; D374-E376 WeakPolarHBondContact OD1-CB 3.35Å; D374-E376 PolarHBondContact OD1-N 2.97Å
377	F	93.1	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	167.2	178.4	60.3	-93.7	0	0	0	111.2	L309 Y315 L335 E344 W345 G375 M379	L309-F377 HydrophobicContact CD2-CE1 4.46Å; L309-F377 HydrophobicContact CD2-CE2 3.94Å; L309-F377 HydrophobicContact CD2-CZ 3.63Å; Y315-F377 AromaticContact CD1-CE1 3.91Å; Y315-F377 HydrophobicContact CD1-CE1 3.91Å; Y315-F377 AromaticContact CD1-CZ 3.91Å; Y315-F377 HydrophobicContact CD1-CZ 3.91Å; Y315-F377 AromaticContact CE1-CE1 3.81Å; Y315-F377 HydrophobicContact CE1-CE1 3.81Å; Y315-F377 AromaticContact CE1-CZ 3.92Å; Y315-F377 HydrophobicContact CE1-CZ 3.92Å; L335-F377 HydrophobicContact CB-CD2 4.21Å; L335-F377 HydrophobicContact CB-CE1 4.12Å; L335-F377 HydrophobicContact CB-CE2 3.64Å; L335-F377 HydrophobicContact CB-CZ 3.58Å; L335-F377 HydrophobicContact CD1-CE2 4.05Å; L335-F377 HydrophobicContact CD2-CE2 4.2Å; L335-F377 HydrophobicContact CD2-CZ 4.19Å; L335-F377 HydrophobicContact CG-CE2 4.2Å; L335-F377 HydrophobicContact CG-CZ 4.4Å; L335-F377 PolarHBondContact N-O 3.36Å; L335-F377 PolarHBondContact O-N 3.19Å; E344-F377 HydrophobicContact CB-CB 4.15Å; E344-F377 HydrophobicContact CB-CD1 4.11Å; E344-F377 HydrophobicContact CB-CG 4.41Å; E344-F377 HydrophobicContact CG-CB 4.41Å; E344-F377 HydrophobicContact CG-CD1 4.14Å; W345-F377 HydrophobicContact CB-CB 4.27Å; W345-F377 HydrophobicContact CB-CD2 3.29Å; W345-F377 HydrophobicContact CB-CE2 3.66Å; W345-F377 HydrophobicContact CB-CG 3.81Å; W345-F377 HydrophobicContact CB-CZ 4.47Å; W345-F377 HydrophobicContact CG-CD2 4.23Å; G375-F377 WeakPolarHBondContact O-CD1 3.31Å; F377-M379 HydrophobicContact CE2-SD 4.33Å
378	W	95.8	Very high	89.7	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.9	-179.6	-63.3	84.2	0	0	0	111.2	Y321 L332 M333 R334 W349 W356 I367 L369	Y321-W378 AromaticContact CD2-CH2 3.61Å; Y321-W378 HydrophobicContact CD2-CH2 3.61Å; Y321-W378 AromaticContact CD2-CZ3 3.65Å; Y321-W378 HydrophobicContact CD2-CZ3 3.65Å; Y321-W378 AromaticContact CE2-CH2 3.94Å; Y321-W378 HydrophobicContact CE2-CH2 3.94Å; Y321-W378 HydrophobicContact CE2-CZ3 4.36Å; Y321-W378 HydrophobicContact CG-CH2 4.45Å; Y321-W378 HydrophobicContact CG-CZ3 4.41Å; L332-W378 HydrophobicContact CB-CE3 3.95Å; L332-W378 HydrophobicContact CB-CZ3 4.28Å; L332-W378 HydrophobicContact CD1-CE3 4.48Å; M333-W378 WeakPolarHBondContact O-CA 3.29Å; R334-W378 HydrophobicContact CB-CD2 4.15Å; R334-W378 HydrophobicContact CB-CE3 3.85Å; R334-W378 HydrophobicContact CB-CH2 3.85Å; R334-W378 HydrophobicContact CB-CZ2 4.17Å; R334-W378 HydrophobicContact CB-CZ3 3.7Å; R334-W378 HydrophobicContact CG-CD2 4.09Å; R334-W378 HydrophobicContact CG-CE3 4.29Å; R334-W378 HydrophobicContact CG-CH2 4.03Å; R334-W378 HydrophobicContact CG-CZ2 3.83Å; R334-W378 HydrophobicContact CG-CZ3 4.27Å; W349-W378 CarbonylContact C-O 3.55Å; W349-W378 VanDerWaalsContact C-O 3.3Å; W349-W378 HydrophobicContact CB-CB 4.41Å; W349-W378 WeakPolarHBondContact O-CB 3.16Å; W356-W378 HydrophobicContact CH2-CB 4.12Å; W356-W378 HydrophobicContact CH2-CD2 4.05Å; W356-W378 HydrophobicContact CH2-CE3 4.45Å; W356-W378 AromaticContact CH2-CG 3.9Å; W356-W378 HydrophobicContact CH2-CG 3.9Å; W356-W378 HydrophobicContact CZ2-CB 3.64Å; W356-W378 AromaticContact CZ2-CD1 3.94Å; W356-W378 HydrophobicContact CZ2-CD2 4.32Å; W356-W378 AromaticContact CZ2-CG 3.68Å; W356-W378 HydrophobicContact CZ2-CG 3.68Å; I367-W378 HydrophobicContact CB-CH2 3.65Å; I367-W378 HydrophobicContact CB-CZ2 4.15Å; I367-W378 HydrophobicContact CB-CZ3 4.39Å; I367-W378 HydrophobicContact CD1-CH2 3.95Å; I367-W378 HydrophobicContact CD1-CZ2 4.06Å; I367-W378 HydrophobicContact CD1-CZ3 4.23Å; I367-W378 HydrophobicContact CG1-CH2 4.04Å; I367-W378 HydrophobicContact CG1-CZ2 4.11Å; I367-W378 HydrophobicContact CG2-CH2 4.48Å; I367-W378 WeakPolarHBondContact O-CZ2 3.14Å; L369-W378 HydrophobicContact CD1-CG 4.49Å; L369-W378 HydrophobicContact CD1-CZ2 4.48Å
379	M	97	Very high	90.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.5	172	68.7	-171.2	-49.9	0	0	110.9	L332 M333 L335 W345 F377 D383 F384 C387 F388	L332-M379 CarbonylContact C-O 3.55Å; L332-M379 WeakPolarHBondContact CA-O 3.45Å; M333-M379 HydrophobicContact CB-CG 4.17Å; M333-M379 PolarHBondContact N-O 3.03Å; M333-M379 PolarHBondContact O-N 3.32Å; L335-M379 HydrophobicContact CD1-CG 3.67Å; L335-M379 HydrophobicContact CD1-SD 3.62Å; L335-M379 HydrophobicContact CD2-SD 4.27Å; W345-M379 HydrophobicContact CD2-CE 4.42Å; W345-M379 HydrophobicContact CE3-CE 4.49Å; W345-M379 HydrophobicContact CG-CB 4.39Å; W345-M379 HydrophobicContact CH2-CE 4.39Å; W345-M379 HydrophobicContact CZ2-CE 4.33Å; W345-M379 HydrophobicContact CZ3-CE 4.45Å; F377-M379 HydrophobicContact CE2-SD 4.33Å; M379-D383 HydrophobicContact CB-CB 4.46Å; M379-D383 HydrophobicContact CE-CB 3.51Å; M379-F384 HydrophobicContact CE-CB 4.27Å; M379-F384 HydrophobicContact CG-CB 4.12Å; M379-F384 HydrophobicContact SD-CB 3.92Å; M379-F384 HydrophobicContact SD-CD2 4.03Å; M379-C387 HydrophobicContact CE-CB 4.26Å; M379-F388 HydrophobicContact CE-CE2 4.32Å; M379-F388 HydrophobicContact SD-CD2 4.2Å; M379-F388 HydrophobicContact SD-CE2 3.72Å
380	S	97.3	Very high	90.5	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	154.6	173	71.3	0	0	0	0	111.1	E382 D383 F384	S380-E382 WeakPolarHBondContact CB-OE2 3.47Å; S380-E382 PolarHBondContact O-N 2.96Å; S380-D383 PolarHBondContact O-N 3.16Å; S380-D383 WeakPolarHBondContact OG-CB 3.19Å; S380-D383 PolarHBondContact OG-N 2.85Å; S380-D383 PolarHBondContact OG-OD2 2.85Å; S380-F384 WeakPolarHBondContact O-CB 3.45Å; S380-F384 PolarHBondContact O-N 2.96Å
381	Y	96.7	Very high	91.1	Very high	35 Å²	35	34.1 Å²	34.1	14%	0.137	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-39.1	170	171.2	-106.2	0	0	0	111.4	L278 I279 W331 M333 F384 V385	L278-Y381 HydrophobicContact CD2-CE2 4.03Å; L278-Y381 HydrophobicContact CG-CE2 4.37Å; I279-Y381 HydrophobicContact CB-CD2 4.44Å; I279-Y381 HydrophobicContact CB-CE2 4.05Å; I279-Y381 HydrophobicContact CD1-CD2 3.81Å; I279-Y381 HydrophobicContact CD1-CE2 4.2Å; I279-Y381 HydrophobicContact CD1-CG 4.24Å; I279-Y381 HydrophobicContact CG1-CD2 4.46Å; W331-Y381 PolarHBondContact O-N 2.82Å; M333-Y381 HydrophobicContact CE-CD2 4.21Å; M333-Y381 HydrophobicContact SD-CD2 4.42Å; Y381-F384 WeakPolarHBondContact O-CB 3.33Å; Y381-F384 PolarHBondContact O-N 3.1Å; Y381-V385 HydrophobicContact CD2-CG1 3.98Å; Y381-V385 HydrophobicContact CE1-CG1 4.25Å; Y381-V385 HydrophobicContact CE2-CG1 3.45Å; Y381-V385 VanDerWaalsContact CE2-CG1 3.45Å; Y381-V385 WeakPolarHBondContact O-CG2 3.32Å; Y381-V385 PolarHBondContact O-N 3.27Å
382	E	95.9	Very high	91.7	Very high	93 Å²	93	29.4 Å²	29.4	44%	0.435	17%	0.168	S	C	.	.	H	α-helix	trans	-62.9	-45.4	179.4	-65	72.8	-159.7	0	0	111.8	Q330 S380 F384 V385 T386	Q330-E382 PolarHBondContact NE2-OE2 3.29Å; S380-E382 WeakPolarHBondContact CB-OE2 3.47Å; S380-E382 PolarHBondContact O-N 2.96Å; E382-F384 VanDerWaalsContact C-N 3.33Å; E382-V385 WeakPolarHBondContact O-CG2 3.38Å; E382-T386 WeakPolarHBondContact O-CB 3.45Å; E382-T386 PolarHBondContact O-N 2.98Å; E382-T386 PolarHBondContact O-OG1 3.34Å
383	D	96.9	Very high	92.5	Very high	45 Å²	45	26.5 Å²	26.5	24%	0.241	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-39.3	175.4	-68.1	-48.6	0	0	0	110.6	W345 M379 S380 T386 C387	W345-D383 HydrophobicContact CH2-CB 4.34Å; W345-D383 HydrophobicContact CZ2-CB 3.97Å; M379-D383 HydrophobicContact CB-CB 4.46Å; M379-D383 HydrophobicContact CE-CB 3.51Å; S380-D383 PolarHBondContact O-N 3.16Å; S380-D383 WeakPolarHBondContact OG-CB 3.19Å; S380-D383 PolarHBondContact OG-N 2.85Å; S380-D383 PolarHBondContact OG-OD2 2.85Å; D383-T386 PolarHBondContact O-N 2.91Å; D383-C387 VanDerWaalsContact O-CB 3.29Å; D383-C387 WeakPolarHBondContact O-CB 3.26Å; D383-C387 PolarHBondContact O-N 3.3Å; D383-C387 PolarHBondContact O-SG 2.88Å
384	F	96.7	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-52.7	-178.4	173.4	-109	0	0	0	111.5	L269 L282 C294 L317 M333 L335 M379 S380 Y381 E382 T386 C387 F388 V391	L269-F384 HydrophobicContact CD1-CD1 4.41Å; L269-F384 HydrophobicContact CD1-CE1 3.85Å; L269-F384 HydrophobicContact CD1-CZ 3.99Å; L269-F384 HydrophobicContact CD2-CE1 4.45Å; L282-F384 HydrophobicContact CD1-CE1 4.3Å; C294-F384 HydrophobicContact CB-CE2 4.12Å; C294-F384 HydrophobicContact CB-CZ 4.22Å; L317-F384 HydrophobicContact CD2-CZ 4.39Å; M333-F384 HydrophobicContact CB-CB 4.39Å; M333-F384 HydrophobicContact CB-CD2 4.47Å; M333-F384 HydrophobicContact CB-CG 4.37Å; M333-F384 HydrophobicContact CG-CB 3.68Å; M333-F384 HydrophobicContact CG-CD1 3.94Å; M333-F384 HydrophobicContact CG-CD2 4.25Å; M333-F384 HydrophobicContact CG-CG 3.7Å; M333-F384 HydrophobicContact SD-CD1 4.38Å; L335-F384 HydrophobicContact CD1-CD2 4.3Å; L335-F384 HydrophobicContact CD2-CD2 4.05Å; L335-F384 HydrophobicContact CD2-CE2 3.94Å; M379-F384 HydrophobicContact CE-CB 4.27Å; M379-F384 HydrophobicContact CG-CB 4.12Å; M379-F384 HydrophobicContact SD-CB 3.92Å; M379-F384 HydrophobicContact SD-CD2 4.03Å; S380-F384 WeakPolarHBondContact O-CB 3.45Å; S380-F384 PolarHBondContact O-N 2.96Å; Y381-F384 WeakPolarHBondContact O-CB 3.33Å; Y381-F384 PolarHBondContact O-N 3.1Å; E382-F384 VanDerWaalsContact C-N 3.33Å; F384-T386 PolarHBondContact O-N 2.98Å; F384-C387 PolarHBondContact O-N 3.31Å; F384-F388 HydrophobicContact CD2-CB 4.25Å; F384-F388 AromaticContact CD2-CD2 3.49Å; F384-F388 HydrophobicContact CD2-CD2 3.49Å; F384-F388 VanDerWaalsContact CD2-CD2 3.49Å; F384-F388 HydrophobicContact CD2-CE2 4.06Å; F384-F388 AromaticContact CD2-CG 3.94Å; F384-F388 HydrophobicContact CD2-CG 3.94Å; F384-F388 HydrophobicContact CE2-CB 4.04Å; F384-F388 HydrophobicContact CE2-CD1 4.35Å; F384-F388 AromaticContact CE2-CD2 3.8Å; F384-F388 HydrophobicContact CE2-CD2 3.8Å; F384-F388 HydrophobicContact CE2-CE2 4.4Å; F384-F388 AromaticContact CE2-CG 3.79Å; F384-F388 HydrophobicContact CE2-CG 3.79Å; F384-F388 HydrophobicContact CG-CD2 4.46Å; F384-F388 WeakPolarHBondContact O-CB 3.29Å; F384-F388 PolarHBondContact O-N 2.65Å; F384-V391 HydrophobicContact CE1-CG2 3.87Å; F384-V391 HydrophobicContact CZ-CG2 3.54Å
385	V	95.6	Very high	94.1	Very high	16 Å²	16	22.6 Å²	22.6	10%	0.097	12%	0.118	C	C	.	.	H	α-helix	trans	-72.4	-10.8	179.3	-57.4	0	0	0	0	113.8	R274 L278 Y381 E382	R274-V385 VanDerWaalsContact NH1-CB 3.33Å; R274-V385 VanDerWaalsContact NH1-CG2 3.29Å; L278-V385 HydrophobicContact CD2-CG1 3.92Å; Y381-V385 HydrophobicContact CD2-CG1 3.98Å; Y381-V385 HydrophobicContact CE1-CG1 4.25Å; Y381-V385 HydrophobicContact CE2-CG1 3.45Å; Y381-V385 VanDerWaalsContact CE2-CG1 3.45Å; Y381-V385 WeakPolarHBondContact O-CG2 3.32Å; Y381-V385 PolarHBondContact O-N 3.27Å; E382-V385 WeakPolarHBondContact O-CG2 3.38Å
386	T	95	Very high	94	Very high	113 Å²	113	23 Å²	23	69%	0.693	12%	0.121	S	C	*	.	H	α-helix	trans	-90.3	-35	174.4	-58.8	0	0	0	0	111.3	E382 D383 F384	E382-T386 WeakPolarHBondContact O-CB 3.45Å; E382-T386 PolarHBondContact O-N 2.98Å; E382-T386 PolarHBondContact O-OG1 3.34Å; D383-T386 PolarHBondContact O-N 2.91Å; F384-T386 PolarHBondContact O-N 2.98Å
387	C	95.2	Very high	93.1	Very high	29 Å²	29	21.9 Å²	21.9	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-93.8	-38.7	-174.3	-66.3	0	0	0	0	113.4	L309 M379 D383 F384	L309-C387 HydrophobicContact CD1-CB 3.82Å; M379-C387 HydrophobicContact CE-CB 4.26Å; D383-C387 VanDerWaalsContact O-CB 3.29Å; D383-C387 WeakPolarHBondContact O-CB 3.26Å; D383-C387 PolarHBondContact O-N 3.3Å; D383-C387 PolarHBondContact O-SG 2.88Å; F384-C387 PolarHBondContact O-N 3.31Å
388	F	95.8	Very high	92.1	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.026	12%	0.12	C	C	.	.			trans	-91.2	146.5	-177.7	-74.1	-97.1	0	0	0	111.6	L269 C294 I296 L309 Y315 L335 M379 F384	L269-F388 WeakPolarHBondContact CB-O 3.23Å; L269-F388 HydrophobicContact CD1-CB 3.6Å; L269-F388 WeakPolarHBondContact CD1-O 3.17Å; C294-F388 HydrophobicContact CB-CD1 3.78Å; C294-F388 HydrophobicContact CB-CE1 4.24Å; C294-F388 HydrophobicContact CB-CG 4.48Å; C294-F388 VanDerWaalsContact SG-CE1 3.56Å; I296-F388 HydrophobicContact CD1-CE1 4.26Å; I296-F388 HydrophobicContact CD1-CZ 4.3Å; I296-F388 HydrophobicContact CG1-CD1 3.74Å; I296-F388 HydrophobicContact CG1-CE1 3.87Å; I296-F388 HydrophobicContact CG1-CG 4.13Å; I296-F388 HydrophobicContact CG1-CZ 4.36Å; L309-F388 HydrophobicContact CD1-CE2 4Å; L309-F388 HydrophobicContact CD1-CZ 4.41Å; L309-F388 HydrophobicContact CD2-CE2 4.47Å; L309-F388 HydrophobicContact CD2-CZ 4.32Å; Y315-F388 AromaticContact CD2-CE1 3.82Å; Y315-F388 HydrophobicContact CD2-CE1 3.82Å; Y315-F388 HydrophobicContact CD2-CZ 4.3Å; Y315-F388 HydrophobicContact CE2-CE1 4.46Å; Y315-F388 HydrophobicContact CG-CE1 4.02Å; Y315-F388 HydrophobicContact CG-CZ 4.25Å; L335-F388 HydrophobicContact CD2-CD2 4.23Å; L335-F388 HydrophobicContact CD2-CE1 3.83Å; L335-F388 HydrophobicContact CD2-CE2 3.45Å; L335-F388 VanDerWaalsContact CD2-CE2 3.45Å; L335-F388 HydrophobicContact CD2-CZ 3.22Å; M379-F388 HydrophobicContact CE-CE2 4.32Å; M379-F388 HydrophobicContact SD-CD2 4.2Å; M379-F388 HydrophobicContact SD-CE2 3.72Å; F384-F388 HydrophobicContact CD2-CB 4.25Å; F384-F388 AromaticContact CD2-CD2 3.49Å; F384-F388 HydrophobicContact CD2-CD2 3.49Å; F384-F388 VanDerWaalsContact CD2-CD2 3.49Å; F384-F388 HydrophobicContact CD2-CE2 4.06Å; F384-F388 AromaticContact CD2-CG 3.94Å; F384-F388 HydrophobicContact CD2-CG 3.94Å; F384-F388 HydrophobicContact CE2-CB 4.04Å; F384-F388 HydrophobicContact CE2-CD1 4.35Å; F384-F388 AromaticContact CE2-CD2 3.8Å; F384-F388 HydrophobicContact CE2-CD2 3.8Å; F384-F388 HydrophobicContact CE2-CE2 4.4Å; F384-F388 AromaticContact CE2-CG 3.79Å; F384-F388 HydrophobicContact CE2-CG 3.79Å; F384-F388 HydrophobicContact CG-CD2 4.46Å; F384-F388 WeakPolarHBondContact O-CB 3.29Å; F384-F388 PolarHBondContact O-N 2.65Å
389	S	95.1	Very high	91	Very high	28 Å²	28	23 Å²	23	20%	0.196	12%	0.121	C	C	.	.			trans	-89	-36.8	179.5	-66.6	0	0	0	0	112.6	L269 S295 D297	L269-S389 WeakPolarHBondContact CB-O 3.2Å; L269-S389 PolarHBondContact N-O 3.14Å; S295-S389 PolarHBondContact O-N 2.95Å; D297-S389 WeakPolarHBondContact CB-OG 3.4Å; D297-S389 VanDerWaalsContact CG-CB 3.47Å; D297-S389 VanDerWaalsContact CG-OG 3.27Å; D297-S389 PolarHBondContact N-OG 2.84Å; D297-S389 WeakPolarHBondContact OD2-CB 3.37Å; D297-S389 PolarHBondContact OD2-OG 3.14Å; D297-S389 VanDerWaalsContact OD2-OG 3.05Å
390	R	94.8	Very high	89.8	Confident	62 Å²	62	23 Å²	23	23%	0.234	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	150.9	-167.8	172.9	174.4	48.2	158.8	-2.2	112.5	S266 L267 C294 S295 E392	S266-R390 WeakPolarHBondContact OG-CD 3.35Å; L267-R390 CarbonylContact O-C 3.43Å; L267-R390 WeakPolarHBondContact O-CA 3.41Å; C294-R390 WeakPolarHBondContact CA-O 3.36Å; C294-R390 VanDerWaalsContact CB-O 3.28Å; C294-R390 WeakPolarHBondContact CB-O 3.41Å; S295-R390 PolarHBondContact N-O 2.87Å; S295-R390 PolarHBondContact O-N 2.76Å; R390-E392 HydrophobicContact CG-CG 4.35Å
391	V	95.5	Very high	88.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.6	167.2	-173.8	0	0	0	0	109.6	L267 L269 L282 G293 C294 L317 F384 V393	L267-V391 HydrophobicContact CB-CB 4.4Å; L267-V391 PolarHBondContact N-O 2.81Å; L267-V391 PolarHBondContact O-N 3.07Å; L269-V391 HydrophobicContact CD1-CG2 3.84Å; L269-V391 HydrophobicContact CD2-CG2 3.93Å; L269-V391 HydrophobicContact CG-CG2 4.09Å; L282-V391 HydrophobicContact CD2-CG1 4.25Å; G293-V391 CarbonylContact O-C 3.55Å; G293-V391 WeakPolarHBondContact O-CA 3.32Å; G293-V391 WeakPolarHBondContact O-CG1 3.29Å; C294-V391 HydrophobicContact CB-CG2 4.33Å; L317-V391 HydrophobicContact CD2-CG1 4.42Å; F384-V391 HydrophobicContact CE1-CG2 3.87Å; F384-V391 HydrophobicContact CZ-CG2 3.54Å; V391-V393 HydrophobicContact CG1-CG2 3.9Å
392	E	95.2	Very high	87.2	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.3	172.7	-62.3	-179.9	97.3	0	0	108.3	S251 Q252 S253 L265 M292 G293 R390	S251-E392 WeakPolarHBondContact CB-OE1 3.33Å; Q252-E392 WeakPolarHBondContact CB-OE2 3.39Å; Q252-E392 PolarHBondContact N-OE2 2.86Å; Q252-E392 VanDerWaalsContact N-OE2 3.1Å; S253-E392 VanDerWaalsContact CB-OE1 3.26Å; S253-E392 WeakPolarHBondContact CB-OE1 3.24Å; S253-E392 PolarHBondContact N-OE1 2.86Å; S253-E392 PolarHBondContact OG-OE1 3.3Å; L265-E392 CarbonylContact O-C 3.58Å; L265-E392 WeakPolarHBondContact O-CA 3.48Å; M292-E392 CarbonylContact C-O 3.6Å; M292-E392 WeakPolarHBondContact CA-O 3.34Å; G293-E392 PolarHBondContact N-O 3.32Å; G293-E392 PolarHBondContact O-N 2.92Å; R390-E392 HydrophobicContact CG-CG 4.35Å
393	V	93.4	Very high	85.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110	-176.1	-176.3	0	0	0	0	109.1	C264 L265 L267 Y285 C290 M292 V391	C264-V393 CarbonylContact C-O 3.59Å; C264-V393 WeakPolarHBondContact CA-O 3.19Å; L265-V393 PolarHBondContact N-O 3.35Å; L265-V393 PolarHBondContact O-N 2.9Å; L267-V393 HydrophobicContact CD1-CG2 4.18Å; Y285-V393 HydrophobicContact CD1-CG1 3.94Å; Y285-V393 HydrophobicContact CD2-CB 4.47Å; Y285-V393 HydrophobicContact CD2-CG1 3.93Å; Y285-V393 HydrophobicContact CD2-CG2 3.85Å; Y285-V393 HydrophobicContact CE1-CG1 4.43Å; Y285-V393 HydrophobicContact CE2-CG1 4.42Å; Y285-V393 HydrophobicContact CE2-CG2 4.14Å; Y285-V393 HydrophobicContact CG-CG1 3.69Å; Y285-V393 HydrophobicContact CG-CG2 4.45Å; C290-V393 HydrophobicContact CB-CG1 3.89Å; M292-V393 HydrophobicContact CG-CG1 4.18Å; M292-V393 HydrophobicContact CG-CG2 4.18Å; V391-V393 HydrophobicContact CG1-CG2 3.9Å
394	C	92.4	Very high	84	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.5	175.7	-176	0	0	0	0	110.7	M256 I263 C264 C290 L291	M256-C394 HydrophobicContact CB-CB 3.7Å; M256-C394 HydrophobicContact CG-CB 4.1Å; M256-C394 HydrophobicContact SD-CB 3.51Å; M256-C394 VanDerWaalsContact SD-CB 3.51Å; I263-C394 CarbonylContact O-C 3.57Å; I263-C394 WeakPolarHBondContact O-CA 3.41Å; C264-C394 WeakPolarHBondContact SG-CB 3.42Å; C264-C394 VanDerWaalsContact SG-SG 3.62Å; C290-C394 CarbonylContact C-O 3.5Å; C290-C394 WeakPolarHBondContact CA-O 3.3Å; L291-C394 HydrophobicContact CB-CB 4.2Å; L291-C394 PolarHBondContact N-O 2.74Å; L291-C394 PolarHBondContact O-N 3.03Å
395	H	88	Confident	82.3	Confident	11 Å²	11	32.4 Å²	32.4	5%	0.051	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.8	168.6	-70.2	-98.2	0	0	0	109.7	G262 I263 Y285 L413	G262-H395 CarbonylContact C-O 3.6Å; G262-H395 WeakPolarHBondContact CA-O 3.49Å; I263-H395 HydrophobicContact CG2-CB 3.96Å; I263-H395 PolarHBondContact N-O 3.45Å; I263-H395 PolarHBondContact O-N 3.21Å; Y285-H395 AromaticContact CD1-CE1 3.8Å; Y285-H395 AromaticContact CD1-NE2 3.94Å; Y285-H395 AromaticContact CE1-CE1 3.66Å; Y285-H395 AromaticContact CE1-NE2 3.61Å; H395-L413 HydrophobicContact CB-CD1 4.15Å
396	L	80.5	Confident	80.4	Confident	9 Å²	9	37.7 Å²	37.7	5%	0.047	19%	0.191	C	C	.	.			trans	-64.9	134.4	176.5	-63.1	177.4	0	0	0	111.3	L169 T260 C289 L401	L169-L396 HydrophobicContact CD1-CD1 4.07Å; L169-L396 HydrophobicContact CD1-CD2 4.09Å; L169-L396 HydrophobicContact CD2-CD1 4.14Å; L169-L396 HydrophobicContact CD2-CD2 4.08Å; T260-L396 HydrophobicContact CG2-CD2 3.78Å; C289-L396 HydrophobicContact CB-CB 4.18Å; C289-L396 HydrophobicContact CB-CD1 3.94Å; C289-L396 HydrophobicContact CB-CG 4.33Å; C289-L396 WeakPolarHBondContact O-CB 3.2Å; C289-L396 WeakPolarHBondContact O-CG 3.28Å; C289-L396 PolarHBondContact O-N 3.19Å; L396-L401 HydrophobicContact CD1-CD1 4.47Å
397	G	70.4	Confident	78.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.			trans	-91.4	-175.9	-176.8	0	0	0	0	0	114.6	E399 S400 R412	G397-E399 PolarHBondContact O-N 3.44Å; G397-S400 PolarHBondContact N-OG 2.94Å; G397-S400 PolarHBondContact O-N 3.16Å; G397-S400 VanDerWaalsContact O-N 3.15Å; G397-S400 PolarHBondContact O-OG 2.98Å; G397-R412 WeakPolarHBondContact O-CD 3.33Å
398	L	70.4	Confident	76.6	Confident	16 Å²	16	39 Å²	39	8%	0.084	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.8	-178.2	-71.2	179.7	0	0	0	113.4	Y72 R412 L413 E415	Y72-L398 PolarHBondContact N-O 2.98Å; L398-R412 HydrophobicContact CD2-CB 4.16Å; L398-L413 WeakPolarHBondContact CD2-O 3.38Å; L398-E415 HydrophobicContact CD1-CB 4.1Å; L398-E415 HydrophobicContact CG-CB 4.29Å
399	E	72.6	Confident	74.4	Confident	9 Å²	9	41.9 Å²	41.9	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.8	-179.1	-59.1	-170.8	158.7	0	0	113.2	Y72 K74 W194 G397	Y72-E399 WeakPolarHBondContact CD2-O 3.37Å; K74-E399 WeakPolarHBondContact CD-OE1 3.34Å; K74-E399 WeakPolarHBondContact CE-OE1 3.4Å; K74-E399 IonicContact NZ-OE1 3.58Å; K74-E399 PolarHBondContact NZ-OE1 3.04Å; W194-E399 PolarHBondContact NE1-OE2 3.48Å; G397-E399 PolarHBondContact O-N 3.44Å
400	S	72.5	Confident	72.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-78.5	-20.6	-172.3	-47	0	0	0	0	114.7	Q172 T260 G397	Q172-S400 PolarHBondContact NE2-O 3.01Å; Q172-S400 PolarHBondContact OE1-O 3.42Å; T260-S400 WeakPolarHBondContact O-CB 3.32Å; T260-S400 PolarHBondContact O-OG 2.56Å; G397-S400 PolarHBondContact N-OG 2.94Å; G397-S400 PolarHBondContact O-N 3.16Å; G397-S400 VanDerWaalsContact O-N 3.15Å; G397-S400 PolarHBondContact O-OG 2.98Å
401	L	70	Confident	70.7	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	-148.1	165	-176.8	-65.1	170.3	0	0	0	109.7	Y72 Q168 L396 Q405 F407 R412	Y72-L401 VanDerWaalsContact CB-O 3.3Å; Y72-L401 WeakPolarHBondContact CB-O 3.42Å; Y72-L401 VanDerWaalsContact CD2-C 3.45Å; Y72-L401 WeakPolarHBondContact CD2-O 3.37Å; Q168-L401 HydrophobicContact CB-CD2 4.05Å; L396-L401 HydrophobicContact CD1-CD1 4.47Å; L401-Q405 HydrophobicContact CB-CB 4.48Å; L401-F407 HydrophobicContact CD1-CB 3.61Å; L401-F407 HydrophobicContact CD1-CG 4.36Å; L401-R412 PolarHBondContact O-NE 2.87Å; L401-R412 PolarHBondContact O-NH1 2.87Å; L401-R412 PolarHBondContact O-NH2 2.74Å
402	E	69.3	Low	69.4	Low	56 Å²	56	51.2 Å²	51.2	26%	0.262	25%	0.249	S	C	.	.			trans	-81.9	140.2	173.1	-75.3	171.8	176.9	0	0	112.3	Y72 K76 N404 Q405 R412	Y72-E402 HydrophobicContact CD1-CB 4.21Å; Y72-E402 HydrophobicContact CD1-CG 3.32Å; Y72-E402 HydrophobicContact CD2-CG 4.35Å; Y72-E402 HydrophobicContact CE1-CB 4.22Å; Y72-E402 HydrophobicContact CE1-CG 2.95Å; Y72-E402 VanDerWaalsContact CE1-OE1 3.28Å; Y72-E402 WeakPolarHBondContact CE1-OE1 3.39Å; Y72-E402 HydrophobicContact CE2-CG 4.09Å; Y72-E402 HydrophobicContact CG-CG 4Å; Y72-E402 PolarHBondContact OH-OE1 2.65Å; K76-E402 IonicContact NZ-OE1 3.7Å; E402-N404 PolarHBondContact O-N 2.92Å; E402-Q405 HydrophobicContact CB-CB 4.21Å; E402-Q405 HydrophobicContact CB-CG 3.77Å; E402-Q405 WeakPolarHBondContact O-CA 3.46Å; E402-Q405 VanDerWaalsContact O-CB 3.3Å; E402-Q405 WeakPolarHBondContact O-CB 3.42Å; E402-Q405 PolarHBondContact O-N 3.47Å; E402-Q405 PolarHBondContact OE2-NE2 2.83Å; E402-R412 VanDerWaalsContact C-NH1 3.26Å; E402-R412 PolarHBondContact O-NH2 3.5Å
403	Y	63	Low	68.5	Low	132 Å²	132	52.2 Å²	52.2	52%	0.518	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-36.5	-171.5	176.4	-93	0	0	0	116.1	T40 D42 R412	T40-Y403 HydrophobicContact CG2-CD1 3.93Å; T40-Y403 HydrophobicContact CG2-CD2 4.34Å; T40-Y403 HydrophobicContact CG2-CE1 3.41Å; T40-Y403 VanDerWaalsContact CG2-CE1 3.41Å; T40-Y403 HydrophobicContact CG2-CE2 3.86Å; T40-Y403 HydrophobicContact CG2-CG 4.37Å; D42-Y403 WeakPolarHBondContact OD2-CA 3.4Å; D42-Y403 WeakPolarHBondContact OD2-CB 3.31Å; D42-Y403 PolarHBondContact OD2-N 3.24Å; Y403-R412 VanDerWaalsContact CA-NH1 3.33Å; Y403-R412 VanDerWaalsContact N-NH1 3.12Å
404	N	62.1	Low	67.9	Low	124 Å²	124	54 Å²	54	66%	0.663	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.5	178.2	64.6	-19.8	0	0	0	115.1	E402 N406	E402-N404 PolarHBondContact O-N 2.92Å; N404-N406 PolarHBondContact O-N 3.39Å; N404-N406 VanDerWaalsContact O-N 3.09Å
405	Q	62.4	Low	67.5	Low	61 Å²	61	54.9 Å²	54.9	29%	0.285	27%	0.268	S	S	.	.			trans	-72.5	100.5	173.3	-77.2	175.2	10.7	0	0	109.5	L401 E402 F407	L401-Q405 HydrophobicContact CB-CB 4.48Å; E402-Q405 HydrophobicContact CB-CB 4.21Å; E402-Q405 HydrophobicContact CB-CG 3.77Å; E402-Q405 WeakPolarHBondContact O-CA 3.46Å; E402-Q405 VanDerWaalsContact O-CB 3.3Å; E402-Q405 WeakPolarHBondContact O-CB 3.42Å; E402-Q405 PolarHBondContact O-N 3.47Å; E402-Q405 PolarHBondContact OE2-NE2 2.83Å; Q405-F407 PolarHBondContact O-N 3.42Å
406	N	54	Low	67.5	Low	128 Å²	128	54.4 Å²	54.4	68%	0.684	27%	0.266	S	S	*	.			trans	-74.3	114.4	162.7	-70.6	-27	0	0	0	108.5	N404	N404-N406 PolarHBondContact O-N 3.39Å; N404-N406 VanDerWaalsContact O-N 3.09Å
407	F	57.1	Low	67.9	Low	24 Å²	24	56.8 Å²	56.8	11%	0.105	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-92.8	107	162.9	-175.1	-97.8	0	0	0	106.7	Y166 C289 L401 Q405 G409 K410	Y166-F407 HydrophobicContact CD1-CE1 4.49Å; Y166-F407 AromaticContact CD1-CE2 3.97Å; Y166-F407 HydrophobicContact CD1-CE2 3.97Å; Y166-F407 AromaticContact CD1-CZ 3.4Å; Y166-F407 HydrophobicContact CD1-CZ 3.4Å; Y166-F407 VanDerWaalsContact CD1-CZ 3.4Å; Y166-F407 HydrophobicContact CE1-CE1 4.46Å; Y166-F407 AromaticContact CE1-CZ 3.68Å; Y166-F407 HydrophobicContact CE1-CZ 3.68Å; Y166-F407 HydrophobicContact CG-CZ 4.23Å; C289-F407 VanDerWaalsContact SG-CD1 3.59Å; L401-F407 HydrophobicContact CD1-CB 3.61Å; L401-F407 HydrophobicContact CD1-CG 4.36Å; Q405-F407 PolarHBondContact O-N 3.42Å; F407-G409 PolarHBondContact O-N 2.81Å; F407-K410 HydrophobicContact CD1-CD 4.25Å; F407-K410 WeakPolarHBondContact O-CB 3.3Å; F407-K410 VanDerWaalsContact O-CD 3.22Å; F407-K410 WeakPolarHBondContact O-CD 3.32Å; F407-K410 VanDerWaalsContact O-CG 3.27Å; F407-K410 WeakPolarHBondContact O-CG 3.47Å; F407-K410 PolarHBondContact O-N 3.11Å; F407-K410 VanDerWaalsContact O-N 3.1Å
408	H	53.8	Low	68.8	Low	146 Å²	146	57.5 Å²	57.5	68%	0.676	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	33.5	-177.8	-61.9	-81.1	0	0	0	116	K410	H408-K410 HydrophobicContact CB-CD 3.88Å; H408-K410 HydrophobicContact CB-CG 4.48Å
409	G	50.9	Low	69.6	Low	65 Å²	65	59.6 Å²	59.6	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	12	177.5	0	0	0	0	0	115.5	F407	F407-G409 PolarHBondContact O-N 2.81Å
410	K	53.3	Low	70.4	Confident	36 Å²	36	60.1 Å²	60.1	16%	0.157	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-94.3	136.4	-168.4	-62.1	157.8	176.2	-147.5	0	111.4	A286 Q287 R288 C289 F407 H408	A286-K410 PolarHBondContact O-NZ 3.47Å; Q287-K410 WeakPolarHBondContact O-CE 3.38Å; Q287-K410 WeakPolarHBondContact O-CG 3.01Å; R288-K410 WeakPolarHBondContact O-CD 3.27Å; R288-K410 WeakPolarHBondContact O-CE 3.45Å; R288-K410 PolarHBondContact O-NZ 3.48Å; C289-K410 HydrophobicContact CB-CB 4.08Å; C289-K410 HydrophobicContact CB-CD 4.42Å; C289-K410 WeakPolarHBondContact SG-CB 3.35Å; F407-K410 HydrophobicContact CD1-CD 4.25Å; F407-K410 WeakPolarHBondContact O-CB 3.3Å; F407-K410 VanDerWaalsContact O-CD 3.22Å; F407-K410 WeakPolarHBondContact O-CD 3.32Å; F407-K410 VanDerWaalsContact O-CG 3.27Å; F407-K410 WeakPolarHBondContact O-CG 3.47Å; F407-K410 PolarHBondContact O-N 3.11Å; F407-K410 VanDerWaalsContact O-N 3.1Å; H408-K410 HydrophobicContact CB-CD 3.88Å; H408-K410 HydrophobicContact CB-CG 4.48Å
411	R	58.9	Low	71.3	Confident	203 Å²	203	63.8 Å²	63.8	77%	0.766	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-81.8	148.4	173.4	-86.3	-179.1	177.5	172.3	-1	111.2
412	R	66.6	Low	72.5	Confident	47 Å²	47	63.7 Å²	63.7	18%	0.177	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-77	153.7	164.2	-59.2	-163.4	-175.2	101.8	50.2	110.3	G397 L398 L401 E402 Y403	G397-R412 WeakPolarHBondContact O-CD 3.33Å; L398-R412 HydrophobicContact CD2-CB 4.16Å; L401-R412 PolarHBondContact O-NE 2.87Å; L401-R412 PolarHBondContact O-NH1 2.87Å; L401-R412 PolarHBondContact O-NH2 2.74Å; E402-R412 VanDerWaalsContact C-NH1 3.26Å; E402-R412 PolarHBondContact O-NH2 3.5Å; Y403-R412 VanDerWaalsContact CA-NH1 3.33Å; Y403-R412 VanDerWaalsContact N-NH1 3.12Å
413	L	77.1	Confident	73.6	Confident	25 Å²	25	62.6 Å²	62.6	13%	0.131	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-81.4	149.4	166.5	-60.3	-179.5	0	0	0	109.3	H395 L398 F550 S551 Q552	H395-L413 HydrophobicContact CB-CD1 4.15Å; L398-L413 WeakPolarHBondContact CD2-O 3.38Å; L413-F550 HydrophobicContact CB-CB 4.47Å; L413-F550 HydrophobicContact CB-CD1 3.8Å; L413-F550 HydrophobicContact CD1-CB 4.18Å; L413-F550 HydrophobicContact CD1-CD1 3.97Å; L413-F550 HydrophobicContact CG-CD1 4.49Å; L413-S551 CarbonylContact C-O 3.55Å; L413-S551 WeakPolarHBondContact CA-O 3.1Å; L413-S551 WeakPolarHBondContact CB-O 3.36Å; L413-Q552 HydrophobicContact CD2-CB 4.48Å; L413-Q552 HydrophobicContact CD2-CG 3.92Å
414	D	80.2	Confident	74.9	Confident	37 Å²	37	62.6 Å²	62.6	20%	0.198	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	150.1	166.8	-162	29.7	0	0	0	109.5	F550 S551 T553 S554 I555	D414-F550 WeakPolarHBondContact O-CA 3.43Å; D414-S551 PolarHBondContact N-O 2.88Å; D414-S551 PolarHBondContact O-N 2.99Å; D414-S551 VanDerWaalsContact O-N 3.11Å; D414-T553 WeakPolarHBondContact CB-O 3.21Å; D414-S554 VanDerWaalsContact OD2-CA 3.28Å; D414-S554 WeakPolarHBondContact OD2-CA 3.25Å; D414-I555 PolarHBondContact OD2-N 2.72Å
415	E	85	Confident	76.1	Confident	20 Å²	20	56.9 Å²	56.9	9%	0.093	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.7	-171.4	179.6	-179.1	-160.7	0	0	111.5	L398 V549 F550	L398-E415 HydrophobicContact CD1-CB 4.1Å; L398-E415 HydrophobicContact CG-CB 4.29Å; E415-V549 WeakPolarHBondContact CA-O 3.22Å; E415-F550 HydrophobicContact CB-CD2 4.49Å; E415-F550 HydrophobicContact CB-CE1 4.49Å; E415-F550 HydrophobicContact CB-CE2 4.21Å; E415-F550 HydrophobicContact CB-CZ 4.2Å; E415-F550 VanDerWaalsContact CD-CZ 3.41Å; E415-F550 HydrophobicContact CG-CD2 4.07Å; E415-F550 HydrophobicContact CG-CE2 3.52Å; E415-F550 HydrophobicContact CG-CZ 3.79Å; E415-F550 VanDerWaalsContact OE1-CE2 3.28Å; E415-F550 WeakPolarHBondContact OE1-CE2 3.36Å; E415-F550 WeakPolarHBondContact OE1-CZ 3.04Å
416	A	87.3	Confident	77.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136	160.6	0	0	0	0	0	109.6	R548 V549 I555 E557	A416-R548 CarbonylContact O-C 3.58Å; A416-R548 WeakPolarHBondContact O-CA 3.45Å; A416-V549 HydrophobicContact CB-CB 4.38Å; A416-V549 PolarHBondContact N-O 3.09Å; A416-V549 PolarHBondContact O-N 2.91Å; A416-I555 HydrophobicContact CB-CB 4.5Å; A416-I555 HydrophobicContact CB-CG2 3.95Å; A416-E557 HydrophobicContact CB-CB 3.73Å; A416-E557 HydrophobicContact CB-CG 4.12Å
417	I	88.2	Confident	79.2	Confident	59 Å²	59	48.5 Å²	48.5	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.1	177.3	-171.9	166	0	0	0	110	I546 L547 R548	I417-I546 HydrophobicContact CD1-CD1 4.15Å; I417-L547 CarbonylContact C-O 3.54Å; I417-L547 WeakPolarHBondContact CA-O 3.33Å; I417-R548 HydrophobicContact CB-CG 4.49Å; I417-R548 HydrophobicContact CD1-CG 4.01Å; I417-R548 HydrophobicContact CG1-CG 3.97Å
418	F	89.4	Confident	81	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.4	173.3	-53.9	-87.5	0	0	0	109.4	F444 I446 I546 L547 E557	F418-F444 HydrophobicContact CB-CD1 3.74Å; F418-F444 HydrophobicContact CB-CE1 3.54Å; F418-F444 HydrophobicContact CB-CG 4.38Å; F418-F444 HydrophobicContact CB-CZ 4.02Å; F418-F444 AromaticContact CD1-CD1 3.27Å; F418-F444 HydrophobicContact CD1-CD1 3.27Å; F418-F444 AromaticContact CD1-CE1 3.74Å; F418-F444 HydrophobicContact CD1-CE1 3.74Å; F418-F444 HydrophobicContact CD1-CG 4.14Å; F418-F444 HydrophobicContact CD2-CB 4.19Å; F418-F444 AromaticContact CD2-CD1 3.99Å; F418-F444 HydrophobicContact CD2-CD1 3.99Å; F418-F444 HydrophobicContact CD2-CG 4.09Å; F418-F444 HydrophobicContact CE1-CB 4.25Å; F418-F444 AromaticContact CE1-CD1 3.69Å; F418-F444 HydrophobicContact CE1-CD1 3.69Å; F418-F444 HydrophobicContact CE1-CG 4.36Å; F418-F444 HydrophobicContact CE2-CB 3.92Å; F418-F444 HydrophobicContact CE2-CD1 4.34Å; F418-F444 HydrophobicContact CE2-CG 4.31Å; F418-F444 HydrophobicContact CG-CB 4.44Å; F418-F444 AromaticContact CG-CD1 3.4Å; F418-F444 HydrophobicContact CG-CD1 3.4Å; F418-F444 AromaticContact CG-CE1 3.75Å; F418-F444 HydrophobicContact CG-CE1 3.75Å; F418-F444 AromaticContact CG-CG 3.96Å; F418-F444 HydrophobicContact CG-CG 3.96Å; F418-F444 HydrophobicContact CZ-CB 3.91Å; F418-F444 HydrophobicContact CZ-CD1 4.17Å; F418-F444 HydrophobicContact CZ-CG 4.39Å; F418-I446 HydrophobicContact CE2-CG2 4.02Å; F418-I446 HydrophobicContact CZ-CG2 4.2Å; F418-I546 CarbonylContact O-C 3.58Å; F418-I546 WeakPolarHBondContact O-CA 3.48Å; F418-L547 HydrophobicContact CB-CB 4.29Å; F418-L547 HydrophobicContact CD2-CB 4.32Å; F418-L547 HydrophobicContact CD2-CD2 4.03Å; F418-L547 HydrophobicContact CD2-CG 4.37Å; F418-L547 HydrophobicContact CE2-CD2 4.48Å; F418-L547 PolarHBondContact N-O 2.86Å; F418-L547 PolarHBondContact O-N 2.89Å; F418-E557 HydrophobicContact CE1-CB 3.97Å; F418-E557 HydrophobicContact CE1-CG 4.26Å; F418-E557 HydrophobicContact CE2-CB 4.35Å; F418-E557 HydrophobicContact CZ-CB 3.56Å; F418-E557 HydrophobicContact CZ-CG 4.29Å
419	S	88.6	Confident	83	Confident	60 Å²	60	40.4 Å²	40.4	42%	0.42	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133	168.3	-58.6	0	0	0	0	108.5
420	G	88	Confident	85.2	Confident	19 Å²	19	37.3 Å²	37.3	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	174.8	-179.3	0	0	0	0	0	112.3	F545	G420-F545 VanDerWaalsContact C-CE1 3.48Å; G420-F545 PolarHBondContact N-O 3.11Å; G420-F545 PolarHBondContact O-N 2.83Å; G420-F545 VanDerWaalsContact O-O 3.05Å
421	Q	92.7	Very high	87.3	Confident	77 Å²	77	35.8 Å²	35.8	36%	0.36	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.1	175.4	57	177.9	5.1	0	0	109.6	Q423 N427 V543 N544	Q421-Q423 HydrophobicContact CG-CG 3.86Å; Q421-N427 PolarHBondContact O-ND2 2.81Å; Q421-N427 PolarHBondContact O-OD1 2.85Å; Q421-V543 WeakPolarHBondContact CA-O 3.37Å; Q421-N544 WeakPolarHBondContact CB-OD1 3.28Å
422	W	94.8	Very high	89.1	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.008	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.1	161.7	-58.8	-71.7	0	0	0	107.8	N427 A428 N441 L466 I482 P534 S535 T536 I541 E542 V543 F545	W422-N427 WeakPolarHBondContact CA-OD1 3.34Å; W422-A428 HydrophobicContact CB-CB 3.91Å; W422-N441 PolarHBondContact NE1-OD1 2.96Å; W422-L466 HydrophobicContact CH2-CD1 4.11Å; W422-L466 HydrophobicContact CH2-CD2 4.12Å; W422-L466 HydrophobicContact CH2-CG 4.39Å; W422-L466 HydrophobicContact CZ2-CD1 4.36Å; W422-L466 HydrophobicContact CZ2-CD2 4.22Å; W422-I482 HydrophobicContact CH2-CB 4.4Å; W422-I482 HydrophobicContact CH2-CG2 3.87Å; W422-I482 HydrophobicContact CZ3-CG2 3.99Å; W422-P534 HydrophobicContact CZ2-CB 4.06Å; W422-P534 PolarHBondContact NE1-O 2.86Å; W422-P534 VanDerWaalsContact NE1-O 3.1Å; W422-S535 VanDerWaalsContact CZ2-C 3.49Å; W422-T536 HydrophobicContact CD2-CG2 4.01Å; W422-T536 HydrophobicContact CE3-CG2 3.75Å; W422-T536 HydrophobicContact CH2-CG2 4.46Å; W422-T536 HydrophobicContact CZ3-CG2 3.99Å; W422-I541 WeakPolarHBondContact CB-O 3.28Å; W422-E542 VanDerWaalsContact O-CA 3.26Å; W422-E542 WeakPolarHBondContact O-CA 3.33Å; W422-V543 HydrophobicContact CE3-CB 3.77Å; W422-V543 HydrophobicContact CE3-CG1 4.1Å; W422-V543 VanDerWaalsContact CE3-O 3.28Å; W422-V543 HydrophobicContact CZ3-CB 4.06Å; W422-V543 HydrophobicContact CZ3-CG1 3.9Å; W422-V543 PolarHBondContact N-O 3.09Å; W422-V543 PolarHBondContact O-N 3.03Å; W422-F545 AromaticContact CD2-CD1 3.61Å; W422-F545 HydrophobicContact CD2-CD1 3.61Å; W422-F545 AromaticContact CD2-CE1 3.76Å; W422-F545 HydrophobicContact CD2-CE1 3.76Å; W422-F545 AromaticContact CE2-CD1 3.63Å; W422-F545 AromaticContact CE2-CE1 3.57Å; W422-F545 HydrophobicContact CE3-CB 4.5Å; W422-F545 AromaticContact CE3-CD1 3.53Å; W422-F545 HydrophobicContact CE3-CD1 3.53Å; W422-F545 HydrophobicContact CE3-CE1 4.19Å; W422-F545 HydrophobicContact CE3-CG 4.38Å; W422-F545 HydrophobicContact CG-CD1 4.41Å; W422-F545 HydrophobicContact CG-CE1 4.21Å; W422-F545 HydrophobicContact CH2-CB 3.84Å; W422-F545 AromaticContact CH2-CD1 3.62Å; W422-F545 HydrophobicContact CH2-CD1 3.62Å; W422-F545 HydrophobicContact CH2-CE1 4.32Å; W422-F545 AromaticContact CH2-CG 3.8Å; W422-F545 HydrophobicContact CH2-CG 3.8Å; W422-F545 AromaticContact CZ2-CD1 3.66Å; W422-F545 HydrophobicContact CZ2-CD1 3.66Å; W422-F545 AromaticContact CZ2-CE1 3.88Å; W422-F545 HydrophobicContact CZ2-CE1 3.88Å; W422-F545 HydrophobicContact CZ2-CG 4.09Å; W422-F545 HydrophobicContact CZ3-CB 3.77Å; W422-F545 AromaticContact CZ3-CD1 3.56Å; W422-F545 HydrophobicContact CZ3-CD1 3.56Å; W422-F545 HydrophobicContact CZ3-CE1 4.46Å; W422-F545 AromaticContact CZ3-CG 3.96Å; W422-F545 HydrophobicContact CZ3-CG 3.96Å; W422-F545 AromaticContact NE1-CE1 3.83Å
423	Q	91.3	Very high	90.4	Very high	33 Å²	33	32 Å²	32	15%	0.154	17%	0.165	C	C	.	.			trans	-117.1	134.9	178.9	-62.9	-175.5	-87.2	0	0	108.8	Q421 N425 V426 N427 A428 N700	Q421-Q423 HydrophobicContact CG-CG 3.86Å; Q423-N425 PolarHBondContact O-N 3.34Å; Q423-V426 HydrophobicContact CB-CB 4.06Å; Q423-V426 HydrophobicContact CB-CG2 4.16Å; Q423-V426 PolarHBondContact O-N 3.37Å; Q423-N427 PolarHBondContact N-OD1 2.84Å; Q423-N427 PolarHBondContact O-N 3.24Å; Q423-A428 VanDerWaalsContact O-CB 3.22Å; Q423-A428 WeakPolarHBondContact O-CB 3.35Å; Q423-A428 PolarHBondContact O-N 2.84Å; Q423-N700 VanDerWaalsContact NE2-CG 3.33Å; Q423-N700 PolarHBondContact NE2-ND2 3.43Å; Q423-N700 VanDerWaalsContact NE2-ND2 3.19Å; Q423-N700 PolarHBondContact NE2-OD1 3.35Å; Q423-N700 VanDerWaalsContact OE1-CG 3.25Å; Q423-N700 PolarHBondContact OE1-ND2 2.84Å; Q423-N700 PolarHBondContact OE1-OD1 2.61Å
424	R	90.5	Very high	91.3	Very high	132 Å²	132	32.7 Å²	32.7	50%	0.498	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.3	-177.5	-172.1	177.2	178.4	-175.8	-1.5	109.9	V426 N540 E542	R424-V426 PolarHBondContact O-N 3.18Å; R424-N540 HydrophobicContact CG-CB 4.08Å; R424-N540 VanDerWaalsContact CG-OD1 3.29Å; R424-N540 WeakPolarHBondContact CG-OD1 3.4Å; R424-E542 HydrophobicContact CB-CG 3.73Å; R424-E542 VanDerWaalsContact CB-OE1 3.31Å; R424-E542 WeakPolarHBondContact CB-OE1 3.4Å; R424-E542 PolarHBondContact N-OE1 3.39Å
425	N	87.7	Confident	91.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-7.1	-180	-56.6	-19.7	0	0	0	116.5	Q423 N540 A680 Y681 I703 Q707	Q423-N425 PolarHBondContact O-N 3.34Å; N425-N540 PolarHBondContact N-OD1 3.18Å; N425-N540 PolarHBondContact OD1-OD1 3.35Å; N425-A680 HydrophobicContact CB-CB 3.86Å; N425-Y681 HydrophobicContact CB-CE2 4.43Å; N425-Y681 PolarHBondContact N-OH 2.87Å; N425-Y681 WeakPolarHBondContact OD1-CE2 3.32Å; N425-I703 HydrophobicContact CB-CG2 4.26Å; N425-I703 WeakPolarHBondContact O-CD1 3.07Å; N425-Q707 PolarHBondContact ND2-NE2 2.75Å; N425-Q707 PolarHBondContact ND2-OE1 2.92Å
426	V	89.7	Confident	92.1	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.03	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-63	-178.5	-176.3	0	0	0	0	111.2	Q423 R424 I699 N700 I703	Q423-V426 HydrophobicContact CB-CB 4.06Å; Q423-V426 HydrophobicContact CB-CG2 4.16Å; Q423-V426 PolarHBondContact O-N 3.37Å; R424-V426 PolarHBondContact O-N 3.18Å; V426-I699 HydrophobicContact CG1-CG2 4.14Å; V426-N700 HydrophobicContact CG1-CB 4.1Å; V426-N700 HydrophobicContact CG2-CB 4.46Å; V426-I703 HydrophobicContact CB-CD1 4.04Å; V426-I703 HydrophobicContact CG1-CD1 4.22Å; V426-I703 HydrophobicContact CG2-CB 4.15Å; V426-I703 HydrophobicContact CG2-CD1 3.73Å; V426-I703 HydrophobicContact CG2-CG2 4.05Å
427	N	92.3	Very high	92.5	Very high	9 Å²	9	43 Å²	43	5%	0.048	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.9	7	-172.6	68.4	-4.3	0	0	0	112.8	Q421 W422 Q423 G429 T440 N441	Q421-N427 PolarHBondContact O-ND2 2.81Å; Q421-N427 PolarHBondContact O-OD1 2.85Å; W422-N427 WeakPolarHBondContact CA-OD1 3.34Å; Q423-N427 PolarHBondContact N-OD1 2.84Å; Q423-N427 PolarHBondContact O-N 3.24Å; N427-G429 PolarHBondContact O-N 3.35Å; N427-T440 VanDerWaalsContact CA-O 3.3Å; N427-T440 WeakPolarHBondContact CA-O 3.23Å; N427-T440 WeakPolarHBondContact CB-O 3.42Å; N427-N441 VanDerWaalsContact O-CA 3.31Å; N427-N441 WeakPolarHBondContact O-CA 3.34Å; N427-N441 PolarHBondContact O-OD1 3.15Å
428	A	95.3	Very high	92.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.			trans	-78.1	64.5	171.9	0	0	0	0	0	111.2	W422 Q423 G430 P539 N540 Y681	W422-A428 HydrophobicContact CB-CB 3.91Å; Q423-A428 VanDerWaalsContact O-CB 3.22Å; Q423-A428 WeakPolarHBondContact O-CB 3.35Å; Q423-A428 PolarHBondContact O-N 2.84Å; A428-G430 VanDerWaalsContact C-N 3.31Å; A428-G430 PolarHBondContact O-N 2.87Å; A428-P539 CarbonylContact O-C 3.52Å; A428-P539 VanDerWaalsContact O-CA 3.31Å; A428-P539 WeakPolarHBondContact O-CA 3.23Å; A428-N540 PolarHBondContact O-N 3.1Å; A428-Y681 PolarHBondContact O-OH 3.25Å
429	G	96	Very high	93.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.			trans	-74.9	-12.8	-168.5	0	0	0	0	0	115.9	N427 N434 T437 Y438 N441	N427-G429 PolarHBondContact O-N 3.35Å; G429-N434 WeakPolarHBondContact O-CB 3.46Å; G429-T437 WeakPolarHBondContact CA-O 3.42Å; G429-T437 CarbonylContact O-C 3.32Å; G429-T437 WeakPolarHBondContact O-CB 3.49Å; G429-T437 PolarHBondContact O-OG1 2.89Å; G429-Y438 PolarHBondContact O-N 2.83Å; G429-N441 PolarHBondContact N-OD1 3.04Å
430	G	97.3	Very high	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.18	C	C	.	.			trans	69.6	-175.6	-172.7	0	0	0	0	0	112	A428 Y438 N441 S535 T536	A428-G430 VanDerWaalsContact C-N 3.31Å; A428-G430 PolarHBondContact O-N 2.87Å; G430-Y438 VanDerWaalsContact O-CD2 3.32Å; G430-Y438 WeakPolarHBondContact O-CD2 3.36Å; G430-N441 PolarHBondContact O-ND2 3.33Å; G430-S535 WeakPolarHBondContact O-CB 3.33Å; G430-S535 PolarHBondContact O-OG 3.14Å; G430-T536 CarbonylContact C-O 3.54Å; G430-T536 WeakPolarHBondContact CA-O 3.27Å
431	C	97.3	Very high	93.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.02	17%	0.171	C	C	.	.	S	Bend	trans	-76.8	176.4	-178.8	72.5	0	0	0	0	112.9	N433 N434 F513 S535 T536 F537	C431-N433 PolarHBondContact O-N 3.43Å; C431-N434 PolarHBondContact N-ND2 2.79Å; C431-N434 WeakPolarHBondContact O-CB 3.31Å; C431-N434 PolarHBondContact O-N 2.77Å; C431-N434 PolarHBondContact O-ND2 3.04Å; C431-N434 VanDerWaalsContact O-ND2 3.17Å; C431-F513 HydrophobicContact CB-CE1 3.8Å; C431-F513 HydrophobicContact CB-CE2 4.02Å; C431-F513 HydrophobicContact CB-CZ 3.51Å; C431-S535 WeakPolarHBondContact CA-OG 3.16Å; C431-T536 PolarHBondContact N-O 3.08Å; C431-F537 PolarHBondContact N-O 2.84Å; C431-F537 PolarHBondContact SG-O 3.24Å
432	I	95	Very high	93.8	Very high	57 Å²	57	33.2 Å²	33.2	29%	0.292	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.1	-176.9	-159.3	168.5	0	0	0	114.6	N434 Y438 M485	I432-N434 PolarHBondContact O-N 3.42Å; I432-Y438 HydrophobicContact CB-CD1 4.43Å; I432-Y438 HydrophobicContact CB-CD2 4.37Å; I432-Y438 HydrophobicContact CB-CE1 4.46Å; I432-Y438 HydrophobicContact CB-CE2 4.43Å; I432-Y438 HydrophobicContact CB-CG 4.39Å; I432-Y438 HydrophobicContact CG1-CD1 4.17Å; I432-Y438 HydrophobicContact CG1-CE1 4.26Å; I432-Y438 VanDerWaalsContact N-CD2 3.34Å; I432-M485 HydrophobicContact CB-CE 3.59Å; I432-M485 HydrophobicContact CB-SD 3.95Å; I432-M485 HydrophobicContact CD1-CE 4.37Å; I432-M485 HydrophobicContact CD1-SD 3.82Å; I432-M485 HydrophobicContact CG1-SD 4.43Å; I432-M485 HydrophobicContact CG2-CE 3.31Å; I432-M485 HydrophobicContact CG2-SD 4.18Å
433	N	95.2	Very high	93.9	Very high	114 Å²	114	33.1 Å²	33.1	61%	0.61	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.3	174.1	-63.2	-22.8	0	0	0	111.4	C431 R435	C431-N433 PolarHBondContact O-N 3.43Å; N433-R435 VanDerWaalsContact C-N 3.35Å; N433-R435 PolarHBondContact O-N 2.8Å
434	N	94.9	Very high	94.1	Very high	40 Å²	40	31.5 Å²	31.5	21%	0.214	15%	0.147	C	C	.	.			trans	-88.3	69.1	176.4	-54	-76	0	0	0	110.3	G429 C431 I432 T436 T437 Y438 F537 P539	G429-N434 WeakPolarHBondContact O-CB 3.46Å; C431-N434 PolarHBondContact N-ND2 2.79Å; C431-N434 WeakPolarHBondContact O-CB 3.31Å; C431-N434 PolarHBondContact O-N 2.77Å; C431-N434 PolarHBondContact O-ND2 3.04Å; C431-N434 VanDerWaalsContact O-ND2 3.17Å; I432-N434 PolarHBondContact O-N 3.42Å; N434-T436 PolarHBondContact O-N 3.32Å; N434-T437 WeakPolarHBondContact CB-OG1 3.37Å; N434-T437 PolarHBondContact O-N 3.14Å; N434-Y438 WeakPolarHBondContact O-CB 3.43Å; N434-Y438 PolarHBondContact O-N 3.1Å; N434-F537 PolarHBondContact ND2-O 2.74Å; N434-P539 WeakPolarHBondContact OD1-CD 3.36Å
435	R	92.6	Very high	94.3	Very high	182 Å²	182	27 Å²	27	69%	0.687	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.9	-171.7	-67.9	-173.3	-179.8	-168.4	-0	115.6	N433 R499 L503	N433-R435 VanDerWaalsContact C-N 3.35Å; N433-R435 PolarHBondContact O-N 2.8Å; R435-R499 PolarHBondContact O-NE 3.4Å; R435-L503 HydrophobicContact CB-CD2 4.02Å; R435-L503 HydrophobicContact CG-CD2 4.11Å
436	T	90.7	Very high	94.6	Very high	80 Å²	80	26.9 Å²	26.9	49%	0.491	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-37.2	177.2	45.9	0	0	0	0	112.2	N434 W439	N434-T436 PolarHBondContact O-N 3.32Å; T436-W439 VanDerWaalsContact O-CD1 3.29Å; T436-W439 PolarHBondContact O-NE1 3.47Å
437	T	94.1	Very high	94.8	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.074	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-18	-168	54.2	0	0	0	0	113.8	G429 N434 W439 T440 Y681	G429-T437 WeakPolarHBondContact CA-O 3.42Å; G429-T437 CarbonylContact O-C 3.32Å; G429-T437 WeakPolarHBondContact O-CB 3.49Å; G429-T437 PolarHBondContact O-OG1 2.89Å; N434-T437 WeakPolarHBondContact CB-OG1 3.37Å; N434-T437 PolarHBondContact O-N 3.14Å; T437-W439 PolarHBondContact O-N 2.82Å; T437-T440 PolarHBondContact O-N 2.84Å; T437-T440 PolarHBondContact O-OG1 3.38Å; T437-Y681 HydrophobicContact CG2-CD1 3.49Å; T437-Y681 VanDerWaalsContact CG2-CD1 3.49Å; T437-Y681 HydrophobicContact CG2-CD2 4.17Å; T437-Y681 HydrophobicContact CG2-CE1 3.95Å; T437-Y681 HydrophobicContact CG2-CG 3.6Å
438	Y	96.2	Very high	94.8	Very high	8 Å²	8	27.2 Å²	27.2	3%	0.031	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-50.6	-38.1	-176.2	173.6	-111.4	0	0	0	113.9	G429 G430 I432 N434 T440 N441 M485 Y487 L502 I533	G429-Y438 PolarHBondContact O-N 2.83Å; G430-Y438 VanDerWaalsContact O-CD2 3.32Å; G430-Y438 WeakPolarHBondContact O-CD2 3.36Å; I432-Y438 HydrophobicContact CB-CD1 4.43Å; I432-Y438 HydrophobicContact CB-CD2 4.37Å; I432-Y438 HydrophobicContact CB-CE1 4.46Å; I432-Y438 HydrophobicContact CB-CE2 4.43Å; I432-Y438 HydrophobicContact CB-CG 4.39Å; I432-Y438 HydrophobicContact CG1-CD1 4.17Å; I432-Y438 HydrophobicContact CG1-CE1 4.26Å; I432-Y438 VanDerWaalsContact N-CD2 3.34Å; N434-Y438 WeakPolarHBondContact O-CB 3.43Å; N434-Y438 PolarHBondContact O-N 3.1Å; Y438-T440 PolarHBondContact O-N 2.68Å; Y438-N441 PolarHBondContact O-N 3.43Å; Y438-N441 PolarHBondContact O-ND2 3.25Å; Y438-M485 WeakPolarHBondContact OH-CB 3.21Å; Y438-Y487 HydrophobicContact CE1-CE2 4.46Å; Y438-Y487 WeakPolarHBondContact CE1-OH 3.18Å; Y438-Y487 PolarHBondContact OH-OH 3.46Å; Y438-L502 HydrophobicContact CD1-CD1 4.14Å; Y438-L502 HydrophobicContact CE1-CD1 4.09Å; Y438-I533 HydrophobicContact CE1-CD1 4.32Å; Y438-I533 HydrophobicContact CE2-CG2 4.01Å; Y438-I533 WeakPolarHBondContact OH-CB 3.32Å
439	W	94.8	Very high	94.4	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.03	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-67.8	-19.4	-177.3	77.6	-81.3	0	0	0	114	T436 T437 N441 Q443 R499 L502 R684 E685	T436-W439 VanDerWaalsContact O-CD1 3.29Å; T436-W439 PolarHBondContact O-NE1 3.47Å; T437-W439 PolarHBondContact O-N 2.82Å; W439-N441 VanDerWaalsContact C-N 3.3Å; W439-Q443 PolarHBondContact O-NE2 3Å; W439-Q443 VanDerWaalsContact O-NE2 3.1Å; W439-R499 HydrophobicContact CB-CB 4.16Å; W439-R499 HydrophobicContact CD2-CB 3.99Å; W439-R499 HydrophobicContact CG-CB 3.64Å; W439-R499 HydrophobicContact CG-CG 4.19Å; W439-L502 HydrophobicContact CB-CD1 3.67Å; W439-R684 HydrophobicContact CH2-CB 4.23Å; W439-R684 HydrophobicContact CH2-CG 3.95Å; W439-E685 HydrophobicContact CH2-CG 3.92Å; W439-E685 HydrophobicContact CZ2-CG 3.33Å
440	T	94.2	Very high	94	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-79.2	-13.5	-179.8	71	0	0	0	0	113	N427 T437 Y438	N427-T440 VanDerWaalsContact CA-O 3.3Å; N427-T440 WeakPolarHBondContact CA-O 3.23Å; N427-T440 WeakPolarHBondContact CB-O 3.42Å; T437-T440 PolarHBondContact O-N 2.84Å; T437-T440 PolarHBondContact O-OG1 3.38Å; Y438-T440 PolarHBondContact O-N 2.68Å
441	N	96.3	Very high	93.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.196	C	C	.	.	S	Bend	trans	-55.9	149.2	173.9	-72	-71.9	0	0	0	110.9	W422 N427 G429 G430 Y438 W439 Q443 I533 S535	W422-N441 PolarHBondContact NE1-OD1 2.96Å; N427-N441 VanDerWaalsContact O-CA 3.31Å; N427-N441 WeakPolarHBondContact O-CA 3.34Å; N427-N441 PolarHBondContact O-OD1 3.15Å; G429-N441 PolarHBondContact N-OD1 3.04Å; G430-N441 PolarHBondContact O-ND2 3.33Å; Y438-N441 PolarHBondContact O-N 3.43Å; Y438-N441 PolarHBondContact O-ND2 3.25Å; W439-N441 VanDerWaalsContact C-N 3.3Å; N441-Q443 WeakPolarHBondContact O-CG 3.34Å; N441-I533 HydrophobicContact CB-CG2 3.76Å; N441-S535 WeakPolarHBondContact OD1-CB 3.45Å
442	P	94.7	Very high	93.1	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.026	20%	0.196	C	C	.	.			trans	-51.4	142.5	171.9	-27.3	37	0	0	0	111.8	F444 P534 F545	P442-F444 HydrophobicContact CB-CE2 3.76Å; P442-F444 HydrophobicContact CB-CZ 3.86Å; P442-P534 WeakPolarHBondContact O-CD 3.48Å; P442-F545 HydrophobicContact CB-CZ 4.04Å; P442-F545 HydrophobicContact CG-CE1 4.13Å; P442-F545 HydrophobicContact CG-CZ 3.89Å
443	Q	96.4	Very high	92.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.8	-178.2	-53.2	-173.5	19.6	0	0	109.7	W439 N441 L496 L497 V531 I533 L560	W439-Q443 PolarHBondContact O-NE2 3Å; W439-Q443 VanDerWaalsContact O-NE2 3.1Å; N441-Q443 WeakPolarHBondContact O-CG 3.34Å; Q443-L496 HydrophobicContact CB-CD2 4.02Å; Q443-L496 HydrophobicContact CG-CD2 3.9Å; Q443-L497 PolarHBondContact NE2-O 3.48Å; Q443-L497 VanDerWaalsContact OE1-CB 3.29Å; Q443-V531 HydrophobicContact CB-CG1 3.97Å; Q443-I533 HydrophobicContact CB-CG1 4.44Å; Q443-I533 HydrophobicContact CG-CD1 4.09Å; Q443-I533 HydrophobicContact CG-CG1 4.05Å; Q443-L560 HydrophobicContact CB-CB 4.11Å; Q443-L560 HydrophobicContact CB-CD1 4.14Å; Q443-L560 WeakPolarHBondContact O-CB 3.39Å; Q443-L560 PolarHBondContact O-N 3.34Å
444	F	95.2	Very high	91.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.7	-175.8	-58.6	-77.5	0	0	0	110.4	F418 P442 V531 V532 P534 F545 L547 E559	F418-F444 HydrophobicContact CB-CD1 3.74Å; F418-F444 HydrophobicContact CB-CE1 3.54Å; F418-F444 HydrophobicContact CB-CG 4.38Å; F418-F444 HydrophobicContact CB-CZ 4.02Å; F418-F444 AromaticContact CD1-CD1 3.27Å; F418-F444 HydrophobicContact CD1-CD1 3.27Å; F418-F444 AromaticContact CD1-CE1 3.74Å; F418-F444 HydrophobicContact CD1-CE1 3.74Å; F418-F444 HydrophobicContact CD1-CG 4.14Å; F418-F444 HydrophobicContact CD2-CB 4.19Å; F418-F444 AromaticContact CD2-CD1 3.99Å; F418-F444 HydrophobicContact CD2-CD1 3.99Å; F418-F444 HydrophobicContact CD2-CG 4.09Å; F418-F444 HydrophobicContact CE1-CB 4.25Å; F418-F444 AromaticContact CE1-CD1 3.69Å; F418-F444 HydrophobicContact CE1-CD1 3.69Å; F418-F444 HydrophobicContact CE1-CG 4.36Å; F418-F444 HydrophobicContact CE2-CB 3.92Å; F418-F444 HydrophobicContact CE2-CD1 4.34Å; F418-F444 HydrophobicContact CE2-CG 4.31Å; F418-F444 HydrophobicContact CG-CB 4.44Å; F418-F444 AromaticContact CG-CD1 3.4Å; F418-F444 HydrophobicContact CG-CD1 3.4Å; F418-F444 AromaticContact CG-CE1 3.75Å; F418-F444 HydrophobicContact CG-CE1 3.75Å; F418-F444 AromaticContact CG-CG 3.96Å; F418-F444 HydrophobicContact CG-CG 3.96Å; F418-F444 HydrophobicContact CZ-CB 3.91Å; F418-F444 HydrophobicContact CZ-CD1 4.17Å; F418-F444 HydrophobicContact CZ-CG 4.39Å; P442-F444 HydrophobicContact CB-CE2 3.76Å; P442-F444 HydrophobicContact CB-CZ 3.86Å; F444-V531 CarbonylContact O-C 3.56Å; F444-V531 WeakPolarHBondContact O-CA 3.15Å; F444-V532 PolarHBondContact N-O 3.47Å; F444-V532 PolarHBondContact O-N 2.97Å; F444-P534 HydrophobicContact CD2-CG 3.94Å; F444-P534 HydrophobicContact CE2-CG 3.62Å; F444-F545 AromaticContact CE2-CE2 3.82Å; F444-F545 HydrophobicContact CE2-CE2 3.82Å; F444-F545 HydrophobicContact CE2-CZ 4Å; F444-F545 HydrophobicContact CZ-CE2 4.03Å; F444-F545 HydrophobicContact CZ-CZ 4.16Å; F444-L547 HydrophobicContact CB-CD2 3.99Å; F444-L547 HydrophobicContact CD2-CD2 3.48Å; F444-L547 VanDerWaalsContact CD2-CD2 3.48Å; F444-L547 HydrophobicContact CE2-CD2 4.21Å; F444-L547 HydrophobicContact CG-CD2 3.89Å; F444-E559 HydrophobicContact CD1-CB 4.05Å; F444-E559 HydrophobicContact CD1-CG 4.06Å; F444-E559 HydrophobicContact CE1-CB 4.1Å; F444-E559 HydrophobicContact CE1-CG 3.76Å
445	R	95.2	Very high	90.8	Very high	36 Å²	36	41.2 Å²	41.2	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.9	172.4	-179	-178.7	173.7	-174.8	0.6	109.8	D491 L493 S529 Y530 Q558 L560	R445-D491 PolarHBondContact NH1-O 3.06Å; R445-D491 PolarHBondContact NH2-O 3.04Å; R445-L493 PolarHBondContact NH1-O 2.87Å; R445-S529 PolarHBondContact NE-OG 3.21Å; R445-S529 PolarHBondContact NH2-OG 2.86Å; R445-Y530 CarbonylContact C-O 3.47Å; R445-Y530 VanDerWaalsContact CA-O 3.31Å; R445-Y530 WeakPolarHBondContact CA-O 3.41Å; R445-Q558 HydrophobicContact CB-CB 4.33Å; R445-Q558 PolarHBondContact N-O 3.41Å; R445-Q558 PolarHBondContact O-N 2.99Å; R445-L560 HydrophobicContact CB-CD1 4.29Å; R445-L560 HydrophobicContact CB-CD2 3.95Å; R445-L560 HydrophobicContact CB-CG 4.04Å
446	I	93.6	Very high	90.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.3	168.4	59.8	171.9	0	0	0	109.6	F418 V462 I464 S529 Y530 V532 V549 I555 T556	F418-I446 HydrophobicContact CE2-CG2 4.02Å; F418-I446 HydrophobicContact CZ-CG2 4.2Å; I446-V462 HydrophobicContact CD1-CG1 4.16Å; I446-I464 HydrophobicContact CD1-CD1 4.44Å; I446-S529 CarbonylContact O-C 3.59Å; I446-S529 VanDerWaalsContact O-CA 3.31Å; I446-S529 WeakPolarHBondContact O-CA 3.37Å; I446-Y530 PolarHBondContact N-O 2.8Å; I446-Y530 PolarHBondContact O-N 2.76Å; I446-V532 HydrophobicContact CD1-CG2 3.98Å; I446-V532 HydrophobicContact CG1-CG2 4.25Å; I446-V549 HydrophobicContact CD1-CG1 3.77Å; I446-V549 HydrophobicContact CD1-CG2 4.36Å; I446-V549 HydrophobicContact CG2-CB 4.48Å; I446-V549 HydrophobicContact CG2-CG1 4.49Å; I446-V549 HydrophobicContact CG2-CG2 4.05Å; I446-I555 HydrophobicContact CB-CG2 4.32Å; I446-I555 HydrophobicContact CG2-CG2 4.46Å; I446-T556 CarbonylContact C-O 3.59Å; I446-T556 WeakPolarHBondContact CA-O 3.1Å
447	T	94.5	Very high	90	Very high	21 Å²	21	40.4 Å²	40.4	13%	0.129	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.2	173.4	-51.9	0	0	0	0	109.3	E449 G528 S529 I555 T556	T447-E449 HydrophobicContact CG2-CG 4.1Å; T447-G528 WeakPolarHBondContact CA-O 3.3Å; T447-S529 WeakPolarHBondContact CG2-OG 3.36Å; T447-S529 PolarHBondContact OG1-OG 3.44Å; T447-I555 WeakPolarHBondContact O-CA 3.22Å; T447-T556 PolarHBondContact N-O 3.39Å; T447-T556 PolarHBondContact O-N 2.78Å
448	V	92.1	Very high	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.4	173.2	-72.9	0	0	0	0	107.8	C460 V462 V525 P527 G528 Y530 I555	V448-C460 HydrophobicContact CB-CB 4.12Å; V448-C460 HydrophobicContact CG2-CB 3.86Å; V448-V462 HydrophobicContact CG1-CG2 4.02Å; V448-V462 HydrophobicContact CG2-CG2 4.3Å; V448-V525 HydrophobicContact CG2-CG2 4.22Å; V448-P527 CarbonylContact O-C 3.58Å; V448-P527 VanDerWaalsContact O-CA 3.26Å; V448-P527 WeakPolarHBondContact O-CA 3.42Å; V448-G528 PolarHBondContact N-O 3.29Å; V448-G528 PolarHBondContact O-N 2.86Å; V448-Y530 HydrophobicContact CG2-CD2 4.42Å; V448-Y530 HydrophobicContact CG2-CE2 3.98Å; V448-I555 HydrophobicContact CG1-CG1 4.2Å
449	E	86.7	Confident	89.6	Confident	125 Å²	125	48.6 Å²	48.6	58%	0.584	26%	0.256	S	S	*	.			trans	-93.2	-33.8	-167.7	-65.2	-177.4	-179.6	0	0	113	T447 P527	T447-E449 HydrophobicContact CG2-CG 4.1Å; E449-P527 WeakPolarHBondContact O-CB 3.03Å
450	D	88	Confident	89.4	Confident	95 Å²	95	48.2 Å²	48.2	51%	0.508	25%	0.254	S	S	.	.	S	Bend	trans	-114.8	139.1	-175.2	-65.2	-53.7	0	0	0	111.4	C460 T553	D450-C460 PolarHBondContact O-SG 2.84Å; D450-T553 HydrophobicContact CB-CG2 3.86Å; D450-T553 WeakPolarHBondContact O-CB 3.44Å; D450-T553 WeakPolarHBondContact O-CG2 3.42Å; D450-T553 PolarHBondContact O-OG1 3.44Å
451	P	89.1	Confident	89.2	Confident	39 Å²	39	48.6 Å²	48.6	25%	0.253	26%	0.258	S	S	.	.			trans	-65.2	161.8	171.6	31	-36.4	0	0	0	111.6	K459 T553	P451-K459 WeakPolarHBondContact CA-O 2.96Å; P451-T553 WeakPolarHBondContact O-CG2 3.46Å
452	D	85.2	Confident	89	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.258	C	S	.	.			trans	-58.3	132.2	177.3	-74.7	-3.1	0	0	0	110.1	D454 K459 S461 R524 Q552	D452-D454 PolarHBondContact O-N 3.22Å; D452-K459 PolarHBondContact N-O 2.91Å; D452-S461 VanDerWaalsContact CG-N 3.3Å; D452-S461 PolarHBondContact OD1-N 2.94Å; D452-S461 WeakPolarHBondContact OD2-CB 3.44Å; D452-S461 PolarHBondContact OD2-N 2.88Å; D452-S461 VanDerWaalsContact OD2-N 3.16Å; D452-S461 PolarHBondContact OD2-OG 3.21Å; D452-R524 IonicContact OD2-NH1 2.76Å; D452-R524 IonicContact OD2-NH2 3.17Å; D452-Q552 PolarHBondContact OD2-NE2 2.51Å
453	P	82	Confident	89	Confident	76 Å²	76	49 Å²	49	49%	0.494	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.9	-172.6	29.6	-36.4	0	0	0	114.2
454	D	77	Confident	89	Confident	118 Å²	118	49.1 Å²	49.1	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	4.7	-168.9	-60.5	-28.5	0	0	0	113.1	D452	D452-D454 PolarHBondContact O-N 3.22Å
455	D	78.7	Confident	89	Confident	52 Å²	52	49.1 Å²	49.1	28%	0.278	26%	0.26	S	S	.	.			trans	-141.5	162.5	175.7	63.7	51.8	0	0	0	113.4	R524	D455-R524 IonicContact OD1-NH2 3.32Å; D455-R524 PolarHBondContact OD1-NH2 2.74Å; D455-R524 IonicContact OD2-CZ 3.97Å; D455-R524 IonicContact OD2-NH1 2.81Å; D455-R524 PolarHBondContact OD2-NH1 2.85Å; D455-R524 IonicContact OD2-NH2 2.89Å; D455-R524 PolarHBondContact OD2-NH2 3.05Å
456	D	80	Confident	89.2	Confident	178 Å²	178	47.4 Å²	47.4	95%	0.952	25%	0.254	S	S	*	.	S	Bend	trans	-102.8	16.6	-172.4	-66.7	-43.8	0	0	0	112.8
457	D	86.7	Confident	89.4	Confident	68 Å²	68	47.3 Å²	47.3	36%	0.364	25%	0.253	S	S	.	.	S	Bend	trans	-91.7	-3.7	-175	90.5	-10.9	0	0	0	114.4	K459 R524	D457-K459 VanDerWaalsContact C-N 3.29Å; D457-K459 PolarHBondContact O-N 3.23Å; D457-K459 WeakPolarHBondContact OD1-CB 3.3Å; D457-K459 PolarHBondContact OD1-N 3Å; D457-R524 IonicContact OD1-CZ 2.56Å; D457-R524 IonicContact OD1-NE 3.69Å; D457-R524 IonicContact OD1-NH2 2.67Å; D457-R524 PolarHBondContact OD1-NH2 2.95Å; D457-R524 IonicContact OD2-CZ 3.85Å; D457-R524 VanDerWaalsContact OD2-CZ 3.25Å; D457-R524 IonicContact OD2-NE 3.84Å; D457-R524 PolarHBondContact OD2-NE 3.35Å; D457-R524 IonicContact OD2-NH2 2.67Å; D457-R524 PolarHBondContact OD2-NH2 2.91Å
458	N	89.2	Confident	89.5	Confident	109 Å²	109	46.3 Å²	46.3	58%	0.583	25%	0.247	S	C	*	.			trans	56.7	37.7	-179.5	-163.9	56.5	0	0	0	113.5
459	K	91.6	Very high	89.6	Confident	82 Å²	82	47 Å²	47	36%	0.357	25%	0.251	S	S	.	.			trans	-123.6	161.4	174.4	-60	-179.1	-175.3	173.5	0	111.7	P451 D452 D457 R524 V525	P451-K459 WeakPolarHBondContact CA-O 2.96Å; D452-K459 PolarHBondContact N-O 2.91Å; D457-K459 VanDerWaalsContact C-N 3.29Å; D457-K459 PolarHBondContact O-N 3.23Å; D457-K459 WeakPolarHBondContact OD1-CB 3.3Å; D457-K459 PolarHBondContact OD1-N 3Å; K459-R524 HydrophobicContact CB-CB 4.45Å; K459-R524 HydrophobicContact CD-CB 4.01Å; K459-V525 CarbonylContact C-O 3.56Å; K459-V525 WeakPolarHBondContact CA-O 3.29Å; K459-V525 WeakPolarHBondContact CB-O 3.39Å
460	C	91	Very high	89.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.5	173	-47.5	0	0	0	0	109.2	V448 D450 V462 R524 V525	V448-C460 HydrophobicContact CB-CB 4.12Å; V448-C460 HydrophobicContact CG2-CB 3.86Å; D450-C460 PolarHBondContact O-SG 2.84Å; C460-V462 HydrophobicContact CB-CG2 4.29Å; C460-R524 WeakPolarHBondContact O-CA 3.38Å; C460-V525 HydrophobicContact CB-CG2 4.39Å; C460-V525 PolarHBondContact N-O 2.77Å; C460-V525 PolarHBondContact O-N 3Å; C460-V525 VanDerWaalsContact O-N 3.07Å
461	S	89.6	Confident	90	Very high	12 Å²	12	39.9 Å²	39.9	8%	0.084	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121	163.7	-67.4	0	0	0	0	109.5	D452 R524 S551	D452-S461 VanDerWaalsContact CG-N 3.3Å; D452-S461 PolarHBondContact OD1-N 2.94Å; D452-S461 WeakPolarHBondContact OD2-CB 3.44Å; D452-S461 PolarHBondContact OD2-N 2.88Å; D452-S461 VanDerWaalsContact OD2-N 3.16Å; D452-S461 PolarHBondContact OD2-OG 3.21Å; S461-R524 PolarHBondContact OG-NH1 3.13Å; S461-S551 WeakPolarHBondContact O-CA 3.34Å; S461-S551 WeakPolarHBondContact O-CB 3.2Å; S461-S551 PolarHBondContact O-OG 3.37Å
462	V	92.9	Very high	90.3	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.1	178.3	-176.2	0	0	0	0	109	I446 V448 C460 I464 Q522 F523 V525 V549 F550	I446-V462 HydrophobicContact CD1-CG1 4.16Å; V448-V462 HydrophobicContact CG1-CG2 4.02Å; V448-V462 HydrophobicContact CG2-CG2 4.3Å; C460-V462 HydrophobicContact CB-CG2 4.29Å; V462-I464 HydrophobicContact CG1-CD1 4.28Å; V462-I464 HydrophobicContact CG1-CG1 3.89Å; V462-Q522 CarbonylContact O-C 3.42Å; V462-Q522 WeakPolarHBondContact O-CA 3.26Å; V462-F523 PolarHBondContact N-O 2.88Å; V462-F523 PolarHBondContact O-N 2.76Å; V462-V525 HydrophobicContact CG2-CG2 3.76Å; V462-V549 HydrophobicContact CG1-CG1 3.55Å; V462-F550 WeakPolarHBondContact CA-O 3.21Å
463	L	93.9	Very high	90.7	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.4	174.6	174.1	64.2	0	0	0	108.8	I263 L265 Q522 V549 F550	I263-L463 HydrophobicContact CB-CD2 4.44Å; I263-L463 HydrophobicContact CD1-CD2 4.15Å; I263-L463 HydrophobicContact CD1-CG 3.95Å; I263-L463 HydrophobicContact CG1-CD2 4.09Å; I263-L463 HydrophobicContact CG1-CG 4.35Å; I263-L463 HydrophobicContact CG2-CD2 3.53Å; I263-L463 HydrophobicContact CG2-CG 4.44Å; L265-L463 HydrophobicContact CD1-CD1 4.2Å; L463-Q522 HydrophobicContact CD1-CB 4.1Å; L463-V549 CarbonylContact O-C 3.55Å; L463-V549 WeakPolarHBondContact O-CA 3.27Å; L463-F550 HydrophobicContact CB-CB 4.14Å; L463-F550 PolarHBondContact N-O 3.43Å; L463-F550 PolarHBondContact O-N 3.14Å
464	I	96.4	Very high	91.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.6	-178.9	-55.4	-178.2	0	0	0	108.8	I446 V462 F484 V486 T520 A521 F523 V532 L547 R548 V549	I446-I464 HydrophobicContact CD1-CD1 4.44Å; V462-I464 HydrophobicContact CG1-CD1 4.28Å; V462-I464 HydrophobicContact CG1-CG1 3.89Å; I464-F484 HydrophobicContact CB-CE1 4.29Å; I464-F484 HydrophobicContact CB-CE2 3.83Å; I464-F484 HydrophobicContact CB-CZ 3.57Å; I464-F484 HydrophobicContact CD1-CE2 4.18Å; I464-F484 HydrophobicContact CG2-CD1 4.29Å; I464-F484 HydrophobicContact CG2-CD2 4.16Å; I464-F484 HydrophobicContact CG2-CE1 3.84Å; I464-F484 HydrophobicContact CG2-CE2 3.73Å; I464-F484 HydrophobicContact CG2-CG 4.42Å; I464-F484 HydrophobicContact CG2-CZ 3.53Å; I464-V486 HydrophobicContact CD1-CG2 3.86Å; I464-T520 CarbonylContact O-C 3.53Å; I464-T520 VanDerWaalsContact O-CA 3.26Å; I464-T520 WeakPolarHBondContact O-CA 3.38Å; I464-A521 PolarHBondContact N-O 2.67Å; I464-A521 PolarHBondContact O-N 2.89Å; I464-F523 HydrophobicContact CB-CE2 4.33Å; I464-F523 HydrophobicContact CD1-CD2 4.12Å; I464-F523 HydrophobicContact CD1-CE2 3.9Å; I464-F523 HydrophobicContact CG1-CD2 4.34Å; I464-F523 HydrophobicContact CG1-CE2 4.15Å; I464-V532 HydrophobicContact CD1-CG1 4.41Å; I464-V532 HydrophobicContact CD1-CG2 3.83Å; I464-V532 HydrophobicContact CG2-CG1 4.28Å; I464-L547 HydrophobicContact CG2-CD1 3.62Å; I464-R548 CarbonylContact C-O 3.16Å; I464-R548 WeakPolarHBondContact CA-O 3.22Å; I464-V549 HydrophobicContact CG1-CG1 4.33Å; I464-V549 HydrophobicContact CG1-CG2 4.25Å; I464-V549 HydrophobicContact CG2-CG2 4.43Å
465	G	96.8	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.5	173.7	0	0	0	0	0	111.9	V519 L547 R548	G465-V519 WeakPolarHBondContact CA-O 3.46Å; G465-L547 CarbonylContact O-C 3.59Å; G465-L547 WeakPolarHBondContact O-CA 3.26Å; G465-R548 PolarHBondContact N-O 3.12Å; G465-R548 PolarHBondContact O-N 2.67Å
466	L	98	Very high	92.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.9	175.6	173.4	64.5	0	0	0	109.2	W422 I482 G483 F484 E518 V519 P534 F545 L547	W422-L466 HydrophobicContact CH2-CD1 4.11Å; W422-L466 HydrophobicContact CH2-CD2 4.12Å; W422-L466 HydrophobicContact CH2-CG 4.39Å; W422-L466 HydrophobicContact CZ2-CD1 4.36Å; W422-L466 HydrophobicContact CZ2-CD2 4.22Å; L466-I482 HydrophobicContact CD2-CB 4.17Å; L466-I482 HydrophobicContact CG-CD1 4.24Å; L466-I482 VanDerWaalsContact O-CD1 3.28Å; L466-I482 WeakPolarHBondContact O-CD1 3.27Å; L466-G483 WeakPolarHBondContact CD2-O 3.43Å; L466-F484 HydrophobicContact CB-CD1 3.8Å; L466-F484 HydrophobicContact CB-CE1 4.32Å; L466-F484 HydrophobicContact CD2-CB 4.4Å; L466-F484 HydrophobicContact CD2-CD1 4.33Å; L466-E518 VanDerWaalsContact O-CA 3.32Å; L466-E518 WeakPolarHBondContact O-CA 3.21Å; L466-E518 WeakPolarHBondContact O-CG 3.44Å; L466-V519 HydrophobicContact CB-CG2 3.96Å; L466-V519 HydrophobicContact CD2-CG2 4.44Å; L466-V519 PolarHBondContact N-O 3.36Å; L466-V519 PolarHBondContact O-N 3.31Å; L466-P534 HydrophobicContact CD1-CB 3.5Å; L466-P534 VanDerWaalsContact CD1-CB 3.5Å; L466-P534 HydrophobicContact CD1-CG 4.38Å; L466-P534 HydrophobicContact CD2-CB 3.54Å; L466-P534 HydrophobicContact CG-CB 4.11Å; L466-F545 HydrophobicContact CD1-CB 4.03Å; L466-F545 HydrophobicContact CD1-CD2 3.56Å; L466-F545 HydrophobicContact CD1-CE2 4.26Å; L466-F545 HydrophobicContact CD1-CG 3.96Å; L466-L547 HydrophobicContact CB-CD1 4.13Å; L466-L547 HydrophobicContact CD1-CD1 4.31Å
467	M	97.4	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.2	-174.5	-175.6	-175.1	-55.8	0	0	111.7	W194 F196 E257 R517 E518 F545 I546	W194-M467 HydrophobicContact CH2-CE 4.19Å; W194-M467 HydrophobicContact CZ3-CE 3.92Å; W194-M467 HydrophobicContact CZ3-SD 4.17Å; F196-M467 HydrophobicContact CD1-CG 4.35Å; F196-M467 HydrophobicContact CD1-SD 3.56Å; F196-M467 VanDerWaalsContact CD1-SD 3.56Å; F196-M467 HydrophobicContact CE1-CG 4.46Å; F196-M467 HydrophobicContact CE1-SD 3.85Å; E257-M467 WeakPolarHBondContact OE2-CE 3.38Å; M467-R517 CarbonylContact C-O 3.58Å; M467-R517 VanDerWaalsContact CA-O 3.28Å; M467-R517 WeakPolarHBondContact CA-O 3.41Å; M467-R517 HydrophobicContact CG-CG 4.1Å; M467-R517 WeakPolarHBondContact CG-O 3.43Å; M467-E518 HydrophobicContact CB-CB 3.9Å; M467-E518 HydrophobicContact CB-CG 3.93Å; M467-E518 WeakPolarHBondContact CB-OE1 3.41Å; M467-E518 HydrophobicContact CE-CB 4.13Å; M467-E518 HydrophobicContact CE-CG 4.4Å; M467-E518 VanDerWaalsContact CE-OE1 3.27Å; M467-E518 WeakPolarHBondContact CE-OE1 3.41Å; M467-E518 HydrophobicContact CG-CB 4.08Å; M467-F545 CarbonylContact O-C 3.41Å; M467-F545 WeakPolarHBondContact O-CA 3.41Å; M467-F545 WeakPolarHBondContact O-CB 3.43Å; M467-I546 HydrophobicContact CB-CD1 4.31Å; M467-I546 HydrophobicContact CB-CG1 3.73Å; M467-I546 HydrophobicContact CE-CD1 4.47Å; M467-I546 HydrophobicContact CG-CG1 4.47Å; M467-I546 PolarHBondContact N-O 2.85Å; M467-I546 PolarHBondContact O-N 2.79Å; M467-I546 HydrophobicContact SD-CD1 4.19Å; M467-I546 HydrophobicContact SD-CG1 4.46Å
468	Q	96.8	Very high	93.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	137.7	169.6	60.2	-165.7	-68.8	0	0	111.5	I471 F479 Q480 I482 T516 R517 V543 N544	Q468-I471 HydrophobicContact CB-CG1 4.12Å; Q468-I471 HydrophobicContact CG-CG1 3.84Å; Q468-F479 HydrophobicContact CG-CD1 3.97Å; Q468-Q480 PolarHBondContact NE2-O 3.33Å; Q468-I482 HydrophobicContact CB-CD1 4.2Å; Q468-I482 HydrophobicContact CG-CD1 4.21Å; Q468-T516 PolarHBondContact NE2-O 3.41Å; Q468-R517 WeakPolarHBondContact CG-O 3.45Å; Q468-R517 PolarHBondContact N-O 3.46Å; Q468-V543 HydrophobicContact CB-CG1 3.51Å; Q468-N544 WeakPolarHBondContact CA-O 3.49Å
469	T	93.9	Very high	93.8	Very high	14 Å²	14	30 Å²	30	9%	0.086	16%	0.16	C	C	.	.			trans	-101.5	147.6	-171.3	75.5	0	0	0	0	112.9	F196 I471 N544 I546	F196-T469 HydrophobicContact CB-CG2 3.7Å; F196-T469 HydrophobicContact CD1-CG2 3.58Å; F196-T469 HydrophobicContact CD2-CG2 4.12Å; F196-T469 HydrophobicContact CE1-CG2 4.25Å; F196-T469 HydrophobicContact CG-CG2 3.52Å; T469-I471 PolarHBondContact O-N 3.3Å; T469-N544 PolarHBondContact N-O 2.84Å; T469-N544 WeakPolarHBondContact OG1-CB 3.36Å; T469-N544 PolarHBondContact OG1-O 3.02Å; T469-I546 HydrophobicContact CG2-CG2 4.25Å
470	D	90	Very high	94	Very high	53 Å²	53	29.2 Å²	29.2	28%	0.283	16%	0.158	S	C	.	.	S	Bend	trans	56.7	10.9	174.2	-71.5	-44.4	0	0	0	117.8	F196 K473 K474	F196-D470 VanDerWaalsContact CE2-N 3.33Å; F196-D470 WeakPolarHBondContact CE2-OD1 3.47Å; D470-K473 PolarHBondContact O-N 2.88Å; D470-K474 WeakPolarHBondContact O-CG 3.42Å; D470-K474 PolarHBondContact O-N 3.38Å
471	I	94.7	Very high	94.4	Very high	18 Å²	18	31.3 Å²	31.3	9%	0.092	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-49.8	-179.5	-56.1	-57.1	0	0	0	111.7	Q468 T469 K473 K474 V475 D478 F479 V543	Q468-I471 HydrophobicContact CB-CG1 4.12Å; Q468-I471 HydrophobicContact CG-CG1 3.84Å; T469-I471 PolarHBondContact O-N 3.3Å; I471-K473 PolarHBondContact O-N 2.9Å; I471-K473 VanDerWaalsContact O-N 3.14Å; I471-K474 PolarHBondContact O-N 2.87Å; I471-V475 HydrophobicContact CG2-CG2 3.87Å; I471-V475 PolarHBondContact O-N 3.17Å; I471-D478 WeakPolarHBondContact CG2-O 3.41Å; I471-F479 HydrophobicContact CB-CD1 3.77Å; I471-F479 HydrophobicContact CB-CE1 3.96Å; I471-F479 HydrophobicContact CG1-CD1 4.44Å; I471-F479 HydrophobicContact CG2-CD1 3.7Å; I471-F479 HydrophobicContact CG2-CE1 4.18Å; I471-V543 HydrophobicContact CD1-CG1 4.27Å; I471-V543 HydrophobicContact CD1-CG2 4.24Å
472	R	94.5	Very high	94.8	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-54.2	-37.5	176.9	-173.7	178.1	-75.8	-81	2.4	112.9	N241 H246 G249 E254 K474 G476 F479	N241-R472 HydrophobicContact CB-CG 4.19Å; N241-R472 WeakPolarHBondContact OD1-CD 3.4Å; H246-R472 HydrophobicContact CB-CG 4.39Å; H246-R472 PolarHBondContact ND1-O 2.67Å; H246-R472 WeakPolarHBondContact O-CD 3.05Å; H246-R472 WeakPolarHBondContact O-CG 3.43Å; H246-R472 PolarHBondContact O-NH1 3.41Å; G249-R472 VanDerWaalsContact O-CZ 3.31Å; G249-R472 PolarHBondContact O-NH1 3.24Å; G249-R472 PolarHBondContact O-NH2 2.76Å; E254-R472 IonicContact OE1-CZ 3.1Å; E254-R472 IonicContact OE1-NH2 2.86Å; E254-R472 PolarHBondContact OE1-NH2 2.89Å; E254-R472 IonicContact OE2-CZ 3.63Å; E254-R472 VanDerWaalsContact OE2-CZ 3.3Å; E254-R472 IonicContact OE2-NE 3.7Å; E254-R472 PolarHBondContact OE2-NE 3.38Å; E254-R472 IonicContact OE2-NH2 3.37Å; E254-R472 PolarHBondContact OE2-NH2 2.86Å; R472-K474 VanDerWaalsContact C-N 3.3Å; R472-K474 PolarHBondContact O-N 2.57Å; R472-G476 VanDerWaalsContact CA-O 3.26Å; R472-G476 WeakPolarHBondContact CA-O 3.43Å; R472-G476 WeakPolarHBondContact O-CA 3.28Å; R472-G476 PolarHBondContact O-N 2.9Å; R472-F479 HydrophobicContact CB-CE1 4.36Å; R472-F479 HydrophobicContact CB-CZ 4.24Å
473	K	93.7	Very high	95	Very high	57 Å²	57	30.5 Å²	30.5	25%	0.248	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-34.9	176.7	-176.9	179.2	176.2	179.8	0	113.2	N241 H246 D470 I471	N241-K473 WeakPolarHBondContact O-CA 3.28Å; H246-K473 PolarHBondContact CE1-O 2.91Å; H246-K473 PolarHBondContact ND1-O 3.16Å; D470-K473 PolarHBondContact O-N 2.88Å; I471-K473 PolarHBondContact O-N 2.9Å; I471-K473 VanDerWaalsContact O-N 3.14Å
474	K	92.7	Very high	95.2	Very high	114 Å²	114	30 Å²	30	50%	0.496	16%	0.164	S	C	.	.	H	α-helix	trans	-85.3	-44.2	-176.1	-66.7	172.1	-174.8	173.7	0	112.3	M1 D470 I471 R472	M1-K474 HydrophobicContact CE-CG 4.23Å; D470-K474 WeakPolarHBondContact O-CG 3.42Å; D470-K474 PolarHBondContact O-N 3.38Å; I471-K474 PolarHBondContact O-N 2.87Å; R472-K474 VanDerWaalsContact C-N 3.3Å; R472-K474 PolarHBondContact O-N 2.57Å
475	V	92.6	Very high	95.3	Very high	84 Å²	84	30.7 Å²	30.7	51%	0.509	17%	0.167	S	C	.	.	H	α-helix	trans	-138.9	7.9	-166.8	-64.3	0	0	0	0	114.7	I471 D478	I471-V475 HydrophobicContact CG2-CG2 3.87Å; I471-V475 PolarHBondContact O-N 3.17Å; V475-D478 HydrophobicContact CG2-CB 4.12Å
476	G	92.6	Very high	95.4	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	17%	0.168	C	C	.	.	S	Bend	trans	75.2	-157.9	-172.6	0	0	0	0	0	112.6	R472 D478	R472-G476 VanDerWaalsContact CA-O 3.26Å; R472-G476 WeakPolarHBondContact CA-O 3.43Å; R472-G476 WeakPolarHBondContact O-CA 3.28Å; R472-G476 PolarHBondContact O-N 2.9Å; G476-D478 PolarHBondContact O-N 2.76Å
477	A	91.1	Very high	95.4	Very high	51 Å²	51	31 Å²	31	42%	0.421	17%	0.168	S	C	.	.	S	Bend	trans	-72.9	37.8	-175.5	0	0	0	0	0	114.5	F479	A477-F479 HydrophobicContact CB-CE2 4.09Å
478	D	93.4	Very high	95.3	Very high	106 Å²	106	35.3 Å²	35.3	57%	0.567	19%	0.191	S	C	*	.			trans	-105.1	85.6	177.3	-171.9	23.2	0	0	0	109.8	I471 V475 G476	I471-D478 WeakPolarHBondContact CG2-O 3.41Å; V475-D478 HydrophobicContact CG2-CB 4.12Å; G476-D478 PolarHBondContact O-N 2.76Å
479	F	95.9	Very high	95.2	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.053	20%	0.196	C	C	.	.			trans	-95.9	152.9	-172	-64	-67.5	0	0	0	112.2	Q468 I471 R472 A477 N515 R517	Q468-F479 HydrophobicContact CG-CD1 3.97Å; I471-F479 HydrophobicContact CB-CD1 3.77Å; I471-F479 HydrophobicContact CB-CE1 3.96Å; I471-F479 HydrophobicContact CG1-CD1 4.44Å; I471-F479 HydrophobicContact CG2-CD1 3.7Å; I471-F479 HydrophobicContact CG2-CE1 4.18Å; R472-F479 HydrophobicContact CB-CE1 4.36Å; R472-F479 HydrophobicContact CB-CZ 4.24Å; A477-F479 HydrophobicContact CB-CE2 4.09Å; F479-N515 WeakPolarHBondContact O-CB 3.39Å; F479-R517 HydrophobicContact CD1-CB 4.28Å; F479-R517 HydrophobicContact CE1-CB 3.73Å; F479-R517 HydrophobicContact CE1-CG 3.85Å; F479-R517 HydrophobicContact CE2-CB 4.09Å; F479-R517 HydrophobicContact CZ-CB 3.62Å; F479-R517 HydrophobicContact CZ-CG 4.07Å
480	Q	96.6	Very high	95.1	Very high	65 Å²	65	37.3 Å²	37.3	30%	0.304	21%	0.206	S	C	.	.			trans	-77.5	144.8	173	-65.7	-60.4	-40.2	0	0	110.9	Q468 I482 I541 V543	Q468-Q480 PolarHBondContact NE2-O 3.33Å; Q480-I482 PolarHBondContact O-N 3.07Å; Q480-I482 VanDerWaalsContact O-N 3.15Å; Q480-I541 HydrophobicContact CB-CG2 4.29Å; Q480-I541 HydrophobicContact CG-CG2 3.76Å; Q480-V543 HydrophobicContact CB-CG2 4.36Å; Q480-V543 HydrophobicContact CG-CG2 3.78Å
481	P	97.8	Very high	95	Very high	44 Å²	44	41.2 Å²	41.2	29%	0.286	23%	0.227	S	C	.	.			trans	-65.1	112.7	170.4	-17	29.8	0	0	0	110.7	I514 N515 T536 F537	P481-I514 WeakPolarHBondContact CA-O 3.4Å; P481-N515 HydrophobicContact CG-CB 4.26Å; P481-T536 CarbonylContact O-C 3.53Å; P481-T536 WeakPolarHBondContact O-CA 3.34Å; P481-F537 HydrophobicContact CB-CB 3.86Å; P481-F537 PolarHBondContact O-N 3.26Å
482	I	98.5	Very high	94.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.4	-179.1	58.8	175.9	0	0	0	110.9	W422 L466 Q468 Q480 F513 I514 V519 T536	W422-I482 HydrophobicContact CH2-CB 4.4Å; W422-I482 HydrophobicContact CH2-CG2 3.87Å; W422-I482 HydrophobicContact CZ3-CG2 3.99Å; L466-I482 HydrophobicContact CD2-CB 4.17Å; L466-I482 HydrophobicContact CG-CD1 4.24Å; L466-I482 VanDerWaalsContact O-CD1 3.28Å; L466-I482 WeakPolarHBondContact O-CD1 3.27Å; Q468-I482 HydrophobicContact CB-CD1 4.2Å; Q468-I482 HydrophobicContact CG-CD1 4.21Å; Q480-I482 PolarHBondContact O-N 3.07Å; Q480-I482 VanDerWaalsContact O-N 3.15Å; I482-F513 VanDerWaalsContact C-CD1 3.49Å; I482-F513 VanDerWaalsContact O-CA 3.3Å; I482-F513 WeakPolarHBondContact O-CA 3.36Å; I482-I514 PolarHBondContact N-O 2.71Å; I482-I514 VanDerWaalsContact N-O 3.12Å; I482-I514 PolarHBondContact O-N 2.76Å; I482-V519 HydrophobicContact CG1-CG1 4.01Å; I482-V519 HydrophobicContact CG1-CG2 4.17Å; I482-V519 WeakPolarHBondContact O-CG1 3.48Å; I482-T536 HydrophobicContact CG2-CG2 4.18Å
483	G	98.4	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	173.7	179.9	0	0	0	0	0	112	L466 S511 F513 S535	L466-G483 WeakPolarHBondContact CD2-O 3.43Å; G483-S511 WeakPolarHBondContact CA-OG 3.43Å; G483-F513 VanDerWaalsContact N-CE1 3.3Å; G483-S535 PolarHBondContact N-O 3.17Å; G483-S535 PolarHBondContact O-N 3.38Å
484	F	98.4	Very high	94.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158	178	59.5	-97.3	0	0	0	112.3	I464 L466 V486 K510 S511 V519 A521 F523 V532 I533 P534	I464-F484 HydrophobicContact CB-CE1 4.29Å; I464-F484 HydrophobicContact CB-CE2 3.83Å; I464-F484 HydrophobicContact CB-CZ 3.57Å; I464-F484 HydrophobicContact CD1-CE2 4.18Å; I464-F484 HydrophobicContact CG2-CD1 4.29Å; I464-F484 HydrophobicContact CG2-CD2 4.16Å; I464-F484 HydrophobicContact CG2-CE1 3.84Å; I464-F484 HydrophobicContact CG2-CE2 3.73Å; I464-F484 HydrophobicContact CG2-CG 4.42Å; I464-F484 HydrophobicContact CG2-CZ 3.53Å; L466-F484 HydrophobicContact CB-CD1 3.8Å; L466-F484 HydrophobicContact CB-CE1 4.32Å; L466-F484 HydrophobicContact CD2-CB 4.4Å; L466-F484 HydrophobicContact CD2-CD1 4.33Å; F484-V486 HydrophobicContact CD2-CG2 4.14Å; F484-V486 HydrophobicContact CE2-CG2 4.24Å; F484-K510 WeakPolarHBondContact O-CA 3.44Å; F484-S511 PolarHBondContact N-OG 3.1Å; F484-S511 PolarHBondContact O-N 3.31Å; F484-V519 HydrophobicContact CD1-CG2 4.22Å; F484-V519 HydrophobicContact CE1-CG2 4.25Å; F484-A521 HydrophobicContact CE2-CB 4.49Å; F484-A521 HydrophobicContact CZ-CB 3.9Å; F484-F523 AromaticContact CE2-CE2 3.7Å; F484-F523 HydrophobicContact CE2-CE2 3.7Å; F484-F523 AromaticContact CE2-CZ 3.76Å; F484-F523 HydrophobicContact CE2-CZ 3.76Å; F484-F523 HydrophobicContact CZ-CE2 4.17Å; F484-F523 HydrophobicContact CZ-CZ 4.25Å; F484-V532 HydrophobicContact CB-CG1 4.18Å; F484-V532 HydrophobicContact CD2-CG1 4.13Å; F484-V532 HydrophobicContact CG-CG1 4.34Å; F484-I533 VanDerWaalsContact CA-O 3.3Å; F484-I533 WeakPolarHBondContact CA-O 3.34Å; F484-P534 HydrophobicContact CB-CB 4.33Å
485	M	97.9	Very high	94.3	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.069	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.7	171.2	-56.5	-158.5	175.5	0	0	110.7	I432 Y438 Y487 P507 K510 V532 I533	I432-M485 HydrophobicContact CB-CE 3.59Å; I432-M485 HydrophobicContact CB-SD 3.95Å; I432-M485 HydrophobicContact CD1-CE 4.37Å; I432-M485 HydrophobicContact CD1-SD 3.82Å; I432-M485 HydrophobicContact CG1-SD 4.43Å; I432-M485 HydrophobicContact CG2-CE 3.31Å; I432-M485 HydrophobicContact CG2-SD 4.18Å; Y438-M485 WeakPolarHBondContact OH-CB 3.21Å; M485-Y487 HydrophobicContact CB-CD2 4.44Å; M485-Y487 HydrophobicContact CB-CE2 3.67Å; M485-P507 HydrophobicContact CB-CB 4.26Å; M485-P507 HydrophobicContact SD-CB 4.35Å; M485-P507 HydrophobicContact SD-CG 4.19Å; M485-K510 HydrophobicContact CG-CB 4.41Å; M485-V532 WeakPolarHBondContact O-CA 3.47Å; M485-I533 PolarHBondContact N-O 2.89Å; M485-I533 PolarHBondContact O-N 3.3Å
486	V	97.9	Very high	94.3	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.2	179.1	-170.1	0	0	0	0	109.1	I464 F484 P507 I508 A509 F523 Y530 V531 V532	I464-V486 HydrophobicContact CD1-CG2 3.86Å; F484-V486 HydrophobicContact CD2-CG2 4.14Å; F484-V486 HydrophobicContact CE2-CG2 4.24Å; V486-P507 CarbonylContact O-C 3.56Å; V486-P507 VanDerWaalsContact O-CA 3.3Å; V486-P507 WeakPolarHBondContact O-CA 3.32Å; V486-I508 HydrophobicContact CB-CG1 4.14Å; V486-I508 HydrophobicContact CG1-CD1 4.01Å; V486-I508 HydrophobicContact CG1-CG1 3.99Å; V486-I508 VanDerWaalsContact O-CG1 3.29Å; V486-I508 WeakPolarHBondContact O-CG1 3.33Å; V486-I508 PolarHBondContact O-N 2.84Å; V486-A509 HydrophobicContact CB-CB 4.01Å; V486-A509 HydrophobicContact CG2-CB 4.15Å; V486-A509 PolarHBondContact N-O 2.89Å; V486-A509 PolarHBondContact O-N 2.93Å; V486-F523 HydrophobicContact CG2-CE2 4.24Å; V486-Y530 HydrophobicContact CG1-CD1 4.42Å; V486-Y530 HydrophobicContact CG1-CG 4.42Å; V486-V531 CarbonylContact C-O 3.49Å; V486-V531 VanDerWaalsContact CA-O 3.31Å; V486-V531 WeakPolarHBondContact CA-O 3.5Å; V486-V532 HydrophobicContact CG2-CG2 4.49Å
487	Y	97.6	Very high	94.4	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.2	178.6	-62.7	-93.2	0	0	0	110.3	Y438 M485 A489 L502 R505 P507 Y530 V531 I533	Y438-Y487 HydrophobicContact CE1-CE2 4.46Å; Y438-Y487 WeakPolarHBondContact CE1-OH 3.18Å; Y438-Y487 PolarHBondContact OH-OH 3.46Å; M485-Y487 HydrophobicContact CB-CD2 4.44Å; M485-Y487 HydrophobicContact CB-CE2 3.67Å; Y487-A489 PolarHBondContact O-N 2.81Å; Y487-L502 HydrophobicContact CD1-CD2 4.45Å; Y487-L502 HydrophobicContact CD2-CD2 4.3Å; Y487-L502 HydrophobicContact CE1-CD2 4.19Å; Y487-L502 HydrophobicContact CE2-CD2 4.05Å; Y487-L502 HydrophobicContact CG-CD2 4.49Å; Y487-R505 HydrophobicContact CD1-CB 4.02Å; Y487-R505 HydrophobicContact CE1-CB 4.25Å; Y487-P507 HydrophobicContact CD1-CB 4.27Å; Y487-P507 HydrophobicContact CE1-CB 3.88Å; Y487-P507 HydrophobicContact CE1-CG 4.46Å; Y487-P507 HydrophobicContact CE2-CB 4.48Å; Y487-Y530 CarbonylContact O-C 3.2Å; Y487-Y530 VanDerWaalsContact O-CA 3.24Å; Y487-Y530 WeakPolarHBondContact O-CA 3.26Å; Y487-V531 PolarHBondContact N-O 2.82Å; Y487-V531 PolarHBondContact O-N 3.17Å; Y487-I533 HydrophobicContact CD2-CD1 4.1Å; Y487-I533 HydrophobicContact CD2-CG1 4.33Å; Y487-I533 HydrophobicContact CE2-CD1 3.88Å; Y487-I533 HydrophobicContact CE2-CG1 4.3Å
488	N	96.3	Very high	94.5	Very high	91 Å²	91	41.1 Å²	41.1	49%	0.487	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.5	165.4	-70.3	-41.6	0	0	0	109.9	R505 I508 Y530	N488-R505 PolarHBondContact O-NH1 2.93Å; N488-I508 WeakPolarHBondContact ND2-CG2 3.27Å; N488-Y530 VanDerWaalsContact OD1-CE1 3.29Å; N488-Y530 WeakPolarHBondContact OD1-CE1 3.15Å
489	A	95	Very high	94.5	Very high	12 Å²	12	39 Å²	39	10%	0.099	21%	0.213	C	C	.	.			trans	-105.8	132	174.8	0	0	0	0	0	110	Y487 L493 S529 V531	Y487-A489 PolarHBondContact O-N 2.81Å; A489-L493 HydrophobicContact CB-CD2 4.17Å; A489-S529 WeakPolarHBondContact CB-O 3.46Å; A489-S529 PolarHBondContact N-O 2.91Å; A489-V531 HydrophobicContact CB-CG2 3.68Å
490	P	91.7	Very high	94.3	Very high	46 Å²	46	41.6 Å²	41.6	30%	0.299	24%	0.236	S	C	.	.			trans	-57.9	146.5	162.6	-22.4	33.7	0	0	0	111.3	D492 L493	P490-D492 WeakPolarHBondContact CB-OD1 3.23Å; P490-D492 PolarHBondContact O-N 2.92Å; P490-L493 HydrophobicContact CB-CB 4.36Å; P490-L493 VanDerWaalsContact O-CB 3.28Å; P490-L493 WeakPolarHBondContact O-CB 2.87Å; P490-L493 PolarHBondContact O-N 2.95Å; P490-L493 VanDerWaalsContact O-N 3.11Å
491	D	86.7	Confident	94.2	Very high	134 Å²	134	42 Å²	42	72%	0.717	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.8	-177.5	-66.4	-27.7	0	0	0	112.8	R445	R445-D491 PolarHBondContact NH1-O 3.06Å; R445-D491 PolarHBondContact NH2-O 3.04Å
492	D	89.9	Confident	94	Very high	134 Å²	134	40.3 Å²	40.3	72%	0.717	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-0.6	-179.6	64.4	-25	0	0	0	114	P490 N494	P490-D492 WeakPolarHBondContact CB-OD1 3.23Å; P490-D492 PolarHBondContact O-N 2.92Å; D492-N494 PolarHBondContact O-N 2.93Å
493	L	92	Very high	93.8	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.079	25%	0.25	C	S	.	.			trans	-66.1	116.9	179.6	-174.4	71.3	0	0	0	111	R445 A489 P490 L497 V531 L560	R445-L493 PolarHBondContact NH1-O 2.87Å; A489-L493 HydrophobicContact CB-CD2 4.17Å; P490-L493 HydrophobicContact CB-CB 4.36Å; P490-L493 VanDerWaalsContact O-CB 3.28Å; P490-L493 WeakPolarHBondContact O-CB 2.87Å; P490-L493 PolarHBondContact O-N 2.95Å; P490-L493 VanDerWaalsContact O-N 3.11Å; L493-L497 HydrophobicContact CD1-CD2 3.87Å; L493-L497 HydrophobicContact CD2-CD2 3.81Å; L493-L497 HydrophobicContact CD2-CG 4.09Å; L493-V531 HydrophobicContact CD2-CG2 3.51Å; L493-L560 HydrophobicContact CD2-CD1 3.77Å; L493-L560 HydrophobicContact CG-CD1 4.32Å; L493-L560 HydrophobicContact CG-CD2 4.42Å
494	N	88.9	Confident	93.5	Very high	89 Å²	89	50.4 Å²	50.4	48%	0.476	28%	0.284	S	S	.	.			trans	-126.2	-10.2	178.3	65.1	-21.7	0	0	0	114.2	D492	D492-N494 PolarHBondContact O-N 2.93Å
495	T	91	Very high	93.3	Very high	41 Å²	41	53.7 Å²	53.7	25%	0.252	30%	0.297	S	S	.	.	S	Bend	trans	-117.7	178.8	178.4	59.9	0	0	0	0	111.7
496	L	92.9	Very high	93.2	Very high	7 Å²	7	58 Å²	58	4%	0.037	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63.5	139.3	177.2	-63.1	174.9	0	0	0	111.4	Q443 S498 L560 E562	Q443-L496 HydrophobicContact CB-CD2 4.02Å; Q443-L496 HydrophobicContact CG-CD2 3.9Å; L496-S498 PolarHBondContact O-N 3.06Å; L496-L560 HydrophobicContact CD2-CB 4.2Å; L496-L560 WeakPolarHBondContact CD2-O 3.44Å; L496-E562 HydrophobicContact CD1-CG 4.09Å; L496-E562 HydrophobicContact CG-CG 4.47Å
497	L	94.6	Very high	93.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.4	123.4	163.6	-65.6	175.9	0	0	0	109.1	Q443 L493 L502 V531	Q443-L497 PolarHBondContact NE2-O 3.48Å; Q443-L497 VanDerWaalsContact OE1-CB 3.29Å; L493-L497 HydrophobicContact CD1-CD2 3.87Å; L493-L497 HydrophobicContact CD2-CD2 3.81Å; L493-L497 HydrophobicContact CD2-CG 4.09Å; L497-L502 HydrophobicContact CB-CD1 4.36Å; L497-L502 HydrophobicContact CB-CD2 3.96Å; L497-L502 HydrophobicContact CB-CG 3.92Å; L497-L502 HydrophobicContact CD1-CD2 3.76Å; L497-V531 HydrophobicContact CD1-CB 4.13Å; L497-V531 HydrophobicContact CD1-CG1 4.22Å; L497-V531 HydrophobicContact CD1-CG2 3.95Å; L497-V531 HydrophobicContact CG-CG2 4.48Å
498	S	92.7	Very high	93	Very high	47 Å²	47	63.4 Å²	63.4	33%	0.329	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.3	163.9	-178.6	76.6	0	0	0	0	112.1	L496 A500 Q501 L502	L496-S498 PolarHBondContact O-N 3.06Å; S498-A500 VanDerWaalsContact C-N 3.3Å; S498-A500 PolarHBondContact O-N 3Å; S498-Q501 PolarHBondContact O-N 2.94Å; S498-Q501 VanDerWaalsContact O-N 3.12Å; S498-Q501 WeakPolarHBondContact OG-CG 3.43Å; S498-Q501 PolarHBondContact OG-N 2.94Å; S498-L502 PolarHBondContact O-N 3.43Å
499	R	93.1	Very high	93	Very high	63 Å²	63	59.9 Å²	59.9	24%	0.238	34%	0.342	C	S	.	.	H	α-helix	trans	-50.5	-48.8	173	-172.6	175.3	173	-172.9	-7.8	112.5	R435 W439 Q501 L502 L503 E685	R435-R499 PolarHBondContact O-NE 3.4Å; W439-R499 HydrophobicContact CB-CB 4.16Å; W439-R499 HydrophobicContact CD2-CB 3.99Å; W439-R499 HydrophobicContact CG-CB 3.64Å; W439-R499 HydrophobicContact CG-CG 4.19Å; R499-Q501 VanDerWaalsContact C-N 3.34Å; R499-Q501 PolarHBondContact O-N 2.59Å; R499-L502 PolarHBondContact O-N 2.59Å; R499-L503 HydrophobicContact CG-CD1 4.01Å; R499-L503 WeakPolarHBondContact O-CB 3Å; R499-L503 VanDerWaalsContact O-CG 3.25Å; R499-L503 WeakPolarHBondContact O-CG 3.43Å; R499-L503 PolarHBondContact O-N 3.05Å; R499-E685 IonicContact NH1-OE2 3.18Å; R499-E685 PolarHBondContact NH1-OE2 2.9Å; R499-E685 VanDerWaalsContact NH1-OE2 3.14Å
500	A	92.5	Very high	93	Very high	65 Å²	65	66.1 Å²	66.1	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-38.8	179.7	0	0	0	0	0	112.5	S498 T504	S498-A500 VanDerWaalsContact C-N 3.3Å; S498-A500 PolarHBondContact O-N 3Å; A500-T504 WeakPolarHBondContact O-CG2 3.28Å; A500-T504 PolarHBondContact O-N 2.77Å; A500-T504 PolarHBondContact O-OG1 2.73Å
501	Q	93.9	Very high	93.2	Very high	73 Å²	73	64.4 Å²	64.4	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-43.3	176.4	-70.8	173.6	-31.7	0	0	111.6	S498 R499 T504 R505	S498-Q501 PolarHBondContact O-N 2.94Å; S498-Q501 VanDerWaalsContact O-N 3.12Å; S498-Q501 WeakPolarHBondContact OG-CG 3.43Å; S498-Q501 PolarHBondContact OG-N 2.94Å; R499-Q501 VanDerWaalsContact C-N 3.34Å; R499-Q501 PolarHBondContact O-N 2.59Å; Q501-T504 PolarHBondContact O-N 2.79Å; Q501-T504 PolarHBondContact O-OG1 3.19Å; Q501-R505 WeakPolarHBondContact O-CB 3.48Å; Q501-R505 WeakPolarHBondContact O-CG 3.28Å; Q501-R505 PolarHBondContact O-N 2.92Å; Q501-R505 VanDerWaalsContact O-N 3.09Å
502	L	94.9	Very high	93.6	Very high	10 Å²	10	64.1 Å²	64.1	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-70.8	-32.8	179.6	-70.8	176.1	0	0	0	113.1	Y438 W439 Y487 L497 S498 R499 T504 I533	Y438-L502 HydrophobicContact CD1-CD1 4.14Å; Y438-L502 HydrophobicContact CE1-CD1 4.09Å; W439-L502 HydrophobicContact CB-CD1 3.67Å; Y487-L502 HydrophobicContact CD1-CD2 4.45Å; Y487-L502 HydrophobicContact CD2-CD2 4.3Å; Y487-L502 HydrophobicContact CE1-CD2 4.19Å; Y487-L502 HydrophobicContact CE2-CD2 4.05Å; Y487-L502 HydrophobicContact CG-CD2 4.49Å; L497-L502 HydrophobicContact CB-CD1 4.36Å; L497-L502 HydrophobicContact CB-CD2 3.96Å; L497-L502 HydrophobicContact CB-CG 3.92Å; L497-L502 HydrophobicContact CD1-CD2 3.76Å; S498-L502 PolarHBondContact O-N 3.43Å; R499-L502 PolarHBondContact O-N 2.59Å; L502-T504 PolarHBondContact O-N 2.73Å; L502-I533 HydrophobicContact CD1-CD1 3.73Å; L502-I533 HydrophobicContact CD2-CD1 3.68Å; L502-I533 HydrophobicContact CG-CD1 4.39Å
503	L	92.7	Very high	93.9	Very high	94 Å²	94	60.1 Å²	60.1	49%	0.492	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-22.2	175.4	-71.6	174	0	0	0	113.4	R435 R499	R435-L503 HydrophobicContact CB-CD2 4.02Å; R435-L503 HydrophobicContact CG-CD2 4.11Å; R499-L503 HydrophobicContact CG-CD1 4.01Å; R499-L503 WeakPolarHBondContact O-CB 3Å; R499-L503 VanDerWaalsContact O-CG 3.25Å; R499-L503 WeakPolarHBondContact O-CG 3.43Å; R499-L503 PolarHBondContact O-N 3.05Å
504	T	93.4	Very high	94.1	Very high	117 Å²	117	62.4 Å²	62.4	72%	0.718	34%	0.339	S	S	*	.	H	α-helix	trans	-100.7	-16.5	-179.5	53.3	0	0	0	0	113.4	A500 Q501 L502	A500-T504 WeakPolarHBondContact O-CG2 3.28Å; A500-T504 PolarHBondContact O-N 2.77Å; A500-T504 PolarHBondContact O-OG1 2.73Å; Q501-T504 PolarHBondContact O-N 2.79Å; Q501-T504 PolarHBondContact O-OG1 3.19Å; L502-T504 PolarHBondContact O-N 2.73Å
505	R	94.6	Very high	94.4	Very high	70 Å²	70	62.9 Å²	62.9	26%	0.264	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-91.7	141.6	178.9	-72.7	174.3	179	-151.9	5.1	111.9	Y487 N488 Q501	Y487-R505 HydrophobicContact CD1-CB 4.02Å; Y487-R505 HydrophobicContact CE1-CB 4.25Å; N488-R505 PolarHBondContact O-NH1 2.93Å; Q501-R505 WeakPolarHBondContact O-CB 3.48Å; Q501-R505 WeakPolarHBondContact O-CG 3.28Å; Q501-R505 PolarHBondContact O-N 2.92Å; Q501-R505 VanDerWaalsContact O-N 3.09Å
506	S	94.4	Very high	94.6	Very high	105 Å²	105	63.4 Å²	63.4	73%	0.734	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-93.6	134.5	167.9	-65.3	0	0	0	0	109.8
507	P	95.9	Very high	94.7	Very high	48 Å²	48	63.5 Å²	63.5	31%	0.312	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-65.3	139.7	172.6	28.2	-33.6	0	0	0	109.8	M485 V486 Y487	M485-P507 HydrophobicContact CB-CB 4.26Å; M485-P507 HydrophobicContact SD-CB 4.35Å; M485-P507 HydrophobicContact SD-CG 4.19Å; V486-P507 CarbonylContact O-C 3.56Å; V486-P507 VanDerWaalsContact O-CA 3.3Å; V486-P507 WeakPolarHBondContact O-CA 3.32Å; Y487-P507 HydrophobicContact CD1-CB 4.27Å; Y487-P507 HydrophobicContact CE1-CB 3.88Å; Y487-P507 HydrophobicContact CE1-CG 4.46Å; Y487-P507 HydrophobicContact CE2-CB 4.48Å
508	I	96.2	Very high	94.8	Very high	71 Å²	71	64.6 Å²	64.6	36%	0.364	35%	0.349	S	S	.	.	S	Bend	trans	-80.9	-22.7	175.4	60.7	162.3	0	0	0	112	V486 N488 V525 Y530	V486-I508 HydrophobicContact CB-CG1 4.14Å; V486-I508 HydrophobicContact CG1-CD1 4.01Å; V486-I508 HydrophobicContact CG1-CG1 3.99Å; V486-I508 VanDerWaalsContact O-CG1 3.29Å; V486-I508 WeakPolarHBondContact O-CG1 3.33Å; V486-I508 PolarHBondContact O-N 2.84Å; N488-I508 WeakPolarHBondContact ND2-CG2 3.27Å; I508-V525 HydrophobicContact CD1-CG1 4.35Å; I508-Y530 HydrophobicContact CD1-CD1 3.3Å; I508-Y530 HydrophobicContact CD1-CE1 3.33Å; I508-Y530 HydrophobicContact CD1-CG 4.41Å
509	A	95.4	Very high	95	Very high	16 Å²	16	62.6 Å²	62.6	13%	0.132	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	158.7	-178.4	0	0	0	0	0	110.3	V486 F523	V486-A509 HydrophobicContact CB-CB 4.01Å; V486-A509 HydrophobicContact CG2-CB 4.15Å; V486-A509 PolarHBondContact N-O 2.89Å; V486-A509 PolarHBondContact O-N 2.93Å; A509-F523 HydrophobicContact CB-CD1 3.46Å; A509-F523 VanDerWaalsContact CB-CD1 3.46Å; A509-F523 HydrophobicContact CB-CD2 4.44Å; A509-F523 HydrophobicContact CB-CE1 3.47Å; A509-F523 VanDerWaalsContact CB-CE1 3.47Å; A509-F523 HydrophobicContact CB-CE2 4.44Å; A509-F523 HydrophobicContact CB-CG 3.96Å; A509-F523 HydrophobicContact CB-CZ 3.96Å
510	K	96.1	Very high	95.2	Very high	144 Å²	144	61.3 Å²	61.3	63%	0.626	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.2	152	177.5	62.3	-179.5	-179.2	178.9	0	110.5	F484 M485	F484-K510 WeakPolarHBondContact O-CA 3.44Å; M485-K510 HydrophobicContact CG-CB 4.41Å
511	S	96.3	Very high	95.3	Very high	10 Å²	10	59 Å²	59	7%	0.07	32%	0.315	C	S	.	.			trans	-82.4	167.3	162	77.3	0	0	0	0	110.5	G483 F484	G483-S511 WeakPolarHBondContact CA-OG 3.43Å; F484-S511 PolarHBondContact N-OG 3.1Å; F484-S511 PolarHBondContact O-N 3.31Å
512	Q	94.2	Very high	95.2	Very high	127 Å²	127	58.9 Å²	58.9	59%	0.593	32%	0.315	S	S	*	.			trans	-72.7	155.1	157.2	-62.3	-172.8	10.4	0	0	109.3	I514	Q512-I514 HydrophobicContact CB-CD1 3.96Å; Q512-I514 HydrophobicContact CB-CG1 3.88Å
513	F	97.2	Very high	95.1	Very high	51 Å²	51	60 Å²	60	22%	0.224	32%	0.319	C	S	.	.			trans	-92.7	113.3	169.2	-83.4	-101.7	0	0	0	108.6	C431 I482 G483 S535 T536 F537	C431-F513 HydrophobicContact CB-CE1 3.8Å; C431-F513 HydrophobicContact CB-CE2 4.02Å; C431-F513 HydrophobicContact CB-CZ 3.51Å; I482-F513 VanDerWaalsContact C-CD1 3.49Å; I482-F513 VanDerWaalsContact O-CA 3.3Å; I482-F513 WeakPolarHBondContact O-CA 3.36Å; G483-F513 VanDerWaalsContact N-CE1 3.3Å; F513-S535 WeakPolarHBondContact CE1-O 3.46Å; F513-S535 WeakPolarHBondContact CE1-OG 3.27Å; F513-S535 VanDerWaalsContact CZ-OG 3.27Å; F513-S535 WeakPolarHBondContact CZ-OG 3.45Å; F513-T536 WeakPolarHBondContact CE1-O 3.38Å; F513-F537 HydrophobicContact CB-CD2 3.97Å; F513-F537 HydrophobicContact CD1-CB 3.81Å; F513-F537 HydrophobicContact CD1-CD2 4.04Å; F513-F537 HydrophobicContact CD1-CG 4.45Å; F513-F537 HydrophobicContact CE1-CB 4.44Å; F513-F537 AromaticContact CG-CD2 3.96Å; F513-F537 HydrophobicContact CG-CD2 3.96Å
514	I	95.3	Very high	95	Very high	63 Å²	63	60.1 Å²	60.1	32%	0.323	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-133.9	143.3	-174.1	-50.6	178.1	0	0	0	108.7	P481 I482 Q512 T516 V519	P481-I514 WeakPolarHBondContact CA-O 3.4Å; I482-I514 PolarHBondContact N-O 2.71Å; I482-I514 VanDerWaalsContact N-O 3.12Å; I482-I514 PolarHBondContact O-N 2.76Å; Q512-I514 HydrophobicContact CB-CD1 3.96Å; Q512-I514 HydrophobicContact CB-CG1 3.88Å; I514-T516 HydrophobicContact CG2-CG2 3.72Å; I514-T516 PolarHBondContact O-N 3.06Å; I514-T516 VanDerWaalsContact O-N 3.11Å; I514-V519 HydrophobicContact CB-CG1 3.95Å
515	N	95.2	Very high	95.1	Very high	99 Å²	99	55.1 Å²	55.1	53%	0.529	28%	0.283	S	S	.	.	S	Bend	trans	-82.8	58.2	174.4	61.5	-26.2	0	0	0	111.8	F479 P481	F479-N515 WeakPolarHBondContact O-CB 3.39Å; P481-N515 HydrophobicContact CG-CB 4.26Å
516	T	94.6	Very high	95	Very high	52 Å²	52	55.3 Å²	55.3	32%	0.319	29%	0.293	S	S	.	.	S	Bend	trans	-114.7	165.2	173.7	48.8	0	0	0	0	110.6	Q468 I514 E518	Q468-T516 PolarHBondContact NE2-O 3.41Å; I514-T516 HydrophobicContact CG2-CG2 3.72Å; I514-T516 PolarHBondContact O-N 3.06Å; I514-T516 VanDerWaalsContact O-N 3.11Å; T516-E518 VanDerWaalsContact C-N 3.3Å; T516-E518 PolarHBondContact O-N 3.06Å; T516-E518 PolarHBondContact OG1-O 3.21Å
517	R	96.2	Very high	95.1	Very high	8 Å²	8	52.5 Å²	52.5	3%	0.03	27%	0.272	C	S	.	.	S	Bend	trans	-57	-44.7	174.8	-167.3	-177.3	77	168.2	11.3	112.4	E254 E257 D258 M467 Q468 F479	E254-R517 HydrophobicContact CG-CB 4.01Å; E254-R517 PolarHBondContact O-NH1 3.19Å; E254-R517 PolarHBondContact O-NH2 2.83Å; E257-R517 IonicContact OE2-CZ 3.81Å; E257-R517 IonicContact OE2-NE 3.5Å; E257-R517 IonicContact OE2-NH2 4Å; E257-R517 PolarHBondContact OE2-NH2 2.78Å; D258-R517 VanDerWaalsContact CG-NH1 3.25Å; D258-R517 IonicContact OD1-CZ 2.87Å; D258-R517 VanDerWaalsContact OD1-CZ 3.25Å; D258-R517 IonicContact OD1-NH1 3.46Å; D258-R517 PolarHBondContact OD1-NH1 3.09Å; D258-R517 IonicContact OD1-NH2 2.76Å; D258-R517 PolarHBondContact OD1-NH2 3.23Å; D258-R517 IonicContact OD2-NH1 3.07Å; D258-R517 PolarHBondContact OD2-NH1 3.35Å; M467-R517 CarbonylContact C-O 3.58Å; M467-R517 VanDerWaalsContact CA-O 3.28Å; M467-R517 WeakPolarHBondContact CA-O 3.41Å; M467-R517 HydrophobicContact CG-CG 4.1Å; M467-R517 WeakPolarHBondContact CG-O 3.43Å; Q468-R517 WeakPolarHBondContact CG-O 3.45Å; Q468-R517 PolarHBondContact N-O 3.46Å; F479-R517 HydrophobicContact CD1-CB 4.28Å; F479-R517 HydrophobicContact CE1-CB 3.73Å; F479-R517 HydrophobicContact CE1-CG 3.85Å; F479-R517 HydrophobicContact CE2-CB 4.09Å; F479-R517 HydrophobicContact CZ-CB 3.62Å; F479-R517 HydrophobicContact CZ-CG 4.07Å
518	E	97	Very high	95	Very high	23 Å²	23	51.4 Å²	51.4	11%	0.107	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	143.5	174.4	-174	169.4	-99.9	0	0	110.1	L466 M467 T516 T520 R548	L466-E518 VanDerWaalsContact O-CA 3.32Å; L466-E518 WeakPolarHBondContact O-CA 3.21Å; L466-E518 WeakPolarHBondContact O-CG 3.44Å; M467-E518 HydrophobicContact CB-CB 3.9Å; M467-E518 HydrophobicContact CB-CG 3.93Å; M467-E518 WeakPolarHBondContact CB-OE1 3.41Å; M467-E518 HydrophobicContact CE-CB 4.13Å; M467-E518 HydrophobicContact CE-CG 4.4Å; M467-E518 VanDerWaalsContact CE-OE1 3.27Å; M467-E518 WeakPolarHBondContact CE-OE1 3.41Å; M467-E518 HydrophobicContact CG-CB 4.08Å; T516-E518 VanDerWaalsContact C-N 3.3Å; T516-E518 PolarHBondContact O-N 3.06Å; T516-E518 PolarHBondContact OG1-O 3.21Å; E518-T520 HydrophobicContact CG-CG2 3.81Å; E518-T520 WeakPolarHBondContact OE2-CG2 3.36Å; E518-R548 IonicContact OE1-CZ 3.89Å; E518-R548 IonicContact OE1-NE 3.87Å; E518-R548 PolarHBondContact OE1-NE 2.91Å; E518-R548 IonicContact OE1-NH2 2.68Å; E518-R548 PolarHBondContact OE1-NH2 3.28Å; E518-R548 IonicContact OE2-CZ 3.53Å; E518-R548 IonicContact OE2-NH2 3.86Å; E518-R548 PolarHBondContact OE2-NH2 3.03Å
519	V	96.8	Very high	95	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.9	164.9	-60.6	0	0	0	0	109	G465 L466 I482 F484 I514	G465-V519 WeakPolarHBondContact CA-O 3.46Å; L466-V519 HydrophobicContact CB-CG2 3.96Å; L466-V519 HydrophobicContact CD2-CG2 4.44Å; L466-V519 PolarHBondContact N-O 3.36Å; L466-V519 PolarHBondContact O-N 3.31Å; I482-V519 HydrophobicContact CG1-CG1 4.01Å; I482-V519 HydrophobicContact CG1-CG2 4.17Å; I482-V519 WeakPolarHBondContact O-CG1 3.48Å; F484-V519 HydrophobicContact CD1-CG2 4.22Å; F484-V519 HydrophobicContact CE1-CG2 4.25Å; I514-V519 HydrophobicContact CB-CG1 3.95Å
520	T	96.6	Very high	95.1	Very high	35 Å²	35	48.2 Å²	48.2	22%	0.215	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.3	-179.5	58.4	0	0	0	0	111.4	I263 C264 I464 E518	I263-T520 HydrophobicContact CG1-CG2 4.2Å; C264-T520 WeakPolarHBondContact O-CB 3.47Å; C264-T520 WeakPolarHBondContact O-CG2 3.49Å; C264-T520 PolarHBondContact O-OG1 2.97Å; I464-T520 CarbonylContact O-C 3.53Å; I464-T520 VanDerWaalsContact O-CA 3.26Å; I464-T520 WeakPolarHBondContact O-CA 3.38Å; E518-T520 HydrophobicContact CG-CG2 3.81Å; E518-T520 WeakPolarHBondContact OE2-CG2 3.36Å
521	A	94.5	Very high	95.1	Very high	16 Å²	16	41.3 Å²	41.3	13%	0.132	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	140.5	171.3	0	0	0	0	0	110.8	I464 F484 F523	I464-A521 PolarHBondContact N-O 2.67Å; I464-A521 PolarHBondContact O-N 2.89Å; F484-A521 HydrophobicContact CE2-CB 4.49Å; F484-A521 HydrophobicContact CZ-CB 3.9Å; A521-F523 HydrophobicContact CB-CE1 3.87Å; A521-F523 HydrophobicContact CB-CE2 3.88Å; A521-F523 HydrophobicContact CB-CZ 3.3Å
522	Q	92.5	Very high	95.2	Very high	72 Å²	72	40.9 Å²	40.9	34%	0.336	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.4	177.9	-171.6	178.9	-2.9	0	0	110.3	V462 L463	V462-Q522 CarbonylContact O-C 3.42Å; V462-Q522 WeakPolarHBondContact O-CA 3.26Å; L463-Q522 HydrophobicContact CD1-CB 4.1Å
523	F	91.9	Very high	95.4	Very high	32 Å²	32	34.8 Å²	34.8	14%	0.14	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.6	-179.7	-47.1	-69.9	0	0	0	110.7	V462 I464 F484 V486 A509 A521 V525	V462-F523 PolarHBondContact N-O 2.88Å; V462-F523 PolarHBondContact O-N 2.76Å; I464-F523 HydrophobicContact CB-CE2 4.33Å; I464-F523 HydrophobicContact CD1-CD2 4.12Å; I464-F523 HydrophobicContact CD1-CE2 3.9Å; I464-F523 HydrophobicContact CG1-CD2 4.34Å; I464-F523 HydrophobicContact CG1-CE2 4.15Å; F484-F523 AromaticContact CE2-CE2 3.7Å; F484-F523 HydrophobicContact CE2-CE2 3.7Å; F484-F523 AromaticContact CE2-CZ 3.76Å; F484-F523 HydrophobicContact CE2-CZ 3.76Å; F484-F523 HydrophobicContact CZ-CE2 4.17Å; F484-F523 HydrophobicContact CZ-CZ 4.25Å; V486-F523 HydrophobicContact CG2-CE2 4.24Å; A509-F523 HydrophobicContact CB-CD1 3.46Å; A509-F523 VanDerWaalsContact CB-CD1 3.46Å; A509-F523 HydrophobicContact CB-CD2 4.44Å; A509-F523 HydrophobicContact CB-CE1 3.47Å; A509-F523 VanDerWaalsContact CB-CE1 3.47Å; A509-F523 HydrophobicContact CB-CE2 4.44Å; A509-F523 HydrophobicContact CB-CG 3.96Å; A509-F523 HydrophobicContact CB-CZ 3.96Å; A521-F523 HydrophobicContact CB-CE1 3.87Å; A521-F523 HydrophobicContact CB-CE2 3.88Å; A521-F523 HydrophobicContact CB-CZ 3.3Å; F523-V525 HydrophobicContact CB-CG1 4.12Å
524	R	91.6	Very high	95.5	Very high	97 Å²	97	32.4 Å²	32.4	37%	0.366	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	110.1	165.4	-67.4	-160.2	70.8	98.5	10.6	109	D452 D455 D457 K459 C460 S461	D452-R524 IonicContact OD2-NH1 2.76Å; D452-R524 IonicContact OD2-NH2 3.17Å; D455-R524 IonicContact OD1-NH2 3.32Å; D455-R524 PolarHBondContact OD1-NH2 2.74Å; D455-R524 IonicContact OD2-CZ 3.97Å; D455-R524 IonicContact OD2-NH1 2.81Å; D455-R524 PolarHBondContact OD2-NH1 2.85Å; D455-R524 IonicContact OD2-NH2 2.89Å; D455-R524 PolarHBondContact OD2-NH2 3.05Å; D457-R524 IonicContact OD1-CZ 2.56Å; D457-R524 IonicContact OD1-NE 3.69Å; D457-R524 IonicContact OD1-NH2 2.67Å; D457-R524 PolarHBondContact OD1-NH2 2.95Å; D457-R524 IonicContact OD2-CZ 3.85Å; D457-R524 VanDerWaalsContact OD2-CZ 3.25Å; D457-R524 IonicContact OD2-NE 3.84Å; D457-R524 PolarHBondContact OD2-NE 3.35Å; D457-R524 IonicContact OD2-NH2 2.67Å; D457-R524 PolarHBondContact OD2-NH2 2.91Å; K459-R524 HydrophobicContact CB-CB 4.45Å; K459-R524 HydrophobicContact CD-CB 4.01Å; C460-R524 WeakPolarHBondContact O-CA 3.38Å; S461-R524 PolarHBondContact OG-NH1 3.13Å
525	V	94	Very high	95.6	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.3	-175.7	-63.2	0	0	0	0	110.3	V448 K459 C460 V462 I508 F523 Y530	V448-V525 HydrophobicContact CG2-CG2 4.22Å; K459-V525 CarbonylContact C-O 3.56Å; K459-V525 WeakPolarHBondContact CA-O 3.29Å; K459-V525 WeakPolarHBondContact CB-O 3.39Å; C460-V525 HydrophobicContact CB-CG2 4.39Å; C460-V525 PolarHBondContact N-O 2.77Å; C460-V525 PolarHBondContact O-N 3Å; C460-V525 VanDerWaalsContact O-N 3.07Å; V462-V525 HydrophobicContact CG2-CG2 3.76Å; I508-V525 HydrophobicContact CD1-CG1 4.35Å; F523-V525 HydrophobicContact CB-CG1 4.12Å; V525-Y530 HydrophobicContact CB-CE1 4.4Å; V525-Y530 HydrophobicContact CB-CE2 4.07Å; V525-Y530 HydrophobicContact CG2-CD2 4.41Å; V525-Y530 HydrophobicContact CG2-CE2 3.67Å
526	P	94.2	Very high	95.8	Very high	74 Å²	74	24.8 Å²	24.8	48%	0.481	14%	0.138	S	C	.	.			trans	-58	162.1	167.9	-21.7	33.7	0	0	0	111.6	G528 Y530	P526-G528 PolarHBondContact O-N 2.99Å; P526-Y530 PolarHBondContact O-OH 2.96Å
527	P	94.6	Very high	95.9	Very high	46 Å²	46	26 Å²	26	30%	0.299	14%	0.14	S	C	.	.	S	Bend	trans	-56.3	138.4	164.7	-25.7	35.2	0	0	0	111.6	V448 E449	V448-P527 CarbonylContact O-C 3.58Å; V448-P527 VanDerWaalsContact O-CA 3.26Å; V448-P527 WeakPolarHBondContact O-CA 3.42Å; E449-P527 WeakPolarHBondContact O-CB 3.03Å
528	G	94.7	Very high	96	Very high	24 Å²	24	29.5 Å²	29.5	25%	0.247	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-174.9	-177.7	0	0	0	0	0	114.1	T447 V448 P526 Y530	T447-G528 WeakPolarHBondContact CA-O 3.3Å; V448-G528 PolarHBondContact N-O 3.29Å; V448-G528 PolarHBondContact O-N 2.86Å; P526-G528 PolarHBondContact O-N 2.99Å; G528-Y530 WeakPolarHBondContact O-CE2 3.47Å
529	S	96	Very high	95.9	Very high	8 Å²	8	30 Å²	30	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.3	177.3	-65.7	0	0	0	0	112.6	R445 I446 T447 A489	R445-S529 PolarHBondContact NE-OG 3.21Å; R445-S529 PolarHBondContact NH2-OG 2.86Å; I446-S529 CarbonylContact O-C 3.59Å; I446-S529 VanDerWaalsContact O-CA 3.31Å; I446-S529 WeakPolarHBondContact O-CA 3.37Å; T447-S529 WeakPolarHBondContact CG2-OG 3.36Å; T447-S529 PolarHBondContact OG1-OG 3.44Å; A489-S529 WeakPolarHBondContact CB-O 3.46Å; A489-S529 PolarHBondContact N-O 2.91Å
530	Y	97	Very high	95.8	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.6	-177.7	-56.9	-76.1	0	0	0	111.3	R445 I446 V448 V486 Y487 N488 I508 V525 P526 G528	R445-Y530 CarbonylContact C-O 3.47Å; R445-Y530 VanDerWaalsContact CA-O 3.31Å; R445-Y530 WeakPolarHBondContact CA-O 3.41Å; I446-Y530 PolarHBondContact N-O 2.8Å; I446-Y530 PolarHBondContact O-N 2.76Å; V448-Y530 HydrophobicContact CG2-CD2 4.42Å; V448-Y530 HydrophobicContact CG2-CE2 3.98Å; V486-Y530 HydrophobicContact CG1-CD1 4.42Å; V486-Y530 HydrophobicContact CG1-CG 4.42Å; Y487-Y530 CarbonylContact O-C 3.2Å; Y487-Y530 VanDerWaalsContact O-CA 3.24Å; Y487-Y530 WeakPolarHBondContact O-CA 3.26Å; N488-Y530 VanDerWaalsContact OD1-CE1 3.29Å; N488-Y530 WeakPolarHBondContact OD1-CE1 3.15Å; I508-Y530 HydrophobicContact CD1-CD1 3.3Å; I508-Y530 HydrophobicContact CD1-CE1 3.33Å; I508-Y530 HydrophobicContact CD1-CG 4.41Å; V525-Y530 HydrophobicContact CB-CE1 4.4Å; V525-Y530 HydrophobicContact CB-CE2 4.07Å; V525-Y530 HydrophobicContact CG2-CD2 4.41Å; V525-Y530 HydrophobicContact CG2-CE2 3.67Å; P526-Y530 PolarHBondContact O-OH 2.96Å; G528-Y530 WeakPolarHBondContact O-CE2 3.47Å
531	V	97.6	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.4	169.7	-176.1	0	0	0	0	109.4	Q443 F444 V486 Y487 A489 L493 L497 I533 L560	Q443-V531 HydrophobicContact CB-CG1 3.97Å; F444-V531 CarbonylContact O-C 3.56Å; F444-V531 WeakPolarHBondContact O-CA 3.15Å; V486-V531 CarbonylContact C-O 3.49Å; V486-V531 VanDerWaalsContact CA-O 3.31Å; V486-V531 WeakPolarHBondContact CA-O 3.5Å; Y487-V531 PolarHBondContact N-O 2.82Å; Y487-V531 PolarHBondContact O-N 3.17Å; A489-V531 HydrophobicContact CB-CG2 3.68Å; L493-V531 HydrophobicContact CD2-CG2 3.51Å; L497-V531 HydrophobicContact CD1-CB 4.13Å; L497-V531 HydrophobicContact CD1-CG1 4.22Å; L497-V531 HydrophobicContact CD1-CG2 3.95Å; L497-V531 HydrophobicContact CG-CG2 4.48Å; V531-I533 HydrophobicContact CG1-CD1 4.45Å; V531-I533 HydrophobicContact CG1-CG1 3.93Å; V531-L560 HydrophobicContact CG1-CD1 3.95Å; V531-L560 HydrophobicContact CG2-CD1 3.82Å
532	V	98	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.6	172.6	-170.8	0	0	0	0	108.5	F444 I446 I464 F484 M485 V486 P534 L547	F444-V532 PolarHBondContact N-O 3.47Å; F444-V532 PolarHBondContact O-N 2.97Å; I446-V532 HydrophobicContact CD1-CG2 3.98Å; I446-V532 HydrophobicContact CG1-CG2 4.25Å; I464-V532 HydrophobicContact CD1-CG1 4.41Å; I464-V532 HydrophobicContact CD1-CG2 3.83Å; I464-V532 HydrophobicContact CG2-CG1 4.28Å; F484-V532 HydrophobicContact CB-CG1 4.18Å; F484-V532 HydrophobicContact CD2-CG1 4.13Å; F484-V532 HydrophobicContact CG-CG1 4.34Å; M485-V532 WeakPolarHBondContact O-CA 3.47Å; V486-V532 HydrophobicContact CG2-CG2 4.49Å; V532-P534 WeakPolarHBondContact O-CD 3.34Å; V532-L547 HydrophobicContact CB-CD2 4.01Å; V532-L547 HydrophobicContact CG1-CD1 4.09Å; V532-L547 HydrophobicContact CG1-CD2 3.78Å
533	I	98.2	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	97.7	178	-53.9	-173.5	0	0	0	108.5	Y438 N441 Q443 F484 M485 Y487 L502 V531	Y438-I533 HydrophobicContact CE1-CD1 4.32Å; Y438-I533 HydrophobicContact CE2-CG2 4.01Å; Y438-I533 WeakPolarHBondContact OH-CB 3.32Å; N441-I533 HydrophobicContact CB-CG2 3.76Å; Q443-I533 HydrophobicContact CB-CG1 4.44Å; Q443-I533 HydrophobicContact CG-CD1 4.09Å; Q443-I533 HydrophobicContact CG-CG1 4.05Å; F484-I533 VanDerWaalsContact CA-O 3.3Å; F484-I533 WeakPolarHBondContact CA-O 3.34Å; M485-I533 PolarHBondContact N-O 2.89Å; M485-I533 PolarHBondContact O-N 3.3Å; Y487-I533 HydrophobicContact CD2-CD1 4.1Å; Y487-I533 HydrophobicContact CD2-CG1 4.33Å; Y487-I533 HydrophobicContact CE2-CD1 3.88Å; Y487-I533 HydrophobicContact CE2-CG1 4.3Å; L502-I533 HydrophobicContact CD1-CD1 3.73Å; L502-I533 HydrophobicContact CD2-CD1 3.68Å; L502-I533 HydrophobicContact CG-CD1 4.39Å; V531-I533 HydrophobicContact CG1-CD1 4.45Å; V531-I533 HydrophobicContact CG1-CG1 3.93Å
534	P	98.4	Very high	95.9	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	-78.6	138.8	172.3	32.5	-35.6	0	0	0	111.7	W422 P442 F444 L466 F484 V532 F545	W422-P534 HydrophobicContact CZ2-CB 4.06Å; W422-P534 PolarHBondContact NE1-O 2.86Å; W422-P534 VanDerWaalsContact NE1-O 3.1Å; P442-P534 WeakPolarHBondContact O-CD 3.48Å; F444-P534 HydrophobicContact CD2-CG 3.94Å; F444-P534 HydrophobicContact CE2-CG 3.62Å; L466-P534 HydrophobicContact CD1-CB 3.5Å; L466-P534 VanDerWaalsContact CD1-CB 3.5Å; L466-P534 HydrophobicContact CD1-CG 4.38Å; L466-P534 HydrophobicContact CD2-CB 3.54Å; L466-P534 HydrophobicContact CG-CB 4.11Å; F484-P534 HydrophobicContact CB-CB 4.33Å; V532-P534 WeakPolarHBondContact O-CD 3.34Å; P534-F545 HydrophobicContact CB-CE2 4.37Å; P534-F545 HydrophobicContact CG-CE2 3.73Å; P534-F545 HydrophobicContact CG-CZ 3.86Å
535	S	98.5	Very high	96.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.3	176.5	79.7	0	0	0	0	112.3	W422 G430 C431 N441 G483 F513	W422-S535 VanDerWaalsContact CZ2-C 3.49Å; G430-S535 WeakPolarHBondContact O-CB 3.33Å; G430-S535 PolarHBondContact O-OG 3.14Å; C431-S535 WeakPolarHBondContact CA-OG 3.16Å; N441-S535 WeakPolarHBondContact OD1-CB 3.45Å; G483-S535 PolarHBondContact N-O 3.17Å; G483-S535 PolarHBondContact O-N 3.38Å; F513-S535 WeakPolarHBondContact CE1-O 3.46Å; F513-S535 WeakPolarHBondContact CE1-OG 3.27Å; F513-S535 VanDerWaalsContact CZ-OG 3.27Å; F513-S535 WeakPolarHBondContact CZ-OG 3.45Å
536	T	98.5	Very high	96.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	163.8	155.6	51.6	0	0	0	0	109.6	W422 G430 C431 P481 I482 F513 D538 I541	W422-T536 HydrophobicContact CD2-CG2 4.01Å; W422-T536 HydrophobicContact CE3-CG2 3.75Å; W422-T536 HydrophobicContact CH2-CG2 4.46Å; W422-T536 HydrophobicContact CZ3-CG2 3.99Å; G430-T536 CarbonylContact C-O 3.54Å; G430-T536 WeakPolarHBondContact CA-O 3.27Å; C431-T536 PolarHBondContact N-O 3.08Å; P481-T536 CarbonylContact O-C 3.53Å; P481-T536 WeakPolarHBondContact O-CA 3.34Å; I482-T536 HydrophobicContact CG2-CG2 4.18Å; F513-T536 WeakPolarHBondContact CE1-O 3.38Å; T536-D538 WeakPolarHBondContact CB-O 3.46Å; T536-D538 PolarHBondContact OG1-O 3.36Å; T536-I541 HydrophobicContact CG2-CB 3.83Å; T536-I541 HydrophobicContact CG2-CG2 3.71Å
537	F	98	Very high	96.2	Very high	79 Å²	79	27.8 Å²	27.8	35%	0.346	15%	0.151	S	C	.	.	S	Bend	trans	-67.3	-54.3	175	-174.5	-95	0	0	0	111	C431 N434 P481 F513	C431-F537 PolarHBondContact N-O 2.84Å; C431-F537 PolarHBondContact SG-O 3.24Å; N434-F537 PolarHBondContact ND2-O 2.74Å; P481-F537 HydrophobicContact CB-CB 3.86Å; P481-F537 PolarHBondContact O-N 3.26Å; F513-F537 HydrophobicContact CB-CD2 3.97Å; F513-F537 HydrophobicContact CD1-CB 3.81Å; F513-F537 HydrophobicContact CD1-CD2 4.04Å; F513-F537 HydrophobicContact CD1-CG 4.45Å; F513-F537 HydrophobicContact CE1-CB 4.44Å; F513-F537 AromaticContact CG-CD2 3.96Å; F513-F537 HydrophobicContact CG-CD2 3.96Å
538	D	97.5	Very high	96.1	Very high	80 Å²	80	25.6 Å²	25.6	43%	0.428	14%	0.136	S	C	.	.	S	Bend	trans	-88.6	147.4	176.8	-61.6	-56.3	0	0	0	111.2	T536 I541	T536-D538 WeakPolarHBondContact CB-O 3.46Å; T536-D538 PolarHBondContact OG1-O 3.36Å; D538-I541 HydrophobicContact CB-CG1 4.1Å; D538-I541 WeakPolarHBondContact O-CG1 3.48Å
539	P	95.6	Very high	96	Very high	34 Å²	34	24.5 Å²	24.5	22%	0.221	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	169.6	173.9	32.8	-34.4	0	0	0	110.9	A428 N434 I541	A428-P539 CarbonylContact O-C 3.52Å; A428-P539 VanDerWaalsContact O-CA 3.31Å; A428-P539 WeakPolarHBondContact O-CA 3.23Å; N434-P539 WeakPolarHBondContact OD1-CD 3.36Å; P539-I541 PolarHBondContact O-N 2.72Å; P539-I541 VanDerWaalsContact O-N 3.12Å
540	N	93.4	Very high	95.7	Very high	53 Å²	53	24.1 Å²	24.1	28%	0.283	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	6.7	179.4	-69.5	-63.5	0	0	0	116.4	R424 N425 A428 Y681	R424-N540 HydrophobicContact CG-CB 4.08Å; R424-N540 VanDerWaalsContact CG-OD1 3.29Å; R424-N540 WeakPolarHBondContact CG-OD1 3.4Å; N425-N540 PolarHBondContact N-OD1 3.18Å; N425-N540 PolarHBondContact OD1-OD1 3.35Å; A428-N540 PolarHBondContact O-N 3.1Å; N540-Y681 PolarHBondContact N-OH 3.3Å; N540-Y681 VanDerWaalsContact OD1-CE2 3.26Å; N540-Y681 WeakPolarHBondContact OD1-CE2 3.22Å; N540-Y681 VanDerWaalsContact OD1-CZ 3.28Å; N540-Y681 PolarHBondContact OD1-OH 3.2Å
541	I	95.8	Very high	95.3	Very high	45 Å²	45	23.7 Å²	23.7	23%	0.231	12%	0.121	C	C	.	.			trans	-80.8	121.2	176.5	-58.6	-58.3	0	0	0	109.5	W422 Q480 T536 D538 P539 V543	W422-I541 WeakPolarHBondContact CB-O 3.28Å; Q480-I541 HydrophobicContact CB-CG2 4.29Å; Q480-I541 HydrophobicContact CG-CG2 3.76Å; T536-I541 HydrophobicContact CG2-CB 3.83Å; T536-I541 HydrophobicContact CG2-CG2 3.71Å; D538-I541 HydrophobicContact CB-CG1 4.1Å; D538-I541 WeakPolarHBondContact O-CG1 3.48Å; P539-I541 PolarHBondContact O-N 2.72Å; P539-I541 VanDerWaalsContact O-N 3.12Å; I541-V543 HydrophobicContact CG2-CG2 4Å
542	E	94.1	Very high	94.5	Very high	126 Å²	126	25.7 Å²	25.7	59%	0.589	13%	0.13	S	C	*	.			trans	-94.3	111.3	-179.6	-63.3	-167.1	127.2	0	0	111.8	W422 R424	W422-E542 VanDerWaalsContact O-CA 3.26Å; W422-E542 WeakPolarHBondContact O-CA 3.33Å; R424-E542 HydrophobicContact CB-CG 3.73Å; R424-E542 VanDerWaalsContact CB-OE1 3.31Å; R424-E542 WeakPolarHBondContact CB-OE1 3.4Å; R424-E542 PolarHBondContact N-OE1 3.39Å
543	V	93.9	Very high	93.7	Very high	9 Å²	9	26.5 Å²	26.5	6%	0.055	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.5	-179.9	169.8	0	0	0	0	109.4	Q421 W422 Q468 I471 Q480 I541	Q421-V543 WeakPolarHBondContact CA-O 3.37Å; W422-V543 HydrophobicContact CE3-CB 3.77Å; W422-V543 HydrophobicContact CE3-CG1 4.1Å; W422-V543 VanDerWaalsContact CE3-O 3.28Å; W422-V543 HydrophobicContact CZ3-CB 4.06Å; W422-V543 HydrophobicContact CZ3-CG1 3.9Å; W422-V543 PolarHBondContact N-O 3.09Å; W422-V543 PolarHBondContact O-N 3.03Å; Q468-V543 HydrophobicContact CB-CG1 3.51Å; I471-V543 HydrophobicContact CD1-CG1 4.27Å; I471-V543 HydrophobicContact CD1-CG2 4.24Å; Q480-V543 HydrophobicContact CB-CG2 4.36Å; Q480-V543 HydrophobicContact CG-CG2 3.78Å; I541-V543 HydrophobicContact CG2-CG2 4Å
544	N	94.8	Very high	93	Very high	60 Å²	60	30.4 Å²	30.4	32%	0.321	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	143.7	168.9	-69.4	-6.4	0	0	0	109.1	Q421 Q468 T469	Q421-N544 WeakPolarHBondContact CB-OD1 3.28Å; Q468-N544 WeakPolarHBondContact CA-O 3.49Å; T469-N544 PolarHBondContact N-O 2.84Å; T469-N544 WeakPolarHBondContact OG1-CB 3.36Å; T469-N544 PolarHBondContact OG1-O 3.02Å
545	F	95.3	Very high	92.5	Very high	2 Å²	2	31 Å²	31	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	161.5	-178.4	67.9	-94.3	0	0	0	112.5	G420 W422 P442 F444 L466 M467 P534	G420-F545 VanDerWaalsContact C-CE1 3.48Å; G420-F545 PolarHBondContact N-O 3.11Å; G420-F545 PolarHBondContact O-N 2.83Å; G420-F545 VanDerWaalsContact O-O 3.05Å; W422-F545 AromaticContact CD2-CD1 3.61Å; W422-F545 HydrophobicContact CD2-CD1 3.61Å; W422-F545 AromaticContact CD2-CE1 3.76Å; W422-F545 HydrophobicContact CD2-CE1 3.76Å; W422-F545 AromaticContact CE2-CD1 3.63Å; W422-F545 AromaticContact CE2-CE1 3.57Å; W422-F545 HydrophobicContact CE3-CB 4.5Å; W422-F545 AromaticContact CE3-CD1 3.53Å; W422-F545 HydrophobicContact CE3-CD1 3.53Å; W422-F545 HydrophobicContact CE3-CE1 4.19Å; W422-F545 HydrophobicContact CE3-CG 4.38Å; W422-F545 HydrophobicContact CG-CD1 4.41Å; W422-F545 HydrophobicContact CG-CE1 4.21Å; W422-F545 HydrophobicContact CH2-CB 3.84Å; W422-F545 AromaticContact CH2-CD1 3.62Å; W422-F545 HydrophobicContact CH2-CD1 3.62Å; W422-F545 HydrophobicContact CH2-CE1 4.32Å; W422-F545 AromaticContact CH2-CG 3.8Å; W422-F545 HydrophobicContact CH2-CG 3.8Å; W422-F545 AromaticContact CZ2-CD1 3.66Å; W422-F545 HydrophobicContact CZ2-CD1 3.66Å; W422-F545 AromaticContact CZ2-CE1 3.88Å; W422-F545 HydrophobicContact CZ2-CE1 3.88Å; W422-F545 HydrophobicContact CZ2-CG 4.09Å; W422-F545 HydrophobicContact CZ3-CB 3.77Å; W422-F545 AromaticContact CZ3-CD1 3.56Å; W422-F545 HydrophobicContact CZ3-CD1 3.56Å; W422-F545 HydrophobicContact CZ3-CE1 4.46Å; W422-F545 AromaticContact CZ3-CG 3.96Å; W422-F545 HydrophobicContact CZ3-CG 3.96Å; W422-F545 AromaticContact NE1-CE1 3.83Å; P442-F545 HydrophobicContact CB-CZ 4.04Å; P442-F545 HydrophobicContact CG-CE1 4.13Å; P442-F545 HydrophobicContact CG-CZ 3.89Å; F444-F545 AromaticContact CE2-CE2 3.82Å; F444-F545 HydrophobicContact CE2-CE2 3.82Å; F444-F545 HydrophobicContact CE2-CZ 4Å; F444-F545 HydrophobicContact CZ-CE2 4.03Å; F444-F545 HydrophobicContact CZ-CZ 4.16Å; L466-F545 HydrophobicContact CD1-CB 4.03Å; L466-F545 HydrophobicContact CD1-CD2 3.56Å; L466-F545 HydrophobicContact CD1-CE2 4.26Å; L466-F545 HydrophobicContact CD1-CG 3.96Å; M467-F545 CarbonylContact O-C 3.41Å; M467-F545 WeakPolarHBondContact O-CA 3.41Å; M467-F545 WeakPolarHBondContact O-CB 3.43Å; P534-F545 HydrophobicContact CB-CE2 4.37Å; P534-F545 HydrophobicContact CG-CE2 3.73Å; P534-F545 HydrophobicContact CG-CZ 3.86Å
546	I	94.6	Very high	92	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.6	159.5	61.3	165.4	0	0	0	109.7	W194 F196 I417 F418 M467 T469 R548	W194-I546 HydrophobicContact CH2-CD1 3.59Å; W194-I546 HydrophobicContact CZ2-CD1 4.3Å; W194-I546 HydrophobicContact CZ3-CD1 4.44Å; F196-I546 HydrophobicContact CB-CD1 4.48Å; F196-I546 HydrophobicContact CB-CG2 4.31Å; I417-I546 HydrophobicContact CD1-CD1 4.15Å; F418-I546 CarbonylContact O-C 3.58Å; F418-I546 WeakPolarHBondContact O-CA 3.48Å; M467-I546 HydrophobicContact CB-CD1 4.31Å; M467-I546 HydrophobicContact CB-CG1 3.73Å; M467-I546 HydrophobicContact CE-CD1 4.47Å; M467-I546 HydrophobicContact CG-CG1 4.47Å; M467-I546 PolarHBondContact N-O 2.85Å; M467-I546 PolarHBondContact O-N 2.79Å; M467-I546 HydrophobicContact SD-CD1 4.19Å; M467-I546 HydrophobicContact SD-CG1 4.46Å; T469-I546 HydrophobicContact CG2-CG2 4.25Å; I546-R548 HydrophobicContact CD1-CG 4.1Å
547	L	95	Very high	91.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	171.3	-179.4	73.9	0	0	0	108	I417 F418 F444 I464 G465 L466 V532	I417-L547 CarbonylContact C-O 3.54Å; I417-L547 WeakPolarHBondContact CA-O 3.33Å; F418-L547 HydrophobicContact CB-CB 4.29Å; F418-L547 HydrophobicContact CD2-CB 4.32Å; F418-L547 HydrophobicContact CD2-CD2 4.03Å; F418-L547 HydrophobicContact CD2-CG 4.37Å; F418-L547 HydrophobicContact CE2-CD2 4.48Å; F418-L547 PolarHBondContact N-O 2.86Å; F418-L547 PolarHBondContact O-N 2.89Å; F444-L547 HydrophobicContact CB-CD2 3.99Å; F444-L547 HydrophobicContact CD2-CD2 3.48Å; F444-L547 VanDerWaalsContact CD2-CD2 3.48Å; F444-L547 HydrophobicContact CE2-CD2 4.21Å; F444-L547 HydrophobicContact CG-CD2 3.89Å; I464-L547 HydrophobicContact CG2-CD1 3.62Å; G465-L547 CarbonylContact O-C 3.59Å; G465-L547 WeakPolarHBondContact O-CA 3.26Å; L466-L547 HydrophobicContact CB-CD1 4.13Å; L466-L547 HydrophobicContact CD1-CD1 4.31Å; V532-L547 HydrophobicContact CB-CD2 4.01Å; V532-L547 HydrophobicContact CG1-CD1 4.09Å; V532-L547 HydrophobicContact CG1-CD2 3.78Å
548	R	93.2	Very high	91.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.5	-179.3	-64.1	-174.3	-66.4	168.2	6.8	109.9	E257 G262 I263 A416 I417 I464 G465 E518 I546 F550	E257-R548 VanDerWaalsContact CD-NH2 3.33Å; E257-R548 IonicContact OE1-CZ 2.79Å; E257-R548 IonicContact OE1-NH2 2.74Å; E257-R548 PolarHBondContact OE1-NH2 3.48Å; E257-R548 IonicContact OE2-NH2 3.05Å; G262-R548 PolarHBondContact O-NH1 3.2Å; I263-R548 HydrophobicContact CD1-CB 4.23Å; A416-R548 CarbonylContact O-C 3.58Å; A416-R548 WeakPolarHBondContact O-CA 3.45Å; I417-R548 HydrophobicContact CB-CG 4.49Å; I417-R548 HydrophobicContact CD1-CG 4.01Å; I417-R548 HydrophobicContact CG1-CG 3.97Å; I464-R548 CarbonylContact C-O 3.16Å; I464-R548 WeakPolarHBondContact CA-O 3.22Å; G465-R548 PolarHBondContact N-O 3.12Å; G465-R548 PolarHBondContact O-N 2.67Å; E518-R548 IonicContact OE1-CZ 3.89Å; E518-R548 IonicContact OE1-NE 3.87Å; E518-R548 PolarHBondContact OE1-NE 2.91Å; E518-R548 IonicContact OE1-NH2 2.68Å; E518-R548 PolarHBondContact OE1-NH2 3.28Å; E518-R548 IonicContact OE2-CZ 3.53Å; E518-R548 IonicContact OE2-NH2 3.86Å; E518-R548 PolarHBondContact OE2-NH2 3.03Å; I546-R548 HydrophobicContact CD1-CG 4.1Å; R548-F550 HydrophobicContact CB-CD2 4.33Å; R548-F550 HydrophobicContact CB-CE2 4.04Å
549	V	92.5	Very high	90.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.5	177.1	-174.8	0	0	0	0	108.5	E415 A416 I446 V462 L463 I464 I555	E415-V549 WeakPolarHBondContact CA-O 3.22Å; A416-V549 HydrophobicContact CB-CB 4.38Å; A416-V549 PolarHBondContact N-O 3.09Å; A416-V549 PolarHBondContact O-N 2.91Å; I446-V549 HydrophobicContact CD1-CG1 3.77Å; I446-V549 HydrophobicContact CD1-CG2 4.36Å; I446-V549 HydrophobicContact CG2-CB 4.48Å; I446-V549 HydrophobicContact CG2-CG1 4.49Å; I446-V549 HydrophobicContact CG2-CG2 4.05Å; V462-V549 HydrophobicContact CG1-CG1 3.55Å; L463-V549 CarbonylContact O-C 3.55Å; L463-V549 WeakPolarHBondContact O-CA 3.27Å; I464-V549 HydrophobicContact CG1-CG1 4.33Å; I464-V549 HydrophobicContact CG1-CG2 4.25Å; I464-V549 HydrophobicContact CG2-CG2 4.43Å; V549-I555 HydrophobicContact CB-CD1 4.43Å; V549-I555 HydrophobicContact CG1-CD1 4.03Å; V549-I555 VanDerWaalsContact O-CD1 3.29Å; V549-I555 WeakPolarHBondContact O-CD1 3.15Å
550	F	90.6	Very high	90.6	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.3	-178	-81.3	-119.7	0	0	0	109.8	I263 L413 D414 E415 V462 L463 R548	I263-F550 HydrophobicContact CB-CD2 4.13Å; I263-F550 HydrophobicContact CB-CE1 4.32Å; I263-F550 HydrophobicContact CB-CE2 3.86Å; I263-F550 HydrophobicContact CB-CZ 3.97Å; I263-F550 HydrophobicContact CD1-CD2 3.78Å; I263-F550 HydrophobicContact CD1-CE2 4.08Å; I263-F550 HydrophobicContact CD1-CG 4.48Å; I263-F550 HydrophobicContact CG2-CB 4.38Å; I263-F550 HydrophobicContact CG2-CD1 3.53Å; I263-F550 HydrophobicContact CG2-CD2 3.75Å; I263-F550 HydrophobicContact CG2-CE1 3.58Å; I263-F550 HydrophobicContact CG2-CE2 3.81Å; I263-F550 HydrophobicContact CG2-CG 3.64Å; I263-F550 HydrophobicContact CG2-CZ 3.74Å; L413-F550 HydrophobicContact CB-CB 4.47Å; L413-F550 HydrophobicContact CB-CD1 3.8Å; L413-F550 HydrophobicContact CD1-CB 4.18Å; L413-F550 HydrophobicContact CD1-CD1 3.97Å; L413-F550 HydrophobicContact CG-CD1 4.49Å; D414-F550 WeakPolarHBondContact O-CA 3.43Å; E415-F550 HydrophobicContact CB-CD2 4.49Å; E415-F550 HydrophobicContact CB-CE1 4.49Å; E415-F550 HydrophobicContact CB-CE2 4.21Å; E415-F550 HydrophobicContact CB-CZ 4.2Å; E415-F550 VanDerWaalsContact CD-CZ 3.41Å; E415-F550 HydrophobicContact CG-CD2 4.07Å; E415-F550 HydrophobicContact CG-CE2 3.52Å; E415-F550 HydrophobicContact CG-CZ 3.79Å; E415-F550 VanDerWaalsContact OE1-CE2 3.28Å; E415-F550 WeakPolarHBondContact OE1-CE2 3.36Å; E415-F550 WeakPolarHBondContact OE1-CZ 3.04Å; V462-F550 WeakPolarHBondContact CA-O 3.21Å; L463-F550 HydrophobicContact CB-CB 4.14Å; L463-F550 PolarHBondContact N-O 3.43Å; L463-F550 PolarHBondContact O-N 3.14Å; R548-F550 HydrophobicContact CB-CD2 4.33Å; R548-F550 HydrophobicContact CB-CE2 4.04Å
551	S	87.9	Confident	90.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	161.7	174.8	-165.3	0	0	0	0	111.8	L413 D414 S461 T553	L413-S551 CarbonylContact C-O 3.55Å; L413-S551 WeakPolarHBondContact CA-O 3.1Å; L413-S551 WeakPolarHBondContact CB-O 3.36Å; D414-S551 PolarHBondContact N-O 2.88Å; D414-S551 PolarHBondContact O-N 2.99Å; D414-S551 VanDerWaalsContact O-N 3.11Å; S461-S551 WeakPolarHBondContact O-CA 3.34Å; S461-S551 WeakPolarHBondContact O-CB 3.2Å; S461-S551 PolarHBondContact O-OG 3.37Å; S551-T553 VanDerWaalsContact C-N 3.26Å
552	Q	80.4	Confident	90	Very high	43 Å²	43	30.9 Å²	30.9	20%	0.201	16%	0.164	C	C	.	.	S	Bend	trans	-75.3	-21.1	174.3	-55.9	-161.7	58.5	0	0	112	L413 D452	L413-Q552 HydrophobicContact CD2-CB 4.48Å; L413-Q552 HydrophobicContact CD2-CG 3.92Å; D452-Q552 PolarHBondContact OD2-NE2 2.51Å
553	T	81.5	Confident	89.8	Confident	17 Å²	17	29 Å²	29	10%	0.104	16%	0.158	C	C	.	.	S	Bend	trans	-115.8	171.4	-179.6	60.4	0	0	0	0	111.1	D414 D450 P451 S551	D414-T553 WeakPolarHBondContact CB-O 3.21Å; D450-T553 HydrophobicContact CB-CG2 3.86Å; D450-T553 WeakPolarHBondContact O-CB 3.44Å; D450-T553 WeakPolarHBondContact O-CG2 3.42Å; D450-T553 PolarHBondContact O-OG1 3.44Å; P451-T553 WeakPolarHBondContact O-CG2 3.46Å; S551-T553 VanDerWaalsContact C-N 3.26Å
554	S	84.6	Confident	89.7	Confident	82 Å²	82	32 Å²	32	57%	0.573	17%	0.174	S	C	*	.			trans	-64.9	138.6	-175.6	-70.6	0	0	0	0	112.6	D414	D414-S554 VanDerWaalsContact OD2-CA 3.28Å; D414-S554 WeakPolarHBondContact OD2-CA 3.25Å
555	I	86.3	Confident	89.6	Confident	11 Å²	11	31.6 Å²	31.6	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.9	177.9	-55.3	166.2	0	0	0	109.2	D414 A416 I446 T447 V448 V549	D414-I555 PolarHBondContact OD2-N 2.72Å; A416-I555 HydrophobicContact CB-CB 4.5Å; A416-I555 HydrophobicContact CB-CG2 3.95Å; I446-I555 HydrophobicContact CB-CG2 4.32Å; I446-I555 HydrophobicContact CG2-CG2 4.46Å; T447-I555 WeakPolarHBondContact O-CA 3.22Å; V448-I555 HydrophobicContact CG1-CG1 4.2Å; V549-I555 HydrophobicContact CB-CD1 4.43Å; V549-I555 HydrophobicContact CG1-CD1 4.03Å; V549-I555 VanDerWaalsContact O-CD1 3.29Å; V549-I555 WeakPolarHBondContact O-CD1 3.15Å
556	T	89.6	Confident	89.5	Confident	75 Å²	75	34.2 Å²	34.2	46%	0.46	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.3	164.8	-62.9	0	0	0	0	109.6	I446 T447	I446-T556 CarbonylContact C-O 3.59Å; I446-T556 WeakPolarHBondContact CA-O 3.1Å; T447-T556 PolarHBondContact N-O 3.39Å; T447-T556 PolarHBondContact O-N 2.78Å
557	E	86.8	Confident	89.4	Confident	40 Å²	40	40.8 Å²	40.8	19%	0.187	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.4	-173	79.2	-82.4	-159.7	0	0	113.8	K70 A416 F418	K70-E557 IonicContact NZ-OE1 2.83Å; K70-E557 PolarHBondContact NZ-OE1 3.47Å; K70-E557 IonicContact NZ-OE2 2.85Å; A416-E557 HydrophobicContact CB-CB 3.73Å; A416-E557 HydrophobicContact CB-CG 4.12Å; F418-E557 HydrophobicContact CE1-CB 3.97Å; F418-E557 HydrophobicContact CE1-CG 4.26Å; F418-E557 HydrophobicContact CE2-CB 4.35Å; F418-E557 HydrophobicContact CZ-CB 3.56Å; F418-E557 HydrophobicContact CZ-CG 4.29Å
558	Q	89.5	Confident	89.3	Confident	64 Å²	64	42.3 Å²	42.3	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	132	175.6	177.5	-179.5	8.4	0	0	110.8	R445	R445-Q558 HydrophobicContact CB-CB 4.33Å; R445-Q558 PolarHBondContact N-O 3.41Å; R445-Q558 PolarHBondContact O-N 2.99Å
559	E	90.5	Very high	89.3	Confident	47 Å²	47	43.7 Å²	43.7	22%	0.22	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.6	163.1	-177.3	178.4	172.1	0	0	108.6	S15 F444	S15-E559 WeakPolarHBondContact CB-OE2 3.34Å; F444-E559 HydrophobicContact CD1-CB 4.05Å; F444-E559 HydrophobicContact CD1-CG 4.06Å; F444-E559 HydrophobicContact CE1-CB 4.1Å; F444-E559 HydrophobicContact CE1-CG 3.76Å
560	L	91.7	Very high	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.8	173.7	-61.4	175.5	0	0	0	108.2	Q443 R445 L493 L496 V531	Q443-L560 HydrophobicContact CB-CB 4.11Å; Q443-L560 HydrophobicContact CB-CD1 4.14Å; Q443-L560 WeakPolarHBondContact O-CB 3.39Å; Q443-L560 PolarHBondContact O-N 3.34Å; R445-L560 HydrophobicContact CB-CD1 4.29Å; R445-L560 HydrophobicContact CB-CD2 3.95Å; R445-L560 HydrophobicContact CB-CG 4.04Å; L493-L560 HydrophobicContact CD2-CD1 3.77Å; L493-L560 HydrophobicContact CG-CD1 4.32Å; L493-L560 HydrophobicContact CG-CD2 4.42Å; L496-L560 HydrophobicContact CD2-CB 4.2Å; L496-L560 WeakPolarHBondContact CD2-O 3.44Å; V531-L560 HydrophobicContact CG1-CD1 3.95Å; V531-L560 HydrophobicContact CG2-CD1 3.82Å
561	D	89.5	Confident	89.4	Confident	42 Å²	42	51.6 Å²	51.6	23%	0.225	29%	0.286	C	S	.	.			trans	-148.9	165.4	177.3	-161.5	3.6	0	0	0	108.3	S695 N696	D561-S695 WeakPolarHBondContact OD1-CA 3.3Å; D561-S695 WeakPolarHBondContact OD2-CB 3.42Å; D561-N696 VanDerWaalsContact CG-N 3.33Å; D561-N696 VanDerWaalsContact OD1-CG 3.3Å; D561-N696 PolarHBondContact OD1-N 2.91Å; D561-N696 PolarHBondContact OD1-ND2 3.45Å; D561-N696 PolarHBondContact OD2-N 3.03Å
562	E	88.8	Confident	89.6	Confident	23 Å²	23	56.7 Å²	56.7	11%	0.107	31%	0.313	C	S	.	.			trans	-81.3	139.4	173.5	-64	-71.5	-177.9	0	0	110.5	L496 H693 V694 S695	L496-E562 HydrophobicContact CD1-CG 4.09Å; L496-E562 HydrophobicContact CG-CG 4.47Å; E562-H693 HydrophobicContact CB-CB 4.44Å; E562-H693 IonicContact OE2-ND1 3.61Å; E562-V694 WeakPolarHBondContact CB-O 3.4Å; E562-S695 WeakPolarHBondContact O-CA 3.35Å; E562-S695 VanDerWaalsContact O-CB 3.25Å; E562-S695 WeakPolarHBondContact O-CB 3.04Å
563	D	88.1	Confident	90.2	Very high	88 Å²	88	55 Å²	55	47%	0.471	31%	0.306	S	S	.	.			trans	-73	135.6	166	-84.7	-32.5	0	0	0	109	T565 H693	D563-T565 HydrophobicContact CB-CG2 4.16Å; D563-T565 PolarHBondContact O-N 3.11Å; D563-H693 CarbonylContact O-C 3.55Å; D563-H693 VanDerWaalsContact O-O 3.1Å
564	N	91.8	Very high	90.8	Very high	71 Å²	71	56.8 Å²	56.8	38%	0.38	31%	0.314	S	S	.	.			trans	-67.7	100.9	175.7	-66	-47.5	0	0	0	109.6	H693 V694 S695 L698 F730	N564-H693 CarbonylContact C-O 3.49Å; N564-H693 VanDerWaalsContact CA-O 3.26Å; N564-H693 WeakPolarHBondContact CA-O 3.33Å; N564-V694 WeakPolarHBondContact OD1-CA 3.2Å; N564-S695 PolarHBondContact OD1-N 3.34Å; N564-L698 WeakPolarHBondContact OD1-CD2 3.3Å; N564-F730 HydrophobicContact CB-CE1 4.18Å; N564-F730 HydrophobicContact CB-CZ 4.27Å
565	T	93	Very high	91.1	Very high	52 Å²	52	59.2 Å²	59.2	32%	0.319	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.2	-178.8	61.1	0	0	0	0	111	D563 H693	D563-T565 HydrophobicContact CB-CG2 4.16Å; D563-T565 PolarHBondContact O-N 3.11Å; T565-H693 PolarHBondContact N-O 3Å; T565-H693 PolarHBondContact O-N 3.21Å
566	N	94.2	Very high	91.4	Very high	57 Å²	57	60.3 Å²	60.3	31%	0.305	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.5	169.1	177.5	10.7	0	0	0	107.4	G568 G691 Y692 F730	N566-G568 PolarHBondContact OD1-N 3.25Å; N566-G691 WeakPolarHBondContact CA-O 3.46Å; N566-Y692 HydrophobicContact CB-CD1 3.93Å; N566-Y692 HydrophobicContact CB-CE1 3.91Å; N566-F730 HydrophobicContact CB-CB 3.95Å; N566-F730 HydrophobicContact CB-CD1 3.96Å; N566-F730 HydrophobicContact CB-CD2 4.1Å; N566-F730 HydrophobicContact CB-CE1 4.48Å; N566-F730 HydrophobicContact CB-CG 3.75Å
567	Q	92.8	Very high	91.5	Very high	141 Å²	141	57.1 Å²	57.1	66%	0.659	31%	0.307	S	S	*	.			trans	-100.2	0.7	179.1	-60.5	-177.5	16.7	0	0	112.4	G691 H693	Q567-G691 PolarHBondContact N-O 3.44Å; Q567-H693 PolarHBondContact NE2-CD2 3.06Å; Q567-H693 VanDerWaalsContact NE2-CD2 3.35Å; Q567-H693 PolarHBondContact NE2-NE2 2.92Å
568	G	92.1	Very high	91.7	Very high	33 Å²	33	61.6 Å²	61.6	34%	0.34	33%	0.326	S	S	.	.			trans	74.7	174.8	-172.2	0	0	0	0	0	112.7	N566 G691	N566-G568 PolarHBondContact OD1-N 3.25Å; G568-G691 WeakPolarHBondContact O-CA 3.3Å
569	L	93.7	Very high	91.8	Very high	28 Å²	28	63.9 Å²	63.9	15%	0.147	34%	0.34	C	S	.	.	S	Bend	trans	-60.5	131.8	175	-72.7	173.3	0	0	0	110	V573 I574 I666	L569-V573 HydrophobicContact CD2-CG1 4.4Å; L569-I574 HydrophobicContact CB-CD1 4.33Å; L569-I574 HydrophobicContact CB-CG1 4.06Å; L569-I574 WeakPolarHBondContact O-CD1 3.42Å; L569-I666 HydrophobicContact CD2-CD1 3.8Å
570	P	92.6	Very high	91.6	Very high	41 Å²	41	65.1 Å²	65.1	27%	0.266	35%	0.346	S	S	.	.			trans	-56.9	149.2	175.5	-29.9	38.8	0	0	0	113.5	D572 V573 I574 D689	P570-D572 VanDerWaalsContact C-N 3.26Å; P570-D572 WeakPolarHBondContact CB-OD1 3.45Å; P570-D572 PolarHBondContact O-N 3.34Å; P570-V573 HydrophobicContact CB-CG2 4.31Å; P570-V573 WeakPolarHBondContact O-CB 3.14Å; P570-V573 PolarHBondContact O-N 2.95Å; P570-V573 VanDerWaalsContact O-N 3.09Å; P570-I574 PolarHBondContact O-N 3.29Å; P570-D689 WeakPolarHBondContact CD-O 3.01Å; P570-D689 VanDerWaalsContact CG-O 3.28Å; P570-D689 WeakPolarHBondContact CG-O 3.41Å
571	D	93	Very high	91.4	Very high	127 Å²	127	67 Å²	67	68%	0.679	36%	0.355	S	S	*	.	H	α-helix	trans	-57.7	-36.5	-177.2	-75	-29.6	0	0	0	112.8	I574 E575	D571-I574 PolarHBondContact O-N 2.83Å; D571-E575 WeakPolarHBondContact O-CB 3.21Å; D571-E575 WeakPolarHBondContact O-CG 3.49Å; D571-E575 PolarHBondContact O-N 3.41Å
572	D	92.1	Very high	91.3	Very high	108 Å²	108	70.4 Å²	70.4	58%	0.578	38%	0.378	S	S	*	.	H	α-helix	trans	-66.5	-37.4	178.1	63.2	-42.1	0	0	0	112.4	P570 A576	P570-D572 VanDerWaalsContact C-N 3.26Å; P570-D572 WeakPolarHBondContact CB-OD1 3.45Å; P570-D572 PolarHBondContact O-N 3.34Å; D572-A576 WeakPolarHBondContact O-CB 3.48Å; D572-A576 PolarHBondContact O-N 3.42Å
573	V	92.7	Very high	91.2	Very high	9 Å²	9	75.6 Å²	75.6	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-65.4	-45.9	172	179.4	0	0	0	0	109.9	L569 P570 E575 A576 L577 I666	L569-V573 HydrophobicContact CD2-CG1 4.4Å; P570-V573 HydrophobicContact CB-CG2 4.31Å; P570-V573 WeakPolarHBondContact O-CB 3.14Å; P570-V573 PolarHBondContact O-N 2.95Å; P570-V573 VanDerWaalsContact O-N 3.09Å; V573-E575 VanDerWaalsContact C-N 3.32Å; V573-E575 PolarHBondContact O-N 3.02Å; V573-A576 PolarHBondContact O-N 2.66Å; V573-L577 HydrophobicContact CG1-CD1 4.44Å; V573-L577 WeakPolarHBondContact O-CG 3.34Å; V573-L577 PolarHBondContact O-N 3.22Å; V573-I666 HydrophobicContact CG2-CG1 4.42Å
574	I	92.8	Very high	91.1	Very high	53 Å²	53	75.9 Å²	75.9	27%	0.272	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-42.2	178.3	-66	171.4	0	0	0	111.2	L569 P570 D571 L577 K578	L569-I574 HydrophobicContact CB-CD1 4.33Å; L569-I574 HydrophobicContact CB-CG1 4.06Å; L569-I574 WeakPolarHBondContact O-CD1 3.42Å; P570-I574 PolarHBondContact O-N 3.29Å; D571-I574 PolarHBondContact O-N 2.83Å; I574-L577 PolarHBondContact O-N 3.47Å; I574-K578 HydrophobicContact CG2-CD 4.25Å; I574-K578 WeakPolarHBondContact O-CG 3.36Å; I574-K578 PolarHBondContact O-N 3.48Å; I574-K578 VanDerWaalsContact O-N 3.08Å
575	E	92.6	Very high	91	Very high	134 Å²	134	76.2 Å²	76.2	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-63.1	-42.2	176.3	-76	-179.6	179.4	0	0	112.2	D571 V573 K578 L579	D571-E575 WeakPolarHBondContact O-CB 3.21Å; D571-E575 WeakPolarHBondContact O-CG 3.49Å; D571-E575 PolarHBondContact O-N 3.41Å; V573-E575 VanDerWaalsContact C-N 3.32Å; V573-E575 PolarHBondContact O-N 3.02Å; E575-K578 PolarHBondContact O-N 2.54Å; E575-L579 PolarHBondContact O-N 3.23Å; E575-L579 VanDerWaalsContact O-N 3.09Å
576	A	91.8	Very high	90.8	Very high	33 Å²	33	74.9 Å²	74.9	27%	0.273	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-44.8	175.9	0	0	0	0	0	111.9	D572 V573 K578 L579 E580	D572-A576 WeakPolarHBondContact O-CB 3.48Å; D572-A576 PolarHBondContact O-N 3.42Å; V573-A576 PolarHBondContact O-N 2.66Å; A576-K578 PolarHBondContact O-N 3.16Å; A576-L579 PolarHBondContact O-N 2.73Å; A576-E580 PolarHBondContact O-N 2.69Å
577	L	92	Very high	90.7	Very high	8 Å²	8	73.4 Å²	73.4	4%	0.042	39%	0.391	C	S	.	.	H	α-helix	trans	-62.8	-40.1	177.9	-66.6	-180	0	0	0	112.7	V573 I574 L579 E580 D581 K661 H665	V573-L577 HydrophobicContact CG1-CD1 4.44Å; V573-L577 WeakPolarHBondContact O-CG 3.34Å; V573-L577 PolarHBondContact O-N 3.22Å; I574-L577 PolarHBondContact O-N 3.47Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L577-E580 PolarHBondContact O-N 2.85Å; L577-D581 WeakPolarHBondContact O-CB 3.3Å; L577-D581 PolarHBondContact O-N 2.96Å; L577-K661 HydrophobicContact CD1-CB 4.29Å; L577-K661 HydrophobicContact CD2-CB 3.73Å; L577-H665 HydrophobicContact CD2-CB 4.49Å
578	K	90.7	Very high	90.6	Very high	134 Å²	134	71.9 Å²	71.9	58%	0.583	38%	0.384	S	S	*	.	H	α-helix	trans	-64.7	-38.5	176.7	-74.7	172.1	-179	169.5	0	111.9	I574 E575 A576 T582	I574-K578 HydrophobicContact CG2-CD 4.25Å; I574-K578 WeakPolarHBondContact O-CG 3.36Å; I574-K578 PolarHBondContact O-N 3.48Å; I574-K578 VanDerWaalsContact O-N 3.08Å; E575-K578 PolarHBondContact O-N 2.54Å; A576-K578 PolarHBondContact O-N 3.16Å; K578-T582 WeakPolarHBondContact O-CB 3.33Å; K578-T582 PolarHBondContact O-N 2.67Å; K578-T582 PolarHBondContact O-OG1 3.4Å
579	L	90.4	Very high	90.7	Very high	112 Å²	112	75.6 Å²	75.6	59%	0.586	39%	0.392	S	S	*	.	H	α-helix	trans	-67.1	-43.9	177.3	-178.2	63.3	0	0	0	111.2	E575 A576 L577 T582 L583	E575-L579 PolarHBondContact O-N 3.23Å; E575-L579 VanDerWaalsContact O-N 3.09Å; A576-L579 PolarHBondContact O-N 2.73Å; L577-L579 VanDerWaalsContact C-N 3.32Å; L579-T582 PolarHBondContact O-N 2.98Å; L579-L583 HydrophobicContact CG-CD1 4.37Å; L579-L583 VanDerWaalsContact O-CG 3.32Å; L579-L583 WeakPolarHBondContact O-CG 3.47Å; L579-L583 PolarHBondContact O-N 2.7Å
580	E	87.4	Confident	90.7	Very high	74 Å²	74	74.4 Å²	74.4	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-47.2	176.4	-174.8	170.1	-151.9	0	0	111.5	A576 L577 T582 L583 L584	A576-E580 PolarHBondContact O-N 2.69Å; L577-E580 PolarHBondContact O-N 2.85Å; E580-T582 VanDerWaalsContact C-N 3.34Å; E580-T582 PolarHBondContact O-N 2.77Å; E580-L583 WeakPolarHBondContact O-CB 3.36Å; E580-L583 PolarHBondContact O-N 2.7Å; E580-L584 HydrophobicContact CG-CD1 3.85Å; E580-L584 PolarHBondContact O-N 3.18Å
581	D	86.8	Confident	90.8	Very high	39 Å²	39	75.8 Å²	75.8	21%	0.209	39%	0.389	C	S	.	.	H	α-helix	trans	-61.6	-40.8	177.5	-174.8	59.2	0	0	0	112.3	L577 L583 L584 D585 E586 D587	L577-D581 WeakPolarHBondContact O-CB 3.3Å; L577-D581 PolarHBondContact O-N 2.96Å; D581-L583 PolarHBondContact O-N 2.97Å; D581-L583 VanDerWaalsContact O-N 3.12Å; D581-L584 PolarHBondContact O-N 3.04Å; D581-D585 PolarHBondContact O-N 2.81Å; D581-E586 PolarHBondContact OD1-N 3.47Å; D581-D587 VanDerWaalsContact CG-CG 3.48Å; D581-D587 WeakPolarHBondContact OD1-CB 3.4Å; D581-D587 PolarHBondContact OD1-N 3.42Å
582	T	87.5	Confident	90.9	Very high	113 Å²	113	74.9 Å²	74.9	69%	0.693	38%	0.38	S	S	*	.	H	α-helix	trans	-59.9	-26.3	175.3	-56.5	0	0	0	0	112.7	K578 L579 E580	K578-T582 WeakPolarHBondContact O-CB 3.33Å; K578-T582 PolarHBondContact O-N 2.67Å; K578-T582 PolarHBondContact O-OG1 3.4Å; L579-T582 PolarHBondContact O-N 2.98Å; E580-T582 VanDerWaalsContact C-N 3.34Å; E580-T582 PolarHBondContact O-N 2.77Å
583	L	86.7	Confident	91.1	Very high	132 Å²	132	73.6 Å²	73.6	69%	0.691	37%	0.37	S	S	*	.	H	α-helix	trans	-91.8	-30.5	-178.1	-68	169.6	0	0	0	113.3	L579 E580 D581	L579-L583 HydrophobicContact CG-CD1 4.37Å; L579-L583 VanDerWaalsContact O-CG 3.32Å; L579-L583 WeakPolarHBondContact O-CG 3.47Å; L579-L583 PolarHBondContact O-N 2.7Å; E580-L583 WeakPolarHBondContact O-CB 3.36Å; E580-L583 PolarHBondContact O-N 2.7Å; D581-L583 PolarHBondContact O-N 2.97Å; D581-L583 VanDerWaalsContact O-N 3.12Å
584	L	86.3	Confident	91.3	Very high	94 Å²	94	73.2 Å²	73.2	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-115.6	-13	-168.5	-60.2	176.8	0	0	0	114.4	E580 D581 E586	E580-L584 HydrophobicContact CG-CD1 3.85Å; E580-L584 PolarHBondContact O-N 3.18Å; D581-L584 PolarHBondContact O-N 3.04Å; L584-E586 HydrophobicContact CB-CG 3.73Å; L584-E586 WeakPolarHBondContact CD1-OE1 3.45Å; L584-E586 PolarHBondContact O-N 3.07Å
585	D	88.8	Confident	91.4	Very high	79 Å²	79	72.9 Å²	72.9	42%	0.422	37%	0.366	S	S	.	.			trans	56.5	27.8	-178.4	-157.3	33.4	0	0	0	113.4	D581 D587 Q588 E589	D581-D585 PolarHBondContact O-N 2.81Å; D585-D587 VanDerWaalsContact C-N 3.33Å; D585-D587 PolarHBondContact O-N 2.65Å; D585-Q588 PolarHBondContact O-N 2.83Å; D585-Q588 VanDerWaalsContact OD1-CB 3.28Å; D585-Q588 WeakPolarHBondContact OD1-CB 3.46Å; D585-Q588 PolarHBondContact OD1-OE1 2.84Å; D585-E589 PolarHBondContact O-N 2.81Å; D585-E589 VanDerWaalsContact O-N 3.1Å
586	E	88.6	Confident	91.5	Very high	23 Å²	23	70.5 Å²	70.5	11%	0.107	37%	0.369	C	S	.	.	H	α-helix	trans	-63.4	-37.8	-173.2	-72.7	-173.3	-169.6	0	0	112.4	D581 L584 Q588 E589 I590 T618	D581-E586 PolarHBondContact OD1-N 3.47Å; L584-E586 HydrophobicContact CB-CG 3.73Å; L584-E586 WeakPolarHBondContact CD1-OE1 3.45Å; L584-E586 PolarHBondContact O-N 3.07Å; E586-Q588 VanDerWaalsContact C-N 3.34Å; E586-Q588 PolarHBondContact O-N 3.05Å; E586-E589 PolarHBondContact O-N 2.98Å; E586-I590 WeakPolarHBondContact O-CG2 3.43Å; E586-I590 PolarHBondContact O-N 2.94Å; E586-T618 VanDerWaalsContact CD-CG2 3.45Å; E586-T618 HydrophobicContact CG-CG2 4.25Å; E586-T618 WeakPolarHBondContact OE1-CG2 3.34Å; E586-T618 PolarHBondContact OE2-OG1 2.87Å
587	D	92.2	Very high	91.7	Very high	26 Å²	26	71.3 Å²	71.3	14%	0.139	37%	0.368	C	S	.	.	H	α-helix	trans	-67.3	-38.3	-177.6	-69.1	-5.5	0	0	0	111.1	D581 D585 I590 E591 M654 W657 K661	D581-D587 VanDerWaalsContact CG-CG 3.48Å; D581-D587 WeakPolarHBondContact OD1-CB 3.4Å; D581-D587 PolarHBondContact OD1-N 3.42Å; D585-D587 VanDerWaalsContact C-N 3.33Å; D585-D587 PolarHBondContact O-N 2.65Å; D587-I590 WeakPolarHBondContact O-CG2 3.43Å; D587-E591 VanDerWaalsContact O-CB 3.31Å; D587-E591 WeakPolarHBondContact O-CB 3.42Å; D587-E591 PolarHBondContact O-N 2.86Å; D587-E591 VanDerWaalsContact O-N 3.09Å; D587-M654 HydrophobicContact CB-CE 3.97Å; D587-W657 VanDerWaalsContact OD1-CD1 3.31Å; D587-W657 PolarHBondContact OD1-NE1 2.73Å; D587-K661 WeakPolarHBondContact OD1-CE 3.5Å; D587-K661 IonicContact OD1-NZ 2.8Å; D587-K661 PolarHBondContact OD1-NZ 2.87Å; D587-K661 IonicContact OD2-NZ 3.49Å; D587-K661 PolarHBondContact OD2-NZ 3.38Å
588	Q	92.1	Very high	91.8	Very high	110 Å²	110	74.6 Å²	74.6	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-69.4	-42.5	175	-172.8	174.4	-40.3	0	0	111.3	D585 E586 E591 Q592	D585-Q588 PolarHBondContact O-N 2.83Å; D585-Q588 VanDerWaalsContact OD1-CB 3.28Å; D585-Q588 WeakPolarHBondContact OD1-CB 3.46Å; D585-Q588 PolarHBondContact OD1-OE1 2.84Å; E586-Q588 VanDerWaalsContact C-N 3.34Å; E586-Q588 PolarHBondContact O-N 3.05Å; Q588-E591 PolarHBondContact O-N 3.39Å; Q588-Q592 WeakPolarHBondContact O-CG 3.35Å; Q588-Q592 PolarHBondContact O-N 3.42Å; Q588-Q592 VanDerWaalsContact O-N 3.08Å
589	E	92.7	Very high	92	Very high	110 Å²	110	71 Å²	71	51%	0.514	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-44.9	178.3	-75.4	-162.4	164.3	0	0	112.5	D585 E586 Q592 K593	D585-E589 PolarHBondContact O-N 2.81Å; D585-E589 VanDerWaalsContact O-N 3.1Å; E586-E589 PolarHBondContact O-N 2.98Å; E589-Q592 PolarHBondContact O-N 3.04Å; E589-K593 WeakPolarHBondContact O-CG 3.23Å; E589-K593 PolarHBondContact O-N 2.82Å
590	I	94.1	Very high	92.1	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-70.3	-34.8	-179	-157.5	69.7	0	0	0	111.5	E586 D587 K593 F594 L613 F653 M654 W657	E586-I590 WeakPolarHBondContact O-CG2 3.43Å; E586-I590 PolarHBondContact O-N 2.94Å; D587-I590 WeakPolarHBondContact O-CG2 3.43Å; I590-K593 HydrophobicContact CD1-CD 4.2Å; I590-K593 PolarHBondContact O-N 3.34Å; I590-F594 WeakPolarHBondContact O-CB 3.46Å; I590-F594 PolarHBondContact O-N 3.12Å; I590-L613 HydrophobicContact CD1-CD1 3.64Å; I590-L613 HydrophobicContact CD1-CG 3.89Å; I590-L613 HydrophobicContact CG1-CD1 4.24Å; I590-L613 HydrophobicContact CG1-CG 4.33Å; I590-F653 HydrophobicContact CG1-CE1 3.85Å; I590-F653 HydrophobicContact CG1-CZ 3.64Å; I590-F653 HydrophobicContact CG2-CE1 4.13Å; I590-M654 HydrophobicContact CG2-CE 4.36Å; I590-M654 HydrophobicContact CG2-SD 4.29Å; I590-W657 HydrophobicContact CB-CZ2 4.43Å; I590-W657 HydrophobicContact CD1-CH2 4.49Å; I590-W657 HydrophobicContact CD1-CZ3 4.4Å; I590-W657 HydrophobicContact CG1-CD2 4.38Å; I590-W657 HydrophobicContact CG1-CE3 4.24Å; I590-W657 HydrophobicContact CG1-CH2 4.39Å; I590-W657 HydrophobicContact CG1-CZ2 4.49Å; I590-W657 HydrophobicContact CG1-CZ3 4.24Å; I590-W657 HydrophobicContact CG2-CD2 4.09Å; I590-W657 HydrophobicContact CG2-CG 4.26Å; I590-W657 HydrophobicContact CG2-CZ2 4.3Å
591	E	95.4	Very high	92.2	Very high	69 Å²	69	77 Å²	77	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-59.4	-47.1	172.2	-178.9	177.4	169.9	0	0	110.6	D587 Q588 K593 F594 L595 L650 M654	D587-E591 VanDerWaalsContact O-CB 3.31Å; D587-E591 WeakPolarHBondContact O-CB 3.42Å; D587-E591 PolarHBondContact O-N 2.86Å; D587-E591 VanDerWaalsContact O-N 3.09Å; Q588-E591 PolarHBondContact O-N 3.39Å; E591-K593 VanDerWaalsContact C-N 3.34Å; E591-K593 PolarHBondContact O-N 3.22Å; E591-F594 WeakPolarHBondContact O-CB 3.26Å; E591-F594 PolarHBondContact O-N 2.72Å; E591-L595 HydrophobicContact CG-CD1 4.12Å; E591-L595 HydrophobicContact CG-CG 4.42Å; E591-L595 WeakPolarHBondContact O-CB 3.44Å; E591-L595 VanDerWaalsContact O-CG 3.24Å; E591-L595 WeakPolarHBondContact O-CG 3.3Å; E591-L595 PolarHBondContact O-N 3.23Å; E591-L650 HydrophobicContact CG-CD1 3.95Å; E591-L650 HydrophobicContact CG-CD2 4.07Å; E591-M654 HydrophobicContact CB-SD 4.32Å
592	Q	95.3	Very high	92.4	Very high	108 Å²	108	78.3 Å²	78.3	51%	0.505	41%	0.409	S	S	.	.	H	α-helix	trans	-62.9	-40.1	177.1	-66.4	-51.3	-48.7	0	0	112.3	Q588 E589 L595 A596	Q588-Q592 WeakPolarHBondContact O-CG 3.35Å; Q588-Q592 PolarHBondContact O-N 3.42Å; Q588-Q592 VanDerWaalsContact O-N 3.08Å; E589-Q592 PolarHBondContact O-N 3.04Å; Q592-L595 PolarHBondContact O-N 2.77Å; Q592-A596 WeakPolarHBondContact O-CB 3.16Å; Q592-A596 PolarHBondContact O-N 3.12Å
593	K	95.3	Very high	92.7	Very high	82 Å²	82	76.9 Å²	76.9	36%	0.357	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.2	-71.6	172.7	-178.7	170.2	0	111.4	E589 I590 E591 A596 I597 L613 N616	E589-K593 WeakPolarHBondContact O-CG 3.23Å; E589-K593 PolarHBondContact O-N 2.82Å; I590-K593 HydrophobicContact CD1-CD 4.2Å; I590-K593 PolarHBondContact O-N 3.34Å; E591-K593 VanDerWaalsContact C-N 3.34Å; E591-K593 PolarHBondContact O-N 3.22Å; K593-A596 PolarHBondContact O-N 3.11Å; K593-I597 WeakPolarHBondContact O-CG1 3.38Å; K593-I597 PolarHBondContact O-N 3.39Å; K593-L613 HydrophobicContact CB-CD1 3.42Å; K593-L613 VanDerWaalsContact CB-CD1 3.42Å; K593-L613 HydrophobicContact CD-CD1 4.43Å; K593-N616 PolarHBondContact NZ-O 2.92Å; K593-N616 VanDerWaalsContact NZ-O 3.16Å
594	F	96.8	Very high	93.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57.8	-50.7	173.9	-178.5	-76.7	0	0	0	110.8	I590 E591 A596 I597 R598 I605 L613 V648 L650 F653	I590-F594 WeakPolarHBondContact O-CB 3.46Å; I590-F594 PolarHBondContact O-N 3.12Å; E591-F594 WeakPolarHBondContact O-CB 3.26Å; E591-F594 PolarHBondContact O-N 2.72Å; F594-A596 PolarHBondContact O-N 3.31Å; F594-I597 WeakPolarHBondContact O-CG1 3.49Å; F594-I597 PolarHBondContact O-N 3.37Å; F594-I597 VanDerWaalsContact O-N 3.12Å; F594-R598 HydrophobicContact CD1-CB 4.44Å; F594-R598 HydrophobicContact CE1-CB 4.12Å; F594-R598 PolarHBondContact O-N 3.41Å; F594-I605 HydrophobicContact CD2-CD1 3.6Å; F594-I605 HydrophobicContact CD2-CG1 4.18Å; F594-I605 HydrophobicContact CD2-CG2 4.4Å; F594-I605 HydrophobicContact CE2-CB 4.35Å; F594-I605 HydrophobicContact CE2-CD1 3.38Å; F594-I605 HydrophobicContact CE2-CG1 3.48Å; F594-I605 VanDerWaalsContact CE2-CG1 3.48Å; F594-I605 HydrophobicContact CE2-CG2 4.08Å; F594-I605 HydrophobicContact CZ-CD1 4.38Å; F594-I605 HydrophobicContact CZ-CG1 4.05Å; F594-I605 HydrophobicContact CZ-CG2 4.19Å; F594-L613 HydrophobicContact CB-CD2 4.04Å; F594-L613 HydrophobicContact CD2-CD2 3.95Å; F594-L613 HydrophobicContact CG-CD2 4.49Å; F594-V648 WeakPolarHBondContact CZ-O 3.3Å; F594-L650 HydrophobicContact CB-CD1 4.01Å; F594-L650 HydrophobicContact CD1-CB 4.09Å; F594-L650 HydrophobicContact CD1-CD1 3.45Å; F594-L650 VanDerWaalsContact CD1-CD1 3.45Å; F594-L650 HydrophobicContact CD1-CG 4.33Å; F594-L650 HydrophobicContact CD2-CD1 4.33Å; F594-L650 HydrophobicContact CE1-CB 3.74Å; F594-L650 HydrophobicContact CE1-CD1 3.98Å; F594-L650 HydrophobicContact CE1-CG 4.46Å; F594-L650 HydrophobicContact CG-CD1 3.68Å; F594-L650 HydrophobicContact CZ-CB 4.24Å; F594-F653 HydrophobicContact CB-CD1 4.29Å; F594-F653 HydrophobicContact CB-CE1 4.34Å; F594-F653 HydrophobicContact CD2-CB 3.83Å; F594-F653 AromaticContact CD2-CD1 3.51Å; F594-F653 HydrophobicContact CD2-CD1 3.51Å; F594-F653 HydrophobicContact CD2-CD2 4.18Å; F594-F653 HydrophobicContact CD2-CE1 4.14Å; F594-F653 AromaticContact CD2-CG 3.54Å; F594-F653 HydrophobicContact CD2-CG 3.54Å; F594-F653 HydrophobicContact CE2-CB 3.53Å; F594-F653 HydrophobicContact CE2-CD1 4.15Å; F594-F653 HydrophobicContact CE2-CD2 4.41Å; F594-F653 AromaticContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CG-CD1 4.15Å; F594-F653 HydrophobicContact CZ-CB 4.41Å
595	L	96	Very high	93.6	Very high	46 Å²	46	66.3 Å²	66.3	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-58.2	-33.4	-179.5	-72	173.4	0	0	0	111.6	E591 Q592 R598 L650	E591-L595 HydrophobicContact CG-CD1 4.12Å; E591-L595 HydrophobicContact CG-CG 4.42Å; E591-L595 WeakPolarHBondContact O-CB 3.44Å; E591-L595 VanDerWaalsContact O-CG 3.24Å; E591-L595 WeakPolarHBondContact O-CG 3.3Å; E591-L595 PolarHBondContact O-N 3.23Å; Q592-L595 PolarHBondContact O-N 2.77Å; L595-R598 PolarHBondContact O-NH1 3.18Å; L595-L650 HydrophobicContact CD2-CD2 3.98Å
596	A	95.5	Very high	93.8	Very high	85 Å²	85	65.3 Å²	65.3	70%	0.702	34%	0.337	S	S	*	.	H	α-helix	trans	-74.5	-31.8	178.8	0	0	0	0	0	114.1	Q592 K593 F594	Q592-A596 WeakPolarHBondContact O-CB 3.16Å; Q592-A596 PolarHBondContact O-N 3.12Å; K593-A596 PolarHBondContact O-N 3.11Å; F594-A596 PolarHBondContact O-N 3.31Å
597	I	94.9	Very high	94.1	Very high	49 Å²	49	65.2 Å²	65.2	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-99.3	-14.1	-175	68.9	173.4	0	0	0	113.9	K593 F594 I605 K609 L613	K593-I597 WeakPolarHBondContact O-CG1 3.38Å; K593-I597 PolarHBondContact O-N 3.39Å; F594-I597 WeakPolarHBondContact O-CG1 3.49Å; F594-I597 PolarHBondContact O-N 3.37Å; F594-I597 VanDerWaalsContact O-N 3.12Å; I597-I605 HydrophobicContact CD1-CG2 4.24Å; I597-I605 HydrophobicContact CG1-CG2 3.91Å; I597-K609 HydrophobicContact CD1-CB 4.2Å; I597-K609 WeakPolarHBondContact CD1-O 3.41Å; I597-K609 VanDerWaalsContact O-CD 3.32Å; I597-K609 WeakPolarHBondContact O-CD 3.19Å; I597-K609 WeakPolarHBondContact O-CE 3.37Å; I597-K609 PolarHBondContact O-NZ 2.8Å; I597-L613 HydrophobicContact CD1-CB 3.8Å; I597-L613 HydrophobicContact CD1-CD1 4.2Å; I597-L613 HydrophobicContact CD1-CD2 4.25Å; I597-L613 HydrophobicContact CD1-CG 4.32Å
598	R	95.3	Very high	94.3	Very high	78 Å²	78	68.2 Å²	68.2	29%	0.294	36%	0.359	S	S	.	.	S	Bend	trans	-56.1	150.4	-177.9	76.9	-175.2	-170.3	-104.2	22.7	113	F594 L595 P600 N603 I605	F594-R598 HydrophobicContact CD1-CB 4.44Å; F594-R598 HydrophobicContact CE1-CB 4.12Å; F594-R598 PolarHBondContact O-N 3.41Å; L595-R598 PolarHBondContact O-NH1 3.18Å; R598-P600 WeakPolarHBondContact O-CD 3.39Å; R598-N603 PolarHBondContact NE-OD1 3.2Å; R598-I605 HydrophobicContact CB-CG2 4.16Å
599	D	93.4	Very high	94.5	Very high	57 Å²	57	65.7 Å²	65.7	31%	0.305	35%	0.346	S	S	.	.			trans	-66.8	124.4	170.2	-173.3	-67.7	0	0	0	109.6	K601 T602 N603 A604	D599-K601 PolarHBondContact O-N 3.15Å; D599-K601 VanDerWaalsContact O-N 3.14Å; D599-K601 WeakPolarHBondContact OD1-CA 3.3Å; D599-K601 VanDerWaalsContact OD1-CB 3.25Å; D599-K601 WeakPolarHBondContact OD1-CB 3.27Å; D599-K601 PolarHBondContact OD1-N 2.84Å; D599-T602 WeakPolarHBondContact CB-OG1 3.49Å; D599-T602 PolarHBondContact O-N 2.97Å; D599-T602 PolarHBondContact OD1-N 2.76Å; D599-N603 VanDerWaalsContact O-CA 3.27Å; D599-N603 WeakPolarHBondContact O-CA 3.33Å; D599-N603 PolarHBondContact O-N 3.41Å; D599-A604 PolarHBondContact N-O 3.34Å
600	P	92	Very high	94.7	Very high	116 Å²	116	60.4 Å²	60.4	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.1	-177.1	-23.9	34.2	0	0	0	114.8	R598	R598-P600 WeakPolarHBondContact O-CD 3.39Å
601	K	90.9	Very high	94.8	Very high	196 Å²	196	60.5 Å²	60.5	85%	0.852	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-43.1	179.7	-61.3	-179.8	177.7	177.5	0	112.1	D599	D599-K601 PolarHBondContact O-N 3.15Å; D599-K601 VanDerWaalsContact O-N 3.14Å; D599-K601 WeakPolarHBondContact OD1-CA 3.3Å; D599-K601 VanDerWaalsContact OD1-CB 3.25Å; D599-K601 WeakPolarHBondContact OD1-CB 3.27Å; D599-K601 PolarHBondContact OD1-N 2.84Å
602	T	91.3	Very high	94.7	Very high	68 Å²	68	62.4 Å²	62.4	42%	0.417	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-16.7	-178.1	66.3	0	0	0	0	112.9	D599 A604	D599-T602 WeakPolarHBondContact CB-OG1 3.49Å; D599-T602 PolarHBondContact O-N 2.97Å; D599-T602 PolarHBondContact OD1-N 2.76Å; T602-A604 PolarHBondContact O-N 3.15Å; T602-A604 PolarHBondContact OG1-N 2.86Å
603	N	93.8	Very high	94.8	Very high	83 Å²	83	57.6 Å²	57.6	44%	0.444	31%	0.31	S	S	.	.	S	Bend	trans	57.1	23.4	-167.6	-68.1	-62	0	0	0	114.2	R598 D599	R598-N603 PolarHBondContact NE-OD1 3.2Å; D599-N603 VanDerWaalsContact O-CA 3.27Å; D599-N603 WeakPolarHBondContact O-CA 3.33Å; D599-N603 PolarHBondContact O-N 3.41Å
604	A	94.9	Very high	94.8	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	29%	0.294	C	S	.	.			trans	-127.7	166.4	-175.9	0	0	0	0	0	112.1	D599 T602 H647 V648 E649	D599-A604 PolarHBondContact N-O 3.34Å; T602-A604 PolarHBondContact O-N 3.15Å; T602-A604 PolarHBondContact OG1-N 2.86Å; A604-H647 HydrophobicContact CB-CB 3.7Å; A604-V648 VanDerWaalsContact CA-O 3.25Å; A604-V648 WeakPolarHBondContact CA-O 3.34Å; A604-V648 VanDerWaalsContact CB-O 3.29Å; A604-V648 WeakPolarHBondContact CB-O 3.37Å; A604-E649 HydrophobicContact CB-CG 4.29Å
605	I	95.8	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	150.5	174.3	62.2	175.6	0	0	0	110.9	F594 I597 R598 K609 L610 L613 H647 V648	F594-I605 HydrophobicContact CD2-CD1 3.6Å; F594-I605 HydrophobicContact CD2-CG1 4.18Å; F594-I605 HydrophobicContact CD2-CG2 4.4Å; F594-I605 HydrophobicContact CE2-CB 4.35Å; F594-I605 HydrophobicContact CE2-CD1 3.38Å; F594-I605 HydrophobicContact CE2-CG1 3.48Å; F594-I605 VanDerWaalsContact CE2-CG1 3.48Å; F594-I605 HydrophobicContact CE2-CG2 4.08Å; F594-I605 HydrophobicContact CZ-CD1 4.38Å; F594-I605 HydrophobicContact CZ-CG1 4.05Å; F594-I605 HydrophobicContact CZ-CG2 4.19Å; I597-I605 HydrophobicContact CD1-CG2 4.24Å; I597-I605 HydrophobicContact CG1-CG2 3.91Å; R598-I605 HydrophobicContact CB-CG2 4.16Å; I605-K609 HydrophobicContact CB-CB 3.9Å; I605-K609 HydrophobicContact CB-CD 4.45Å; I605-K609 HydrophobicContact CG2-CB 4.18Å; I605-K609 HydrophobicContact CG2-CD 4.28Å; I605-L610 HydrophobicContact CD1-CB 4.01Å; I605-L610 HydrophobicContact CD1-CD1 3.91Å; I605-L613 HydrophobicContact CD1-CD2 4.1Å; I605-H647 CarbonylContact O-C 3.56Å; I605-H647 WeakPolarHBondContact O-CA 3.46Å; I605-V648 HydrophobicContact CG1-CB 4.25Å; I605-V648 PolarHBondContact N-O 3.35Å; I605-V648 PolarHBondContact O-N 2.89Å
606	N	94.3	Very high	94.6	Very high	59 Å²	59	59.8 Å²	59.8	32%	0.316	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	175.8	171.7	66.8	19.2	0	0	0	110.7	V608 K609 L610	N606-V608 PolarHBondContact O-N 2.98Å; N606-V608 VanDerWaalsContact O-N 3.1Å; N606-V608 PolarHBondContact OD1-N 3.31Å; N606-V608 VanDerWaalsContact OD1-N 3.15Å; N606-K609 PolarHBondContact O-N 3.4Å; N606-K609 PolarHBondContact OD1-N 3.12Å; N606-K609 VanDerWaalsContact OD1-N 3.09Å; N606-L610 PolarHBondContact O-N 2.89Å
607	A	95	Very high	94.5	Very high	21 Å²	21	56.3 Å²	56.3	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-56.1	-29.6	-178.9	0	0	0	0	0	114.6	G611 C633 R634 V637	A607-G611 PolarHBondContact O-N 3.39Å; A607-G611 VanDerWaalsContact O-N 3.07Å; A607-C633 HydrophobicContact CB-CB 4.13Å; A607-C633 VanDerWaalsContact O-CB 3.25Å; A607-C633 WeakPolarHBondContact O-CB 3.49Å; A607-R634 HydrophobicContact CB-CG 3.91Å; A607-V637 HydrophobicContact CB-CG2 3.84Å
608	V	95.5	Very high	94.4	Very high	88 Å²	88	55.6 Å²	55.6	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-71	-50	179	178.3	0	0	0	0	110.4	N606 L610 G611 E612	N606-V608 PolarHBondContact O-N 2.98Å; N606-V608 VanDerWaalsContact O-N 3.1Å; N606-V608 PolarHBondContact OD1-N 3.31Å; N606-V608 VanDerWaalsContact OD1-N 3.15Å; V608-L610 VanDerWaalsContact C-N 3.29Å; V608-L610 PolarHBondContact O-N 3.3Å; V608-G611 PolarHBondContact O-N 3.46Å; V608-G611 VanDerWaalsContact O-N 3.15Å; V608-E612 PolarHBondContact O-N 3.08Å
609	K	96	Very high	94.3	Very high	57 Å²	57	51.9 Å²	51.9	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-34.7	176.6	-72.9	-177	173.5	-172.3	0	112	I597 I605 N606 E612 L613	I597-K609 HydrophobicContact CD1-CB 4.2Å; I597-K609 WeakPolarHBondContact CD1-O 3.41Å; I597-K609 VanDerWaalsContact O-CD 3.32Å; I597-K609 WeakPolarHBondContact O-CD 3.19Å; I597-K609 WeakPolarHBondContact O-CE 3.37Å; I597-K609 PolarHBondContact O-NZ 2.8Å; I605-K609 HydrophobicContact CB-CB 3.9Å; I605-K609 HydrophobicContact CB-CD 4.45Å; I605-K609 HydrophobicContact CG2-CB 4.18Å; I605-K609 HydrophobicContact CG2-CD 4.28Å; N606-K609 PolarHBondContact O-N 3.4Å; N606-K609 PolarHBondContact OD1-N 3.12Å; N606-K609 VanDerWaalsContact OD1-N 3.09Å; K609-E612 PolarHBondContact O-N 2.74Å; K609-L613 WeakPolarHBondContact O-CB 3.34Å; K609-L613 PolarHBondContact O-N 2.8Å
610	L	96.4	Very high	94.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-46.4	171.8	-178.3	64.4	0	0	0	110.9	I605 N606 V608 E612 L613 L614 M636 V637 F653	I605-L610 HydrophobicContact CD1-CB 4.01Å; I605-L610 HydrophobicContact CD1-CD1 3.91Å; N606-L610 PolarHBondContact O-N 2.89Å; V608-L610 VanDerWaalsContact C-N 3.29Å; V608-L610 PolarHBondContact O-N 3.3Å; L610-E612 PolarHBondContact O-N 2.76Å; L610-L613 WeakPolarHBondContact O-CB 3.38Å; L610-L613 PolarHBondContact O-N 3.49Å; L610-L614 HydrophobicContact CD1-CD1 3.9Å; L610-L614 HydrophobicContact CD1-CD2 4.38Å; L610-L614 HydrophobicContact CD1-CG 3.97Å; L610-L614 HydrophobicContact CD2-CD1 4.46Å; L610-L614 HydrophobicContact CG-CD1 3.85Å; L610-L614 HydrophobicContact CG-CG 4.25Å; L610-L614 VanDerWaalsContact O-CG 3.31Å; L610-L614 WeakPolarHBondContact O-CG 3.46Å; L610-L614 PolarHBondContact O-N 3.35Å; L610-M636 HydrophobicContact CD2-CB 3.85Å; L610-V637 HydrophobicContact CD2-CG2 3.78Å; L610-F653 HydrophobicContact CD1-CD2 3.75Å; L610-F653 HydrophobicContact CD1-CE2 3.74Å
611	G	96.1	Very high	94.2	Very high	6 Å²	6	51.2 Å²	51.2	6%	0.062	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-42.3	174.9	0	0	0	0	0	113.2	A607 V608 L613 N615 C633	A607-G611 PolarHBondContact O-N 3.39Å; A607-G611 VanDerWaalsContact O-N 3.07Å; V608-G611 PolarHBondContact O-N 3.46Å; V608-G611 VanDerWaalsContact O-N 3.15Å; G611-L613 VanDerWaalsContact C-N 3.31Å; G611-L613 PolarHBondContact O-N 3.31Å; G611-N615 VanDerWaalsContact O-CB 3.23Å; G611-N615 WeakPolarHBondContact O-CB 3.27Å; G611-N615 VanDerWaalsContact O-CG 3.23Å; G611-N615 PolarHBondContact O-N 3.15Å; G611-N615 PolarHBondContact O-ND2 3.06Å; G611-C633 WeakPolarHBondContact CA-SG 3.2Å
612	E	95.2	Very high	94.4	Very high	108 Å²	108	42.5 Å²	42.5	51%	0.505	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-40.2	174.4	-69.6	172.4	-172.5	0	0	112.1	V608 K609 L610 N616	V608-E612 PolarHBondContact O-N 3.08Å; K609-E612 PolarHBondContact O-N 2.74Å; L610-E612 PolarHBondContact O-N 2.76Å; E612-N616 PolarHBondContact O-ND2 2.78Å
613	L	95.9	Very high	94.3	Very high	7 Å²	7	42 Å²	42	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-51.7	178.3	-174.4	60.3	0	0	0	111.7	I590 K593 F594 I597 I605 K609 L610 G611 N616 F653	I590-L613 HydrophobicContact CD1-CD1 3.64Å; I590-L613 HydrophobicContact CD1-CG 3.89Å; I590-L613 HydrophobicContact CG1-CD1 4.24Å; I590-L613 HydrophobicContact CG1-CG 4.33Å; K593-L613 HydrophobicContact CB-CD1 3.42Å; K593-L613 VanDerWaalsContact CB-CD1 3.42Å; K593-L613 HydrophobicContact CD-CD1 4.43Å; F594-L613 HydrophobicContact CB-CD2 4.04Å; F594-L613 HydrophobicContact CD2-CD2 3.95Å; F594-L613 HydrophobicContact CG-CD2 4.49Å; I597-L613 HydrophobicContact CD1-CB 3.8Å; I597-L613 HydrophobicContact CD1-CD1 4.2Å; I597-L613 HydrophobicContact CD1-CD2 4.25Å; I597-L613 HydrophobicContact CD1-CG 4.32Å; I605-L613 HydrophobicContact CD1-CD2 4.1Å; K609-L613 WeakPolarHBondContact O-CB 3.34Å; K609-L613 PolarHBondContact O-N 2.8Å; L610-L613 WeakPolarHBondContact O-CB 3.38Å; L610-L613 PolarHBondContact O-N 3.49Å; G611-L613 VanDerWaalsContact C-N 3.31Å; G611-L613 PolarHBondContact O-N 3.31Å; L613-N616 CarbonylContact O-C 3.57Å; L613-N616 PolarHBondContact O-N 3.45Å; L613-F653 HydrophobicContact CD2-CD2 4.27Å; L613-F653 HydrophobicContact CD2-CE1 3.85Å; L613-F653 HydrophobicContact CD2-CE2 3.58Å; L613-F653 HydrophobicContact CD2-CZ 3.34Å; L613-F653 HydrophobicContact CG-CE2 4.46Å; L613-F653 HydrophobicContact CG-CZ 4.12Å
614	L	95.8	Very high	94.2	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-37.6	-175	-62.6	179.1	0	0	0	112.7	L610 N616 S617 L619 F628 M636 F653 W657	L610-L614 HydrophobicContact CD1-CD1 3.9Å; L610-L614 HydrophobicContact CD1-CD2 4.38Å; L610-L614 HydrophobicContact CD1-CG 3.97Å; L610-L614 HydrophobicContact CD2-CD1 4.46Å; L610-L614 HydrophobicContact CG-CD1 3.85Å; L610-L614 HydrophobicContact CG-CG 4.25Å; L610-L614 VanDerWaalsContact O-CG 3.31Å; L610-L614 WeakPolarHBondContact O-CG 3.46Å; L610-L614 PolarHBondContact O-N 3.35Å; L614-N616 PolarHBondContact O-N 2.92Å; L614-S617 WeakPolarHBondContact O-CB 3.45Å; L614-S617 PolarHBondContact O-N 3.32Å; L614-S617 VanDerWaalsContact O-N 3.13Å; L614-S617 PolarHBondContact O-OG 3.17Å; L614-L619 HydrophobicContact CD2-CD1 4.08Å; L614-F628 HydrophobicContact CB-CB 4.38Å; L614-F628 HydrophobicContact CB-CD1 4.19Å; L614-F628 HydrophobicContact CB-CD2 3.52Å; L614-F628 HydrophobicContact CB-CE1 4.41Å; L614-F628 HydrophobicContact CB-CE2 3.76Å; L614-F628 HydrophobicContact CB-CG 3.76Å; L614-F628 HydrophobicContact CB-CZ 4.21Å; L614-F628 HydrophobicContact CD1-CD1 3.69Å; L614-F628 HydrophobicContact CD1-CE1 3.89Å; L614-F628 HydrophobicContact CD1-CG 4.06Å; L614-F628 HydrophobicContact CD1-CZ 4.39Å; L614-M636 HydrophobicContact CD1-CE 3.72Å; L614-M636 HydrophobicContact CD1-SD 3.57Å; L614-M636 VanDerWaalsContact CD1-SD 3.57Å; L614-F653 HydrophobicContact CD2-CE2 4.03Å; L614-F653 HydrophobicContact CD2-CZ 4.48Å; L614-W657 HydrophobicContact CD2-CE3 4.09Å; L614-W657 HydrophobicContact CD2-CZ3 4.14Å
615	N	95.3	Very high	94.1	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.2	175.7	-74.3	-45.4	0	0	0	113.5	G611 Q620 G627 F628	G611-N615 VanDerWaalsContact O-CB 3.23Å; G611-N615 WeakPolarHBondContact O-CB 3.27Å; G611-N615 VanDerWaalsContact O-CG 3.23Å; G611-N615 PolarHBondContact O-N 3.15Å; G611-N615 PolarHBondContact O-ND2 3.06Å; N615-Q620 PolarHBondContact OD1-OE1 2.91Å; N615-G627 WeakPolarHBondContact OD1-CA 2.97Å; N615-F628 PolarHBondContact ND2-O 3.11Å; N615-F628 PolarHBondContact OD1-N 2.97Å
616	N	93	Very high	94	Very high	117 Å²	117	51.9 Å²	51.9	63%	0.626	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	26.3	175.7	-66.2	-60.7	0	0	0	112.1	K593 E612 L613 L614	K593-N616 PolarHBondContact NZ-O 2.92Å; K593-N616 VanDerWaalsContact NZ-O 3.16Å; E612-N616 PolarHBondContact O-ND2 2.78Å; L613-N616 CarbonylContact O-C 3.57Å; L613-N616 PolarHBondContact O-N 3.45Å; L614-N616 PolarHBondContact O-N 2.92Å
617	S	93.4	Very high	93.9	Very high	12 Å²	12	49.3 Å²	49.3	8%	0.084	26%	0.263	C	S	.	.	S	Bend	trans	-119.5	171.3	179.4	80.4	0	0	0	0	111.2	L614 L619 Q620	L614-S617 WeakPolarHBondContact O-CB 3.45Å; L614-S617 PolarHBondContact O-N 3.32Å; L614-S617 VanDerWaalsContact O-N 3.13Å; L614-S617 PolarHBondContact O-OG 3.17Å; S617-L619 PolarHBondContact O-N 3.39Å; S617-L619 PolarHBondContact OG-N 3.17Å; S617-Q620 WeakPolarHBondContact O-CB 3.15Å; S617-Q620 PolarHBondContact O-N 3.31Å; S617-Q620 VanDerWaalsContact O-N 3.08Å
618	T	92	Very high	93.9	Very high	34 Å²	34	48.7 Å²	48.7	21%	0.209	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.8	-15.7	176.5	57.6	0	0	0	0	113	E586 Q620 D621 K664	E586-T618 VanDerWaalsContact CD-CG2 3.45Å; E586-T618 HydrophobicContact CG-CG2 4.25Å; E586-T618 WeakPolarHBondContact OE1-CG2 3.34Å; E586-T618 PolarHBondContact OE2-OG1 2.87Å; T618-Q620 PolarHBondContact O-N 2.77Å; T618-Q620 VanDerWaalsContact O-N 3.16Å; T618-D621 WeakPolarHBondContact CA-OD2 3.37Å; T618-D621 WeakPolarHBondContact O-CB 3.1Å; T618-D621 PolarHBondContact O-N 3.45Å; T618-K664 PolarHBondContact O-NZ 3.36Å
619	L	93.6	Very high	93.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-63.7	-17.1	171.5	-63.7	179.6	0	0	0	113.4	L614 S617 D621 F628 W657 A660 K661 K664	L614-L619 HydrophobicContact CD2-CD1 4.08Å; S617-L619 PolarHBondContact O-N 3.39Å; S617-L619 PolarHBondContact OG-N 3.17Å; L619-D621 VanDerWaalsContact C-N 3.26Å; L619-F628 HydrophobicContact CB-CE2 3.76Å; L619-F628 HydrophobicContact CB-CZ 3.7Å; L619-F628 HydrophobicContact CD1-CE2 4.49Å; L619-F628 HydrophobicContact CD1-CZ 3.84Å; L619-F628 HydrophobicContact CG-CZ 4.43Å; L619-W657 HydrophobicContact CD1-CE3 3.92Å; L619-W657 HydrophobicContact CD1-CH2 4.37Å; L619-W657 HydrophobicContact CD1-CZ3 3.52Å; L619-W657 HydrophobicContact CG-CE3 4.42Å; L619-W657 HydrophobicContact CG-CH2 4Å; L619-W657 HydrophobicContact CG-CZ3 3.63Å; L619-A660 HydrophobicContact CD1-CB 3.76Å; L619-A660 HydrophobicContact CD2-CB 4.46Å; L619-K661 HydrophobicContact CD2-CG 4.39Å; L619-K664 HydrophobicContact CD2-CB 4.01Å; L619-K664 HydrophobicContact CD2-CD 3.82Å; L619-K664 HydrophobicContact CD2-CG 4.48Å
620	Q	92.6	Very high	93.8	Very high	50 Å²	50	52.4 Å²	52.4	23%	0.234	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-76.5	-13.1	174.9	-166.1	59.3	37.4	0	0	112.9	N615 S617 T618 I622 F625 G627	N615-Q620 PolarHBondContact OD1-OE1 2.91Å; S617-Q620 WeakPolarHBondContact O-CB 3.15Å; S617-Q620 PolarHBondContact O-N 3.31Å; S617-Q620 VanDerWaalsContact O-N 3.08Å; T618-Q620 PolarHBondContact O-N 2.77Å; T618-Q620 VanDerWaalsContact O-N 3.16Å; Q620-I622 PolarHBondContact O-N 2.82Å; Q620-F625 PolarHBondContact NE2-O 3.34Å; Q620-F625 VanDerWaalsContact NE2-O 3.1Å; Q620-G627 VanDerWaalsContact OE1-CA 3.27Å
621	D	91.9	Very high	93.7	Very high	110 Å²	110	56.1 Å²	56.1	59%	0.588	29%	0.286	S	S	*	.			trans	-79.1	52	-175.8	-58.1	-31.5	0	0	0	112.4	T618 L619	T618-D621 WeakPolarHBondContact CA-OD2 3.37Å; T618-D621 WeakPolarHBondContact O-CB 3.1Å; T618-D621 PolarHBondContact O-N 3.45Å; L619-D621 VanDerWaalsContact C-N 3.26Å
622	I	94	Very high	93.6	Very high	12 Å²	12	55.9 Å²	55.9	6%	0.062	28%	0.283	C	S	.	.	S	Bend	trans	-123.9	127.3	173.5	-61.7	-66.1	0	0	0	108.7	Q620 N624 F625 K664 F667 I668 F716	Q620-I622 PolarHBondContact O-N 2.82Å; I622-N624 PolarHBondContact O-N 2.92Å; I622-F625 HydrophobicContact CB-CB 4.01Å; I622-F625 HydrophobicContact CG2-CB 4.23Å; I622-F625 WeakPolarHBondContact O-CB 3.46Å; I622-F625 PolarHBondContact O-N 3.25Å; I622-K664 HydrophobicContact CD1-CD 4.46Å; I622-K664 HydrophobicContact CD1-CG 3.99Å; I622-K664 HydrophobicContact CG1-CG 4.43Å; I622-F667 HydrophobicContact CG2-CE1 4.22Å; I622-I668 HydrophobicContact CD1-CD1 3.89Å; I622-I668 HydrophobicContact CD1-CG1 3.75Å; I622-F716 HydrophobicContact CB-CD1 4.07Å; I622-F716 HydrophobicContact CB-CG 4.29Å; I622-F716 HydrophobicContact CG1-CD1 3.83Å; I622-F716 HydrophobicContact CG1-CD2 4.28Å; I622-F716 HydrophobicContact CG1-CE1 3.88Å; I622-F716 HydrophobicContact CG1-CE2 4.35Å; I622-F716 HydrophobicContact CG1-CG 4.03Å; I622-F716 HydrophobicContact CG1-CZ 4.14Å; I622-F716 HydrophobicContact CG2-CB 3.79Å; I622-F716 HydrophobicContact CG2-CD1 4.21Å; I622-F716 HydrophobicContact CG2-CG 3.97Å
623	P	90.6	Very high	93.7	Very high	59 Å²	59	50.9 Å²	50.9	38%	0.383	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	140.6	177.4	-29	37.6	0	0	0	112.4	F625 Q674 G676	P623-F625 PolarHBondContact O-N 3.04Å; P623-Q674 WeakPolarHBondContact CB-O 3.48Å; P623-Q674 WeakPolarHBondContact CG-O 3.49Å; P623-G676 VanDerWaalsContact O-CA 3.28Å; P623-G676 WeakPolarHBondContact O-CA 3.33Å
624	N	89.9	Confident	93.6	Very high	104 Å²	104	57.9 Å²	57.9	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-3.6	178.7	-58.4	-48.9	0	0	0	117.1	I622 Q626 S675 Y677	I622-N624 PolarHBondContact O-N 2.92Å; N624-Q626 PolarHBondContact O-N 3.24Å; N624-Q626 PolarHBondContact O-NE2 2.73Å; N624-Q626 VanDerWaalsContact O-NE2 3.09Å; N624-S675 PolarHBondContact ND2-O 3.46Å; N624-Y677 HydrophobicContact CB-CE2 4.21Å
625	F	94.4	Very high	93.5	Very high	21 Å²	21	58.2 Å²	58.2	9%	0.092	29%	0.288	C	S	.	.			trans	-67.8	118.8	176.7	-179.3	-136.5	0	0	0	110.8	Q620 I622 P623 G627 F628 F716 E717	Q620-F625 PolarHBondContact NE2-O 3.34Å; Q620-F625 VanDerWaalsContact NE2-O 3.1Å; I622-F625 HydrophobicContact CB-CB 4.01Å; I622-F625 HydrophobicContact CG2-CB 4.23Å; I622-F625 WeakPolarHBondContact O-CB 3.46Å; I622-F625 PolarHBondContact O-N 3.25Å; P623-F625 PolarHBondContact O-N 3.04Å; F625-G627 WeakPolarHBondContact CE2-O 3.35Å; F625-G627 PolarHBondContact O-N 3.06Å; F625-F628 AromaticContact CE1-CD2 3.8Å; F625-F628 HydrophobicContact CE1-CD2 3.8Å; F625-F628 AromaticContact CE1-CE2 3.57Å; F625-F628 HydrophobicContact CE1-CE2 3.57Å; F625-F628 HydrophobicContact CE1-CZ 4.1Å; F625-F628 HydrophobicContact CZ-CD1 4.43Å; F625-F628 AromaticContact CZ-CD2 3.87Å; F625-F628 HydrophobicContact CZ-CD2 3.87Å; F625-F628 HydrophobicContact CZ-CE1 4.45Å; F625-F628 AromaticContact CZ-CE2 3.91Å; F625-F628 HydrophobicContact CZ-CE2 3.91Å; F625-F628 HydrophobicContact CZ-CG 4.14Å; F625-F628 HydrophobicContact CZ-CZ 4.19Å; F625-F716 HydrophobicContact CB-CD1 4.4Å; F625-F716 AromaticContact CD1-CD1 3.75Å; F625-F716 HydrophobicContact CD1-CD1 3.75Å; F625-F716 HydrophobicContact CD1-CE1 4.02Å; F625-F716 AromaticContact CD2-CD1 3.97Å; F625-F716 HydrophobicContact CD2-CD1 3.97Å; F625-F716 AromaticContact CE1-CD1 3.91Å; F625-F716 HydrophobicContact CE1-CD1 3.91Å; F625-F716 AromaticContact CE1-CE1 3.86Å; F625-F716 HydrophobicContact CE1-CE1 3.86Å; F625-F716 HydrophobicContact CE2-CD1 4.13Å; F625-F716 AromaticContact CG-CD1 3.78Å; F625-F716 HydrophobicContact CG-CD1 3.78Å; F625-F716 HydrophobicContact CZ-CD1 4.09Å; F625-F716 HydrophobicContact CZ-CE1 4.22Å; F625-E717 HydrophobicContact CD2-CB 4.1Å; F625-E717 HydrophobicContact CE2-CB 3.76Å; F625-E717 HydrophobicContact CE2-CG 4.07Å
626	Q	92.6	Very high	93.5	Very high	168 Å²	168	55.6 Å²	55.6	79%	0.785	27%	0.274	S	S	*	.			trans	-76.9	-7	-177.6	-60.2	-58.3	-54.3	0	0	113.2	N624	N624-Q626 PolarHBondContact O-N 3.24Å; N624-Q626 PolarHBondContact O-NE2 2.73Å; N624-Q626 VanDerWaalsContact O-NE2 3.09Å
627	G	93.3	Very high	93.5	Very high	4 Å²	4	50.4 Å²	50.4	4%	0.041	25%	0.247	C	C	.	.			trans	102.4	170.8	-179.2	0	0	0	0	0	113.9	N615 Q620 F625 N629	N615-G627 WeakPolarHBondContact OD1-CA 2.97Å; Q620-G627 VanDerWaalsContact OE1-CA 3.27Å; F625-G627 WeakPolarHBondContact CE2-O 3.35Å; F625-G627 PolarHBondContact O-N 3.06Å; G627-N629 PolarHBondContact O-N 3.05Å
628	F	95	Very high	93.3	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.035	25%	0.248	C	C	.	.			trans	-67.7	99.8	-179.1	-67.2	-93.9	0	0	0	110.9	L614 N615 L619 F625 L632 M636 M720	L614-F628 HydrophobicContact CB-CB 4.38Å; L614-F628 HydrophobicContact CB-CD1 4.19Å; L614-F628 HydrophobicContact CB-CD2 3.52Å; L614-F628 HydrophobicContact CB-CE1 4.41Å; L614-F628 HydrophobicContact CB-CE2 3.76Å; L614-F628 HydrophobicContact CB-CG 3.76Å; L614-F628 HydrophobicContact CB-CZ 4.21Å; L614-F628 HydrophobicContact CD1-CD1 3.69Å; L614-F628 HydrophobicContact CD1-CE1 3.89Å; L614-F628 HydrophobicContact CD1-CG 4.06Å; L614-F628 HydrophobicContact CD1-CZ 4.39Å; N615-F628 PolarHBondContact ND2-O 3.11Å; N615-F628 PolarHBondContact OD1-N 2.97Å; L619-F628 HydrophobicContact CB-CE2 3.76Å; L619-F628 HydrophobicContact CB-CZ 3.7Å; L619-F628 HydrophobicContact CD1-CE2 4.49Å; L619-F628 HydrophobicContact CD1-CZ 3.84Å; L619-F628 HydrophobicContact CG-CZ 4.43Å; F625-F628 AromaticContact CE1-CD2 3.8Å; F625-F628 HydrophobicContact CE1-CD2 3.8Å; F625-F628 AromaticContact CE1-CE2 3.57Å; F625-F628 HydrophobicContact CE1-CE2 3.57Å; F625-F628 HydrophobicContact CE1-CZ 4.1Å; F625-F628 HydrophobicContact CZ-CD1 4.43Å; F625-F628 AromaticContact CZ-CD2 3.87Å; F625-F628 HydrophobicContact CZ-CD2 3.87Å; F625-F628 HydrophobicContact CZ-CE1 4.45Å; F625-F628 AromaticContact CZ-CE2 3.91Å; F625-F628 HydrophobicContact CZ-CE2 3.91Å; F625-F628 HydrophobicContact CZ-CG 4.14Å; F625-F628 HydrophobicContact CZ-CZ 4.19Å; F628-L632 HydrophobicContact CD1-CD2 3.49Å; F628-L632 VanDerWaalsContact CD1-CD2 3.49Å; F628-L632 HydrophobicContact CD1-CG 3.95Å; F628-L632 HydrophobicContact CE1-CD2 3.91Å; F628-L632 HydrophobicContact CG-CD2 4.33Å; F628-M636 HydrophobicContact CD1-SD 3.91Å; F628-M636 HydrophobicContact CE1-CE 4.3Å; F628-M636 HydrophobicContact CE1-SD 3.95Å; F628-M720 HydrophobicContact CE1-CE 4.35Å
629	N	94.2	Very high	93.3	Very high	67 Å²	67	49 Å²	49	36%	0.358	24%	0.239	S	C	.	.			trans	-72.2	173.3	177.5	85.4	19.5	0	0	0	111.7	G627 E631 L632 C633 E717	G627-N629 PolarHBondContact O-N 3.05Å; N629-E631 VanDerWaalsContact C-N 3.31Å; N629-E631 PolarHBondContact O-N 3.37Å; N629-E631 WeakPolarHBondContact OD1-CA 3.44Å; N629-E631 WeakPolarHBondContact OD1-CB 3.44Å; N629-E631 PolarHBondContact OD1-N 2.79Å; N629-L632 PolarHBondContact O-N 3.46Å; N629-L632 PolarHBondContact OD1-N 2.8Å; N629-C633 WeakPolarHBondContact O-CB 3.29Å; N629-C633 PolarHBondContact O-N 3.28Å; N629-C633 PolarHBondContact O-SG 2.9Å; N629-E717 VanDerWaalsContact CG-OE1 3.25Å; N629-E717 PolarHBondContact ND2-OE1 3.07Å
630	K	94	Very high	93.1	Very high	157 Å²	157	49.3 Å²	49.3	68%	0.683	24%	0.241	S	C	*	.	H	α-helix	trans	-62.3	-34.8	-177.6	-68.2	-179	-177.5	175.2	0	113.8	R634	K630-R634 WeakPolarHBondContact O-CB 3.43Å; K630-R634 WeakPolarHBondContact O-CD 3.34Å; K630-R634 WeakPolarHBondContact O-CG 3.26Å; K630-R634 PolarHBondContact O-N 3.17Å
631	E	93.8	Very high	92.7	Very high	78 Å²	78	47 Å²	47	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-72.7	-45.3	-178.4	178.3	64	-177.6	0	0	111.3	N629 R634 S635 R725	N629-E631 VanDerWaalsContact C-N 3.31Å; N629-E631 PolarHBondContact O-N 3.37Å; N629-E631 WeakPolarHBondContact OD1-CA 3.44Å; N629-E631 WeakPolarHBondContact OD1-CB 3.44Å; N629-E631 PolarHBondContact OD1-N 2.79Å; E631-R634 PolarHBondContact O-N 2.97Å; E631-S635 WeakPolarHBondContact O-CB 3.41Å; E631-S635 PolarHBondContact O-N 3.41Å; E631-S635 PolarHBondContact O-OG 3.44Å; E631-R725 IonicContact OE1-CZ 3.46Å; E631-R725 IonicContact OE1-NH2 2.71Å; E631-R725 PolarHBondContact OE1-NH2 3.24Å
632	L	95.1	Very high	92	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-47	174.7	-179.9	54.8	0	0	0	110.6	F628 N629 R634 S635 M636 E717 M720 L721	F628-L632 HydrophobicContact CD1-CD2 3.49Å; F628-L632 VanDerWaalsContact CD1-CD2 3.49Å; F628-L632 HydrophobicContact CD1-CG 3.95Å; F628-L632 HydrophobicContact CE1-CD2 3.91Å; F628-L632 HydrophobicContact CG-CD2 4.33Å; N629-L632 PolarHBondContact O-N 3.46Å; N629-L632 PolarHBondContact OD1-N 2.8Å; L632-R634 VanDerWaalsContact C-N 3.34Å; L632-R634 PolarHBondContact O-N 2.88Å; L632-S635 PolarHBondContact O-N 2.83Å; L632-M636 HydrophobicContact CD1-CG 4.25Å; L632-M636 HydrophobicContact CD1-SD 4.32Å; L632-M636 HydrophobicContact CG-SD 4.2Å; L632-M636 WeakPolarHBondContact O-CB 3.28Å; L632-M636 VanDerWaalsContact O-CG 3.3Å; L632-M636 WeakPolarHBondContact O-CG 3.39Å; L632-M636 PolarHBondContact O-N 3.34Å; L632-E717 HydrophobicContact CD2-CG 4.33Å; L632-M720 HydrophobicContact CD1-CB 4.23Å; L632-M720 HydrophobicContact CD2-CB 4.26Å; L632-L721 HydrophobicContact CD1-CB 3.96Å; L632-L721 HydrophobicContact CD1-CD1 4.01Å
633	C	96.1	Very high	91.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-40.6	176.6	-63.8	0	0	0	0	112.6	A607 G611 N629 M636 V637	A607-C633 HydrophobicContact CB-CB 4.13Å; A607-C633 VanDerWaalsContact O-CB 3.25Å; A607-C633 WeakPolarHBondContact O-CB 3.49Å; G611-C633 WeakPolarHBondContact CA-SG 3.2Å; N629-C633 WeakPolarHBondContact O-CB 3.29Å; N629-C633 PolarHBondContact O-N 3.28Å; N629-C633 PolarHBondContact O-SG 2.9Å; C633-M636 PolarHBondContact O-N 3.34Å; C633-V637 WeakPolarHBondContact O-CG2 3.38Å; C633-V637 PolarHBondContact O-N 3.46Å
634	R	94.1	Very high	90.9	Very high	155 Å²	155	53.8 Å²	53.8	59%	0.585	26%	0.263	S	S	*	.	H	α-helix	trans	-65.2	-42.4	177.1	-78.4	168.5	180	-170.9	-2.6	112.1	A607 K630 E631 L632 M636 V637 A638	A607-R634 HydrophobicContact CB-CG 3.91Å; K630-R634 WeakPolarHBondContact O-CB 3.43Å; K630-R634 WeakPolarHBondContact O-CD 3.34Å; K630-R634 WeakPolarHBondContact O-CG 3.26Å; K630-R634 PolarHBondContact O-N 3.17Å; E631-R634 PolarHBondContact O-N 2.97Å; L632-R634 VanDerWaalsContact C-N 3.34Å; L632-R634 PolarHBondContact O-N 2.88Å; R634-M636 VanDerWaalsContact C-N 3.3Å; R634-V637 PolarHBondContact O-N 2.81Å; R634-A638 WeakPolarHBondContact O-CB 3.38Å; R634-A638 PolarHBondContact O-N 2.81Å
635	S	94.1	Very high	90.8	Very high	8 Å²	8	52.1 Å²	52.1	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-38.7	176.9	-55.6	0	0	0	0	110.8	E631 L632 A638 S639 L721 V724	E631-S635 WeakPolarHBondContact O-CB 3.41Å; E631-S635 PolarHBondContact O-N 3.41Å; E631-S635 PolarHBondContact O-OG 3.44Å; L632-S635 PolarHBondContact O-N 2.83Å; S635-A638 PolarHBondContact O-N 2.86Å; S635-S639 PolarHBondContact O-N 3.45Å; S635-L721 WeakPolarHBondContact OG-CD1 3.4Å; S635-V724 WeakPolarHBondContact O-CG1 3.47Å
636	M	95.2	Very high	90.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-47.3	175	-81.2	-177.5	101.5	0	0	111.9	L610 L614 F628 L632 C633 R634 A638 S639 L656 A660 M720 V724	L610-M636 HydrophobicContact CD2-CB 3.85Å; L614-M636 HydrophobicContact CD1-CE 3.72Å; L614-M636 HydrophobicContact CD1-SD 3.57Å; L614-M636 VanDerWaalsContact CD1-SD 3.57Å; F628-M636 HydrophobicContact CD1-SD 3.91Å; F628-M636 HydrophobicContact CE1-CE 4.3Å; F628-M636 HydrophobicContact CE1-SD 3.95Å; L632-M636 HydrophobicContact CD1-CG 4.25Å; L632-M636 HydrophobicContact CD1-SD 4.32Å; L632-M636 HydrophobicContact CG-SD 4.2Å; L632-M636 WeakPolarHBondContact O-CB 3.28Å; L632-M636 VanDerWaalsContact O-CG 3.3Å; L632-M636 WeakPolarHBondContact O-CG 3.39Å; L632-M636 PolarHBondContact O-N 3.34Å; C633-M636 PolarHBondContact O-N 3.34Å; R634-M636 VanDerWaalsContact C-N 3.3Å; M636-A638 PolarHBondContact O-N 3.03Å; M636-S639 PolarHBondContact O-N 3.07Å; M636-S639 PolarHBondContact O-OG 2.84Å; M636-L656 HydrophobicContact CB-CD2 3.95Å; M636-L656 HydrophobicContact CE-CD1 4.05Å; M636-L656 HydrophobicContact CE-CD2 4Å; M636-L656 HydrophobicContact CE-CG 3.97Å; M636-L656 HydrophobicContact CG-CD2 4.43Å; M636-A660 HydrophobicContact CE-CB 4.24Å; M636-M720 HydrophobicContact CE-CE 4.3Å; M636-V724 HydrophobicContact CG-CG1 4.16Å; M636-V724 HydrophobicContact CG-CG2 3.65Å
637	V	93.3	Very high	90.5	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-50.2	172.1	172.6	0	0	0	0	110.4	A607 L610 C633 R634 S639 V640 D641 V648	A607-V637 HydrophobicContact CB-CG2 3.84Å; L610-V637 HydrophobicContact CD2-CG2 3.78Å; C633-V637 WeakPolarHBondContact O-CG2 3.38Å; C633-V637 PolarHBondContact O-N 3.46Å; R634-V637 PolarHBondContact O-N 2.81Å; V637-S639 PolarHBondContact O-N 3.48Å; V637-S639 VanDerWaalsContact O-N 3.14Å; V637-V640 PolarHBondContact O-N 3.48Å; V637-V640 VanDerWaalsContact O-N 3.11Å; V637-D641 HydrophobicContact CG1-CB 4.05Å; V637-D641 WeakPolarHBondContact O-CB 3.33Å; V637-D641 PolarHBondContact O-N 2.68Å; V637-V648 HydrophobicContact CB-CG2 3.98Å; V637-V648 HydrophobicContact CG1-CG2 3.86Å; V637-V648 HydrophobicContact CG2-CG2 3.7Å
638	A	90	Very high	90.5	Very high	13 Å²	13	47.5 Å²	47.5	11%	0.107	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-26.3	-179.5	0	0	0	0	0	113.8	R634 S635 M636 V640 Y757	R634-A638 WeakPolarHBondContact O-CB 3.38Å; R634-A638 PolarHBondContact O-N 2.81Å; S635-A638 PolarHBondContact O-N 2.86Å; M636-A638 PolarHBondContact O-N 3.03Å; A638-V640 VanDerWaalsContact C-N 3.28Å; A638-V640 PolarHBondContact O-N 2.7Å; A638-Y757 HydrophobicContact CB-CD1 3.9Å; A638-Y757 HydrophobicContact CB-CE1 3.55Å; A638-Y757 HydrophobicContact CB-CE2 4.41Å; A638-Y757 HydrophobicContact CB-CG 4.48Å; A638-Y757 WeakPolarHBondContact CB-O 3.22Å; A638-Y757 VanDerWaalsContact O-CE1 3.28Å; A638-Y757 WeakPolarHBondContact O-CE1 3.4Å
639	S	91.2	Very high	90.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.014	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.1	179.1	76.8	0	0	0	0	115.4	S635 M636 V637 K727 T728	S635-S639 PolarHBondContact O-N 3.45Å; M636-S639 PolarHBondContact O-N 3.07Å; M636-S639 PolarHBondContact O-OG 2.84Å; V637-S639 PolarHBondContact O-N 3.48Å; V637-S639 VanDerWaalsContact O-N 3.14Å; S639-K727 PolarHBondContact O-NZ 2.99Å; S639-T728 VanDerWaalsContact CA-OG1 3.24Å; S639-T728 WeakPolarHBondContact CA-OG1 3.21Å; S639-T728 WeakPolarHBondContact CB-OG1 3.29Å
640	V	89.3	Confident	90.4	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-20.7	179	-63.6	0	0	0	0	113.6	V637 A638 N642 V648 E652 L656	V637-V640 PolarHBondContact O-N 3.48Å; V637-V640 VanDerWaalsContact O-N 3.11Å; A638-V640 VanDerWaalsContact C-N 3.28Å; A638-V640 PolarHBondContact O-N 2.7Å; V640-N642 PolarHBondContact O-N 3.33Å; V640-N642 PolarHBondContact O-ND2 3.36Å; V640-V648 HydrophobicContact CG2-CB 4.39Å; V640-V648 HydrophobicContact CG2-CG1 3.76Å; V640-V648 HydrophobicContact CG2-CG2 3.78Å; V640-E652 HydrophobicContact CB-CB 4.05Å; V640-E652 HydrophobicContact CG2-CB 4.11Å; V640-L656 HydrophobicContact CG1-CB 3.98Å
641	D	84.5	Confident	90.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	25%	0.246	C	C	.	.			trans	-73.4	61.5	178.8	-179.1	37.5	0	0	0	112.4	V637 N643 L644 T645 G646 Y757	V637-D641 HydrophobicContact CG1-CB 4.05Å; V637-D641 WeakPolarHBondContact O-CB 3.33Å; V637-D641 PolarHBondContact O-N 2.68Å; D641-N643 PolarHBondContact O-N 3.11Å; D641-N643 VanDerWaalsContact O-N 3.1Å; D641-N643 PolarHBondContact OD1-OD1 2.56Å; D641-L644 PolarHBondContact O-N 2.99Å; D641-L644 PolarHBondContact OD1-N 3.29Å; D641-L644 WeakPolarHBondContact OD2-CA 3.21Å; D641-T645 PolarHBondContact OD1-N 3.1Å; D641-T645 PolarHBondContact OD1-OG1 3.24Å; D641-T645 PolarHBondContact OD2-N 3.36Å; D641-G646 PolarHBondContact OD1-N 2.98Å; D641-G646 VanDerWaalsContact OD2-CA 3.27Å; D641-G646 WeakPolarHBondContact OD2-CA 3.33Å; D641-G646 PolarHBondContact OD2-N 3.03Å; D641-Y757 WeakPolarHBondContact CB-OH 3.27Å; D641-Y757 VanDerWaalsContact CG-OH 3.32Å; D641-Y757 PolarHBondContact O-OH 3.36Å; D641-Y757 PolarHBondContact OD2-OH 3.18Å
642	N	77.1	Confident	90.3	Very high	138 Å²	138	44.5 Å²	44.5	74%	0.738	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.9	-178.5	-71.3	-57.9	0	0	0	113.3	V640	V640-N642 PolarHBondContact O-N 3.33Å; V640-N642 PolarHBondContact O-ND2 3.36Å
643	N	79.4	Confident	90.3	Very high	83 Å²	83	44.5 Å²	44.5	44%	0.444	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.1	179.2	61.8	11.9	0	0	0	113.3	D641 T645	D641-N643 PolarHBondContact O-N 3.11Å; D641-N643 VanDerWaalsContact O-N 3.1Å; D641-N643 PolarHBondContact OD1-OD1 2.56Å; N643-T645 VanDerWaalsContact C-N 3.28Å; N643-T645 HydrophobicContact CB-CG2 4.3Å; N643-T645 VanDerWaalsContact CG-CG2 3.41Å; N643-T645 PolarHBondContact O-N 3.18Å; N643-T645 WeakPolarHBondContact OD1-CG2 3.4Å; N643-T645 PolarHBondContact OD1-N 2.75Å; N643-T645 PolarHBondContact OD1-OG1 3.26Å
644	L	82.3	Confident	90.2	Very high	101 Å²	101	45.8 Å²	45.8	53%	0.529	24%	0.241	S	C	.	.			trans	56.8	35.5	176.3	-53.8	177.8	0	0	0	113.9	D641 G646 Y757	D641-L644 PolarHBondContact O-N 2.99Å; D641-L644 PolarHBondContact OD1-N 3.29Å; D641-L644 WeakPolarHBondContact OD2-CA 3.21Å; L644-G646 VanDerWaalsContact C-N 3.34Å; L644-Y757 HydrophobicContact CD2-CD1 4.18Å; L644-Y757 HydrophobicContact CD2-CD2 4.07Å; L644-Y757 HydrophobicContact CD2-CE1 3.63Å; L644-Y757 HydrophobicContact CD2-CE2 3.53Å; L644-Y757 HydrophobicContact CD2-CG 4.37Å
645	T	87.2	Confident	90.1	Very high	70 Å²	70	43 Å²	43	43%	0.429	24%	0.238	S	C	.	.			trans	-79.1	-17.3	177.8	63.4	0	0	0	0	113.3	D641 N643 H647	D641-T645 PolarHBondContact OD1-N 3.1Å; D641-T645 PolarHBondContact OD1-OG1 3.24Å; D641-T645 PolarHBondContact OD2-N 3.36Å; N643-T645 VanDerWaalsContact C-N 3.28Å; N643-T645 HydrophobicContact CB-CG2 4.3Å; N643-T645 VanDerWaalsContact CG-CG2 3.41Å; N643-T645 PolarHBondContact O-N 3.18Å; N643-T645 WeakPolarHBondContact OD1-CG2 3.4Å; N643-T645 PolarHBondContact OD1-N 2.75Å; N643-T645 PolarHBondContact OD1-OG1 3.26Å; T645-H647 PolarHBondContact O-ND1 2.8Å; T645-H647 PolarHBondContact OG1-N 2.88Å; T645-H647 PolarHBondContact OG1-O 3.34Å
646	G	87.8	Confident	90.1	Very high	37 Å²	37	42.8 Å²	42.8	38%	0.381	24%	0.235	S	C	.	.	S	Bend	trans	72.5	14.3	-169.5	0	0	0	0	0	113.7	D641 L644	D641-G646 PolarHBondContact OD1-N 2.98Å; D641-G646 VanDerWaalsContact OD2-CA 3.27Å; D641-G646 WeakPolarHBondContact OD2-CA 3.33Å; D641-G646 PolarHBondContact OD2-N 3.03Å; L644-G646 VanDerWaalsContact C-N 3.34Å
647	H	92.5	Very high	90.1	Very high	59 Å²	59	42.9 Å²	42.9	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	163.2	-177.5	-60.3	79.9	0	0	0	110.7	A604 I605 T645	A604-H647 HydrophobicContact CB-CB 3.7Å; I605-H647 CarbonylContact O-C 3.56Å; I605-H647 WeakPolarHBondContact O-CA 3.46Å; T645-H647 PolarHBondContact O-ND1 2.8Å; T645-H647 PolarHBondContact OG1-N 2.88Å; T645-H647 PolarHBondContact OG1-O 3.34Å
648	V	93.3	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	179.2	-176.6	0	0	0	0	108.7	F594 A604 I605 V637 V640 E652 F653	F594-V648 WeakPolarHBondContact CZ-O 3.3Å; A604-V648 VanDerWaalsContact CA-O 3.25Å; A604-V648 WeakPolarHBondContact CA-O 3.34Å; A604-V648 VanDerWaalsContact CB-O 3.29Å; A604-V648 WeakPolarHBondContact CB-O 3.37Å; I605-V648 HydrophobicContact CG1-CB 4.25Å; I605-V648 PolarHBondContact N-O 3.35Å; I605-V648 PolarHBondContact O-N 2.89Å; V637-V648 HydrophobicContact CB-CG2 3.98Å; V637-V648 HydrophobicContact CG1-CG2 3.86Å; V637-V648 HydrophobicContact CG2-CG2 3.7Å; V640-V648 HydrophobicContact CG2-CB 4.39Å; V640-V648 HydrophobicContact CG2-CG1 3.76Å; V640-V648 HydrophobicContact CG2-CG2 3.78Å; V648-E652 WeakPolarHBondContact CA-OE2 2.97Å; V648-E652 HydrophobicContact CG1-CB 3.75Å; V648-F653 HydrophobicContact CG1-CB 3.79Å
649	E	94.1	Very high	90.3	Very high	85 Å²	85	47.5 Å²	47.5	40%	0.397	26%	0.256	S	S	.	.			trans	-78.9	166	172.3	-64.5	-176	-174.2	0	0	111.2	A604 N651 E652 F653	A604-E649 HydrophobicContact CB-CG 4.29Å; E649-N651 WeakPolarHBondContact CB-OD1 3.46Å; E649-N651 PolarHBondContact O-N 2.81Å; E649-E652 HydrophobicContact CB-CG 4.4Å; E649-E652 PolarHBondContact N-OE2 3.26Å; E649-E652 PolarHBondContact O-N 2.66Å; E649-F653 WeakPolarHBondContact O-CB 3.18Å; E649-F653 PolarHBondContact O-N 3.33Å
650	L	94	Very high	90.5	Very high	40 Å²	40	47.4 Å²	47.4	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-44.4	-171.8	177.1	65.9	0	0	0	113	E591 F594 L595 F653 M654	E591-L650 HydrophobicContact CG-CD1 3.95Å; E591-L650 HydrophobicContact CG-CD2 4.07Å; F594-L650 HydrophobicContact CB-CD1 4.01Å; F594-L650 HydrophobicContact CD1-CB 4.09Å; F594-L650 HydrophobicContact CD1-CD1 3.45Å; F594-L650 VanDerWaalsContact CD1-CD1 3.45Å; F594-L650 HydrophobicContact CD1-CG 4.33Å; F594-L650 HydrophobicContact CD2-CD1 4.33Å; F594-L650 HydrophobicContact CE1-CB 3.74Å; F594-L650 HydrophobicContact CE1-CD1 3.98Å; F594-L650 HydrophobicContact CE1-CG 4.46Å; F594-L650 HydrophobicContact CG-CD1 3.68Å; F594-L650 HydrophobicContact CZ-CB 4.24Å; L595-L650 HydrophobicContact CD2-CD2 3.98Å; L650-F653 HydrophobicContact CD1-CD1 4.47Å; L650-F653 WeakPolarHBondContact O-CB 3.44Å; L650-F653 PolarHBondContact O-N 3.33Å; L650-M654 HydrophobicContact CD1-CG 4.24Å; L650-M654 HydrophobicContact CD1-SD 4.47Å; L650-M654 HydrophobicContact CG-CG 4.44Å; L650-M654 WeakPolarHBondContact O-CG 3.31Å; L650-M654 PolarHBondContact O-N 3.47Å
651	N	92.5	Very high	90.8	Very high	94 Å²	94	47.6 Å²	47.6	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177.4	57.5	-33.7	0	0	0	111.7	E649 F653 M654 D655	E649-N651 WeakPolarHBondContact CB-OD1 3.46Å; E649-N651 PolarHBondContact O-N 2.81Å; N651-F653 VanDerWaalsContact C-N 3.26Å; N651-F653 PolarHBondContact O-N 2.73Å; N651-M654 PolarHBondContact O-N 3.1Å; N651-D655 PolarHBondContact O-N 2.65Å
652	E	93.2	Very high	91.3	Very high	27 Å²	27	47.5 Å²	47.5	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-39.9	175.5	-66.6	173.3	161.4	0	0	111.4	V640 V648 E649 L656	V640-E652 HydrophobicContact CB-CB 4.05Å; V640-E652 HydrophobicContact CG2-CB 4.11Å; V648-E652 WeakPolarHBondContact CA-OE2 2.97Å; V648-E652 HydrophobicContact CG1-CB 3.75Å; E649-E652 HydrophobicContact CB-CG 4.4Å; E649-E652 PolarHBondContact N-OE2 3.26Å; E649-E652 PolarHBondContact O-N 2.66Å; E652-L656 WeakPolarHBondContact O-CB 3.38Å; E652-L656 PolarHBondContact O-N 2.94Å; E652-L656 VanDerWaalsContact O-N 3.12Å
653	F	95.2	Very high	92.3	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-44.5	174.9	171.8	-104.6	0	0	0	112.3	I590 F594 L610 L613 L614 V648 E649 L650 N651 D655 L656 W657	I590-F653 HydrophobicContact CG1-CE1 3.85Å; I590-F653 HydrophobicContact CG1-CZ 3.64Å; I590-F653 HydrophobicContact CG2-CE1 4.13Å; F594-F653 HydrophobicContact CB-CD1 4.29Å; F594-F653 HydrophobicContact CB-CE1 4.34Å; F594-F653 HydrophobicContact CD2-CB 3.83Å; F594-F653 AromaticContact CD2-CD1 3.51Å; F594-F653 HydrophobicContact CD2-CD1 3.51Å; F594-F653 HydrophobicContact CD2-CD2 4.18Å; F594-F653 HydrophobicContact CD2-CE1 4.14Å; F594-F653 AromaticContact CD2-CG 3.54Å; F594-F653 HydrophobicContact CD2-CG 3.54Å; F594-F653 HydrophobicContact CE2-CB 3.53Å; F594-F653 HydrophobicContact CE2-CD1 4.15Å; F594-F653 HydrophobicContact CE2-CD2 4.41Å; F594-F653 AromaticContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CE2-CG 3.76Å; F594-F653 HydrophobicContact CG-CD1 4.15Å; F594-F653 HydrophobicContact CZ-CB 4.41Å; L610-F653 HydrophobicContact CD1-CD2 3.75Å; L610-F653 HydrophobicContact CD1-CE2 3.74Å; L613-F653 HydrophobicContact CD2-CD2 4.27Å; L613-F653 HydrophobicContact CD2-CE1 3.85Å; L613-F653 HydrophobicContact CD2-CE2 3.58Å; L613-F653 HydrophobicContact CD2-CZ 3.34Å; L613-F653 HydrophobicContact CG-CE2 4.46Å; L613-F653 HydrophobicContact CG-CZ 4.12Å; L614-F653 HydrophobicContact CD2-CE2 4.03Å; L614-F653 HydrophobicContact CD2-CZ 4.48Å; V648-F653 HydrophobicContact CG1-CB 3.79Å; E649-F653 WeakPolarHBondContact O-CB 3.18Å; E649-F653 PolarHBondContact O-N 3.33Å; L650-F653 HydrophobicContact CD1-CD1 4.47Å; L650-F653 WeakPolarHBondContact O-CB 3.44Å; L650-F653 PolarHBondContact O-N 3.33Å; N651-F653 VanDerWaalsContact C-N 3.26Å; N651-F653 PolarHBondContact O-N 2.73Å; F653-D655 VanDerWaalsContact C-N 3.33Å; F653-D655 PolarHBondContact O-N 2.81Å; F653-L656 PolarHBondContact O-N 2.81Å; F653-W657 HydrophobicContact CE1-CB 4.45Å; F653-W657 HydrophobicContact CZ-CB 4.33Å; F653-W657 HydrophobicContact CZ-CE3 4.27Å; F653-W657 VanDerWaalsContact O-CB 3.24Å; F653-W657 WeakPolarHBondContact O-CB 3.32Å; F653-W657 PolarHBondContact O-N 2.98Å
654	M	94.5	Very high	93	Very high	30 Å²	30	38.3 Å²	38.3	15%	0.148	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-37.7	-179.9	-67.4	-51.3	-68.8	0	0	111.8	D587 I590 E591 L650 N651 W657 I658	D587-M654 HydrophobicContact CB-CE 3.97Å; I590-M654 HydrophobicContact CG2-CE 4.36Å; I590-M654 HydrophobicContact CG2-SD 4.29Å; E591-M654 HydrophobicContact CB-SD 4.32Å; L650-M654 HydrophobicContact CD1-CG 4.24Å; L650-M654 HydrophobicContact CD1-SD 4.47Å; L650-M654 HydrophobicContact CG-CG 4.44Å; L650-M654 WeakPolarHBondContact O-CG 3.31Å; L650-M654 PolarHBondContact O-N 3.47Å; N651-M654 PolarHBondContact O-N 3.1Å; M654-W657 PolarHBondContact O-N 2.94Å; M654-I658 WeakPolarHBondContact O-CG1 3.49Å; M654-I658 PolarHBondContact O-N 3.04Å
655	D	91.7	Very high	93.6	Very high	97 Å²	97	37.1 Å²	37.1	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-45.5	173.9	-72.5	-17.1	0	0	0	111.3	N651 F653 W657 Q659	N651-D655 PolarHBondContact O-N 2.65Å; F653-D655 VanDerWaalsContact C-N 3.33Å; F653-D655 PolarHBondContact O-N 2.81Å; D655-W657 VanDerWaalsContact C-N 3.34Å; D655-Q659 WeakPolarHBondContact O-CG 3.32Å; D655-Q659 PolarHBondContact O-N 2.95Å
656	L	94.1	Very high	94.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-38.5	175.7	179.3	63	0	0	0	112.3	M636 V640 E652 F653 Q659 A660	M636-L656 HydrophobicContact CB-CD2 3.95Å; M636-L656 HydrophobicContact CE-CD1 4.05Å; M636-L656 HydrophobicContact CE-CD2 4Å; M636-L656 HydrophobicContact CE-CG 3.97Å; M636-L656 HydrophobicContact CG-CD2 4.43Å; V640-L656 HydrophobicContact CG1-CB 3.98Å; E652-L656 WeakPolarHBondContact O-CB 3.38Å; E652-L656 PolarHBondContact O-N 2.94Å; E652-L656 VanDerWaalsContact O-N 3.12Å; F653-L656 PolarHBondContact O-N 2.81Å; L656-Q659 PolarHBondContact O-N 3.01Å; L656-A660 VanDerWaalsContact O-CB 3.3Å; L656-A660 WeakPolarHBondContact O-CB 3.13Å; L656-A660 PolarHBondContact O-N 2.98Å
657	W	94.8	Very high	94.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-47.9	179.5	172.2	-106.8	0	0	0	111.4	D587 I590 L614 L619 F653 M654 D655 Q659 A660 K661	D587-W657 VanDerWaalsContact OD1-CD1 3.31Å; D587-W657 PolarHBondContact OD1-NE1 2.73Å; I590-W657 HydrophobicContact CB-CZ2 4.43Å; I590-W657 HydrophobicContact CD1-CH2 4.49Å; I590-W657 HydrophobicContact CD1-CZ3 4.4Å; I590-W657 HydrophobicContact CG1-CD2 4.38Å; I590-W657 HydrophobicContact CG1-CE3 4.24Å; I590-W657 HydrophobicContact CG1-CH2 4.39Å; I590-W657 HydrophobicContact CG1-CZ2 4.49Å; I590-W657 HydrophobicContact CG1-CZ3 4.24Å; I590-W657 HydrophobicContact CG2-CD2 4.09Å; I590-W657 HydrophobicContact CG2-CG 4.26Å; I590-W657 HydrophobicContact CG2-CZ2 4.3Å; L614-W657 HydrophobicContact CD2-CE3 4.09Å; L614-W657 HydrophobicContact CD2-CZ3 4.14Å; L619-W657 HydrophobicContact CD1-CE3 3.92Å; L619-W657 HydrophobicContact CD1-CH2 4.37Å; L619-W657 HydrophobicContact CD1-CZ3 3.52Å; L619-W657 HydrophobicContact CG-CE3 4.42Å; L619-W657 HydrophobicContact CG-CH2 4Å; L619-W657 HydrophobicContact CG-CZ3 3.63Å; F653-W657 HydrophobicContact CE1-CB 4.45Å; F653-W657 HydrophobicContact CZ-CB 4.33Å; F653-W657 HydrophobicContact CZ-CE3 4.27Å; F653-W657 VanDerWaalsContact O-CB 3.24Å; F653-W657 WeakPolarHBondContact O-CB 3.32Å; F653-W657 PolarHBondContact O-N 2.98Å; M654-W657 PolarHBondContact O-N 2.94Å; D655-W657 VanDerWaalsContact C-N 3.34Å; W657-Q659 VanDerWaalsContact C-N 3.31Å; W657-Q659 PolarHBondContact O-N 3.1Å; W657-A660 PolarHBondContact O-N 3.13Å; W657-K661 HydrophobicContact CD2-CG 4.41Å; W657-K661 HydrophobicContact CZ2-CD 3.91Å; W657-K661 HydrophobicContact CZ2-CG 4.1Å; W657-K661 WeakPolarHBondContact O-CG 3.37Å; W657-K661 PolarHBondContact O-N 3.42Å
658	I	92.9	Very high	94.6	Very high	71 Å²	71	33.3 Å²	33.3	36%	0.364	17%	0.166	S	C	.	.	H	α-helix	trans	-60.2	-43.2	177	-67	165.5	0	0	0	110.7	M654 K661 G662	M654-I658 WeakPolarHBondContact O-CG1 3.49Å; M654-I658 PolarHBondContact O-N 3.04Å; I658-K661 PolarHBondContact O-N 3.28Å; I658-G662 PolarHBondContact O-N 3.47Å; I658-G662 VanDerWaalsContact O-N 3.08Å
659	Q	94.1	Very high	94.6	Very high	46 Å²	46	39 Å²	39	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-44.1	177.4	-68.6	-179.6	37.9	0	0	112.2	D655 L656 W657 K661 G662 W663	D655-Q659 WeakPolarHBondContact O-CG 3.32Å; D655-Q659 PolarHBondContact O-N 2.95Å; L656-Q659 PolarHBondContact O-N 3.01Å; W657-Q659 VanDerWaalsContact C-N 3.31Å; W657-Q659 PolarHBondContact O-N 3.1Å; Q659-K661 VanDerWaalsContact C-N 3.34Å; Q659-K661 PolarHBondContact O-N 2.99Å; Q659-G662 PolarHBondContact O-N 3.47Å; Q659-G662 VanDerWaalsContact O-N 3.13Å; Q659-W663 HydrophobicContact CB-CH2 4Å; Q659-W663 HydrophobicContact CB-CZ2 3.89Å; Q659-W663 HydrophobicContact CB-CZ3 4.4Å; Q659-W663 VanDerWaalsContact O-CD2 3.31Å; Q659-W663 VanDerWaalsContact O-CG 3.27Å; Q659-W663 PolarHBondContact O-N 3.37Å
660	A	95.9	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-39.6	177.3	0	0	0	0	0	112.5	L619 M636 L656 W657 W663 K664 M720	L619-A660 HydrophobicContact CD1-CB 3.76Å; L619-A660 HydrophobicContact CD2-CB 4.46Å; M636-A660 HydrophobicContact CE-CB 4.24Å; L656-A660 VanDerWaalsContact O-CB 3.3Å; L656-A660 WeakPolarHBondContact O-CB 3.13Å; L656-A660 PolarHBondContact O-N 2.98Å; W657-A660 PolarHBondContact O-N 3.13Å; A660-W663 PolarHBondContact O-N 3.07Å; A660-K664 PolarHBondContact O-N 2.83Å; A660-M720 HydrophobicContact CB-CE 3.72Å
661	K	95.5	Very high	94.7	Very high	13 Å²	13	34.2 Å²	34.2	6%	0.057	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-44.1	172.1	-70.7	-165.9	-62.6	-179.9	0	111.5	L577 D587 L619 W657 I658 Q659 W663 K664 H665	L577-K661 HydrophobicContact CD1-CB 4.29Å; L577-K661 HydrophobicContact CD2-CB 3.73Å; D587-K661 WeakPolarHBondContact OD1-CE 3.5Å; D587-K661 IonicContact OD1-NZ 2.8Å; D587-K661 PolarHBondContact OD1-NZ 2.87Å; D587-K661 IonicContact OD2-NZ 3.49Å; D587-K661 PolarHBondContact OD2-NZ 3.38Å; L619-K661 HydrophobicContact CD2-CG 4.39Å; W657-K661 HydrophobicContact CD2-CG 4.41Å; W657-K661 HydrophobicContact CZ2-CD 3.91Å; W657-K661 HydrophobicContact CZ2-CG 4.1Å; W657-K661 WeakPolarHBondContact O-CG 3.37Å; W657-K661 PolarHBondContact O-N 3.42Å; I658-K661 PolarHBondContact O-N 3.28Å; Q659-K661 VanDerWaalsContact C-N 3.34Å; Q659-K661 PolarHBondContact O-N 2.99Å; K661-W663 PolarHBondContact O-N 3.24Å; K661-K664 WeakPolarHBondContact O-CB 3.44Å; K661-K664 PolarHBondContact O-N 2.79Å; K661-H665 PolarHBondContact O-N 3.11Å
662	G	96	Very high	94.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-44.5	176.4	0	0	0	0	0	113	I658 Q659 K664 H665 I666	I658-G662 PolarHBondContact O-N 3.47Å; I658-G662 VanDerWaalsContact O-N 3.08Å; Q659-G662 PolarHBondContact O-N 3.47Å; Q659-G662 VanDerWaalsContact O-N 3.13Å; G662-K664 PolarHBondContact O-N 3.11Å; G662-H665 WeakPolarHBondContact O-CB 3.31Å; G662-H665 PolarHBondContact O-N 2.94Å; G662-I666 WeakPolarHBondContact O-CD1 3.44Å; G662-I666 WeakPolarHBondContact O-CG1 3.49Å; G662-I666 PolarHBondContact O-N 2.84Å
663	W	96.8	Very high	94.5	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-39.4	175.3	-59.3	-29.3	0	0	0	112.2	Q659 A660 K661 H665 I666 F667 F719 M720 M723 V724 K727	Q659-W663 HydrophobicContact CB-CH2 4Å; Q659-W663 HydrophobicContact CB-CZ2 3.89Å; Q659-W663 HydrophobicContact CB-CZ3 4.4Å; Q659-W663 VanDerWaalsContact O-CD2 3.31Å; Q659-W663 VanDerWaalsContact O-CG 3.27Å; Q659-W663 PolarHBondContact O-N 3.37Å; A660-W663 PolarHBondContact O-N 3.07Å; K661-W663 PolarHBondContact O-N 3.24Å; W663-H665 PolarHBondContact O-N 3.16Å; W663-I666 PolarHBondContact O-N 3.19Å; W663-F667 WeakPolarHBondContact O-CB 3.42Å; W663-F667 PolarHBondContact O-N 2.68Å; W663-F719 HydrophobicContact CB-CE1 3.96Å; W663-F719 WeakPolarHBondContact O-CE1 3.43Å; W663-M720 HydrophobicContact CB-SD 3.77Å; W663-M720 HydrophobicContact CE3-CE 3.89Å; W663-M720 HydrophobicContact CE3-SD 3.99Å; W663-M720 HydrophobicContact CZ3-CE 4.5Å; W663-M723 HydrophobicContact CB-CG 4.17Å; W663-M723 HydrophobicContact CD2-CB 3.42Å; W663-M723 VanDerWaalsContact CD2-CB 3.42Å; W663-M723 HydrophobicContact CD2-CG 3.78Å; W663-M723 HydrophobicContact CE3-CB 3.64Å; W663-M723 HydrophobicContact CE3-CG 4.33Å; W663-M723 HydrophobicContact CG-CB 3.91Å; W663-M723 HydrophobicContact CG-CG 3.67Å; W663-M723 HydrophobicContact CH2-CB 4.1Å; W663-M723 HydrophobicContact CZ2-CB 3.9Å; W663-M723 HydrophobicContact CZ3-CB 3.98Å; W663-V724 HydrophobicContact CE3-CG2 4.49Å; W663-V724 HydrophobicContact CH2-CG2 4.18Å; W663-V724 HydrophobicContact CZ3-CG2 3.59Å; W663-K727 HydrophobicContact CH2-CB 4.47Å; W663-K727 HydrophobicContact CH2-CD 4.2Å; W663-K727 HydrophobicContact CZ2-CB 4.46Å
664	K	95.9	Very high	94.3	Very high	25 Å²	25	46.6 Å²	46.6	11%	0.109	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-46.4	171.4	-178	-171.5	168.9	-167.2	0	111.8	T618 L619 I622 A660 K661 G662 I666 F667 I668 F716	T618-K664 PolarHBondContact O-NZ 3.36Å; L619-K664 HydrophobicContact CD2-CB 4.01Å; L619-K664 HydrophobicContact CD2-CD 3.82Å; L619-K664 HydrophobicContact CD2-CG 4.48Å; I622-K664 HydrophobicContact CD1-CD 4.46Å; I622-K664 HydrophobicContact CD1-CG 3.99Å; I622-K664 HydrophobicContact CG1-CG 4.43Å; A660-K664 PolarHBondContact O-N 2.83Å; K661-K664 WeakPolarHBondContact O-CB 3.44Å; K661-K664 PolarHBondContact O-N 2.79Å; G662-K664 PolarHBondContact O-N 3.11Å; K664-I666 VanDerWaalsContact C-N 3.3Å; K664-I666 PolarHBondContact O-N 2.99Å; K664-F667 WeakPolarHBondContact O-CB 3.28Å; K664-F667 PolarHBondContact O-N 3.39Å; K664-I668 HydrophobicContact CG-CD1 3.98Å; K664-I668 WeakPolarHBondContact O-CG1 3.37Å; K664-I668 PolarHBondContact O-N 2.91Å; K664-F716 HydrophobicContact CB-CE2 4.12Å; K664-F716 HydrophobicContact CB-CZ 4.1Å; K664-F716 HydrophobicContact CG-CE2 4.28Å; K664-F716 HydrophobicContact CG-CZ 4.2Å
665	H	94.5	Very high	94.3	Very high	76 Å²	76	46.3 Å²	46.3	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-57.6	-44.9	177.9	-176.8	87.8	0	0	0	111.6	L577 K661 G662 W663 I668 K669	L577-H665 HydrophobicContact CD2-CB 4.49Å; K661-H665 PolarHBondContact O-N 3.11Å; G662-H665 WeakPolarHBondContact O-CB 3.31Å; G662-H665 PolarHBondContact O-N 2.94Å; W663-H665 PolarHBondContact O-N 3.16Å; H665-I668 PolarHBondContact O-N 3.25Å; H665-K669 PolarHBondContact O-N 2.79Å
666	I	96.2	Very high	94.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-43.5	176.8	-65.6	158.3	0	0	0	110.9	L569 V573 G662 W663 K664 I668 K669 H670 A686 D689 A690 F719	L569-I666 HydrophobicContact CD2-CD1 3.8Å; V573-I666 HydrophobicContact CG2-CG1 4.42Å; G662-I666 WeakPolarHBondContact O-CD1 3.44Å; G662-I666 WeakPolarHBondContact O-CG1 3.49Å; G662-I666 PolarHBondContact O-N 2.84Å; W663-I666 PolarHBondContact O-N 3.19Å; K664-I666 VanDerWaalsContact C-N 3.3Å; K664-I666 PolarHBondContact O-N 2.99Å; I666-I668 VanDerWaalsContact C-N 3.32Å; I666-I668 PolarHBondContact O-N 3.37Å; I666-K669 VanDerWaalsContact O-CB 3.3Å; I666-K669 WeakPolarHBondContact O-CB 3.24Å; I666-K669 PolarHBondContact O-N 2.78Å; I666-K669 VanDerWaalsContact O-N 3.12Å; I666-H670 PolarHBondContact O-CD2 2.78Å; I666-H670 VanDerWaalsContact O-CD2 3.29Å; I666-H670 PolarHBondContact O-N 2.82Å; I666-A686 HydrophobicContact CG2-CB 4.4Å; I666-D689 WeakPolarHBondContact CD1-O 3.25Å; I666-D689 HydrophobicContact CG1-CB 4.47Å; I666-D689 HydrophobicContact CG2-CB 3.88Å; I666-A690 VanDerWaalsContact CD1-CA 3.47Å; I666-A690 HydrophobicContact CD1-CB 3.74Å; I666-F719 HydrophobicContact CG2-CZ 4.26Å
667	F	96.5	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.2	-47.5	177.4	-174.5	-87.6	0	0	0	111.7	I622 W663 K664 K669 H670 D671 G676 F678 F716 F719	I622-F667 HydrophobicContact CG2-CE1 4.22Å; W663-F667 WeakPolarHBondContact O-CB 3.42Å; W663-F667 PolarHBondContact O-N 2.68Å; K664-F667 WeakPolarHBondContact O-CB 3.28Å; K664-F667 PolarHBondContact O-N 3.39Å; F667-K669 VanDerWaalsContact C-N 3.26Å; F667-K669 PolarHBondContact O-N 2.88Å; F667-H670 PolarHBondContact O-N 3.33Å; F667-D671 HydrophobicContact CD1-CB 4.11Å; F667-D671 HydrophobicContact CE1-CB 3.78Å; F667-D671 HydrophobicContact CZ-CB 4.49Å; F667-D671 PolarHBondContact O-N 2.85Å; F667-G676 WeakPolarHBondContact CZ-O 3.31Å; F667-F678 AromaticContact CD2-CD1 3.6Å; F667-F678 HydrophobicContact CD2-CD1 3.6Å; F667-F678 AromaticContact CD2-CE1 3.49Å; F667-F678 HydrophobicContact CD2-CE1 3.49Å; F667-F678 VanDerWaalsContact CD2-CE1 3.49Å; F667-F678 AromaticContact CE2-CD1 3.37Å; F667-F678 HydrophobicContact CE2-CD1 3.37Å; F667-F678 AromaticContact CE2-CE1 3.49Å; F667-F678 HydrophobicContact CE2-CE1 3.49Å; F667-F678 VanDerWaalsContact CE2-CE1 3.49Å; F667-F678 HydrophobicContact CG-CD1 4.41Å; F667-F678 HydrophobicContact CZ-CD1 4.04Å; F667-F716 HydrophobicContact CB-CD2 3.89Å; F667-F716 HydrophobicContact CB-CE2 4.12Å; F667-F716 HydrophobicContact CD1-CB 4.27Å; F667-F716 AromaticContact CD1-CD2 3.75Å; F667-F716 HydrophobicContact CD1-CD2 3.75Å; F667-F716 HydrophobicContact CD1-CG 4.38Å; F667-F716 HydrophobicContact CD2-CB 4.3Å; F667-F716 AromaticContact CD2-CD2 3.76Å; F667-F716 HydrophobicContact CD2-CD2 3.76Å; F667-F716 HydrophobicContact CE1-CB 3.88Å; F667-F716 HydrophobicContact CE1-CD2 4.24Å; F667-F716 HydrophobicContact CE1-CG 4.47Å; F667-F716 HydrophobicContact CE2-CB 3.92Å; F667-F716 HydrophobicContact CE2-CD2 4.25Å; F667-F716 HydrophobicContact CG-CB 4.48Å; F667-F716 AromaticContact CG-CD2 3.5Å; F667-F716 HydrophobicContact CG-CD2 3.5Å; F667-F716 HydrophobicContact CG-CE2 4.23Å; F667-F716 HydrophobicContact CG-CG 4.44Å; F667-F716 HydrophobicContact CZ-CB 3.7Å; F667-F716 HydrophobicContact CZ-CD2 4.47Å; F667-F719 HydrophobicContact CB-CD1 4.06Å; F667-F719 HydrophobicContact CB-CE1 4.09Å; F667-F719 HydrophobicContact CD2-CB 3.84Å; F667-F719 AromaticContact CD2-CD1 3.72Å; F667-F719 HydrophobicContact CD2-CD1 3.72Å; F667-F719 HydrophobicContact CD2-CE1 4.45Å; F667-F719 AromaticContact CD2-CG 3.8Å; F667-F719 HydrophobicContact CD2-CG 3.8Å; F667-F719 HydrophobicContact CE2-CB 4.06Å; F667-F719 HydrophobicContact CE2-CG 4.47Å; F667-F719 HydrophobicContact CG-CD1 4.35Å
668	I	94.6	Very high	94.4	Very high	84 Å²	84	45 Å²	45	43%	0.431	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-33.6	179.3	-67.9	168.6	0	0	0	111.8	I622 K664 H665 I666 H670	I622-I668 HydrophobicContact CD1-CD1 3.89Å; I622-I668 HydrophobicContact CD1-CG1 3.75Å; K664-I668 HydrophobicContact CG-CD1 3.98Å; K664-I668 WeakPolarHBondContact O-CG1 3.37Å; K664-I668 PolarHBondContact O-N 2.91Å; H665-I668 PolarHBondContact O-N 3.25Å; I666-I668 VanDerWaalsContact C-N 3.32Å; I666-I668 PolarHBondContact O-N 3.37Å; I668-H670 PolarHBondContact O-N 3.38Å
669	K	94.2	Very high	94.4	Very high	119 Å²	119	43.1 Å²	43.1	52%	0.517	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-33.4	175.1	-178.4	-171.7	175.2	-168.1	0	112.2	H665 I666 F667 D689	H665-K669 PolarHBondContact O-N 2.79Å; I666-K669 VanDerWaalsContact O-CB 3.3Å; I666-K669 WeakPolarHBondContact O-CB 3.24Å; I666-K669 PolarHBondContact O-N 2.78Å; I666-K669 VanDerWaalsContact O-N 3.12Å; F667-K669 VanDerWaalsContact C-N 3.26Å; F667-K669 PolarHBondContact O-N 2.88Å; K669-D689 WeakPolarHBondContact CE-OD2 3.29Å; K669-D689 IonicContact NZ-OD1 3.69Å; K669-D689 PolarHBondContact NZ-OD1 3.39Å; K669-D689 IonicContact NZ-OD2 2.67Å; K669-D689 PolarHBondContact NZ-OD2 3.28Å
670	H	94.3	Very high	94.2	Very high	18 Å²	18	41 Å²	41	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-94.1	-26.6	-179.4	-70.7	-82.2	0	0	0	113.3	I666 F667 I668 V672 F678 A686 D689	I666-H670 PolarHBondContact O-CD2 2.78Å; I666-H670 VanDerWaalsContact O-CD2 3.29Å; I666-H670 PolarHBondContact O-N 2.82Å; F667-H670 PolarHBondContact O-N 3.33Å; I668-H670 PolarHBondContact O-N 3.38Å; H670-V672 PolarHBondContact O-N 2.94Å; H670-F678 HydrophobicContact CB-CB 3.95Å; H670-F678 HydrophobicContact CB-CD1 4.09Å; H670-F678 HydrophobicContact CB-CG 3.96Å; H670-A686 WeakPolarHBondContact NE2-CA 3.41Å; H670-D689 IonicContact CD2-OD2 3.16Å; H670-D689 IonicContact CE1-OD2 3.85Å; H670-D689 IonicContact NE2-OD2 2.66Å; H670-D689 PolarHBondContact NE2-OD2 2.97Å
671	D	94.5	Very high	93.8	Very high	7 Å²	7	42 Å²	42	4%	0.037	21%	0.211	C	C	.	.			trans	-78.7	64.3	172.5	-176.2	19.2	0	0	0	111.6	F667 D673 Q674 S675 G676	F667-D671 HydrophobicContact CD1-CB 4.11Å; F667-D671 HydrophobicContact CE1-CB 3.78Å; F667-D671 HydrophobicContact CZ-CB 4.49Å; F667-D671 PolarHBondContact O-N 2.85Å; D671-D673 PolarHBondContact O-N 2.99Å; D671-D673 VanDerWaalsContact OD1-OD1 3.1Å; D671-Q674 PolarHBondContact O-N 3.38Å; D671-Q674 WeakPolarHBondContact OD1-CA 3.48Å; D671-Q674 PolarHBondContact OD1-N 3.24Å; D671-Q674 WeakPolarHBondContact OD2-CA 3.28Å; D671-S675 PolarHBondContact OD1-N 3.47Å; D671-S675 PolarHBondContact OD1-OG 3.06Å; D671-S675 PolarHBondContact OD2-N 3.16Å; D671-G676 PolarHBondContact OD1-N 2.79Å; D671-G676 VanDerWaalsContact OD2-CA 3.28Å; D671-G676 WeakPolarHBondContact OD2-CA 3.47Å; D671-G676 PolarHBondContact OD2-N 3.13Å
672	V	90.9	Very high	93.6	Very high	119 Å²	119	44 Å²	44	72%	0.721	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.5	-173.6	179.7	0	0	0	0	112.5	H670	H670-V672 PolarHBondContact O-N 2.94Å
673	D	91.9	Very high	93.5	Very high	115 Å²	115	44 Å²	44	62%	0.615	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	1.7	179.7	73	-6.4	0	0	0	114	D671 S675	D671-D673 PolarHBondContact O-N 2.99Å; D671-D673 VanDerWaalsContact OD1-OD1 3.1Å; D673-S675 PolarHBondContact O-N 2.95Å; D673-S675 WeakPolarHBondContact OD1-CB 3.41Å; D673-S675 PolarHBondContact OD1-N 3.41Å; D673-S675 PolarHBondContact OD1-OG 3.29Å
674	Q	91.7	Very high	93.4	Very high	148 Å²	148	44.1 Å²	44.1	69%	0.692	22%	0.221	S	C	*	.			trans	54.3	36.8	-179.4	-56.4	179.5	5.1	0	0	112.2	P623 D671 G676	P623-Q674 WeakPolarHBondContact CB-O 3.48Å; P623-Q674 WeakPolarHBondContact CG-O 3.49Å; D671-Q674 PolarHBondContact O-N 3.38Å; D671-Q674 WeakPolarHBondContact OD1-CA 3.48Å; D671-Q674 PolarHBondContact OD1-N 3.24Å; D671-Q674 WeakPolarHBondContact OD2-CA 3.28Å; Q674-G676 VanDerWaalsContact C-N 3.32Å
675	S	93.4	Very high	93.2	Very high	23 Å²	23	45 Å²	45	16%	0.161	23%	0.226	C	C	.	.	S	Bend	trans	-83.3	-11.8	180	66.4	0	0	0	0	112.7	N624 D671 D673 Y677	N624-S675 PolarHBondContact ND2-O 3.46Å; D671-S675 PolarHBondContact OD1-N 3.47Å; D671-S675 PolarHBondContact OD1-OG 3.06Å; D671-S675 PolarHBondContact OD2-N 3.16Å; D673-S675 PolarHBondContact O-N 2.95Å; D673-S675 WeakPolarHBondContact OD1-CB 3.41Å; D673-S675 PolarHBondContact OD1-N 3.41Å; D673-S675 PolarHBondContact OD1-OG 3.29Å; S675-Y677 VanDerWaalsContact C-N 3.32Å; S675-Y677 VanDerWaalsContact O-CD2 3.24Å; S675-Y677 WeakPolarHBondContact O-CD2 3.43Å; S675-Y677 PolarHBondContact OG-N 3.12Å; S675-Y677 PolarHBondContact OG-O 3.22Å
676	G	94.2	Very high	93.3	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	21%	0.209	C	C	.	.	S	Bend	trans	82.4	13.8	-166.9	0	0	0	0	0	113	P623 F667 D671 Q674 F716	P623-G676 VanDerWaalsContact O-CA 3.28Å; P623-G676 WeakPolarHBondContact O-CA 3.33Å; F667-G676 WeakPolarHBondContact CZ-O 3.31Å; D671-G676 PolarHBondContact OD1-N 2.79Å; D671-G676 VanDerWaalsContact OD2-CA 3.28Å; D671-G676 WeakPolarHBondContact OD2-CA 3.47Å; D671-G676 PolarHBondContact OD2-N 3.13Å; Q674-G676 VanDerWaalsContact C-N 3.32Å; G676-F716 PolarHBondContact O-N 3.11Å
677	Y	95.4	Very high	93.3	Very high	66 Å²	66	41.3 Å²	41.3	26%	0.259	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.2	-177.7	-57.4	-93	0	0	0	110.9	N624 S675 D708 K713 I714	N624-Y677 HydrophobicContact CB-CE2 4.21Å; S675-Y677 VanDerWaalsContact C-N 3.32Å; S675-Y677 VanDerWaalsContact O-CD2 3.24Å; S675-Y677 WeakPolarHBondContact O-CD2 3.43Å; S675-Y677 PolarHBondContact OG-N 3.12Å; S675-Y677 PolarHBondContact OG-O 3.22Å; Y677-D708 WeakPolarHBondContact CE1-OD2 3.11Å; Y677-K713 HydrophobicContact CD1-CB 3.99Å; Y677-K713 HydrophobicContact CD1-CD 4.31Å; Y677-K713 HydrophobicContact CG-CB 4.4Å; Y677-K713 HydrophobicContact CG-CD 4.15Å; Y677-I714 VanDerWaalsContact CA-O 3.26Å; Y677-I714 WeakPolarHBondContact CA-O 3.4Å
678	F	94.1	Very high	93.1	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	168.8	164.6	67.9	-105.2	0	0	0	110.8	F667 H670 E682 F683 A686 K713 I714 F719	F667-F678 AromaticContact CD2-CD1 3.6Å; F667-F678 HydrophobicContact CD2-CD1 3.6Å; F667-F678 AromaticContact CD2-CE1 3.49Å; F667-F678 HydrophobicContact CD2-CE1 3.49Å; F667-F678 VanDerWaalsContact CD2-CE1 3.49Å; F667-F678 AromaticContact CE2-CD1 3.37Å; F667-F678 HydrophobicContact CE2-CD1 3.37Å; F667-F678 AromaticContact CE2-CE1 3.49Å; F667-F678 HydrophobicContact CE2-CE1 3.49Å; F667-F678 VanDerWaalsContact CE2-CE1 3.49Å; F667-F678 HydrophobicContact CG-CD1 4.41Å; F667-F678 HydrophobicContact CZ-CD1 4.04Å; H670-F678 HydrophobicContact CB-CB 3.95Å; H670-F678 HydrophobicContact CB-CD1 4.09Å; H670-F678 HydrophobicContact CB-CG 3.96Å; F678-E682 HydrophobicContact CD2-CB 4.1Å; F678-F683 HydrophobicContact CE2-CB 3.85Å; F678-F683 HydrophobicContact CE2-CD2 4.13Å; F678-F683 HydrophobicContact CE2-CG 4.05Å; F678-F683 HydrophobicContact CZ-CB 4.43Å; F678-F683 AromaticContact CZ-CD2 3.83Å; F678-F683 HydrophobicContact CZ-CD2 3.83Å; F678-F683 HydrophobicContact CZ-CE2 4.32Å; F678-F683 HydrophobicContact CZ-CG 4.17Å; F678-A686 HydrophobicContact CZ-CB 4.24Å; F678-K713 WeakPolarHBondContact O-CA 3.38Å; F678-I714 HydrophobicContact CD2-CB 4.24Å; F678-I714 HydrophobicContact CD2-CG1 4.43Å; F678-I714 HydrophobicContact CE1-CB 4.27Å; F678-I714 HydrophobicContact CE1-CG2 4.12Å; F678-I714 HydrophobicContact CE2-CB 3.76Å; F678-I714 HydrophobicContact CE2-CG1 3.81Å; F678-I714 HydrophobicContact CE2-CG2 4.18Å; F678-I714 HydrophobicContact CZ-CB 3.78Å; F678-I714 HydrophobicContact CZ-CG1 4.19Å; F678-I714 HydrophobicContact CZ-CG2 3.7Å; F678-I714 PolarHBondContact N-O 3.17Å; F678-I714 PolarHBondContact O-N 2.7Å; F678-F719 HydrophobicContact CE1-CB 4.25Å; F678-F719 AromaticContact CE1-CD2 3.74Å; F678-F719 HydrophobicContact CE1-CD2 3.74Å; F678-F719 HydrophobicContact CE1-CE2 4.32Å; F678-F719 HydrophobicContact CE1-CG 4.05Å; F678-F719 AromaticContact CZ-CD2 3.74Å; F678-F719 HydrophobicContact CZ-CD2 3.74Å; F678-F719 HydrophobicContact CZ-CE2 4.3Å; F678-F719 HydrophobicContact CZ-CG 4.42Å
679	S	91.9	Very high	93.1	Very high	31 Å²	31	41.2 Å²	41.2	22%	0.217	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.2	-178.4	-175.3	0	0	0	0	112	Y681 E682 D712	S679-Y681 PolarHBondContact O-N 2.9Å; S679-Y681 PolarHBondContact OG-N 3.43Å; S679-E682 WeakPolarHBondContact CB-OE2 3.32Å; S679-E682 PolarHBondContact N-OE2 2.74Å; S679-E682 VanDerWaalsContact N-OE2 3.08Å; S679-E682 WeakPolarHBondContact O-CB 3.22Å; S679-E682 PolarHBondContact O-N 2.97Å; S679-D712 CarbonylContact C-O 3.51Å; S679-D712 WeakPolarHBondContact CA-O 3.5Å
680	A	91.1	Very high	93.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.7	173	0	0	0	0	0	113.3	N425 E682 F683 Q707 D712 I714	N425-A680 HydrophobicContact CB-CB 3.86Å; A680-E682 VanDerWaalsContact C-N 3.32Å; A680-E682 PolarHBondContact O-N 3.42Å; A680-F683 VanDerWaalsContact O-CB 3.26Å; A680-F683 WeakPolarHBondContact O-CB 3.41Å; A680-F683 PolarHBondContact O-N 3.06Å; A680-Q707 HydrophobicContact CB-CG 4.2Å; A680-D712 PolarHBondContact N-O 2.93Å; A680-I714 HydrophobicContact CB-CD1 4.34Å; A680-I714 HydrophobicContact CB-CG1 4.24Å
681	Y	86.6	Confident	93.2	Very high	20 Å²	20	34.8 Å²	34.8	8%	0.078	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.1	172.5	-81.8	-74.3	0	0	0	114.6	N425 A428 T437 N540 S679 F683	N425-Y681 HydrophobicContact CB-CE2 4.43Å; N425-Y681 PolarHBondContact N-OH 2.87Å; N425-Y681 WeakPolarHBondContact OD1-CE2 3.32Å; A428-Y681 PolarHBondContact O-OH 3.25Å; T437-Y681 HydrophobicContact CG2-CD1 3.49Å; T437-Y681 VanDerWaalsContact CG2-CD1 3.49Å; T437-Y681 HydrophobicContact CG2-CD2 4.17Å; T437-Y681 HydrophobicContact CG2-CE1 3.95Å; T437-Y681 HydrophobicContact CG2-CG 3.6Å; N540-Y681 PolarHBondContact N-OH 3.3Å; N540-Y681 VanDerWaalsContact OD1-CE2 3.26Å; N540-Y681 WeakPolarHBondContact OD1-CE2 3.22Å; N540-Y681 VanDerWaalsContact OD1-CZ 3.28Å; N540-Y681 PolarHBondContact OD1-OH 3.2Å; S679-Y681 PolarHBondContact O-N 2.9Å; S679-Y681 PolarHBondContact OG-N 3.43Å; Y681-F683 VanDerWaalsContact C-N 3.29Å
682	E	91.2	Very high	93.3	Very high	55 Å²	55	34.8 Å²	34.8	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.2	179.2	-65.1	168.4	141.3	0	0	111	F678 S679 A680 R684 E685 A686	F678-E682 HydrophobicContact CD2-CB 4.1Å; S679-E682 WeakPolarHBondContact CB-OE2 3.32Å; S679-E682 PolarHBondContact N-OE2 2.74Å; S679-E682 VanDerWaalsContact N-OE2 3.08Å; S679-E682 WeakPolarHBondContact O-CB 3.22Å; S679-E682 PolarHBondContact O-N 2.97Å; A680-E682 VanDerWaalsContact C-N 3.32Å; A680-E682 PolarHBondContact O-N 3.42Å; E682-R684 VanDerWaalsContact C-N 3.27Å; E682-R684 PolarHBondContact O-N 3.18Å; E682-E685 CarbonylContact O-C 3.53Å; E682-E685 WeakPolarHBondContact O-CA 3.26Å; E682-E685 PolarHBondContact O-N 3.21Å; E682-A686 PolarHBondContact O-N 3.35Å
683	F	94.1	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-36.2	-174.4	-157.2	175.3	0	0	0	112.6	F678 A680 Y681 A686 L687 I702 I703 I714 F719 C722 M723	F678-F683 HydrophobicContact CE2-CB 3.85Å; F678-F683 HydrophobicContact CE2-CD2 4.13Å; F678-F683 HydrophobicContact CE2-CG 4.05Å; F678-F683 HydrophobicContact CZ-CB 4.43Å; F678-F683 AromaticContact CZ-CD2 3.83Å; F678-F683 HydrophobicContact CZ-CD2 3.83Å; F678-F683 HydrophobicContact CZ-CE2 4.32Å; F678-F683 HydrophobicContact CZ-CG 4.17Å; A680-F683 VanDerWaalsContact O-CB 3.26Å; A680-F683 WeakPolarHBondContact O-CB 3.41Å; A680-F683 PolarHBondContact O-N 3.06Å; Y681-F683 VanDerWaalsContact C-N 3.29Å; F683-A686 PolarHBondContact O-N 2.85Å; F683-L687 HydrophobicContact CD2-CD1 4.36Å; F683-L687 HydrophobicContact CD2-CG 4.03Å; F683-L687 HydrophobicContact CE2-CD1 4.48Å; F683-L687 HydrophobicContact CE2-CD2 4.19Å; F683-L687 HydrophobicContact CE2-CG 4.11Å; F683-L687 WeakPolarHBondContact O-CB 3.47Å; F683-L687 VanDerWaalsContact O-CG 3.28Å; F683-L687 WeakPolarHBondContact O-CG 3.42Å; F683-L687 PolarHBondContact O-N 2.87Å; F683-I702 HydrophobicContact CD1-CG2 3.84Å; F683-I702 HydrophobicContact CE1-CG2 3.26Å; F683-I702 HydrophobicContact CE2-CG2 4.34Å; F683-I702 HydrophobicContact CZ-CG2 3.55Å; F683-I703 HydrophobicContact CD1-CG1 4.2Å; F683-I714 HydrophobicContact CD1-CD1 3.64Å; F683-I714 HydrophobicContact CD1-CG1 3.86Å; F683-I714 HydrophobicContact CE1-CD1 3.76Å; F683-I714 HydrophobicContact CE1-CG1 4.25Å; F683-I714 HydrophobicContact CE1-CG2 4.28Å; F683-I714 HydrophobicContact CG-CG1 4.34Å; F683-I714 HydrophobicContact CZ-CG2 4.43Å; F683-F719 HydrophobicContact CD2-CD2 4.23Å; F683-F719 HydrophobicContact CD2-CE2 4.43Å; F683-F719 AromaticContact CE2-CD2 3.61Å; F683-F719 HydrophobicContact CE2-CD2 3.61Å; F683-F719 AromaticContact CE2-CE2 3.99Å; F683-F719 HydrophobicContact CE2-CE2 3.99Å; F683-F719 HydrophobicContact CZ-CD2 4.35Å; F683-C722 HydrophobicContact CZ-CB 3.95Å; F683-M723 HydrophobicContact CE2-CE 3.95Å
684	R	93.5	Very high	93.5	Very high	6 Å²	6	25.5 Å²	25.5	2%	0.023	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-41.9	173.7	-174.5	-176.9	-80.2	129	-15.4	112	W439 E682 A686 L687 N688 N696 I699	W439-R684 HydrophobicContact CH2-CB 4.23Å; W439-R684 HydrophobicContact CH2-CG 3.95Å; E682-R684 VanDerWaalsContact C-N 3.27Å; E682-R684 PolarHBondContact O-N 3.18Å; R684-A686 VanDerWaalsContact C-N 3.33Å; R684-L687 PolarHBondContact O-N 3.1Å; R684-N688 VanDerWaalsContact O-CG 3.28Å; R684-N688 PolarHBondContact O-N 2.91Å; R684-N688 PolarHBondContact O-OD1 3.27Å; R684-N696 PolarHBondContact NH2-OD1 2.91Å; R684-I699 HydrophobicContact CB-CD1 4.18Å; R684-I699 HydrophobicContact CB-CG1 4.41Å
685	E	93	Very high	93.5	Very high	45 Å²	45	19 Å²	19	21%	0.21	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-40.6	175.9	-56.9	-165	100.6	0	0	110.3	W439 R499 E682 L687 N688 D689	W439-E685 HydrophobicContact CH2-CG 3.92Å; W439-E685 HydrophobicContact CZ2-CG 3.33Å; R499-E685 IonicContact NH1-OE2 3.18Å; R499-E685 PolarHBondContact NH1-OE2 2.9Å; R499-E685 VanDerWaalsContact NH1-OE2 3.14Å; E682-E685 CarbonylContact O-C 3.53Å; E682-E685 WeakPolarHBondContact O-CA 3.26Å; E682-E685 PolarHBondContact O-N 3.21Å; E685-L687 PolarHBondContact O-N 3.1Å; E685-N688 PolarHBondContact O-N 3.46Å; E685-D689 WeakPolarHBondContact O-CB 3.34Å; E685-D689 PolarHBondContact O-N 3.06Å
686	A	95.5	Very high	93.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-37.9	175.7	0	0	0	0	0	113.2	I666 H670 F678 E682 F683 R684 A690 F719	I666-A686 HydrophobicContact CG2-CB 4.4Å; H670-A686 WeakPolarHBondContact NE2-CA 3.41Å; F678-A686 HydrophobicContact CZ-CB 4.24Å; E682-A686 PolarHBondContact O-N 3.35Å; F683-A686 PolarHBondContact O-N 2.85Å; R684-A686 VanDerWaalsContact C-N 3.33Å; A686-A690 WeakPolarHBondContact O-CB 3.43Å; A686-A690 PolarHBondContact O-N 2.86Å; A686-F719 HydrophobicContact CB-CE2 4.06Å
687	L	95.9	Very high	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.3	-45.7	173.1	-73.7	173.1	0	0	0	111.7	F683 R684 E685 D689 A690 G691 Y692 V694 I699 I702 M723 L726	F683-L687 HydrophobicContact CD2-CD1 4.36Å; F683-L687 HydrophobicContact CD2-CG 4.03Å; F683-L687 HydrophobicContact CE2-CD1 4.48Å; F683-L687 HydrophobicContact CE2-CD2 4.19Å; F683-L687 HydrophobicContact CE2-CG 4.11Å; F683-L687 WeakPolarHBondContact O-CB 3.47Å; F683-L687 VanDerWaalsContact O-CG 3.28Å; F683-L687 WeakPolarHBondContact O-CG 3.42Å; F683-L687 PolarHBondContact O-N 2.87Å; R684-L687 PolarHBondContact O-N 3.1Å; E685-L687 PolarHBondContact O-N 3.1Å; L687-D689 VanDerWaalsContact C-N 3.31Å; L687-D689 PolarHBondContact O-N 3.28Å; L687-A690 CarbonylContact O-C 3.51Å; L687-A690 WeakPolarHBondContact O-CA 3.31Å; L687-A690 WeakPolarHBondContact O-CB 3.3Å; L687-A690 PolarHBondContact O-N 3.24Å; L687-G691 PolarHBondContact O-N 3.34Å; L687-G691 VanDerWaalsContact O-N 3.16Å; L687-Y692 CarbonylContact C-O 3.56Å; L687-Y692 WeakPolarHBondContact CB-O 3.45Å; L687-Y692 HydrophobicContact CD2-CD2 4.42Å; L687-Y692 WeakPolarHBondContact O-CA 3.29Å; L687-Y692 PolarHBondContact O-N 2.79Å; L687-V694 HydrophobicContact CD1-CG2 3.62Å; L687-I699 HydrophobicContact CD1-CD1 3.48Å; L687-I699 VanDerWaalsContact CD1-CD1 3.48Å; L687-I702 HydrophobicContact CD1-CD1 3.88Å; L687-M723 HydrophobicContact CD2-CE 3.21Å; L687-M723 HydrophobicContact CD2-SD 3.98Å; L687-M723 HydrophobicContact CG-CE 4.39Å; L687-L726 HydrophobicContact CD2-CD1 3.51Å
688	N	93.8	Very high	92.5	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.203	13%	0.129	C	C	.	.	H	α-helix	trans	-60.4	-42.3	176.6	-71.2	-7.2	0	0	0	111.1	R684 E685 A690 G691 Y692 H693	R684-N688 VanDerWaalsContact O-CG 3.28Å; R684-N688 PolarHBondContact O-N 2.91Å; R684-N688 PolarHBondContact O-OD1 3.27Å; E685-N688 PolarHBondContact O-N 3.46Å; N688-A690 PolarHBondContact O-N 2.92Å; N688-G691 PolarHBondContact O-N 2.87Å; N688-Y692 PolarHBondContact N-O 2.93Å; N688-Y692 PolarHBondContact OD1-O 3.14Å; N688-H693 PolarHBondContact OD1-ND1 3.01Å
689	D	94.6	Very high	92.4	Very high	43 Å²	43	27.1 Å²	27.1	23%	0.23	13%	0.127	C	C	.	.	H	α-helix	trans	-64.2	-25.1	174.1	-76.2	-23.1	0	0	0	112.7	P570 I666 K669 H670 E685 L687 G691	P570-D689 WeakPolarHBondContact CD-O 3.01Å; P570-D689 VanDerWaalsContact CG-O 3.28Å; P570-D689 WeakPolarHBondContact CG-O 3.41Å; I666-D689 WeakPolarHBondContact CD1-O 3.25Å; I666-D689 HydrophobicContact CG1-CB 4.47Å; I666-D689 HydrophobicContact CG2-CB 3.88Å; K669-D689 WeakPolarHBondContact CE-OD2 3.29Å; K669-D689 IonicContact NZ-OD1 3.69Å; K669-D689 PolarHBondContact NZ-OD1 3.39Å; K669-D689 IonicContact NZ-OD2 2.67Å; K669-D689 PolarHBondContact NZ-OD2 3.28Å; H670-D689 IonicContact CD2-OD2 3.16Å; H670-D689 IonicContact CE1-OD2 3.85Å; H670-D689 IonicContact NE2-OD2 2.66Å; H670-D689 PolarHBondContact NE2-OD2 2.97Å; E685-D689 WeakPolarHBondContact O-CB 3.34Å; E685-D689 PolarHBondContact O-N 3.06Å; L687-D689 VanDerWaalsContact C-N 3.31Å; L687-D689 PolarHBondContact O-N 3.28Å; D689-G691 VanDerWaalsContact C-N 3.31Å
690	A	95.9	Very high	92.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.008	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.9	172.7	0	0	0	0	0	113.7	I666 A686 L687 N688 Y692 M723	I666-A690 VanDerWaalsContact CD1-CA 3.47Å; I666-A690 HydrophobicContact CD1-CB 3.74Å; A686-A690 WeakPolarHBondContact O-CB 3.43Å; A686-A690 PolarHBondContact O-N 2.86Å; L687-A690 CarbonylContact O-C 3.51Å; L687-A690 WeakPolarHBondContact O-CA 3.31Å; L687-A690 WeakPolarHBondContact O-CB 3.3Å; L687-A690 PolarHBondContact O-N 3.24Å; N688-A690 PolarHBondContact O-N 2.92Å; A690-Y692 VanDerWaalsContact C-N 3.34Å; A690-Y692 HydrophobicContact CB-CD2 3.84Å; A690-Y692 HydrophobicContact CB-CE2 4.25Å; A690-M723 HydrophobicContact CB-SD 4.06Å
691	G	94.9	Very high	92.4	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	3.2	-178	0	0	0	0	0	114.8	N566 Q567 G568 L687 N688 D689	N566-G691 WeakPolarHBondContact CA-O 3.46Å; Q567-G691 PolarHBondContact N-O 3.44Å; G568-G691 WeakPolarHBondContact O-CA 3.3Å; L687-G691 PolarHBondContact O-N 3.34Å; L687-G691 VanDerWaalsContact O-N 3.16Å; N688-G691 PolarHBondContact O-N 2.87Å; D689-G691 VanDerWaalsContact C-N 3.31Å
692	Y	95.8	Very high	92.8	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.024	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.7	177.6	-62.5	-70.8	0	0	0	110.7	N566 L687 N688 A690 M723 L726 K727 F730	N566-Y692 HydrophobicContact CB-CD1 3.93Å; N566-Y692 HydrophobicContact CB-CE1 3.91Å; L687-Y692 CarbonylContact C-O 3.56Å; L687-Y692 WeakPolarHBondContact CB-O 3.45Å; L687-Y692 HydrophobicContact CD2-CD2 4.42Å; L687-Y692 WeakPolarHBondContact O-CA 3.29Å; L687-Y692 PolarHBondContact O-N 2.79Å; N688-Y692 PolarHBondContact N-O 2.93Å; N688-Y692 PolarHBondContact OD1-O 3.14Å; A690-Y692 VanDerWaalsContact C-N 3.34Å; A690-Y692 HydrophobicContact CB-CD2 3.84Å; A690-Y692 HydrophobicContact CB-CE2 4.25Å; Y692-M723 HydrophobicContact CD2-SD 3.94Å; Y692-M723 HydrophobicContact CE2-SD 3.9Å; Y692-L726 HydrophobicContact CD1-CB 4.37Å; Y692-L726 HydrophobicContact CE1-CB 4.14Å; Y692-L726 HydrophobicContact CG-CD1 4.46Å; Y692-K727 WeakPolarHBondContact OH-CA 3.39Å; Y692-K727 WeakPolarHBondContact OH-CB 3.39Å; Y692-F730 AromaticContact CD1-CD2 3.63Å; Y692-F730 HydrophobicContact CD1-CD2 3.63Å; Y692-F730 AromaticContact CD1-CE2 3.6Å; Y692-F730 HydrophobicContact CD1-CE2 3.6Å; Y692-F730 AromaticContact CE1-CD2 3.73Å; Y692-F730 HydrophobicContact CE1-CD2 3.73Å; Y692-F730 HydrophobicContact CE1-CE2 4.19Å
693	H	94.2	Very high	92.8	Very high	39 Å²	39	26.7 Å²	26.7	18%	0.181	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.5	166.7	-63.4	-91.4	0	0	0	108.4	E562 D563 N564 T565 Q567 N688	E562-H693 HydrophobicContact CB-CB 4.44Å; E562-H693 IonicContact OE2-ND1 3.61Å; D563-H693 CarbonylContact O-C 3.55Å; D563-H693 VanDerWaalsContact O-O 3.1Å; N564-H693 CarbonylContact C-O 3.49Å; N564-H693 VanDerWaalsContact CA-O 3.26Å; N564-H693 WeakPolarHBondContact CA-O 3.33Å; T565-H693 PolarHBondContact N-O 3Å; T565-H693 PolarHBondContact O-N 3.21Å; Q567-H693 PolarHBondContact NE2-CD2 3.06Å; Q567-H693 VanDerWaalsContact NE2-CD2 3.35Å; Q567-H693 PolarHBondContact NE2-NE2 2.92Å; N688-H693 PolarHBondContact OD1-ND1 3.01Å
694	V	93.2	Very high	92.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.			trans	-131.4	136.7	-174.2	-64.2	0	0	0	0	111.5	E562 N564 L687 L698 I699 I702 F730	E562-V694 WeakPolarHBondContact CB-O 3.4Å; N564-V694 WeakPolarHBondContact OD1-CA 3.2Å; L687-V694 HydrophobicContact CD1-CG2 3.62Å; V694-L698 HydrophobicContact CB-CB 4.21Å; V694-L698 HydrophobicContact CB-CD2 3.86Å; V694-L698 HydrophobicContact CB-CG 4.05Å; V694-L698 HydrophobicContact CG1-CD2 3.59Å; V694-L698 HydrophobicContact CG1-CG 4.15Å; V694-I699 HydrophobicContact CG2-CB 3.95Å; V694-I699 HydrophobicContact CG2-CD1 4.05Å; V694-I702 HydrophobicContact CG1-CD1 4.41Å; V694-I702 HydrophobicContact CG2-CD1 4.28Å; V694-F730 HydrophobicContact CG1-CE2 4.45Å; V694-F730 HydrophobicContact CG1-CZ 4.37Å
695	S	90.8	Very high	92.7	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	19%	0.187	C	C	.	.			trans	-66.4	159.6	-178.2	89.5	0	0	0	0	111.8	D561 E562 N564 R697 L698 I699	D561-S695 WeakPolarHBondContact OD1-CA 3.3Å; D561-S695 WeakPolarHBondContact OD2-CB 3.42Å; E562-S695 WeakPolarHBondContact O-CA 3.35Å; E562-S695 VanDerWaalsContact O-CB 3.25Å; E562-S695 WeakPolarHBondContact O-CB 3.04Å; N564-S695 PolarHBondContact OD1-N 3.34Å; S695-R697 PolarHBondContact O-N 3.17Å; S695-R697 VanDerWaalsContact O-N 3.08Å; S695-L698 PolarHBondContact O-N 2.84Å; S695-I699 WeakPolarHBondContact O-CG2 3.17Å; S695-I699 PolarHBondContact O-N 2.88Å
696	N	85.2	Confident	92.8	Very high	18 Å²	18	37.2 Å²	37.2	10%	0.096	18%	0.18	C	C	.	.	H	α-helix	trans	-50.9	-36	177.5	-78.9	-35.9	0	0	0	112.9	D561 R684 I699 N700	D561-N696 VanDerWaalsContact CG-N 3.33Å; D561-N696 VanDerWaalsContact OD1-CG 3.3Å; D561-N696 PolarHBondContact OD1-N 2.91Å; D561-N696 PolarHBondContact OD1-ND2 3.45Å; D561-N696 PolarHBondContact OD2-N 3.03Å; R684-N696 PolarHBondContact NH2-OD1 2.91Å; N696-I699 VanDerWaalsContact O-CG2 3.3Å; N696-I699 WeakPolarHBondContact O-CG2 3.41Å; N696-N700 VanDerWaalsContact O-CB 3.3Å; N696-N700 WeakPolarHBondContact O-CB 3.34Å; N696-N700 PolarHBondContact O-N 2.93Å
697	R	86.1	Confident	92.7	Very high	200 Å²	200	39 Å²	39	76%	0.755	19%	0.188	S	C	*	.	H	α-helix	trans	-68	-41.9	176	-174.8	176.2	176.8	173.5	0.1	112.8	S695 A701	S695-R697 PolarHBondContact O-N 3.17Å; S695-R697 VanDerWaalsContact O-N 3.08Å; R697-A701 PolarHBondContact O-N 3.26Å
698	L	91	Very high	92.5	Very high	52 Å²	52	41.1 Å²	41.1	27%	0.272	20%	0.199	S	C	.	.	H	α-helix	trans	-75.6	-44.3	-176.8	178.8	54.4	0	0	0	111	N564 V694 S695 N700 A701 I702	N564-L698 WeakPolarHBondContact OD1-CD2 3.3Å; V694-L698 HydrophobicContact CB-CB 4.21Å; V694-L698 HydrophobicContact CB-CD2 3.86Å; V694-L698 HydrophobicContact CB-CG 4.05Å; V694-L698 HydrophobicContact CG1-CD2 3.59Å; V694-L698 HydrophobicContact CG1-CG 4.15Å; S695-L698 PolarHBondContact O-N 2.84Å; L698-N700 VanDerWaalsContact C-N 3.3Å; L698-N700 PolarHBondContact O-N 2.77Å; L698-A701 WeakPolarHBondContact O-CA 3.48Å; L698-A701 WeakPolarHBondContact O-CB 3.37Å; L698-A701 PolarHBondContact O-N 3.12Å; L698-I702 HydrophobicContact CD1-CD1 4.33Å; L698-I702 HydrophobicContact CD1-CG1 4.36Å; L698-I702 HydrophobicContact CG-CD1 3.99Å; L698-I702 WeakPolarHBondContact O-CG1 3.27Å; L698-I702 PolarHBondContact O-N 3.46Å
699	I	92.6	Very high	92.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-36.6	175.9	-171	70.4	0	0	0	112.7	V426 R684 L687 V694 S695 N696 A701 I702 I703	V426-I699 HydrophobicContact CG1-CG2 4.14Å; R684-I699 HydrophobicContact CB-CD1 4.18Å; R684-I699 HydrophobicContact CB-CG1 4.41Å; L687-I699 HydrophobicContact CD1-CD1 3.48Å; L687-I699 VanDerWaalsContact CD1-CD1 3.48Å; V694-I699 HydrophobicContact CG2-CB 3.95Å; V694-I699 HydrophobicContact CG2-CD1 4.05Å; S695-I699 WeakPolarHBondContact O-CG2 3.17Å; S695-I699 PolarHBondContact O-N 2.88Å; N696-I699 VanDerWaalsContact O-CG2 3.3Å; N696-I699 WeakPolarHBondContact O-CG2 3.41Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 2.86Å; I699-I702 PolarHBondContact O-N 3.05Å; I699-I703 HydrophobicContact CD1-CD1 4.35Å; I699-I703 HydrophobicContact CG1-CD1 3.86Å; I699-I703 HydrophobicContact CG1-CG1 4.4Å; I699-I703 WeakPolarHBondContact O-CB 3.45Å; I699-I703 WeakPolarHBondContact O-CG1 3.47Å; I699-I703 PolarHBondContact O-N 3.42Å
700	N	89.9	Confident	91.8	Very high	33 Å²	33	47 Å²	47	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-40.8	172	180	34.8	0	0	0	111.8	Q423 V426 N696 L698 N704	Q423-N700 VanDerWaalsContact NE2-CG 3.33Å; Q423-N700 PolarHBondContact NE2-ND2 3.43Å; Q423-N700 VanDerWaalsContact NE2-ND2 3.19Å; Q423-N700 PolarHBondContact NE2-OD1 3.35Å; Q423-N700 VanDerWaalsContact OE1-CG 3.25Å; Q423-N700 PolarHBondContact OE1-ND2 2.84Å; Q423-N700 PolarHBondContact OE1-OD1 2.61Å; V426-N700 HydrophobicContact CG1-CB 4.1Å; V426-N700 HydrophobicContact CG2-CB 4.46Å; N696-N700 VanDerWaalsContact O-CB 3.3Å; N696-N700 WeakPolarHBondContact O-CB 3.34Å; N696-N700 PolarHBondContact O-N 2.93Å; L698-N700 VanDerWaalsContact C-N 3.3Å; L698-N700 PolarHBondContact O-N 2.77Å; N700-N704 WeakPolarHBondContact O-CB 3.5Å; N700-N704 PolarHBondContact O-N 2.81Å; N700-N704 VanDerWaalsContact O-N 3.14Å; N700-N704 PolarHBondContact O-ND2 2.91Å; N700-N704 PolarHBondContact OD1-ND2 3.16Å
701	A	92.2	Very high	91.5	Very high	54 Å²	54	49.4 Å²	49.4	45%	0.446	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-39.2	175.7	0	0	0	0	0	112.2	R697 L698 I699 R705	R697-A701 PolarHBondContact O-N 3.26Å; L698-A701 WeakPolarHBondContact O-CA 3.48Å; L698-A701 WeakPolarHBondContact O-CB 3.37Å; L698-A701 PolarHBondContact O-N 3.12Å; I699-A701 VanDerWaalsContact C-N 3.32Å; I699-A701 PolarHBondContact O-N 2.86Å; A701-R705 WeakPolarHBondContact O-CB 3.28Å; A701-R705 PolarHBondContact O-N 2.79Å
702	I	94.6	Very high	91.3	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-54.2	175.5	-71.2	167.2	0	0	0	110	F683 L687 V694 L698 I699 N704 R705 Y706 L726	F683-I702 HydrophobicContact CD1-CG2 3.84Å; F683-I702 HydrophobicContact CE1-CG2 3.26Å; F683-I702 HydrophobicContact CE2-CG2 4.34Å; F683-I702 HydrophobicContact CZ-CG2 3.55Å; L687-I702 HydrophobicContact CD1-CD1 3.88Å; V694-I702 HydrophobicContact CG1-CD1 4.41Å; V694-I702 HydrophobicContact CG2-CD1 4.28Å; L698-I702 HydrophobicContact CD1-CD1 4.33Å; L698-I702 HydrophobicContact CD1-CG1 4.36Å; L698-I702 HydrophobicContact CG-CD1 3.99Å; L698-I702 WeakPolarHBondContact O-CG1 3.27Å; L698-I702 PolarHBondContact O-N 3.46Å; I699-I702 PolarHBondContact O-N 3.05Å; I702-N704 PolarHBondContact O-N 3.18Å; I702-R705 PolarHBondContact O-N 2.95Å; I702-Y706 HydrophobicContact CB-CD2 4.46Å; I702-Y706 HydrophobicContact CG2-CD2 3.98Å; I702-Y706 WeakPolarHBondContact O-CD2 3.2Å; I702-Y706 PolarHBondContact O-N 3.35Å; I702-L726 HydrophobicContact CD1-CD1 4.03Å; I702-L726 HydrophobicContact CD1-CD2 4.13Å
703	I	92.8	Very high	91.2	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-47.3	-177.8	-71.6	168.3	0	0	0	110.9	N425 V426 F683 I699 R705 Y706 Q707	N425-I703 HydrophobicContact CB-CG2 4.26Å; N425-I703 WeakPolarHBondContact O-CD1 3.07Å; V426-I703 HydrophobicContact CB-CD1 4.04Å; V426-I703 HydrophobicContact CG1-CD1 4.22Å; V426-I703 HydrophobicContact CG2-CB 4.15Å; V426-I703 HydrophobicContact CG2-CD1 3.73Å; V426-I703 HydrophobicContact CG2-CG2 4.05Å; F683-I703 HydrophobicContact CD1-CG1 4.2Å; I699-I703 HydrophobicContact CD1-CD1 4.35Å; I699-I703 HydrophobicContact CG1-CD1 3.86Å; I699-I703 HydrophobicContact CG1-CG1 4.4Å; I699-I703 WeakPolarHBondContact O-CB 3.45Å; I699-I703 WeakPolarHBondContact O-CG1 3.47Å; I699-I703 PolarHBondContact O-N 3.42Å; I703-R705 PolarHBondContact O-N 3.41Å; I703-R705 VanDerWaalsContact O-N 3.13Å; I703-Y706 PolarHBondContact O-N 3.43Å; I703-Q707 HydrophobicContact CG2-CB 4.34Å; I703-Q707 WeakPolarHBondContact O-CB 3.42Å; I703-Q707 PolarHBondContact O-N 2.99Å
704	N	90.3	Very high	91.3	Very high	123 Å²	123	54.6 Å²	54.6	66%	0.658	30%	0.296	S	S	*	.	H	α-helix	trans	-61.4	-24.3	177.6	-77.4	-56.6	0	0	0	114.1	N700 I702	N700-N704 WeakPolarHBondContact O-CB 3.5Å; N700-N704 PolarHBondContact O-N 2.81Å; N700-N704 VanDerWaalsContact O-N 3.14Å; N700-N704 PolarHBondContact O-ND2 2.91Å; N700-N704 PolarHBondContact OD1-ND2 3.16Å; I702-N704 PolarHBondContact O-N 3.18Å
705	R	93.8	Very high	91.4	Very high	132 Å²	132	55.2 Å²	55.2	50%	0.498	30%	0.301	S	S	.	.	H	α-helix	trans	-92.4	-34.9	-175.9	-178.7	59.7	-174.7	83.1	-1.9	113.6	A701 I702 I703	A701-R705 WeakPolarHBondContact O-CB 3.28Å; A701-R705 PolarHBondContact O-N 2.79Å; I702-R705 PolarHBondContact O-N 2.95Å; I703-R705 PolarHBondContact O-N 3.41Å; I703-R705 VanDerWaalsContact O-N 3.13Å
706	Y	95.1	Very high	91.6	Very high	17 Å²	17	54.8 Å²	54.8	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-115.4	-11.5	-167.7	-64.4	-73.7	0	0	0	113.7	I702 I703 D718 L721 C722 R725	I702-Y706 HydrophobicContact CB-CD2 4.46Å; I702-Y706 HydrophobicContact CG2-CD2 3.98Å; I702-Y706 WeakPolarHBondContact O-CD2 3.2Å; I702-Y706 PolarHBondContact O-N 3.35Å; I703-Y706 PolarHBondContact O-N 3.43Å; Y706-D718 HydrophobicContact CD1-CB 4.22Å; Y706-D718 VanDerWaalsContact CD1-O 3.3Å; Y706-D718 WeakPolarHBondContact CD1-O 3.28Å; Y706-D718 WeakPolarHBondContact O-CB 3.01Å; Y706-L721 HydrophobicContact CE1-CB 4.1Å; Y706-L721 HydrophobicContact CE1-CD2 4.1Å; Y706-L721 HydrophobicContact CE1-CG 3.92Å; Y706-C722 HydrophobicContact CD1-CB 3.92Å; Y706-C722 HydrophobicContact CD2-CB 3.78Å; Y706-C722 HydrophobicContact CE1-CB 3.81Å; Y706-C722 HydrophobicContact CE2-CB 3.72Å; Y706-C722 VanDerWaalsContact CE2-SG 3.58Å; Y706-C722 HydrophobicContact CG-CB 3.89Å; Y706-R725 WeakPolarHBondContact OH-CD 3.45Å
707	Q	93.6	Very high	92.1	Very high	39 Å²	39	56.1 Å²	56.1	18%	0.182	30%	0.303	C	S	.	.	S	Bend	trans	-70.9	135.9	171	-172.4	-169.6	-63.8	0	0	111.2	N425 A680 I703 P709 T711 I714	N425-Q707 PolarHBondContact ND2-NE2 2.75Å; N425-Q707 PolarHBondContact ND2-OE1 2.92Å; A680-Q707 HydrophobicContact CB-CG 4.2Å; I703-Q707 HydrophobicContact CG2-CB 4.34Å; I703-Q707 WeakPolarHBondContact O-CB 3.42Å; I703-Q707 PolarHBondContact O-N 2.99Å; Q707-P709 WeakPolarHBondContact O-CD 3.28Å; Q707-T711 PolarHBondContact NE2-O 3.34Å; Q707-I714 HydrophobicContact CB-CD1 3.93Å; Q707-I714 HydrophobicContact CG-CD1 4.42Å
708	D	91.6	Very high	92.6	Very high	43 Å²	43	48.1 Å²	48.1	23%	0.23	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.6	119.3	173.9	-91.3	-17	0	0	0	109.7	Y677 G710 T711 K713	Y677-D708 WeakPolarHBondContact CE1-OD2 3.11Å; D708-G710 PolarHBondContact O-N 2.69Å; D708-T711 HydrophobicContact CB-CG2 4.22Å; D708-T711 WeakPolarHBondContact CB-OG1 3.29Å; D708-T711 PolarHBondContact O-N 3.37Å; D708-T711 PolarHBondContact O-OG1 3.1Å; D708-K713 PolarHBondContact N-O 2.68Å
709	P	88.9	Confident	92.9	Very high	125 Å²	125	45.7 Å²	45.7	81%	0.812	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	125.4	-173.2	-29.1	35.2	0	0	0	113.4	Q707 T711	Q707-P709 WeakPolarHBondContact O-CD 3.28Å; P709-T711 PolarHBondContact O-N 2.86Å
710	G	86	Confident	93	Very high	81 Å²	81	45.7 Å²	45.7	84%	0.835	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0.2	178.9	0	0	0	0	0	115.2	D708	D708-G710 PolarHBondContact O-N 2.69Å
711	T	89.9	Confident	93.4	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.313	26%	0.257	S	S	.	.	S	Bend	trans	-112.5	179.4	172.9	80.8	0	0	0	0	110.4	Q707 D708 P709 K713	Q707-T711 PolarHBondContact NE2-O 3.34Å; D708-T711 HydrophobicContact CB-CG2 4.22Å; D708-T711 WeakPolarHBondContact CB-OG1 3.29Å; D708-T711 PolarHBondContact O-N 3.37Å; D708-T711 PolarHBondContact O-OG1 3.1Å; P709-T711 PolarHBondContact O-N 2.86Å; T711-K713 PolarHBondContact OG1-N 3.26Å; T711-K713 VanDerWaalsContact OG1-N 3.13Å
712	D	89.8	Confident	93.6	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	24%	0.236	S	C	.	.	S	Bend	trans	-109.2	22.5	169	64.3	-23.9	0	0	0	112.1	S679 A680	S679-D712 CarbonylContact C-O 3.51Å; S679-D712 WeakPolarHBondContact CA-O 3.5Å; A680-D712 PolarHBondContact N-O 2.93Å
713	K	93.9	Very high	93.7	Very high	87 Å²	87	41.8 Å²	41.8	38%	0.378	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	149.2	-171.7	-61.7	-171.3	174.6	-161.2	0	112.4	Y677 F678 D708 T711	Y677-K713 HydrophobicContact CD1-CB 3.99Å; Y677-K713 HydrophobicContact CD1-CD 4.31Å; Y677-K713 HydrophobicContact CG-CB 4.4Å; Y677-K713 HydrophobicContact CG-CD 4.15Å; F678-K713 WeakPolarHBondContact O-CA 3.38Å; D708-K713 PolarHBondContact N-O 2.68Å; T711-K713 PolarHBondContact OG1-N 3.26Å; T711-K713 VanDerWaalsContact OG1-N 3.13Å
714	I	95.6	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.8	169.7	-55.6	-69.2	0	0	0	107.6	Y677 F678 A680 F683 Q707 F719	Y677-I714 VanDerWaalsContact CA-O 3.26Å; Y677-I714 WeakPolarHBondContact CA-O 3.4Å; F678-I714 HydrophobicContact CD2-CB 4.24Å; F678-I714 HydrophobicContact CD2-CG1 4.43Å; F678-I714 HydrophobicContact CE1-CB 4.27Å; F678-I714 HydrophobicContact CE1-CG2 4.12Å; F678-I714 HydrophobicContact CE2-CB 3.76Å; F678-I714 HydrophobicContact CE2-CG1 3.81Å; F678-I714 HydrophobicContact CE2-CG2 4.18Å; F678-I714 HydrophobicContact CZ-CB 3.78Å; F678-I714 HydrophobicContact CZ-CG1 4.19Å; F678-I714 HydrophobicContact CZ-CG2 3.7Å; F678-I714 PolarHBondContact N-O 3.17Å; F678-I714 PolarHBondContact O-N 2.7Å; A680-I714 HydrophobicContact CB-CD1 4.34Å; A680-I714 HydrophobicContact CB-CG1 4.24Å; F683-I714 HydrophobicContact CD1-CD1 3.64Å; F683-I714 HydrophobicContact CD1-CG1 3.86Å; F683-I714 HydrophobicContact CE1-CD1 3.76Å; F683-I714 HydrophobicContact CE1-CG1 4.25Å; F683-I714 HydrophobicContact CE1-CG2 4.28Å; F683-I714 HydrophobicContact CG-CG1 4.34Å; F683-I714 HydrophobicContact CZ-CG2 4.43Å; Q707-I714 HydrophobicContact CB-CD1 3.93Å; Q707-I714 HydrophobicContact CG-CD1 4.42Å; I714-F719 HydrophobicContact CG2-CB 4.06Å
715	S	95.5	Very high	94	Very high	13 Å²	13	37.3 Å²	37.3	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	157.8	175.9	79.1	0	0	0	0	111.1	E717 D718 F719	S715-E717 PolarHBondContact O-N 3.08Å; S715-E717 PolarHBondContact OG-N 3.36Å; S715-D718 PolarHBondContact O-N 3.08Å; S715-D718 PolarHBondContact OG-N 3.31Å; S715-D718 VanDerWaalsContact OG-N 3.07Å; S715-D718 PolarHBondContact OG-OD2 2.88Å; S715-F719 WeakPolarHBondContact O-CB 3.47Å; S715-F719 PolarHBondContact O-N 2.8Å
716	F	96.2	Very high	94	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-37.4	172.1	179.8	-117.2	0	0	0	112.7	I622 F625 K664 F667 G676 F719 M720	I622-F716 HydrophobicContact CB-CD1 4.07Å; I622-F716 HydrophobicContact CB-CG 4.29Å; I622-F716 HydrophobicContact CG1-CD1 3.83Å; I622-F716 HydrophobicContact CG1-CD2 4.28Å; I622-F716 HydrophobicContact CG1-CE1 3.88Å; I622-F716 HydrophobicContact CG1-CE2 4.35Å; I622-F716 HydrophobicContact CG1-CG 4.03Å; I622-F716 HydrophobicContact CG1-CZ 4.14Å; I622-F716 HydrophobicContact CG2-CB 3.79Å; I622-F716 HydrophobicContact CG2-CD1 4.21Å; I622-F716 HydrophobicContact CG2-CG 3.97Å; F625-F716 HydrophobicContact CB-CD1 4.4Å; F625-F716 AromaticContact CD1-CD1 3.75Å; F625-F716 HydrophobicContact CD1-CD1 3.75Å; F625-F716 HydrophobicContact CD1-CE1 4.02Å; F625-F716 AromaticContact CD2-CD1 3.97Å; F625-F716 HydrophobicContact CD2-CD1 3.97Å; F625-F716 AromaticContact CE1-CD1 3.91Å; F625-F716 HydrophobicContact CE1-CD1 3.91Å; F625-F716 AromaticContact CE1-CE1 3.86Å; F625-F716 HydrophobicContact CE1-CE1 3.86Å; F625-F716 HydrophobicContact CE2-CD1 4.13Å; F625-F716 AromaticContact CG-CD1 3.78Å; F625-F716 HydrophobicContact CG-CD1 3.78Å; F625-F716 HydrophobicContact CZ-CD1 4.09Å; F625-F716 HydrophobicContact CZ-CE1 4.22Å; K664-F716 HydrophobicContact CB-CE2 4.12Å; K664-F716 HydrophobicContact CB-CZ 4.1Å; K664-F716 HydrophobicContact CG-CE2 4.28Å; K664-F716 HydrophobicContact CG-CZ 4.2Å; F667-F716 HydrophobicContact CB-CD2 3.89Å; F667-F716 HydrophobicContact CB-CE2 4.12Å; F667-F716 HydrophobicContact CD1-CB 4.27Å; F667-F716 AromaticContact CD1-CD2 3.75Å; F667-F716 HydrophobicContact CD1-CD2 3.75Å; F667-F716 HydrophobicContact CD1-CG 4.38Å; F667-F716 HydrophobicContact CD2-CB 4.3Å; F667-F716 AromaticContact CD2-CD2 3.76Å; F667-F716 HydrophobicContact CD2-CD2 3.76Å; F667-F716 HydrophobicContact CE1-CB 3.88Å; F667-F716 HydrophobicContact CE1-CD2 4.24Å; F667-F716 HydrophobicContact CE1-CG 4.47Å; F667-F716 HydrophobicContact CE2-CB 3.92Å; F667-F716 HydrophobicContact CE2-CD2 4.25Å; F667-F716 HydrophobicContact CG-CB 4.48Å; F667-F716 AromaticContact CG-CD2 3.5Å; F667-F716 HydrophobicContact CG-CD2 3.5Å; F667-F716 HydrophobicContact CG-CE2 4.23Å; F667-F716 HydrophobicContact CG-CG 4.44Å; F667-F716 HydrophobicContact CZ-CB 3.7Å; F667-F716 HydrophobicContact CZ-CD2 4.47Å; G676-F716 PolarHBondContact O-N 3.11Å; F716-F719 PolarHBondContact O-N 3.42Å; F716-M720 HydrophobicContact CD1-CG 4.36Å; F716-M720 HydrophobicContact CD2-CG 4.02Å; F716-M720 HydrophobicContact CE1-CG 3.95Å; F716-M720 HydrophobicContact CE2-CG 3.55Å; F716-M720 HydrophobicContact CE2-SD 3.91Å; F716-M720 HydrophobicContact CG-CG 4.41Å; F716-M720 HydrophobicContact CZ-CG 3.52Å; F716-M720 HydrophobicContact CZ-SD 3.88Å; F716-M720 WeakPolarHBondContact O-CB 3.48Å; F716-M720 VanDerWaalsContact O-CG 3.29Å; F716-M720 WeakPolarHBondContact O-CG 3.25Å; F716-M720 PolarHBondContact O-N 2.97Å
717	E	95.3	Very high	93.9	Very high	46 Å²	46	31.3 Å²	31.3	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-48.3	178.7	-172.1	176.1	167.4	0	0	111.8	F625 N629 L632 S715 M720 L721	F625-E717 HydrophobicContact CD2-CB 4.1Å; F625-E717 HydrophobicContact CE2-CB 3.76Å; F625-E717 HydrophobicContact CE2-CG 4.07Å; N629-E717 VanDerWaalsContact CG-OE1 3.25Å; N629-E717 PolarHBondContact ND2-OE1 3.07Å; L632-E717 HydrophobicContact CD2-CG 4.33Å; S715-E717 PolarHBondContact O-N 3.08Å; S715-E717 PolarHBondContact OG-N 3.36Å; E717-M720 PolarHBondContact O-N 3.35Å; E717-L721 WeakPolarHBondContact O-CB 3.21Å; E717-L721 PolarHBondContact O-N 3.25Å
718	D	95.6	Very high	93.8	Very high	33 Å²	33	30 Å²	30	18%	0.176	18%	0.181	C	C	.	.	H	α-helix	trans	-70.9	-37	179.7	-71.8	-62.8	0	0	0	112.3	Y706 S715 L721 C722	Y706-D718 HydrophobicContact CD1-CB 4.22Å; Y706-D718 VanDerWaalsContact CD1-O 3.3Å; Y706-D718 WeakPolarHBondContact CD1-O 3.28Å; Y706-D718 WeakPolarHBondContact O-CB 3.01Å; S715-D718 PolarHBondContact O-N 3.08Å; S715-D718 PolarHBondContact OG-N 3.31Å; S715-D718 VanDerWaalsContact OG-N 3.07Å; S715-D718 PolarHBondContact OG-OD2 2.88Å; D718-L721 PolarHBondContact O-N 3.14Å; D718-C722 VanDerWaalsContact O-CB 3.32Å; D718-C722 WeakPolarHBondContact O-CB 3.47Å; D718-C722 PolarHBondContact O-N 3.05Å
719	F	96.7	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-50.3	172.7	177.3	-103.5	0	0	0	111.1	W663 I666 F667 F678 F683 A686 I714 S715 F716 L721 C722 M723	W663-F719 HydrophobicContact CB-CE1 3.96Å; W663-F719 WeakPolarHBondContact O-CE1 3.43Å; I666-F719 HydrophobicContact CG2-CZ 4.26Å; F667-F719 HydrophobicContact CB-CD1 4.06Å; F667-F719 HydrophobicContact CB-CE1 4.09Å; F667-F719 HydrophobicContact CD2-CB 3.84Å; F667-F719 AromaticContact CD2-CD1 3.72Å; F667-F719 HydrophobicContact CD2-CD1 3.72Å; F667-F719 HydrophobicContact CD2-CE1 4.45Å; F667-F719 AromaticContact CD2-CG 3.8Å; F667-F719 HydrophobicContact CD2-CG 3.8Å; F667-F719 HydrophobicContact CE2-CB 4.06Å; F667-F719 HydrophobicContact CE2-CG 4.47Å; F667-F719 HydrophobicContact CG-CD1 4.35Å; F678-F719 HydrophobicContact CE1-CB 4.25Å; F678-F719 AromaticContact CE1-CD2 3.74Å; F678-F719 HydrophobicContact CE1-CD2 3.74Å; F678-F719 HydrophobicContact CE1-CE2 4.32Å; F678-F719 HydrophobicContact CE1-CG 4.05Å; F678-F719 AromaticContact CZ-CD2 3.74Å; F678-F719 HydrophobicContact CZ-CD2 3.74Å; F678-F719 HydrophobicContact CZ-CE2 4.3Å; F678-F719 HydrophobicContact CZ-CG 4.42Å; F683-F719 HydrophobicContact CD2-CD2 4.23Å; F683-F719 HydrophobicContact CD2-CE2 4.43Å; F683-F719 AromaticContact CE2-CD2 3.61Å; F683-F719 HydrophobicContact CE2-CD2 3.61Å; F683-F719 AromaticContact CE2-CE2 3.99Å; F683-F719 HydrophobicContact CE2-CE2 3.99Å; F683-F719 HydrophobicContact CZ-CD2 4.35Å; A686-F719 HydrophobicContact CB-CE2 4.06Å; I714-F719 HydrophobicContact CG2-CB 4.06Å; S715-F719 WeakPolarHBondContact O-CB 3.47Å; S715-F719 PolarHBondContact O-N 2.8Å; F716-F719 PolarHBondContact O-N 3.42Å; F719-L721 PolarHBondContact O-N 2.97Å; F719-C722 WeakPolarHBondContact O-CB 3.5Å; F719-C722 PolarHBondContact O-N 2.85Å; F719-C722 VanDerWaalsContact O-N 3.16Å; F719-M723 HydrophobicContact CD1-CG 4.31Å; F719-M723 HydrophobicContact CD2-CE 3.86Å; F719-M723 HydrophobicContact CE1-CG 3.88Å; F719-M723 HydrophobicContact CE2-CE 3.53Å; F719-M723 HydrophobicContact CE2-CG 4.23Å; F719-M723 HydrophobicContact CE2-SD 3.97Å; F719-M723 HydrophobicContact CZ-CE 4.05Å; F719-M723 HydrophobicContact CZ-CG 3.84Å; F719-M723 HydrophobicContact CZ-SD 3.87Å; F719-M723 WeakPolarHBondContact O-CG 3.49Å; F719-M723 PolarHBondContact O-N 3.32Å
720	M	96.7	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-45.3	177	-77.3	-65	-66.2	0	0	111.9	F628 L632 M636 A660 W663 F716 E717 C722 M723 V724	F628-M720 HydrophobicContact CE1-CE 4.35Å; L632-M720 HydrophobicContact CD1-CB 4.23Å; L632-M720 HydrophobicContact CD2-CB 4.26Å; M636-M720 HydrophobicContact CE-CE 4.3Å; A660-M720 HydrophobicContact CB-CE 3.72Å; W663-M720 HydrophobicContact CB-SD 3.77Å; W663-M720 HydrophobicContact CE3-CE 3.89Å; W663-M720 HydrophobicContact CE3-SD 3.99Å; W663-M720 HydrophobicContact CZ3-CE 4.5Å; F716-M720 HydrophobicContact CD1-CG 4.36Å; F716-M720 HydrophobicContact CD2-CG 4.02Å; F716-M720 HydrophobicContact CE1-CG 3.95Å; F716-M720 HydrophobicContact CE2-CG 3.55Å; F716-M720 HydrophobicContact CE2-SD 3.91Å; F716-M720 HydrophobicContact CG-CG 4.41Å; F716-M720 HydrophobicContact CZ-CG 3.52Å; F716-M720 HydrophobicContact CZ-SD 3.88Å; F716-M720 WeakPolarHBondContact O-CB 3.48Å; F716-M720 VanDerWaalsContact O-CG 3.29Å; F716-M720 WeakPolarHBondContact O-CG 3.25Å; F716-M720 PolarHBondContact O-N 2.97Å; E717-M720 PolarHBondContact O-N 3.35Å; M720-C722 VanDerWaalsContact C-N 3.27Å; M720-C722 PolarHBondContact O-N 3.03Å; M720-M723 PolarHBondContact O-N 2.94Å; M720-V724 VanDerWaalsContact O-CG2 3.24Å; M720-V724 WeakPolarHBondContact O-CG2 3.42Å; M720-V724 PolarHBondContact O-N 3.24Å
721	L	96.3	Very high	94	Very high	13 Å²	13	23.6 Å²	23.6	7%	0.068	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-36.6	176.8	-174.4	62.2	0	0	0	112	L632 S635 Y706 E717 D718 F719 R725	L632-L721 HydrophobicContact CD1-CB 3.96Å; L632-L721 HydrophobicContact CD1-CD1 4.01Å; S635-L721 WeakPolarHBondContact OG-CD1 3.4Å; Y706-L721 HydrophobicContact CE1-CB 4.1Å; Y706-L721 HydrophobicContact CE1-CD2 4.1Å; Y706-L721 HydrophobicContact CE1-CG 3.92Å; E717-L721 WeakPolarHBondContact O-CB 3.21Å; E717-L721 PolarHBondContact O-N 3.25Å; D718-L721 PolarHBondContact O-N 3.14Å; F719-L721 PolarHBondContact O-N 2.97Å; L721-R725 WeakPolarHBondContact O-CB 3.37Å; L721-R725 WeakPolarHBondContact O-CG 3.44Å; L721-R725 PolarHBondContact O-N 3.27Å
722	C	96.5	Very high	93.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-49.9	174.4	-174.3	0	0	0	0	111.7	F683 Y706 D718 F719 M720 V724 R725 L726	F683-C722 HydrophobicContact CZ-CB 3.95Å; Y706-C722 HydrophobicContact CD1-CB 3.92Å; Y706-C722 HydrophobicContact CD2-CB 3.78Å; Y706-C722 HydrophobicContact CE1-CB 3.81Å; Y706-C722 HydrophobicContact CE2-CB 3.72Å; Y706-C722 VanDerWaalsContact CE2-SG 3.58Å; Y706-C722 HydrophobicContact CG-CB 3.89Å; D718-C722 VanDerWaalsContact O-CB 3.32Å; D718-C722 WeakPolarHBondContact O-CB 3.47Å; D718-C722 PolarHBondContact O-N 3.05Å; F719-C722 WeakPolarHBondContact O-CB 3.5Å; F719-C722 PolarHBondContact O-N 2.85Å; F719-C722 VanDerWaalsContact O-N 3.16Å; M720-C722 VanDerWaalsContact C-N 3.27Å; M720-C722 PolarHBondContact O-N 3.03Å; C722-V724 PolarHBondContact O-N 3.19Å; C722-R725 PolarHBondContact O-N 2.89Å; C722-L726 WeakPolarHBondContact O-CB 3.42Å; C722-L726 WeakPolarHBondContact O-CG 3.36Å; C722-L726 PolarHBondContact O-N 2.85Å
723	M	96.8	Very high	93.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-46.3	-179.4	-66.9	-46.6	99.4	0	0	112	W663 F683 L687 A690 Y692 F719 M720 R725 L726 K727	W663-M723 HydrophobicContact CB-CG 4.17Å; W663-M723 HydrophobicContact CD2-CB 3.42Å; W663-M723 VanDerWaalsContact CD2-CB 3.42Å; W663-M723 HydrophobicContact CD2-CG 3.78Å; W663-M723 HydrophobicContact CE3-CB 3.64Å; W663-M723 HydrophobicContact CE3-CG 4.33Å; W663-M723 HydrophobicContact CG-CB 3.91Å; W663-M723 HydrophobicContact CG-CG 3.67Å; W663-M723 HydrophobicContact CH2-CB 4.1Å; W663-M723 HydrophobicContact CZ2-CB 3.9Å; W663-M723 HydrophobicContact CZ3-CB 3.98Å; F683-M723 HydrophobicContact CE2-CE 3.95Å; L687-M723 HydrophobicContact CD2-CE 3.21Å; L687-M723 HydrophobicContact CD2-SD 3.98Å; L687-M723 HydrophobicContact CG-CE 4.39Å; A690-M723 HydrophobicContact CB-SD 4.06Å; Y692-M723 HydrophobicContact CD2-SD 3.94Å; Y692-M723 HydrophobicContact CE2-SD 3.9Å; F719-M723 HydrophobicContact CD1-CG 4.31Å; F719-M723 HydrophobicContact CD2-CE 3.86Å; F719-M723 HydrophobicContact CE1-CG 3.88Å; F719-M723 HydrophobicContact CE2-CE 3.53Å; F719-M723 HydrophobicContact CE2-CG 4.23Å; F719-M723 HydrophobicContact CE2-SD 3.97Å; F719-M723 HydrophobicContact CZ-CE 4.05Å; F719-M723 HydrophobicContact CZ-CG 3.84Å; F719-M723 HydrophobicContact CZ-SD 3.87Å; F719-M723 WeakPolarHBondContact O-CG 3.49Å; F719-M723 PolarHBondContact O-N 3.32Å; M720-M723 PolarHBondContact O-N 2.94Å; M723-R725 VanDerWaalsContact C-N 3.32Å; M723-R725 PolarHBondContact O-N 3.29Å; M723-L726 HydrophobicContact CE-CD1 4.29Å; M723-L726 PolarHBondContact O-N 2.94Å; M723-K727 WeakPolarHBondContact O-CB 3.47Å; M723-K727 PolarHBondContact O-N 2.77Å
724	V	95.2	Very high	93.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-44.8	177.9	170.2	0	0	0	0	111	S635 M636 W663 M720 C722 T728	S635-V724 WeakPolarHBondContact O-CG1 3.47Å; M636-V724 HydrophobicContact CG-CG1 4.16Å; M636-V724 HydrophobicContact CG-CG2 3.65Å; W663-V724 HydrophobicContact CE3-CG2 4.49Å; W663-V724 HydrophobicContact CH2-CG2 4.18Å; W663-V724 HydrophobicContact CZ3-CG2 3.59Å; M720-V724 VanDerWaalsContact O-CG2 3.24Å; M720-V724 WeakPolarHBondContact O-CG2 3.42Å; M720-V724 PolarHBondContact O-N 3.24Å; C722-V724 PolarHBondContact O-N 3.19Å; V724-T728 PolarHBondContact O-N 3.08Å; V724-T728 VanDerWaalsContact O-N 3.17Å; V724-T728 PolarHBondContact O-OG1 2.99Å
725	R	94.5	Very high	92.6	Very high	32 Å²	32	29.7 Å²	29.7	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-72.1	-37.3	179.8	-76	178.7	162	173.6	9.7	113.2	E631 Y706 L721 C722 M723 T728 A729 I758	E631-R725 IonicContact OE1-CZ 3.46Å; E631-R725 IonicContact OE1-NH2 2.71Å; E631-R725 PolarHBondContact OE1-NH2 3.24Å; Y706-R725 WeakPolarHBondContact OH-CD 3.45Å; L721-R725 WeakPolarHBondContact O-CB 3.37Å; L721-R725 WeakPolarHBondContact O-CG 3.44Å; L721-R725 PolarHBondContact O-N 3.27Å; C722-R725 PolarHBondContact O-N 2.89Å; M723-R725 VanDerWaalsContact C-N 3.32Å; M723-R725 PolarHBondContact O-N 3.29Å; R725-T728 PolarHBondContact O-N 2.87Å; R725-A729 WeakPolarHBondContact O-CB 3.37Å; R725-A729 PolarHBondContact O-N 3.09Å; R725-I758 HydrophobicContact CB-CG2 3.89Å; R725-I758 HydrophobicContact CG-CG2 3.89Å; R725-I758 VanDerWaalsContact CZ-O 3.27Å; R725-I758 PolarHBondContact NE-O 3.21Å; R725-I758 PolarHBondContact NH2-O 2.73Å
726	L	94.4	Very high	91.9	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-45.7	174.9	-76.7	176.8	0	0	0	111	L687 Y692 I702 C722 M723 T728 A729 F730	L687-L726 HydrophobicContact CD2-CD1 3.51Å; Y692-L726 HydrophobicContact CD1-CB 4.37Å; Y692-L726 HydrophobicContact CE1-CB 4.14Å; Y692-L726 HydrophobicContact CG-CD1 4.46Å; I702-L726 HydrophobicContact CD1-CD1 4.03Å; I702-L726 HydrophobicContact CD1-CD2 4.13Å; C722-L726 WeakPolarHBondContact O-CB 3.42Å; C722-L726 WeakPolarHBondContact O-CG 3.36Å; C722-L726 PolarHBondContact O-N 2.85Å; M723-L726 HydrophobicContact CE-CD1 4.29Å; M723-L726 PolarHBondContact O-N 2.94Å; L726-T728 PolarHBondContact O-N 2.88Å; L726-A729 PolarHBondContact O-N 3.49Å; L726-F730 HydrophobicContact CB-CD2 4.39Å; L726-F730 HydrophobicContact CD2-CE2 4.24Å; L726-F730 WeakPolarHBondContact O-CB 3.24Å; L726-F730 VanDerWaalsContact O-CD2 3.26Å; L726-F730 WeakPolarHBondContact O-CD2 3.35Å; L726-F730 PolarHBondContact O-N 2.91Å
727	K	93.3	Very high	91.2	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-49.9	-57.7	172.5	-179.1	-161.8	-179.2	-74.1	0	110.7	S639 W663 Y692 M723 A729 F730 E731	S639-K727 PolarHBondContact O-NZ 2.99Å; W663-K727 HydrophobicContact CH2-CB 4.47Å; W663-K727 HydrophobicContact CH2-CD 4.2Å; W663-K727 HydrophobicContact CZ2-CB 4.46Å; Y692-K727 WeakPolarHBondContact OH-CA 3.39Å; Y692-K727 WeakPolarHBondContact OH-CB 3.39Å; M723-K727 WeakPolarHBondContact O-CB 3.47Å; M723-K727 PolarHBondContact O-N 2.77Å; K727-A729 VanDerWaalsContact C-N 3.3Å; K727-A729 PolarHBondContact O-N 3.35Å; K727-F730 PolarHBondContact O-N 2.74Å; K727-E731 WeakPolarHBondContact CE-OE1 3.27Å; K727-E731 HydrophobicContact CG-CG 4.46Å; K727-E731 WeakPolarHBondContact CG-OE1 3.43Å; K727-E731 IonicContact NZ-OE1 3.78Å; K727-E731 PolarHBondContact NZ-OE1 3.16Å; K727-E731 IonicContact NZ-OE2 2.72Å; K727-E731 PolarHBondContact NZ-OE2 2.83Å; K727-E731 WeakPolarHBondContact O-CB 3.38Å; K727-E731 WeakPolarHBondContact O-CG 3.45Å; K727-E731 PolarHBondContact O-N 3.06Å
728	T	90.6	Very high	90.6	Very high	11 Å²	11	37.6 Å²	37.6	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-56.8	-44.7	179.9	-50.6	0	0	0	0	111.4	S639 V724 R725 L726 T732 I758	S639-T728 VanDerWaalsContact CA-OG1 3.24Å; S639-T728 WeakPolarHBondContact CA-OG1 3.21Å; S639-T728 WeakPolarHBondContact CB-OG1 3.29Å; V724-T728 PolarHBondContact O-N 3.08Å; V724-T728 VanDerWaalsContact O-N 3.17Å; V724-T728 PolarHBondContact O-OG1 2.99Å; R725-T728 PolarHBondContact O-N 2.87Å; L726-T728 PolarHBondContact O-N 2.88Å; T728-T732 WeakPolarHBondContact O-CB 3.44Å; T728-T732 PolarHBondContact O-N 3.36Å; T728-T732 PolarHBondContact O-OG1 3.12Å; T728-I758 HydrophobicContact CG2-CD1 4.4Å; T728-I758 HydrophobicContact CG2-CG1 3.77Å
729	A	91.5	Very high	89.9	Confident	22 Å²	22	38.8 Å²	38.8	18%	0.182	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-47.6	-179.8	0	0	0	0	0	112.7	R725 L726 K727 I733 F754 I758	R725-A729 WeakPolarHBondContact O-CB 3.37Å; R725-A729 PolarHBondContact O-N 3.09Å; L726-A729 PolarHBondContact O-N 3.49Å; K727-A729 VanDerWaalsContact C-N 3.3Å; K727-A729 PolarHBondContact O-N 3.35Å; A729-I733 WeakPolarHBondContact O-CB 3.32Å; A729-I733 VanDerWaalsContact O-CG1 3.25Å; A729-I733 WeakPolarHBondContact O-CG1 3.32Å; A729-I733 PolarHBondContact O-N 3.25Å; A729-F754 HydrophobicContact CB-CZ 4.23Å; A729-I758 HydrophobicContact CB-CD1 3.83Å
730	F	91.5	Very high	89.1	Confident	28 Å²	28	47.5 Å²	47.5	12%	0.123	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-49.9	-179.5	-86.1	-72	0	0	0	112	N564 N566 Y692 V694 L726 K727 T732 I733 E734	N564-F730 HydrophobicContact CB-CE1 4.18Å; N564-F730 HydrophobicContact CB-CZ 4.27Å; N566-F730 HydrophobicContact CB-CB 3.95Å; N566-F730 HydrophobicContact CB-CD1 3.96Å; N566-F730 HydrophobicContact CB-CD2 4.1Å; N566-F730 HydrophobicContact CB-CE1 4.48Å; N566-F730 HydrophobicContact CB-CG 3.75Å; Y692-F730 AromaticContact CD1-CD2 3.63Å; Y692-F730 HydrophobicContact CD1-CD2 3.63Å; Y692-F730 AromaticContact CD1-CE2 3.6Å; Y692-F730 HydrophobicContact CD1-CE2 3.6Å; Y692-F730 AromaticContact CE1-CD2 3.73Å; Y692-F730 HydrophobicContact CE1-CD2 3.73Å; Y692-F730 HydrophobicContact CE1-CE2 4.19Å; V694-F730 HydrophobicContact CG1-CE2 4.45Å; V694-F730 HydrophobicContact CG1-CZ 4.37Å; L726-F730 HydrophobicContact CB-CD2 4.39Å; L726-F730 HydrophobicContact CD2-CE2 4.24Å; L726-F730 WeakPolarHBondContact O-CB 3.24Å; L726-F730 VanDerWaalsContact O-CD2 3.26Å; L726-F730 WeakPolarHBondContact O-CD2 3.35Å; L726-F730 PolarHBondContact O-N 2.91Å; K727-F730 PolarHBondContact O-N 2.74Å; F730-T732 VanDerWaalsContact C-N 3.28Å; F730-T732 PolarHBondContact O-N 2.66Å; F730-I733 PolarHBondContact O-N 3.31Å; F730-E734 WeakPolarHBondContact O-CB 3.22Å; F730-E734 PolarHBondContact O-N 3.08Å
731	E	88.4	Confident	88.3	Confident	65 Å²	65	54.2 Å²	54.2	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-41.3	178.4	-71.7	175.4	173.2	0	0	111.2	K727 E734 A735	K727-E731 WeakPolarHBondContact CE-OE1 3.27Å; K727-E731 HydrophobicContact CG-CG 4.46Å; K727-E731 WeakPolarHBondContact CG-OE1 3.43Å; K727-E731 IonicContact NZ-OE1 3.78Å; K727-E731 PolarHBondContact NZ-OE1 3.16Å; K727-E731 IonicContact NZ-OE2 2.72Å; K727-E731 PolarHBondContact NZ-OE2 2.83Å; K727-E731 WeakPolarHBondContact O-CB 3.38Å; K727-E731 WeakPolarHBondContact O-CG 3.45Å; K727-E731 PolarHBondContact O-N 3.06Å; E731-E734 PolarHBondContact O-N 3.24Å; E731-A735 WeakPolarHBondContact O-CB 3.42Å; E731-A735 PolarHBondContact O-N 3.44Å
732	T	84.8	Confident	87.3	Confident	34 Å²	34	55.8 Å²	55.8	21%	0.209	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-45.8	177.5	-59.4	0	0	0	0	111.5	T728 F730 E734 A735 H736 F754	T728-T732 WeakPolarHBondContact O-CB 3.44Å; T728-T732 PolarHBondContact O-N 3.36Å; T728-T732 PolarHBondContact O-OG1 3.12Å; F730-T732 VanDerWaalsContact C-N 3.28Å; F730-T732 PolarHBondContact O-N 2.66Å; T732-E734 VanDerWaalsContact C-N 3.27Å; T732-E734 PolarHBondContact O-N 3.47Å; T732-A735 PolarHBondContact O-N 2.86Å; T732-H736 WeakPolarHBondContact CG2-CE1 3.36Å; T732-H736 WeakPolarHBondContact CG2-ND1 3.14Å; T732-H736 PolarHBondContact O-N 3.31Å; T732-H736 PolarHBondContact O-ND1 3.09Å; T732-F754 VanDerWaalsContact CB-CE2 3.49Å; T732-F754 HydrophobicContact CG2-CD2 3.43Å; T732-F754 VanDerWaalsContact CG2-CD2 3.43Å; T732-F754 HydrophobicContact CG2-CE2 3.41Å; T732-F754 VanDerWaalsContact CG2-CE2 3.41Å
733	I	85	Confident	86.5	Confident	73 Å²	73	59.5 Å²	59.5	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-38	177.8	-73.6	168.1	0	0	0	111.2	A729 F730 S744 F746	A729-I733 WeakPolarHBondContact O-CB 3.32Å; A729-I733 VanDerWaalsContact O-CG1 3.25Å; A729-I733 WeakPolarHBondContact O-CG1 3.32Å; A729-I733 PolarHBondContact O-N 3.25Å; F730-I733 PolarHBondContact O-N 3.31Å; I733-S744 PolarHBondContact O-OG 2.98Å; I733-F746 HydrophobicContact CG1-CZ 4.45Å
734	E	85.5	Confident	85.5	Confident	141 Å²	141	60.8 Å²	60.8	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-65.4	-43.9	177.6	-173.8	171.6	-170.6	0	0	112	F730 E731 T732	F730-E734 WeakPolarHBondContact O-CB 3.22Å; F730-E734 PolarHBondContact O-N 3.08Å; E731-E734 PolarHBondContact O-N 3.24Å; T732-E734 VanDerWaalsContact C-N 3.27Å; T732-E734 PolarHBondContact O-N 3.47Å
735	A	83.4	Confident	84.8	Confident	86 Å²	86	65.3 Å²	65.3	71%	0.711	36%	0.362	S	S	*	.	H	α-helix	trans	-73.5	-22.1	178.9	0	0	0	0	0	114	E731 T732	E731-A735 WeakPolarHBondContact O-CB 3.42Å; E731-A735 PolarHBondContact O-N 3.44Å; T732-A735 PolarHBondContact O-N 2.86Å
736	H	82	Confident	84.2	Confident	27 Å²	27	67.6 Å²	67.6	13%	0.125	37%	0.373	C	S	.	.	S	Bend	trans	-67.7	142.9	-178.2	-91.5	69.8	0	0	0	112.5	T732 K738 F746	T732-H736 WeakPolarHBondContact CG2-CE1 3.36Å; T732-H736 WeakPolarHBondContact CG2-ND1 3.14Å; T732-H736 PolarHBondContact O-N 3.31Å; T732-H736 PolarHBondContact O-ND1 3.09Å; H736-K738 PolarHBondContact O-N 3.27Å; H736-F746 AromaticContact CD2-CD1 3.68Å; H736-F746 AromaticContact CD2-CE1 3.42Å; H736-F746 VanDerWaalsContact CD2-CE1 3.42Å; H736-F746 WeakPolarHBondContact CD2-CE1 3.34Å; H736-F746 AromaticContact CE1-CE1 3.86Å; H736-F746 AromaticContact CG-CE1 3.85Å; H736-F746 AromaticContact NE2-CD1 3.73Å; H736-F746 AromaticContact NE2-CE1 3.44Å; H736-F746 WeakPolarHBondContact NE2-CE1 3.45Å
737	P	82.2	Confident	83.8	Confident	92 Å²	92	69.5 Å²	69.5	60%	0.597	39%	0.388	S	S	*	.			trans	-55.5	135.1	175.8	-24.8	33.9	0	0	0	112.1	L745	P737-L745 PolarHBondContact O-N 3.45Å
738	K	82.2	Confident	83.6	Confident	108 Å²	108	72.9 Å²	72.9	47%	0.47	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-108.9	147	179.1	-65.4	169	-172.2	164.5	0	110.5	H736 T743	H736-K738 PolarHBondContact O-N 3.27Å; K738-T743 CarbonylContact C-O 3.47Å; K738-T743 VanDerWaalsContact CA-O 3.3Å; K738-T743 WeakPolarHBondContact CA-O 3.34Å
739	N	81.4	Confident	83.5	Confident	58 Å²	58	79.2 Å²	79.2	31%	0.31	45%	0.446	S	S	.	.			trans	-73.6	179	168.1	72.7	6.2	0	0	0	111.2	E741 G742 T743 L745	N739-E741 PolarHBondContact O-N 2.97Å; N739-E741 VanDerWaalsContact O-N 3.11Å; N739-E741 WeakPolarHBondContact OD1-CA 3.48Å; N739-E741 WeakPolarHBondContact OD1-CB 3.48Å; N739-E741 PolarHBondContact OD1-N 2.83Å; N739-G742 PolarHBondContact O-N 2.75Å; N739-G742 PolarHBondContact OD1-N 2.66Å; N739-G742 VanDerWaalsContact OD1-N 3.12Å; N739-T743 PolarHBondContact N-O 2.96Å; N739-T743 WeakPolarHBondContact OD1-CB 2.92Å; N739-T743 PolarHBondContact OD1-N 2.99Å; N739-L745 HydrophobicContact CB-CD1 4.14Å; N739-L745 HydrophobicContact CB-CD2 4.22Å; N739-L745 HydrophobicContact CB-CG 4.27Å
740	I	79.8	Confident	83.1	Confident	184 Å²	184	80.1 Å²	80.1	94%	0.944	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23	179.3	-60.5	170.2	0	0	0	112.3	G742	I740-G742 VanDerWaalsContact C-N 3.33Å
741	E	78	Confident	82.9	Confident	141 Å²	141	85.4 Å²	85.4	66%	0.659	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.8	178.1	-57.3	-178.6	172.2	0	0	113.3	N739	N739-E741 PolarHBondContact O-N 2.97Å; N739-E741 VanDerWaalsContact O-N 3.11Å; N739-E741 WeakPolarHBondContact OD1-CA 3.48Å; N739-E741 WeakPolarHBondContact OD1-CB 3.48Å; N739-E741 PolarHBondContact OD1-N 2.83Å
742	G	76.3	Confident	82.9	Confident	46 Å²	46	87.5 Å²	87.5	47%	0.474	48%	0.481	S	S	.	.	S	Bend	trans	84.1	9.6	-177.1	0	0	0	0	0	114.7	N739 I740	N739-G742 PolarHBondContact O-N 2.75Å; N739-G742 PolarHBondContact OD1-N 2.66Å; N739-G742 VanDerWaalsContact OD1-N 3.12Å; I740-G742 VanDerWaalsContact C-N 3.33Å
743	T	80	Confident	82.8	Confident	77 Å²	77	91.7 Å²	91.7	47%	0.472	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-85.3	129.1	-179.5	-52.2	0	0	0	0	110.5	K738 N739	K738-T743 CarbonylContact C-O 3.47Å; K738-T743 VanDerWaalsContact CA-O 3.3Å; K738-T743 WeakPolarHBondContact CA-O 3.34Å; N739-T743 PolarHBondContact N-O 2.96Å; N739-T743 WeakPolarHBondContact OD1-CB 2.92Å; N739-T743 PolarHBondContact OD1-N 2.99Å
744	S	76.5	Confident	82.7	Confident	27 Å²	27	90.3 Å²	90.3	19%	0.189	48%	0.484	C	S	.	.	B	Isolated β-bridge	trans	-63	134.6	176.5	-53.3	0	0	0	0	111.5	I733	I733-S744 PolarHBondContact O-OG 2.98Å
745	L	80.5	Confident	82.7	Confident	96 Å²	96	86.1 Å²	86.1	50%	0.503	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-102.2	122	179.6	-64.7	171.5	0	0	0	109.2	P737 N739	P737-L745 PolarHBondContact O-N 3.45Å; N739-L745 HydrophobicContact CB-CD1 4.14Å; N739-L745 HydrophobicContact CB-CD2 4.22Å; N739-L745 HydrophobicContact CB-CG 4.27Å
746	F	80.2	Confident	82.7	Confident	79 Å²	79	87.9 Å²	87.9	35%	0.346	47%	0.473	S	S	.	.			trans	-114.4	131.3	173.8	-67.9	-88.8	0	0	0	109.8	I733 H736 D750	I733-F746 HydrophobicContact CG1-CZ 4.45Å; H736-F746 AromaticContact CD2-CD1 3.68Å; H736-F746 AromaticContact CD2-CE1 3.42Å; H736-F746 VanDerWaalsContact CD2-CE1 3.42Å; H736-F746 WeakPolarHBondContact CD2-CE1 3.34Å; H736-F746 AromaticContact CE1-CE1 3.86Å; H736-F746 AromaticContact CG-CE1 3.85Å; H736-F746 AromaticContact NE2-CD1 3.73Å; H736-F746 AromaticContact NE2-CE1 3.44Å; H736-F746 WeakPolarHBondContact NE2-CE1 3.45Å; F746-D750 HydrophobicContact CD1-CB 4.21Å
747	S	86.3	Confident	82.4	Confident	55 Å²	55	90.4 Å²	90.4	39%	0.385	48%	0.481	S	S	.	.			trans	-74.8	165.2	158.2	74.7	0	0	0	0	110.1	E749 D750 Y751	S747-E749 PolarHBondContact O-N 3.18Å; S747-E749 PolarHBondContact OG-N 3.35Å; S747-D750 VanDerWaalsContact CB-OD2 3.29Å; S747-D750 WeakPolarHBondContact CB-OD2 3.07Å; S747-D750 PolarHBondContact N-OD2 2.97Å; S747-D750 PolarHBondContact O-N 2.94Å; S747-D750 PolarHBondContact OG-N 3.3Å; S747-D750 PolarHBondContact OG-OD2 3.23Å; S747-Y751 WeakPolarHBondContact O-CB 3.35Å; S747-Y751 PolarHBondContact O-N 3.2Å
748	A	88.9	Confident	81.8	Confident	81 Å²	81	88.4 Å²	88.4	67%	0.669	47%	0.465	S	S	*	.	H	α-helix	trans	-58.9	-36.2	173.9	0	0	0	0	0	111.7	L752	A748-L752 WeakPolarHBondContact O-CB 2.96Å; A748-L752 VanDerWaalsContact O-CG 3.22Å; A748-L752 WeakPolarHBondContact O-CG 3.37Å; A748-L752 PolarHBondContact O-N 2.79Å
749	E	88.5	Confident	81.8	Confident	143 Å²	143	87.5 Å²	87.5	67%	0.668	47%	0.465	S	S	*	.	H	α-helix	trans	-70	-44.4	177.3	-173.8	175.9	171.6	0	0	111.8	S747 Y751 L752 R753	S747-E749 PolarHBondContact O-N 3.18Å; S747-E749 PolarHBondContact OG-N 3.35Å; E749-Y751 VanDerWaalsContact C-N 3.32Å; E749-Y751 PolarHBondContact O-N 3.04Å; E749-L752 PolarHBondContact O-N 2.95Å; E749-R753 WeakPolarHBondContact O-CB 3.44Å; E749-R753 PolarHBondContact O-N 3.41Å
750	D	84.6	Confident	81.8	Confident	42 Å²	42	89 Å²	89	23%	0.225	47%	0.473	C	S	.	.	H	α-helix	trans	-60.5	-44	176.8	-63.6	-50.1	0	0	0	111.2	F746 S747 R753 F754	F746-D750 HydrophobicContact CD1-CB 4.21Å; S747-D750 VanDerWaalsContact CB-OD2 3.29Å; S747-D750 WeakPolarHBondContact CB-OD2 3.07Å; S747-D750 PolarHBondContact N-OD2 2.97Å; S747-D750 PolarHBondContact O-N 2.94Å; S747-D750 PolarHBondContact OG-N 3.3Å; S747-D750 PolarHBondContact OG-OD2 3.23Å; D750-R753 PolarHBondContact O-N 3.12Å; D750-R753 IonicContact OD1-CZ 3.25Å; D750-R753 IonicContact OD1-NH1 2.74Å; D750-R753 PolarHBondContact OD1-NH1 3.49Å; D750-R753 IonicContact OD1-NH2 3.24Å; D750-R753 PolarHBondContact OD1-NH2 2.86Å; D750-F754 WeakPolarHBondContact O-CB 3.27Å; D750-F754 PolarHBondContact O-N 2.68Å
751	Y	86	Confident	82	Confident	139 Å²	139	83.7 Å²	83.7	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-61.6	-47.1	176.8	179.6	-94.1	0	0	0	111.8	S747 E749 F754 S755	S747-Y751 WeakPolarHBondContact O-CB 3.35Å; S747-Y751 PolarHBondContact O-N 3.2Å; E749-Y751 VanDerWaalsContact C-N 3.32Å; E749-Y751 PolarHBondContact O-N 3.04Å; Y751-F754 PolarHBondContact O-N 3.32Å; Y751-S755 VanDerWaalsContact O-CB 3.3Å; Y751-S755 WeakPolarHBondContact O-CB 3.26Å; Y751-S755 PolarHBondContact O-N 3.01Å; Y751-S755 PolarHBondContact O-OG 2.86Å
752	L	89	Confident	82.2	Confident	109 Å²	109	80.4 Å²	80.4	57%	0.571	44%	0.435	S	S	*	.	H	α-helix	trans	-63.4	-45.9	178.9	-73.5	171.3	0	0	0	111.4	A748 E749 F754 S755 V756	A748-L752 WeakPolarHBondContact O-CB 2.96Å; A748-L752 VanDerWaalsContact O-CG 3.22Å; A748-L752 WeakPolarHBondContact O-CG 3.37Å; A748-L752 PolarHBondContact O-N 2.79Å; E749-L752 PolarHBondContact O-N 2.95Å; L752-F754 PolarHBondContact O-N 3.5Å; L752-S755 PolarHBondContact O-N 3.39Å; L752-S755 PolarHBondContact O-OG 2.7Å; L752-V756 WeakPolarHBondContact O-CG2 3.44Å; L752-V756 PolarHBondContact O-N 3.01Å
753	R	82.5	Confident	82.6	Confident	122 Å²	122	82.5 Å²	82.5	46%	0.46	43%	0.432	S	S	.	.	H	α-helix	trans	-57.7	-49	176.4	-175.5	178.8	68.4	-130.6	-8.6	110.9	E749 D750 V756 Y757	E749-R753 WeakPolarHBondContact O-CB 3.44Å; E749-R753 PolarHBondContact O-N 3.41Å; D750-R753 PolarHBondContact O-N 3.12Å; D750-R753 IonicContact OD1-CZ 3.25Å; D750-R753 IonicContact OD1-NH1 2.74Å; D750-R753 PolarHBondContact OD1-NH1 3.49Å; D750-R753 IonicContact OD1-NH2 3.24Å; D750-R753 PolarHBondContact OD1-NH2 2.86Å; R753-V756 PolarHBondContact O-N 2.99Å; R753-Y757 WeakPolarHBondContact O-CB 3.32Å; R753-Y757 PolarHBondContact O-N 3.1Å
754	F	82.7	Confident	82.7	Confident	43 Å²	43	82.9 Å²	82.9	19%	0.189	43%	0.43	C	S	.	.	H	α-helix	trans	-59.4	-48.7	178	176	-108.5	0	0	0	112.4	A729 T732 D750 Y751 L752 V756 Y757 I758	A729-F754 HydrophobicContact CB-CZ 4.23Å; T732-F754 VanDerWaalsContact CB-CE2 3.49Å; T732-F754 HydrophobicContact CG2-CD2 3.43Å; T732-F754 VanDerWaalsContact CG2-CD2 3.43Å; T732-F754 HydrophobicContact CG2-CE2 3.41Å; T732-F754 VanDerWaalsContact CG2-CE2 3.41Å; D750-F754 WeakPolarHBondContact O-CB 3.27Å; D750-F754 PolarHBondContact O-N 2.68Å; Y751-F754 PolarHBondContact O-N 3.32Å; L752-F754 PolarHBondContact O-N 3.5Å; F754-V756 PolarHBondContact O-N 3.23Å; F754-Y757 PolarHBondContact O-N 2.82Å; F754-I758 HydrophobicContact CD1-CD1 4.25Å; F754-I758 HydrophobicContact CD2-CD1 3.64Å; F754-I758 HydrophobicContact CD2-CG1 4.35Å; F754-I758 HydrophobicContact CE1-CD1 3.71Å; F754-I758 HydrophobicContact CE2-CD1 3.04Å; F754-I758 HydrophobicContact CE2-CG1 4.12Å; F754-I758 HydrophobicContact CG-CD1 4.24Å; F754-I758 HydrophobicContact CZ-CD1 3.09Å; F754-I758 HydrophobicContact CZ-CG1 4.46Å; F754-I758 PolarHBondContact O-N 3.15Å
755	S	84.9	Confident	83.2	Confident	54 Å²	54	86.9 Å²	86.9	38%	0.378	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-18.6	-175.9	68.4	0	0	0	0	115	Y751 L752	Y751-S755 VanDerWaalsContact O-CB 3.3Å; Y751-S755 WeakPolarHBondContact O-CB 3.26Å; Y751-S755 PolarHBondContact O-N 3.01Å; Y751-S755 PolarHBondContact O-OG 2.86Å; L752-S755 PolarHBondContact O-N 3.39Å; L752-S755 PolarHBondContact O-OG 2.7Å
756	V	84.6	Confident	83.4	Confident	123 Å²	123	86.2 Å²	86.2	75%	0.745	44%	0.443	S	S	*	.	H	α-helix	trans	-95.5	-26.6	178.9	173.5	0	0	0	0	111.6	L752 R753 F754	L752-V756 WeakPolarHBondContact O-CG2 3.44Å; L752-V756 PolarHBondContact O-N 3.01Å; R753-V756 PolarHBondContact O-N 2.99Å; F754-V756 PolarHBondContact O-N 3.23Å
757	Y	74.8	Confident	83.7	Confident	79 Å²	79	86.8 Å²	86.8	31%	0.31	45%	0.451	S	S	.	.	H	α-helix	trans	-91.7	-19.8	-172.8	-156	-104.2	0	0	0	113.3	A638 D641 L644 R753 F754	A638-Y757 HydrophobicContact CB-CD1 3.9Å; A638-Y757 HydrophobicContact CB-CE1 3.55Å; A638-Y757 HydrophobicContact CB-CE2 4.41Å; A638-Y757 HydrophobicContact CB-CG 4.48Å; A638-Y757 WeakPolarHBondContact CB-O 3.22Å; A638-Y757 VanDerWaalsContact O-CE1 3.28Å; A638-Y757 WeakPolarHBondContact O-CE1 3.4Å; D641-Y757 WeakPolarHBondContact CB-OH 3.27Å; D641-Y757 VanDerWaalsContact CG-OH 3.32Å; D641-Y757 PolarHBondContact O-OH 3.36Å; D641-Y757 PolarHBondContact OD2-OH 3.18Å; L644-Y757 HydrophobicContact CD2-CD1 4.18Å; L644-Y757 HydrophobicContact CD2-CD2 4.07Å; L644-Y757 HydrophobicContact CD2-CE1 3.63Å; L644-Y757 HydrophobicContact CD2-CE2 3.53Å; L644-Y757 HydrophobicContact CD2-CG 4.37Å; R753-Y757 WeakPolarHBondContact O-CB 3.32Å; R753-Y757 PolarHBondContact O-N 3.1Å; F754-Y757 PolarHBondContact O-N 2.82Å
758	I	71.2	Confident	83.4	Confident	51 Å²	51	89.6 Å²	89.6	26%	0.262	46%	0.456	S	S	.	.			trans	-84.8	0	164.8	-66.3	175.5	0	0	0	109.3	R725 T728 A729 F754	R725-I758 HydrophobicContact CB-CG2 3.89Å; R725-I758 HydrophobicContact CG-CG2 3.89Å; R725-I758 VanDerWaalsContact CZ-O 3.27Å; R725-I758 PolarHBondContact NE-O 3.21Å; R725-I758 PolarHBondContact NH2-O 2.73Å; T728-I758 HydrophobicContact CG2-CD1 4.4Å; T728-I758 HydrophobicContact CG2-CG1 3.77Å; A729-I758 HydrophobicContact CB-CD1 3.83Å; F754-I758 HydrophobicContact CD1-CD1 4.25Å; F754-I758 HydrophobicContact CD2-CD1 3.64Å; F754-I758 HydrophobicContact CD2-CG1 4.35Å; F754-I758 HydrophobicContact CE1-CD1 3.71Å; F754-I758 HydrophobicContact CE2-CD1 3.04Å; F754-I758 HydrophobicContact CE2-CG1 4.12Å; F754-I758 HydrophobicContact CG-CD1 4.24Å; F754-I758 HydrophobicContact CZ-CD1 3.09Å; F754-I758 HydrophobicContact CZ-CG1 4.46Å; F754-I758 PolarHBondContact O-N 3.15Å

Retrieved 758 of 758 residues in 183.8 ms (Link to these results)

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