A0A077ZK47_TRITR Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZK47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 356 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	33.8	Very low	35.8	Very low	220 Å²	220	160.4 Å²	160.4	100%	1.084	83%	0.834	S	S	*	*				0	125.2	0	-69.3	177.7	71.1	0	0	106.6
2	D	40.8	Very low	35.6	Very low	122 Å²	122	159.8 Å²	159.8	65%	0.652	83%	0.832	S	S	*	*			cis	-142.7	148.2	5.7	-81.9	-44.5	0	0	0	112.7
3	V	35.9	Very low	35.4	Very low	150 Å²	150	164.3 Å²	164.3	91%	0.909	84%	0.841	S	S	*	*	S	Bend	trans	-103.6	5.7	172.6	172.8	0	0	0	0	110.9
4	L	38.2	Very low	35.1	Very low	156 Å²	156	158.9 Å²	158.9	82%	0.817	83%	0.826	S	S	*	*			trans	-136	34.1	-162.2	-106.4	164.9	0	0	0	115.9
5	L	37.4	Very low	34.9	Very low	140 Å²	140	154.2 Å²	154.2	73%	0.733	82%	0.819	S	S	*	*	S	Bend	trans	-130.8	93.1	167.4	-149	66.7	0	0	0	114.7
6	K	35	Very low	34.7	Very low	166 Å²	166	149.9 Å²	149.9	72%	0.722	81%	0.812	S	S	*	*			trans	79.1	69.7	149.4	-62.6	173.4	-175.7	177.6	0	118	F8	K6-F8 HydrophobicContact CB-CB 4.43Å; K6-F8 PolarHBondContact O-N 3.47Å
7	L	35.3	Very low	34.5	Very low	179 Å²	179	147.8 Å²	147.8	94%	0.937	81%	0.805	S	S	*	*			trans	-67.4	56.9	143.7	-151.8	164.6	0	0	0	110.3
8	F	33.5	Very low	34.2	Very low	176 Å²	176	148.8 Å²	148.8	77%	0.772	81%	0.809	S	S	*	*			trans	-136.3	134.9	-174.8	-107.4	-87.4	0	0	0	112.6	K6	K6-F8 HydrophobicContact CB-CB 4.43Å; K6-F8 PolarHBondContact O-N 3.47Å
9	I	39.3	Very low	33.9	Very low	165 Å²	165	146.5 Å²	146.5	85%	0.846	80%	0.8	S	S	*	*	S	Bend	trans	74	53.7	175.4	-38.4	169.9	0	0	0	114.1
10	L	33.1	Very low	33.6	Very low	167 Å²	167	145.1 Å²	145.1	87%	0.874	80%	0.799	S	S	*	*	S	Bend	trans	-139	54.3	156.9	-134	169.5	0	0	0	110.4
11	C	31.3	Very low	33.4	Very low	123 Å²	123	144.2 Å²	144.2	83%	0.831	79%	0.793	S	S	*	*			trans	-176	93.2	165.7	-108.4	0	0	0	0	108.5
12	L	33.4	Very low	33.2	Very low	153 Å²	153	142.7 Å²	142.7	80%	0.801	78%	0.783	S	S	*	*			trans	-174.5	61.5	152.1	-99.4	169	0	0	0	107.6	S14	L12-S14 WeakPolarHBondContact CD2-OG 3.45Å; L12-S14 PolarHBondContact O-N 2.95Å
13	F	32.6	Very low	32.7	Very low	219 Å²	219	142.9 Å²	142.9	96%	0.961	78%	0.784	S	S	*	*			trans	-68.3	78.7	150.1	-87.3	-85.5	0	0	0	106.4	A15	F13-A15 PolarHBondContact O-N 3.36Å
14	S	31.8	Very low	32.7	Very low	89 Å²	89	142 Å²	142	62%	0.622	78%	0.779	S	S	*	*			trans	-63.5	93.1	165.1	-60.6	0	0	0	0	106.3	L12 A16	L12-S14 WeakPolarHBondContact CD2-OG 3.45Å; L12-S14 PolarHBondContact O-N 2.95Å; S14-A16 PolarHBondContact O-N 3.39Å
15	A	31.7	Very low	32.7	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	77%	0.773	S	S	*	*			trans	-59.2	92.6	158.2	0	0	0	0	0	105.6	F13 T17	F13-A15 PolarHBondContact O-N 3.36Å; A15-T17 PolarHBondContact O-N 3.08Å
16	A	31.7	Very low	32.9	Very low	85 Å²	85	136.9 Å²	136.9	70%	0.702	76%	0.764	S	S	*	*			trans	-63.7	90.7	169.7	0	0	0	0	0	105.8	S14 L18	S14-A16 PolarHBondContact O-N 3.39Å; A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 PolarHBondContact O-N 3.42Å
17	T	32.5	Very low	33.3	Very low	114 Å²	114	134.1 Å²	134.1	70%	0.699	76%	0.761	S	S	*	*			trans	-55.8	102.7	161	47.1	0	0	0	0	105.3	A15 T19	A15-T17 PolarHBondContact O-N 3.08Å; T17-T19 PolarHBondContact O-N 3.18Å
18	L	29.2	Very low	34.1	Very low	166 Å²	166	127.5 Å²	127.5	87%	0.869	73%	0.726	S	S	*	*			trans	-62.4	78.1	161.8	-78.5	154.1	0	0	0	106.5	A16 P20	A16-L18 VanDerWaalsContact C-N 3.27Å; A16-L18 PolarHBondContact O-N 3.42Å; L18-P20 WeakPolarHBondContact O-CD 3.41Å
19	T	27.6	Very low	34.9	Very low	105 Å²	105	121.2 Å²	121.2	64%	0.644	70%	0.703	S	S	*	*			trans	-55.5	113.1	153.3	45.9	0	0	0	0	104.7	T17 N21	T17-T19 PolarHBondContact O-N 3.18Å; T19-N21 PolarHBondContact O-N 3.24Å
20	P	28.4	Very low	35.7	Very low	118 Å²	118	114.2 Å²	114.2	77%	0.766	67%	0.668	S	S	*	*			trans	-55.8	131.3	174.2	-19.9	32.8	0	0	0	107.2	L18 E22	L18-P20 WeakPolarHBondContact O-CD 3.41Å; P20-E22 PolarHBondContact O-N 2.88Å
21	N	29.2	Very low	36.3	Very low	128 Å²	128	107 Å²	107	68%	0.684	63%	0.631	S	S	*	*			trans	-51.8	128.5	178.7	-89.4	12.5	0	0	0	109.2	T19 D23	T19-N21 PolarHBondContact O-N 3.24Å; N21-D23 HydrophobicContact CB-CB 4.44Å; N21-D23 PolarHBondContact O-N 2.85Å
22	E	28.8	Very low	36.9	Very low	187 Å²	187	109 Å²	109	87%	0.874	62%	0.623	S	S	*	*	S	Bend	trans	-74	12.5	179.5	-149	160.3	-142.9	0	0	112.2	P20 T24	P20-E22 PolarHBondContact O-N 2.88Å; E22-T24 VanDerWaalsContact C-N 3.29Å; E22-T24 PolarHBondContact O-N 2.84Å
23	D	31.1	Very low	37.5	Very low	126 Å²	126	103.1 Å²	103.1	67%	0.674	59%	0.591	S	S	*	*			trans	-73.9	76	167.6	-68.1	-46.6	0	0	0	110.6	N21 P25	N21-D23 HydrophobicContact CB-CB 4.44Å; N21-D23 PolarHBondContact O-N 2.85Å; D23-P25 WeakPolarHBondContact O-CD 3.3Å
24	T	35.2	Very low	37.8	Very low	132 Å²	132	97.2 Å²	97.2	81%	0.81	57%	0.573	S	S	*	*			trans	-111.2	56.4	166.6	-26.3	0	0	0	0	114.7	E22	E22-T24 VanDerWaalsContact C-N 3.29Å; E22-T24 PolarHBondContact O-N 2.84Å
25	P	38.8	Very low	38.3	Very low	105 Å²	105	95.9 Å²	95.9	68%	0.682	56%	0.563	S	S	*	*			trans	-89.3	154.8	164.6	37.1	-33.5	0	0	0	111.9	D23	D23-P25 WeakPolarHBondContact O-CD 3.3Å
26	P	40.7	Very low	38.6	Very low	83 Å²	83	94.4 Å²	94.4	54%	0.539	55%	0.551	S	S	.	*			cis	-121.4	150.3	-44.4	36.5	-25.3	0	0	0	112
27	T	43.8	Very low	39.1	Very low	108 Å²	108	92 Å²	92	66%	0.663	53%	0.53	S	S	*	.			trans	-84.2	172.7	160.3	53.8	0	0	0	0	109.6
28	D	53.4	Low	39.9	Very low	40 Å²	40	88.1 Å²	88.1	21%	0.214	50%	0.503	C	S	.	.	S	Bend	cis	-148.6	105.3	14	-0.4	-97.9	0	0	0	110.9	Y236 D238 R262	D28-Y236 CarbonylContact C-O 3.52Å; D28-D238 HydrophobicContact CB-CB 4.26Å; D28-D238 PolarHBondContact O-N 2.95Å; D28-R262 IonicContact OD2-CZ 3.93Å; D28-R262 IonicContact OD2-NH1 2.75Å; D28-R262 PolarHBondContact OD2-NH1 3.1Å
29	T	50.3	Low	40.9	Very low	45 Å²	45	81.2 Å²	81.2	28%	0.276	47%	0.467	S	S	.	.			cis	-146.3	-169.9	-5.8	70.3	0	0	0	0	111.1	R42 D238	T29-R42 PolarHBondContact O-NH2 2.78Å; T29-D238 HydrophobicContact CG2-CB 3.89Å; T29-D238 WeakPolarHBondContact CG2-OD2 3.28Å; T29-D238 PolarHBondContact OG1-OD2 2.89Å
30	C	55.8	Low	42.3	Very low	18 Å²	18	76.3 Å²	76.3	12%	0.122	44%	0.438	C	S	.	.			trans	179.9	99.3	159.6	-85.9	0	0	0	0	105.6	R42 C48	C30-R42 HydrophobicContact CB-CB 4.29Å; C30-C48 HydrophobicContact CB-CB 4.02Å; C30-C48 WeakPolarHBondContact CB-SG 3.42Å; C30-C48 WeakPolarHBondContact SG-CB 3.15Å; C30-C48 CovalentContact SG-SG 2.04Å; C30-C48 PolarHBondContact SG-SG 2.89Å
31	P	45.6	Very low	43.8	Very low	15 Å²	15	72.1 Å²	72.1	10%	0.097	41%	0.407	C	S	.	.	S	Bend		-151.7	46.3	107.6	41.3	-23.3	0	0	0	113.5	G40 F100	P31-G40 CarbonylContact C-O 3.53Å; P31-G40 VanDerWaalsContact CA-O 3.23Å; P31-G40 WeakPolarHBondContact CA-O 3.44Å; P31-G40 WeakPolarHBondContact CB-O 3.46Å; P31-F100 HydrophobicContact CB-CE1 4.24Å; P31-F100 HydrophobicContact CB-CZ 3.83Å; P31-F100 HydrophobicContact CG-CZ 4.14Å
32	Y	43.8	Very low	45.2	Very low	165 Å²	165	69 Å²	69	65%	0.647	39%	0.386	S	S	*	.			trans	-122.4	18.3	-177	-67.6	-65.3	0	0	0	114.8	V34	Y32-V34 PolarHBondContact O-N 2.76Å
33	E	46.4	Very low	46.5	Very low	29 Å²	29	62.4 Å²	62.4	14%	0.136	36%	0.357	C	S	.	.			trans	-72.5	72	156.7	-70.7	-170.3	158	0	0	109.2	H38 L39 G40 T50 Y73 Y236 F268	E33-H38 CarbonylContact O-C 3.52Å; E33-H38 VanDerWaalsContact O-O 3.08Å; E33-L39 WeakPolarHBondContact O-CA 3.33Å; E33-G40 PolarHBondContact O-N 3.06Å; E33-T50 WeakPolarHBondContact OE2-CB 3.31Å; E33-T50 VanDerWaalsContact OE2-CG2 3.27Å; E33-T50 WeakPolarHBondContact OE2-CG2 3.34Å; E33-T50 PolarHBondContact OE2-OG1 2.89Å; E33-Y73 WeakPolarHBondContact OE2-CE1 3.42Å; E33-Y236 WeakPolarHBondContact OE1-CE2 3.21Å; E33-F268 HydrophobicContact CG-CD1 4.28Å; E33-F268 WeakPolarHBondContact OE1-CD1 3.46Å; E33-F268 VanDerWaalsContact OE1-CG 3.24Å; E33-F268 WeakPolarHBondContact OE1-CG 3.39Å
34	V	38	Very low	47.8	Very low	96 Å²	96	61.2 Å²	61.2	58%	0.582	36%	0.364	S	S	*	.	B	Isolated β-bridge	trans	-113.1	91.2	170.6	-175.2	0	0	0	0	107	Y32 L39	Y32-V34 PolarHBondContact O-N 2.76Å; V34-L39 HydrophobicContact CG2-CD1 4.45Å
35	S	43.1	Very low	49.1	Very low	60 Å²	60	60.8 Å²	60.8	42%	0.42	36%	0.357	S	S	.	.	S	Bend	trans	-98.1	178.4	159.8	61.9	0	0	0	0	108.6	S37 H38	S35-S37 PolarHBondContact O-N 2.74Å; S35-S37 PolarHBondContact OG-N 2.92Å; S35-S37 PolarHBondContact OG-OG 2.77Å; S35-H38 PolarHBondContact OG-N 3.26Å; S35-H38 PolarHBondContact OG-ND1 3.2Å
36	A	37.7	Very low	50.4	Low	57 Å²	57	57 Å²	57	47%	0.471	34%	0.338	S	S	.	.	S	Bend	trans	-54.5	-20.3	169.1	0	0	0	0	0	113.8	E204 F209	A36-E204 VanDerWaalsContact CB-OE2 3.27Å; A36-E204 WeakPolarHBondContact CB-OE2 3.28Å; A36-F209 HydrophobicContact CB-CE1 3.94Å; A36-F209 HydrophobicContact CB-CZ 3.62Å
37	S	41.5	Very low	51.8	Low	36 Å²	36	57.2 Å²	57.2	25%	0.252	33%	0.33	S	S	.	.	S	Bend	trans	-120.8	-9	-166.1	41.4	0	0	0	0	115.8	S35 N56	S35-S37 PolarHBondContact O-N 2.74Å; S35-S37 PolarHBondContact OG-N 2.92Å; S35-S37 PolarHBondContact OG-OG 2.77Å; S37-N56 WeakPolarHBondContact CA-ND2 3.3Å; S37-N56 WeakPolarHBondContact CB-ND2 3.4Å; S37-N56 PolarHBondContact O-ND2 2.76Å
38	H	48.6	Very low	53.3	Low	32 Å²	32	52 Å²	52	15%	0.148	30%	0.298	C	S	.	.			trans	-137.8	148.4	-173.3	-53.6	77.8	0	0	0	111.8	E33 S35 T50 F51 Y68	E33-H38 CarbonylContact O-C 3.52Å; E33-H38 VanDerWaalsContact O-O 3.08Å; S35-H38 PolarHBondContact OG-N 3.26Å; S35-H38 PolarHBondContact OG-ND1 3.2Å; H38-T50 HydrophobicContact CB-CG2 3.99Å; H38-F51 WeakPolarHBondContact CA-O 3.41Å; H38-Y68 PolarHBondContact NE2-OH 3.33Å
39	L	50.7	Low	54	Low	20 Å²	20	52 Å²	52	11%	0.105	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	103.9	174.6	173.6	70.3	0	0	0	110.2	E33 V34 T50 F51 F91 I102	E33-L39 WeakPolarHBondContact O-CA 3.33Å; V34-L39 HydrophobicContact CG2-CD1 4.45Å; L39-T50 WeakPolarHBondContact O-CA 3.2Å; L39-F51 HydrophobicContact CB-CB 4.13Å; L39-F51 PolarHBondContact N-O 3.41Å; L39-F51 PolarHBondContact O-N 2.03Å; L39-F91 HydrophobicContact CD2-CE1 3.97Å; L39-F91 HydrophobicContact CD2-CZ 3.84Å; L39-I102 HydrophobicContact CD2-CD1 4.02Å; L39-I102 HydrophobicContact CD2-CG1 3.86Å
40	G	57.9	Low	55	Low	3 Å²	3	50 Å²	50	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.9	175.6	0	0	0	0	0	114.2	P31 E33 R49 T50	P31-G40 CarbonylContact C-O 3.53Å; P31-G40 VanDerWaalsContact CA-O 3.23Å; P31-G40 WeakPolarHBondContact CA-O 3.44Å; P31-G40 WeakPolarHBondContact CB-O 3.46Å; E33-G40 PolarHBondContact O-N 3.06Å; G40-R49 CarbonylContact C-O 3.6Å; G40-R49 WeakPolarHBondContact CA-O 3.16Å; G40-T50 WeakPolarHBondContact CA-OG1 3.43Å
41	F	58.6	Low	55.4	Low	30 Å²	30	49.8 Å²	49.8	13%	0.132	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	170.7	167.2	70.1	-92.8	0	0	0	111.9	C48 R49 F230	F41-C48 CarbonylContact O-C 3.48Å; F41-C48 WeakPolarHBondContact O-CA 2.99Å; F41-R49 HydrophobicContact CD1-CB 4.11Å; F41-R49 HydrophobicContact CD2-CB 4.21Å; F41-R49 HydrophobicContact CD2-CG 4.34Å; F41-R49 HydrophobicContact CE1-CB 3.76Å; F41-R49 HydrophobicContact CE1-CG 4.46Å; F41-R49 HydrophobicContact CE2-CB 3.83Å; F41-R49 HydrophobicContact CE2-CG 3.72Å; F41-R49 HydrophobicContact CG-CB 4.33Å; F41-R49 HydrophobicContact CZ-CB 3.6Å; F41-R49 HydrophobicContact CZ-CG 3.8Å; F41-R49 PolarHBondContact N-O 2.82Å; F41-R49 PolarHBondContact O-N 3.37Å; F41-F230 HydrophobicContact CD1-CE1 4.27Å; F41-F230 HydrophobicContact CE1-CD1 4.13Å; F41-F230 AromaticContact CE1-CE1 3.46Å; F41-F230 HydrophobicContact CE1-CE1 3.46Å; F41-F230 VanDerWaalsContact CE1-CE1 3.46Å; F41-F230 HydrophobicContact CE1-CE2 4.46Å; F41-F230 AromaticContact CE1-CZ 3.67Å; F41-F230 HydrophobicContact CE1-CZ 3.67Å; F41-F230 HydrophobicContact CZ-CE1 4.33Å; F41-F230 HydrophobicContact CZ-CZ 4.31Å
42	R	59.7	Low	56.5	Low	61 Å²	61	49 Å²	49	23%	0.23	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.4	173.5	-173.1	174.4	-66.6	-123.7	8.5	110.1	T29 C30 G46 P235	T29-R42 PolarHBondContact O-NH2 2.78Å; C30-R42 HydrophobicContact CB-CB 4.29Å; R42-G46 PolarHBondContact NH1-O 3.2Å; R42-P235 VanDerWaalsContact NH1-CG 3.26Å
43	D	56.5	Low	57.4	Low	50 Å²	50	42.6 Å²	42.6	27%	0.267	25%	0.253	S	S	.	.			trans	-82.8	168.9	-179.8	-148.4	-21.1	0	0	0	111.5	D45 G46 K47 R49	D43-D45 PolarHBondContact O-N 3.44Å; D43-G46 PolarHBondContact O-N 2.97Å; D43-K47 PolarHBondContact N-O 2.78Å; D43-R49 HydrophobicContact CB-CG 4.06Å; D43-R49 IonicContact OD2-CZ 3.5Å; D43-R49 IonicContact OD2-NE 3.69Å; D43-R49 PolarHBondContact OD2-NE 3Å; D43-R49 IonicContact OD2-NH2 2.73Å; D43-R49 PolarHBondContact OD2-NH2 2.84Å
44	A	58.1	Low	58.2	Low	100 Å²	100	43 Å²	43	83%	0.826	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.7	178.1	0	0	0	0	0	112.8	G46	A44-G46 PolarHBondContact O-N 2.93Å; A44-G46 VanDerWaalsContact O-N 3.12Å
45	D	63	Low	59.3	Low	124 Å²	124	45.5 Å²	45.5	66%	0.663	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	4.3	175.1	-56.1	-29.2	0	0	0	113.7	D43 K47	D43-D45 PolarHBondContact O-N 3.44Å; D45-K47 PolarHBondContact O-N 2.81Å; D45-K47 VanDerWaalsContact O-N 3.11Å
46	G	65.8	Low	60	Low	26 Å²	26	46.7 Å²	46.7	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	75.1	-8.2	-177.7	0	0	0	0	0	115.4	R42 D43 A44	R42-G46 PolarHBondContact NH1-O 3.2Å; D43-G46 PolarHBondContact O-N 2.97Å; A44-G46 PolarHBondContact O-N 2.93Å; A44-G46 VanDerWaalsContact O-N 3.12Å
47	K	69.8	Low	61.5	Low	86 Å²	86	44.6 Å²	44.6	37%	0.374	25%	0.25	S	C	.	.			trans	-71.9	150.4	173.9	-67.8	-72.1	176.8	174.2	0	111.8	D43 D45 D234	D43-K47 PolarHBondContact N-O 2.78Å; D45-K47 PolarHBondContact O-N 2.81Å; D45-K47 VanDerWaalsContact O-N 3.11Å; K47-D234 IonicContact NZ-OD1 3.55Å; K47-D234 PolarHBondContact NZ-OD1 2.8Å
48	C	74.3	Confident	63	Low	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	149.4	172.7	-56.2	0	0	0	0	111	C30 F41 S232 H233	C30-C48 HydrophobicContact CB-CB 4.02Å; C30-C48 WeakPolarHBondContact CB-SG 3.42Å; C30-C48 WeakPolarHBondContact SG-CB 3.15Å; C30-C48 CovalentContact SG-SG 2.04Å; C30-C48 PolarHBondContact SG-SG 2.89Å; F41-C48 CarbonylContact O-C 3.48Å; F41-C48 WeakPolarHBondContact O-CA 2.99Å; C48-S232 WeakPolarHBondContact O-CA 3.1Å; C48-H233 WeakPolarHBondContact CB-CE1 3.02Å; C48-H233 VanDerWaalsContact CB-NE2 3.31Å; C48-H233 WeakPolarHBondContact CB-NE2 3.32Å; C48-H233 PolarHBondContact N-O 3.26Å; C48-H233 PolarHBondContact O-N 3.19Å
49	R	68.9	Low	63.9	Low	40 Å²	40	49.3 Å²	49.3	15%	0.151	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117	175.7	-55	-66.2	-165.1	-160.1	-0.1	108	G40 F41 D43 F230 C231 S232	G40-R49 CarbonylContact C-O 3.6Å; G40-R49 WeakPolarHBondContact CA-O 3.16Å; F41-R49 HydrophobicContact CD1-CB 4.11Å; F41-R49 HydrophobicContact CD2-CB 4.21Å; F41-R49 HydrophobicContact CD2-CG 4.34Å; F41-R49 HydrophobicContact CE1-CB 3.76Å; F41-R49 HydrophobicContact CE1-CG 4.46Å; F41-R49 HydrophobicContact CE2-CB 3.83Å; F41-R49 HydrophobicContact CE2-CG 3.72Å; F41-R49 HydrophobicContact CG-CB 4.33Å; F41-R49 HydrophobicContact CZ-CB 3.6Å; F41-R49 HydrophobicContact CZ-CG 3.8Å; F41-R49 PolarHBondContact N-O 2.82Å; F41-R49 PolarHBondContact O-N 3.37Å; D43-R49 HydrophobicContact CB-CG 4.06Å; D43-R49 IonicContact OD2-CZ 3.5Å; D43-R49 IonicContact OD2-NE 3.69Å; D43-R49 PolarHBondContact OD2-NE 3Å; D43-R49 IonicContact OD2-NH2 2.73Å; D43-R49 PolarHBondContact OD2-NH2 2.84Å; R49-F230 HydrophobicContact CB-CD1 4.25Å; R49-C231 CarbonylContact C-O 3.44Å; R49-C231 VanDerWaalsContact CA-O 3.28Å; R49-C231 WeakPolarHBondContact CA-O 3.5Å; R49-S232 VanDerWaalsContact NH1-CB 3.32Å; R49-S232 PolarHBondContact NH1-OG 2.91Å
50	T	71.3	Confident	64.8	Low	1 Å²	1	52.9 Å²	52.9	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.5	174.3	-65.3	0	0	0	0	111.3	E33 H38 L39 G40 Y73 F230 C231 H233	E33-T50 WeakPolarHBondContact OE2-CB 3.31Å; E33-T50 VanDerWaalsContact OE2-CG2 3.27Å; E33-T50 WeakPolarHBondContact OE2-CG2 3.34Å; E33-T50 PolarHBondContact OE2-OG1 2.89Å; H38-T50 HydrophobicContact CB-CG2 3.99Å; L39-T50 WeakPolarHBondContact O-CA 3.2Å; G40-T50 WeakPolarHBondContact CA-OG1 3.43Å; T50-Y73 HydrophobicContact CG2-CE1 3.98Å; T50-Y73 WeakPolarHBondContact CG2-OH 3.36Å; T50-F230 WeakPolarHBondContact O-CA 3.46Å; T50-C231 PolarHBondContact N-O 2.99Å; T50-C231 PolarHBondContact O-N 2.85Å; T50-H233 PolarHBondContact OG1-NE2 2.83Å
51	F	65	Low	65.2	Low	14 Å²	14	55.9 Å²	55.9	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	134.1	173	-179.7	-108.5	0	0	0	110.3	H38 L39 T53 L82 L87 F229 F230	H38-F51 WeakPolarHBondContact CA-O 3.41Å; L39-F51 HydrophobicContact CB-CB 4.13Å; L39-F51 PolarHBondContact N-O 3.41Å; L39-F51 PolarHBondContact O-N 2.03Å; F51-T53 HydrophobicContact CE1-CG2 3.72Å; F51-T53 HydrophobicContact CZ-CG2 4Å; F51-L82 HydrophobicContact CD2-CD1 4.09Å; F51-L82 HydrophobicContact CE2-CD1 4.04Å; F51-L87 HydrophobicContact CE2-CD1 4.18Å; F51-F229 WeakPolarHBondContact CA-O 3.23Å; F51-F230 HydrophobicContact CB-CD1 4.05Å; F51-F230 HydrophobicContact CB-CE1 3.67Å; F51-F230 HydrophobicContact CD2-CE1 4.32Å; F51-F230 HydrophobicContact CG-CE1 4.47Å
52	S	68	Low	65.3	Low	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.4	164	-166.3	0	0	0	0	109.9	Y68 G228 F229	S52-Y68 PolarHBondContact OG-OH 2.93Å; S52-G228 CarbonylContact O-C 3.57Å; S52-G228 WeakPolarHBondContact O-CA 3.27Å; S52-F229 PolarHBondContact N-O 2.88Å; S52-F229 PolarHBondContact O-N 3.43Å
53	T	63	Low	66	Low	30 Å²	30	60.9 Å²	60.9	18%	0.184	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	158.9	169.6	66.4	0	0	0	0	110.3	F51 D55 N56 A57 L227	F51-T53 HydrophobicContact CE1-CG2 3.72Å; F51-T53 HydrophobicContact CZ-CG2 4Å; T53-D55 VanDerWaalsContact C-N 3.31Å; T53-D55 PolarHBondContact O-N 2.92Å; T53-N56 PolarHBondContact O-N 3.34Å; T53-N56 VanDerWaalsContact OG1-CB 3.26Å; T53-N56 WeakPolarHBondContact OG1-CB 3.08Å; T53-N56 PolarHBondContact OG1-N 2.92Å; T53-N56 VanDerWaalsContact OG1-N 3.12Å; T53-N56 PolarHBondContact OG1-ND2 3.48Å; T53-N56 VanDerWaalsContact OG1-ND2 3.15Å; T53-A57 WeakPolarHBondContact O-CB 3.43Å; T53-A57 PolarHBondContact O-N 3.03Å; T53-A57 VanDerWaalsContact O-N 3.11Å; T53-L227 CarbonylContact C-O 3.56Å; T53-L227 VanDerWaalsContact CA-O 3.23Å; T53-L227 WeakPolarHBondContact CA-O 3.28Å; T53-L227 WeakPolarHBondContact CB-O 3.36Å
54	M	62.1	Low	66.9	Low	37 Å²	37	59.8 Å²	59.8	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-57.2	-45.1	174.2	-72.7	-176.6	70.4	0	0	112.1	A57 N58 V59 W226 L227	M54-A57 PolarHBondContact O-N 2.92Å; M54-N58 WeakPolarHBondContact O-CA 3.35Å; M54-N58 PolarHBondContact O-N 2.87Å; M54-V59 HydrophobicContact CB-CG2 4.39Å; M54-V59 WeakPolarHBondContact CE-O 3Å; M54-V59 HydrophobicContact CG-CG2 4.29Å; M54-V59 PolarHBondContact O-N 3.36Å; M54-W226 HydrophobicContact CE-CH2 4Å; M54-W226 HydrophobicContact CE-CZ2 3.65Å; M54-W226 HydrophobicContact CG-CD2 4.31Å; M54-W226 HydrophobicContact CG-CE3 3.89Å; M54-W226 HydrophobicContact CG-CH2 4Å; M54-W226 HydrophobicContact CG-CZ2 4.4Å; M54-W226 HydrophobicContact CG-CZ3 3.73Å; M54-W226 HydrophobicContact SD-CD2 3.76Å; M54-W226 HydrophobicContact SD-CE3 3.97Å; M54-W226 HydrophobicContact SD-CG 4.33Å; M54-W226 HydrophobicContact SD-CH2 4.09Å; M54-W226 HydrophobicContact SD-CZ2 3.88Å; M54-W226 HydrophobicContact SD-CZ3 4.14Å; M54-L227 PolarHBondContact N-O 3.46Å
55	D	61.5	Low	67.5	Low	149 Å²	149	55 Å²	55	80%	0.797	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-45.2	-179.3	-63.2	-22.5	0	0	0	112.4	T53 A57 N58	T53-D55 VanDerWaalsContact C-N 3.31Å; T53-D55 PolarHBondContact O-N 2.92Å; D55-A57 VanDerWaalsContact C-N 3.29Å; D55-A57 PolarHBondContact O-N 3.47Å; D55-N58 PolarHBondContact O-N 2.74Å
56	N	58.3	Low	68.2	Low	84 Å²	84	52.6 Å²	52.6	45%	0.449	29%	0.294	S	S	.	.	H	α-helix	trans	-69	-29.6	-179.2	-69.2	-17.2	0	0	0	112.3	S37 T53	S37-N56 WeakPolarHBondContact CA-ND2 3.3Å; S37-N56 WeakPolarHBondContact CB-ND2 3.4Å; S37-N56 PolarHBondContact O-ND2 2.76Å; T53-N56 PolarHBondContact O-N 3.34Å; T53-N56 VanDerWaalsContact OG1-CB 3.26Å; T53-N56 WeakPolarHBondContact OG1-CB 3.08Å; T53-N56 PolarHBondContact OG1-N 2.92Å; T53-N56 VanDerWaalsContact OG1-N 3.12Å; T53-N56 PolarHBondContact OG1-ND2 3.48Å; T53-N56 VanDerWaalsContact OG1-ND2 3.15Å
57	A	69.3	Low	68.8	Low	14 Å²	14	58.6 Å²	58.6	12%	0.116	31%	0.308	C	S	.	.	H	α-helix	trans	-87.6	-12.6	175	0	0	0	0	0	113.7	T53 M54 D55 V59 Y68 F229	T53-A57 WeakPolarHBondContact O-CB 3.43Å; T53-A57 PolarHBondContact O-N 3.03Å; T53-A57 VanDerWaalsContact O-N 3.11Å; M54-A57 PolarHBondContact O-N 2.92Å; D55-A57 VanDerWaalsContact C-N 3.29Å; D55-A57 PolarHBondContact O-N 3.47Å; A57-V59 VanDerWaalsContact C-N 3.32Å; A57-V59 HydrophobicContact CB-CB 4.46Å; A57-V59 HydrophobicContact CB-CG1 3.89Å; A57-V59 HydrophobicContact CB-CG2 3.89Å; A57-V59 PolarHBondContact O-N 3.5Å; A57-Y68 HydrophobicContact CB-CD1 4.07Å; A57-Y68 HydrophobicContact CB-CD2 3.55Å; A57-Y68 HydrophobicContact CB-CE1 4.01Å; A57-Y68 HydrophobicContact CB-CE2 3.47Å; A57-Y68 VanDerWaalsContact CB-CE2 3.47Å; A57-Y68 HydrophobicContact CB-CG 3.85Å; A57-F229 HydrophobicContact CB-CE1 3.96Å; A57-F229 HydrophobicContact CB-CZ 3.69Å
58	N	73.2	Confident	69.3	Low	154 Å²	154	56 Å²	56	82%	0.824	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	46.6	-169.8	-171.7	46.4	0	0	0	112.6	M54 D55	M54-N58 WeakPolarHBondContact O-CA 3.35Å; M54-N58 PolarHBondContact O-N 2.87Å; D55-N58 PolarHBondContact O-N 2.74Å
59	V	67.6	Low	69.6	Low	13 Å²	13	56 Å²	56	8%	0.079	30%	0.297	C	S	.	.			trans	-115.8	142.6	-178.9	-59.9	0	0	0	0	111.4	M54 A57 S64 A65 Y68 W226 F229	M54-V59 HydrophobicContact CB-CG2 4.39Å; M54-V59 WeakPolarHBondContact CE-O 3Å; M54-V59 HydrophobicContact CG-CG2 4.29Å; M54-V59 PolarHBondContact O-N 3.36Å; A57-V59 VanDerWaalsContact C-N 3.32Å; A57-V59 HydrophobicContact CB-CB 4.46Å; A57-V59 HydrophobicContact CB-CG1 3.89Å; A57-V59 HydrophobicContact CB-CG2 3.89Å; A57-V59 PolarHBondContact O-N 3.5Å; V59-S64 WeakPolarHBondContact CG1-O 3.03Å; V59-A65 HydrophobicContact CG2-CB 4.2Å; V59-Y68 HydrophobicContact CG1-CG 4.46Å; V59-W226 HydrophobicContact CG2-CH2 4.14Å; V59-W226 HydrophobicContact CG2-CZ3 4.38Å; V59-F229 HydrophobicContact CG2-CD1 4.48Å; V59-F229 HydrophobicContact CG2-CE1 3.59Å; V59-F229 HydrophobicContact CG2-CZ 3.98Å
60	S	69.5	Low	70.2	Confident	94 Å²	94	56.9 Å²	56.9	66%	0.657	31%	0.313	S	S	*	.			trans	-122.9	-7.4	-179.5	58.9	0	0	0	0	113.7	S64	S60-S64 PolarHBondContact N-OG 3.25Å
61	T	66.5	Low	70.6	Confident	66 Å²	66	64.1 Å²	64.1	41%	0.405	35%	0.346	S	S	.	.	S	Bend	trans	-139.8	160.5	-175.1	66.3	0	0	0	0	111	D63 S64 A65	T61-D63 VanDerWaalsContact C-N 3.32Å; T61-D63 PolarHBondContact O-N 2.88Å; T61-S64 PolarHBondContact N-OG 3.17Å; T61-S64 PolarHBondContact O-N 2.81Å; T61-S64 PolarHBondContact O-OG 2.03Å; T61-S64 WeakPolarHBondContact OG1-CB 3.07Å; T61-S64 PolarHBondContact OG1-N 2.03Å; T61-S64 VanDerWaalsContact OG1-N 3.15Å; T61-S64 PolarHBondContact OG1-OG 2.04Å; T61-A65 PolarHBondContact O-N 3.08Å
62	L	60.8	Low	71.1	Confident	73 Å²	73	67.2 Å²	67.2	38%	0.382	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-40	176.6	-57.3	-175.6	0	0	0	112	S64 A65 D66 L78 I81 W226	L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 2.8Å; L62-A65 PolarHBondContact O-N 3.27Å; L62-A65 VanDerWaalsContact O-N 3.17Å; L62-D66 PolarHBondContact O-N 3.4Å; L62-L78 HydrophobicContact CB-CD2 4.39Å; L62-I81 HydrophobicContact CD1-CD1 3.71Å; L62-I81 HydrophobicContact CD2-CD1 3.41Å; L62-I81 VanDerWaalsContact CD2-CD1 3.41Å; L62-I81 HydrophobicContact CD2-CG1 3.75Å; L62-I81 HydrophobicContact CD2-CG2 4.49Å; L62-I81 HydrophobicContact CG-CD1 4.17Å; L62-W226 HydrophobicContact CD2-CD2 4.29Å; L62-W226 HydrophobicContact CD2-CH2 4.21Å; L62-W226 HydrophobicContact CD2-CZ2 3.88Å
63	D	72.6	Confident	71.5	Confident	123 Å²	123	67.6 Å²	67.6	66%	0.658	36%	0.361	S	S	*	.	H	α-helix	trans	-63.1	-34.3	176.1	-60.7	-7.7	0	0	0	112.6	T61 R67	T61-D63 VanDerWaalsContact C-N 3.32Å; T61-D63 PolarHBondContact O-N 2.88Å; D63-R67 VanDerWaalsContact O-CB 3.29Å; D63-R67 WeakPolarHBondContact O-CB 3.05Å; D63-R67 PolarHBondContact O-N 2.82Å; D63-R67 VanDerWaalsContact O-N 3.11Å
64	S	76.3	Confident	71.8	Confident	27 Å²	27	69.6 Å²	69.6	19%	0.189	37%	0.367	C	S	.	.	H	α-helix	trans	-75.8	-32.9	174.6	50.8	0	0	0	0	112.2	V59 S60 T61 L62 Y68	V59-S64 WeakPolarHBondContact CG1-O 3.03Å; S60-S64 PolarHBondContact N-OG 3.25Å; T61-S64 PolarHBondContact N-OG 3.17Å; T61-S64 PolarHBondContact O-N 2.81Å; T61-S64 PolarHBondContact O-OG 2.03Å; T61-S64 WeakPolarHBondContact OG1-CB 3.07Å; T61-S64 PolarHBondContact OG1-N 2.03Å; T61-S64 VanDerWaalsContact OG1-N 3.15Å; T61-S64 PolarHBondContact OG1-OG 2.04Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 2.8Å; S64-Y68 VanDerWaalsContact O-CB 3.28Å; S64-Y68 WeakPolarHBondContact O-CB 3.01Å; S64-Y68 PolarHBondContact O-N 2.79Å
65	A	71.3	Confident	72.7	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-67.7	-42.5	172.4	0	0	0	0	0	113.2	V59 T61 L62 Y68 C69 L78 W226 F229	V59-A65 HydrophobicContact CG2-CB 4.2Å; T61-A65 PolarHBondContact O-N 3.08Å; L62-A65 PolarHBondContact O-N 3.27Å; L62-A65 VanDerWaalsContact O-N 3.17Å; A65-Y68 PolarHBondContact O-N 2.87Å; A65-C69 PolarHBondContact O-N 3.48Å; A65-C69 PolarHBondContact O-SG 2.88Å; A65-L78 HydrophobicContact CB-CD1 4.34Å; A65-W226 HydrophobicContact CB-CH2 3.88Å; A65-W226 HydrophobicContact CB-CZ3 3.92Å; A65-F229 HydrophobicContact CB-CD1 4.2Å; A65-F229 HydrophobicContact CB-CD2 3.94Å; A65-F229 HydrophobicContact CB-CE1 4.16Å; A65-F229 HydrophobicContact CB-CE2 3.86Å; A65-F229 HydrophobicContact CB-CG 4.11Å; A65-F229 HydrophobicContact CB-CZ 3.98Å
66	D	76.5	Confident	73.6	Confident	73 Å²	73	67.9 Å²	67.9	39%	0.39	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-43	175.3	-171	56.6	0	0	0	111.6	L62 C69 A70 K77 L78	L62-D66 PolarHBondContact O-N 3.4Å; D66-C69 WeakPolarHBondContact O-CB 3.47Å; D66-C69 PolarHBondContact O-N 2.99Å; D66-C69 VanDerWaalsContact O-N 3.14Å; D66-A70 PolarHBondContact O-N 3.22Å; D66-K77 WeakPolarHBondContact OD1-CA 3.27Å; D66-L78 HydrophobicContact CB-CB 3.85Å; D66-L78 WeakPolarHBondContact OD1-CB 3.46Å; D66-L78 PolarHBondContact OD1-N 3.29Å
67	R	78.8	Confident	74.7	Confident	152 Å²	152	69.8 Å²	69.8	57%	0.574	36%	0.36	S	S	*	.	H	α-helix	trans	-60.5	-45.8	172.7	-171.7	-176.6	-52.1	156.8	9.6	112.1	D63 C69 A70 E71	D63-R67 VanDerWaalsContact O-CB 3.29Å; D63-R67 WeakPolarHBondContact O-CB 3.05Å; D63-R67 PolarHBondContact O-N 2.82Å; D63-R67 VanDerWaalsContact O-N 3.11Å; R67-C69 VanDerWaalsContact C-N 3.26Å; R67-C69 PolarHBondContact O-N 2.91Å; R67-A70 PolarHBondContact O-N 2.99Å; R67-A70 VanDerWaalsContact O-N 3.13Å; R67-E71 VanDerWaalsContact CD-OE1 3.27Å; R67-E71 WeakPolarHBondContact CD-OE1 3.43Å; R67-E71 HydrophobicContact CG-CG 4.21Å; R67-E71 VanDerWaalsContact CG-OE1 3.23Å; R67-E71 WeakPolarHBondContact CG-OE1 3.32Å; R67-E71 WeakPolarHBondContact O-CB 3.44Å; R67-E71 WeakPolarHBondContact O-CG 3.42Å; R67-E71 PolarHBondContact O-N 2.9Å
68	Y	80.8	Confident	74.8	Confident	32 Å²	32	71 Å²	71	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-55.4	-44.6	173.5	171.4	-85	0	0	0	110.8	H38 S52 A57 V59 S64 A65 A70 E71 K72 Y73 F229	H38-Y68 PolarHBondContact NE2-OH 3.33Å; S52-Y68 PolarHBondContact OG-OH 2.93Å; A57-Y68 HydrophobicContact CB-CD1 4.07Å; A57-Y68 HydrophobicContact CB-CD2 3.55Å; A57-Y68 HydrophobicContact CB-CE1 4.01Å; A57-Y68 HydrophobicContact CB-CE2 3.47Å; A57-Y68 VanDerWaalsContact CB-CE2 3.47Å; A57-Y68 HydrophobicContact CB-CG 3.85Å; V59-Y68 HydrophobicContact CG1-CG 4.46Å; S64-Y68 VanDerWaalsContact O-CB 3.28Å; S64-Y68 WeakPolarHBondContact O-CB 3.01Å; S64-Y68 PolarHBondContact O-N 2.79Å; A65-Y68 PolarHBondContact O-N 2.87Å; Y68-A70 PolarHBondContact O-N 2.89Å; Y68-E71 PolarHBondContact O-N 3.05Å; Y68-K72 HydrophobicContact CD1-CB 4.49Å; Y68-K72 HydrophobicContact CE1-CB 4.29Å; Y68-K72 HydrophobicContact CE1-CG 4.23Å; Y68-K72 WeakPolarHBondContact O-CB 3.25Å; Y68-K72 PolarHBondContact O-N 2.95Å; Y68-Y73 HydrophobicContact CE1-CE2 4.05Å; Y68-F229 AromaticContact CD1-CE2 3.73Å; Y68-F229 HydrophobicContact CD1-CE2 3.73Å; Y68-F229 AromaticContact CD1-CZ 3.68Å; Y68-F229 HydrophobicContact CD1-CZ 3.68Å; Y68-F229 HydrophobicContact CE1-CE2 4.26Å; Y68-F229 HydrophobicContact CE1-CZ 4.1Å; Y68-F229 HydrophobicContact CG-CZ 4.27Å
69	C	80.1	Confident	74.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-45.6	176	-64.9	0	0	0	0	112.2	A65 D66 R67 Y73 G76 C231	A65-C69 PolarHBondContact O-N 3.48Å; A65-C69 PolarHBondContact O-SG 2.88Å; D66-C69 WeakPolarHBondContact O-CB 3.47Å; D66-C69 PolarHBondContact O-N 2.99Å; D66-C69 VanDerWaalsContact O-N 3.14Å; R67-C69 VanDerWaalsContact C-N 3.26Å; R67-C69 PolarHBondContact O-N 2.91Å; C69-Y73 WeakPolarHBondContact O-CD2 3.41Å; C69-Y73 PolarHBondContact O-N 3Å; C69-G76 WeakPolarHBondContact O-CA 3.37Å; C69-C231 WeakPolarHBondContact CA-SG 3.46Å; C69-C231 HydrophobicContact CB-CB 3.66Å; C69-C231 WeakPolarHBondContact CB-SG 3.12Å; C69-C231 WeakPolarHBondContact SG-CA 3.3Å; C69-C231 WeakPolarHBondContact SG-CB 3.46Å; C69-C231 CovalentContact SG-SG 2.04Å; C69-C231 PolarHBondContact SG-SG 3.42Å
70	A	80.9	Confident	74.5	Confident	59 Å²	59	65.9 Å²	65.9	49%	0.488	35%	0.345	S	S	.	.	H	α-helix	trans	-68.7	-33.5	-179.4	0	0	0	0	0	113.8	D66 R67 Y68 G76	D66-A70 PolarHBondContact O-N 3.22Å; R67-A70 PolarHBondContact O-N 2.99Å; R67-A70 VanDerWaalsContact O-N 3.13Å; Y68-A70 PolarHBondContact O-N 2.89Å; A70-G76 WeakPolarHBondContact CA-O 3.49Å
71	E	79.8	Confident	73.8	Confident	152 Å²	152	64.9 Å²	64.9	71%	0.71	33%	0.332	S	S	*	.	H	α-helix	trans	-77.4	-35.7	176.4	-72.4	174.8	-175.3	0	0	112.4	R67 Y68	R67-E71 VanDerWaalsContact CD-OE1 3.27Å; R67-E71 WeakPolarHBondContact CD-OE1 3.43Å; R67-E71 HydrophobicContact CG-CG 4.21Å; R67-E71 VanDerWaalsContact CG-OE1 3.23Å; R67-E71 WeakPolarHBondContact CG-OE1 3.32Å; R67-E71 WeakPolarHBondContact O-CB 3.44Å; R67-E71 WeakPolarHBondContact O-CG 3.42Å; R67-E71 PolarHBondContact O-N 2.9Å; Y68-E71 PolarHBondContact O-N 3.05Å
72	K	76.8	Confident	73	Confident	80 Å²	80	61.9 Å²	61.9	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-87.6	-31.5	-173.3	-172.3	63.6	158.6	175.4	0	113.5	Y68 F268	Y68-K72 HydrophobicContact CD1-CB 4.49Å; Y68-K72 HydrophobicContact CE1-CB 4.29Å; Y68-K72 HydrophobicContact CE1-CG 4.23Å; Y68-K72 WeakPolarHBondContact O-CB 3.25Å; Y68-K72 PolarHBondContact O-N 2.95Å; K72-F268 HydrophobicContact CD-CZ 4.03Å; K72-F268 HydrophobicContact CG-CZ 4.47Å; K72-F268 WeakPolarHBondContact O-CE2 3.41Å
73	Y	75.5	Confident	72.3	Confident	8 Å²	8	60.7 Å²	60.7	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	-127.4	146.7	-171.8	-52.1	-95.1	0	0	0	113.2	E33 T50 Y68 C69 H75 G76 C231 H233 Y236	E33-Y73 WeakPolarHBondContact OE2-CE1 3.42Å; T50-Y73 HydrophobicContact CG2-CE1 3.98Å; T50-Y73 WeakPolarHBondContact CG2-OH 3.36Å; Y68-Y73 HydrophobicContact CE1-CE2 4.05Å; C69-Y73 WeakPolarHBondContact O-CD2 3.41Å; C69-Y73 PolarHBondContact O-N 3Å; Y73-H75 PolarHBondContact O-N 3.17Å; Y73-G76 WeakPolarHBondContact O-CA 3.34Å; Y73-G76 PolarHBondContact O-N 3.49Å; Y73-C231 HydrophobicContact CD2-CB 3.68Å; Y73-C231 HydrophobicContact CE2-CB 3.67Å; Y73-C231 VanDerWaalsContact CE2-SG 3.54Å; Y73-C231 HydrophobicContact CG-CB 4.38Å; Y73-H233 VanDerWaalsContact CB-CB 3.43Å; Y73-H233 HydrophobicContact CD1-CB 4.36Å; Y73-H233 AromaticContact CD1-CD2 3.45Å; Y73-H233 VanDerWaalsContact CD1-CD2 3.45Å; Y73-H233 WeakPolarHBondContact CD1-CD2 3.37Å; Y73-H233 AromaticContact CD1-CE1 3.86Å; Y73-H233 AromaticContact CD1-CG 3.71Å; Y73-H233 AromaticContact CD1-ND1 3.96Å; Y73-H233 AromaticContact CD1-NE2 3.6Å; Y73-H233 AromaticContact CE1-NE2 3.99Å; Y73-H233 HydrophobicContact CG-CB 4.14Å; Y73-H233 AromaticContact CG-CD2 3.91Å; Y73-H233 AromaticContact CG-CG 3.98Å; Y73-Y236 WeakPolarHBondContact CA-OH 3.22Å; Y73-Y236 HydrophobicContact CD1-CE2 4.38Å; Y73-Y236 WeakPolarHBondContact CD1-OH 3.25Å
74	K	69.6	Low	70.7	Confident	71 Å²	71	57.2 Å²	57.2	31%	0.309	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	117.1	177.3	-174.4	-177.4	-162.7	153.1	0	111.8	G76 D234 Y236 E265	K74-G76 PolarHBondContact O-N 3.11Å; K74-D234 HydrophobicContact CD-CB 4.31Å; K74-D234 HydrophobicContact CG-CB 4.42Å; K74-D234 PolarHBondContact O-N 3.5Å; K74-D234 VanDerWaalsContact O-N 3.12Å; K74-Y236 HydrophobicContact CB-CE1 4.27Å; K74-E265 WeakPolarHBondContact CD-OE1 3.43Å; K74-E265 WeakPolarHBondContact CE-OE1 3.21Å; K74-E265 IonicContact NZ-OE1 2.58Å; K74-E265 PolarHBondContact NZ-OE1 3.25Å; K74-E265 IonicContact NZ-OE2 3.7Å; K74-E265 PolarHBondContact NZ-OE2 3.07Å
75	H	80.2	Confident	69.1	Low	142 Å²	142	61.1 Å²	61.1	66%	0.657	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	34.7	-170.5	-49.9	129.7	0	0	0	112.4	Y73 D234	Y73-H75 PolarHBondContact O-N 3.17Å; H75-D234 IonicContact CE1-OD2 3.57Å; H75-D234 IonicContact CG-OD2 3.2Å; H75-D234 IonicContact ND1-OD2 2.89Å; H75-D234 PolarHBondContact ND1-OD2 2.73Å
76	G	80.4	Confident	67.6	Low	9 Å²	9	63.6 Å²	63.6	9%	0.093	33%	0.326	C	S	.	.			trans	-66	143.5	-176.5	0	0	0	0	0	112.6	C69 A70 Y73 K74 S232	C69-G76 WeakPolarHBondContact O-CA 3.37Å; A70-G76 WeakPolarHBondContact CA-O 3.49Å; Y73-G76 WeakPolarHBondContact O-CA 3.34Å; Y73-G76 PolarHBondContact O-N 3.49Å; K74-G76 PolarHBondContact O-N 3.11Å; G76-S232 CarbonylContact C-O 3.58Å; G76-S232 VanDerWaalsContact CA-O 3.27Å; G76-S232 WeakPolarHBondContact CA-O 3.26Å
77	K	82.7	Confident	65.9	Low	123 Å²	123	60.8 Å²	60.8	54%	0.535	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	155	174	62.5	178.3	-178.6	175.8	0	111.4	D66 A79 C231 S232	D66-K77 WeakPolarHBondContact OD1-CA 3.27Å; K77-A79 PolarHBondContact O-N 3.21Å; K77-C231 CarbonylContact O-C 3.57Å; K77-C231 WeakPolarHBondContact O-CA 3.39Å; K77-S232 PolarHBondContact N-O 3.37Å; K77-S232 PolarHBondContact O-N 2.79Å
78	L	71.6	Confident	64.2	Low	40 Å²	40	56.6 Å²	56.6	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	117.7	171.9	-175.7	60.4	0	0	0	109.9	L62 A65 D66 I81 F229	L62-L78 HydrophobicContact CB-CD2 4.39Å; A65-L78 HydrophobicContact CB-CD1 4.34Å; D66-L78 HydrophobicContact CB-CB 3.85Å; D66-L78 WeakPolarHBondContact OD1-CB 3.46Å; D66-L78 PolarHBondContact OD1-N 3.29Å; L78-I81 HydrophobicContact CD1-CG1 4.39Å; L78-I81 HydrophobicContact CD2-CD1 4.37Å; L78-I81 HydrophobicContact CD2-CG1 4.14Å; L78-F229 HydrophobicContact CD1-CB 3.67Å; L78-F229 HydrophobicContact CD1-CD2 3.82Å; L78-F229 HydrophobicContact CD1-CG 4.1Å
79	A	68	Low	62.4	Low	42 Å²	42	61.6 Å²	61.6	35%	0.347	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-42.8	-177.3	0	0	0	0	0	112.4	K77 F230	K77-A79 PolarHBondContact O-N 3.21Å; A79-F230 HydrophobicContact CB-CB 4.05Å; A79-F230 VanDerWaalsContact CB-O 3.24Å; A79-F230 WeakPolarHBondContact CB-O 3.23Å; A79-F230 PolarHBondContact N-O 3.36Å
80	A	64.8	Low	60.6	Low	17 Å²	17	68 Å²	68	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	144.1	-176.2	0	0	0	0	0	109.8	F229 F230	A80-F229 WeakPolarHBondContact O-CA 3.03Å; A80-F230 HydrophobicContact CB-CD2 4.33Å; A80-F230 PolarHBondContact O-N 3.05Å
81	I	56.1	Low	58.8	Low	73 Å²	73	66 Å²	66	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.4	168.7	-56.6	149	0	0	0	106	L62 L78 W226	L62-I81 HydrophobicContact CD1-CD1 3.71Å; L62-I81 HydrophobicContact CD2-CD1 3.41Å; L62-I81 VanDerWaalsContact CD2-CD1 3.41Å; L62-I81 HydrophobicContact CD2-CG1 3.75Å; L62-I81 HydrophobicContact CD2-CG2 4.49Å; L62-I81 HydrophobicContact CG-CD1 4.17Å; L78-I81 HydrophobicContact CD1-CG1 4.39Å; L78-I81 HydrophobicContact CD2-CD1 4.37Å; L78-I81 HydrophobicContact CD2-CG1 4.14Å; I81-W226 HydrophobicContact CG2-CB 3.26Å; I81-W226 HydrophobicContact CG2-CD2 3.95Å; I81-W226 HydrophobicContact CG2-CE3 4.16Å; I81-W226 HydrophobicContact CG2-CG 3.59Å
82	L	48.8	Very low	56.9	Low	3 Å²	3	62 Å²	62	2%	0.016	31%	0.313	C	S	.	.			trans	-114.5	115.4	-176.7	-59.8	171.2	0	0	0	111.1	F51 T86 L87 W226 G228 F230	F51-L82 HydrophobicContact CD2-CD1 4.09Å; F51-L82 HydrophobicContact CE2-CD1 4.04Å; L82-T86 HydrophobicContact CD2-CG2 4.15Å; L82-L87 HydrophobicContact CB-CB 4.24Å; L82-L87 HydrophobicContact CB-CD1 4.3Å; L82-L87 HydrophobicContact CD1-CB 4.27Å; L82-L87 HydrophobicContact CD1-CD1 3.69Å; L82-L87 HydrophobicContact CD1-CG 3.93Å; L82-W226 WeakPolarHBondContact O-CA 3.42Å; L82-G228 PolarHBondContact N-O 2.78Å; L82-F230 HydrophobicContact CD1-CD2 3.82Å; L82-F230 HydrophobicContact CD1-CE2 3.4Å; L82-F230 VanDerWaalsContact CD1-CE2 3.4Å; L82-F230 HydrophobicContact CD1-CZ 3.96Å; L82-F230 HydrophobicContact CD2-CD2 4.14Å; L82-F230 HydrophobicContact CD2-CE2 3.92Å; L82-F230 HydrophobicContact CG-CD2 4.17Å; L82-F230 HydrophobicContact CG-CE2 4.09Å
83	S	45.8	Very low	55.1	Low	48 Å²	48	63.8 Å²	63.8	34%	0.336	33%	0.326	S	S	.	.			trans	-69.9	155.8	148.9	67.2	0	0	0	0	109.6	D85 T86 L87	S83-D85 PolarHBondContact O-N 2.56Å; S83-T86 PolarHBondContact O-N 3Å; S83-T86 VanDerWaalsContact O-N 3.09Å; S83-T86 PolarHBondContact OG-N 2.93Å; S83-T86 PolarHBondContact OG-OG1 2.68Å; S83-L87 PolarHBondContact O-N 2.95Å
84	L	40.1	Very low	53.1	Low	50 Å²	50	65.6 Å²	65.6	26%	0.262	34%	0.338	S	S	.	.	H	α-helix	trans	-54.7	-40.8	-178.7	-162.9	75.5	0	0	0	112.2	L87 N88 W220 L227	L84-L87 WeakPolarHBondContact O-CB 3.21Å; L84-L87 PolarHBondContact O-N 3.12Å; L84-N88 VanDerWaalsContact O-CG 3.28Å; L84-N88 PolarHBondContact O-N 2.97Å; L84-N88 PolarHBondContact O-ND2 3.11Å; L84-W220 HydrophobicContact CD1-CZ3 4.32Å; L84-W220 HydrophobicContact CD2-CD2 4.48Å; L84-W220 HydrophobicContact CD2-CE3 3.88Å; L84-W220 HydrophobicContact CD2-CZ3 4.19Å; L84-L227 HydrophobicContact CD1-CD1 4.09Å
85	D	41.6	Very low	51.3	Low	110 Å²	110	64.2 Å²	64.2	59%	0.588	34%	0.34	S	S	*	.	H	α-helix	trans	-66.1	-40.8	177.7	-66.9	-30.6	0	0	0	113	S83 L87 N88 Q89	S83-D85 PolarHBondContact O-N 2.56Å; D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 3Å; D85-N88 PolarHBondContact O-N 2.7Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 2.65Å
86	T	40.3	Very low	49.1	Very low	52 Å²	52	65.4 Å²	65.4	32%	0.319	35%	0.345	S	S	.	.	H	α-helix	trans	-66.9	-36.8	177.3	-52.9	0	0	0	0	111.1	L82 S83 R90	L82-T86 HydrophobicContact CD2-CG2 4.15Å; S83-T86 PolarHBondContact O-N 3Å; S83-T86 VanDerWaalsContact O-N 3.09Å; S83-T86 PolarHBondContact OG-N 2.93Å; S83-T86 PolarHBondContact OG-OG1 2.68Å; T86-R90 WeakPolarHBondContact O-CB 3.1Å; T86-R90 PolarHBondContact O-N 3.2Å
87	L	41.4	Very low	46.7	Very low	14 Å²	14	69.8 Å²	69.8	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-51.5	173.7	-162.8	153.1	0	0	0	110	F51 L82 S83 L84 D85 Q89 R90 F91	F51-L87 HydrophobicContact CE2-CD1 4.18Å; L82-L87 HydrophobicContact CB-CB 4.24Å; L82-L87 HydrophobicContact CB-CD1 4.3Å; L82-L87 HydrophobicContact CD1-CB 4.27Å; L82-L87 HydrophobicContact CD1-CD1 3.69Å; L82-L87 HydrophobicContact CD1-CG 3.93Å; S83-L87 PolarHBondContact O-N 2.95Å; L84-L87 WeakPolarHBondContact O-CB 3.21Å; L84-L87 PolarHBondContact O-N 3.12Å; D85-L87 VanDerWaalsContact C-N 3.31Å; D85-L87 PolarHBondContact O-N 3Å; L87-Q89 PolarHBondContact O-N 3Å; L87-R90 PolarHBondContact O-N 3.23Å; L87-F91 HydrophobicContact CD2-CD2 3.56Å; L87-F91 HydrophobicContact CD2-CE2 3.96Å; L87-F91 HydrophobicContact CG-CD2 3.82Å; L87-F91 HydrophobicContact CG-CE2 3.95Å; L87-F91 WeakPolarHBondContact O-CB 3.48Å; L87-F91 WeakPolarHBondContact O-CD2 3.41Å; L87-F91 PolarHBondContact O-N 2.75Å
88	N	42.6	Very low	44	Very low	64 Å²	64	71.1 Å²	71.1	34%	0.342	37%	0.372	S	S	.	.	H	α-helix	trans	-56.9	-47.1	177.5	-70.7	-30.2	0	0	0	112.4	L84 D85 N92	L84-N88 VanDerWaalsContact O-CG 3.28Å; L84-N88 PolarHBondContact O-N 2.97Å; L84-N88 PolarHBondContact O-ND2 3.11Å; D85-N88 PolarHBondContact O-N 2.7Å; N88-N92 WeakPolarHBondContact O-CB 3.19Å; N88-N92 PolarHBondContact O-N 2.92Å; N88-N92 PolarHBondContact O-ND2 3.18Å
89	Q	44	Very low	41.9	Very low	136 Å²	136	77.5 Å²	77.5	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-66.5	-46.1	-179.5	-71.6	-177.7	8.4	0	0	113.2	D85 L87	D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 2.65Å; L87-Q89 PolarHBondContact O-N 3Å
90	R	41.1	Very low	39.9	Very low	135 Å²	135	78.6 Å²	78.6	51%	0.509	40%	0.404	S	S	.	.	H	α-helix	trans	-66.7	-42	179.1	-76.5	-169.5	174.7	-151.5	1.1	111.9	T86 L87 N93 V94	T86-R90 WeakPolarHBondContact O-CB 3.1Å; T86-R90 PolarHBondContact O-N 3.2Å; L87-R90 PolarHBondContact O-N 3.23Å; R90-N93 PolarHBondContact O-N 3.12Å; R90-V94 PolarHBondContact O-N 2.88Å
91	F	43.5	Very low	38	Very low	17 Å²	17	83.2 Å²	83.2	8%	0.075	43%	0.43	C	S	.	.	H	α-helix	trans	-71	-30.4	179.5	-83.5	-71.3	0	0	0	113.5	L39 L87 N93 V94 A95 I102 F230	L39-F91 HydrophobicContact CD2-CE1 3.97Å; L39-F91 HydrophobicContact CD2-CZ 3.84Å; L87-F91 HydrophobicContact CD2-CD2 3.56Å; L87-F91 HydrophobicContact CD2-CE2 3.96Å; L87-F91 HydrophobicContact CG-CD2 3.82Å; L87-F91 HydrophobicContact CG-CE2 3.95Å; L87-F91 WeakPolarHBondContact O-CB 3.48Å; L87-F91 WeakPolarHBondContact O-CD2 3.41Å; L87-F91 PolarHBondContact O-N 2.75Å; F91-N93 PolarHBondContact O-N 2.9Å; F91-V94 PolarHBondContact O-N 3.24Å; F91-V94 VanDerWaalsContact O-N 3.17Å; F91-A95 WeakPolarHBondContact O-CB 3.49Å; F91-A95 PolarHBondContact O-N 2.73Å; F91-I102 HydrophobicContact CD1-CD1 3.62Å; F91-I102 HydrophobicContact CD2-CD1 3.96Å; F91-I102 HydrophobicContact CE1-CD1 3.57Å; F91-I102 HydrophobicContact CE2-CD1 3.9Å; F91-I102 HydrophobicContact CG-CD1 3.8Å; F91-I102 HydrophobicContact CZ-CD1 3.7Å; F91-F230 HydrophobicContact CE2-CE2 4.49Å; F91-F230 AromaticContact CE2-CZ 3.75Å; F91-F230 HydrophobicContact CE2-CZ 3.75Å; F91-F230 HydrophobicContact CZ-CE1 4.31Å; F91-F230 AromaticContact CZ-CZ 3.67Å; F91-F230 HydrophobicContact CZ-CZ 3.67Å
92	N	40.7	Very low	36.6	Very low	69 Å²	69	80.7 Å²	80.7	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-55.6	-38	171	-80.2	-20.3	0	0	0	112.5	N88 Q96	N88-N92 WeakPolarHBondContact O-CB 3.19Å; N88-N92 PolarHBondContact O-N 2.92Å; N88-N92 PolarHBondContact O-ND2 3.18Å; N92-Q96 WeakPolarHBondContact O-CG 3.43Å
93	N	37.7	Very low	35.6	Very low	117 Å²	117	85.3 Å²	85.3	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-75.2	-35.1	178.4	-64.4	-14.2	0	0	0	112.5	R90 F91	R90-N93 PolarHBondContact O-N 3.12Å; F91-N93 PolarHBondContact O-N 2.9Å
94	V	33.8	Very low	34.9	Very low	46 Å²	46	85.9 Å²	85.9	28%	0.279	44%	0.44	S	S	.	.	H	α-helix	trans	-79.1	-41.2	-179.7	178.2	0	0	0	0	111.9	R90 F91 Q96 T97	R90-V94 PolarHBondContact O-N 2.88Å; F91-V94 PolarHBondContact O-N 3.24Å; F91-V94 VanDerWaalsContact O-N 3.17Å; V94-Q96 PolarHBondContact O-N 3.29Å; V94-T97 PolarHBondContact O-N 3.17Å; V94-T97 PolarHBondContact O-OG1 2.58Å
95	A	32	Very low	35	Very low	42 Å²	42	84.6 Å²	84.6	35%	0.347	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-23.4	-177.7	0	0	0	0	0	113.2	F91 T97 Y131	F91-A95 WeakPolarHBondContact O-CB 3.49Å; F91-A95 PolarHBondContact O-N 2.73Å; A95-T97 PolarHBondContact O-N 2.87Å; A95-Y131 HydrophobicContact CB-CE2 3.97Å
96	Q	33.3	Very low	35.3	Very low	166 Å²	166	80.2 Å²	80.2	78%	0.776	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.7	169.8	-74.4	178.6	21.7	0	0	113.5	N92 V94	N92-Q96 WeakPolarHBondContact O-CG 3.43Å; V94-Q96 PolarHBondContact O-N 3.29Å
97	T	30.2	Very low	35.7	Very low	101 Å²	101	79.5 Å²	79.5	62%	0.62	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-24.2	-173.9	71.1	0	0	0	0	115	V94 A95	V94-T97 PolarHBondContact O-N 3.17Å; V94-T97 PolarHBondContact O-OG1 2.58Å; A95-T97 PolarHBondContact O-N 2.87Å
98	R	26.2	Very low	36.3	Very low	152 Å²	152	78.9 Å²	78.9	57%	0.574	41%	0.41	S	S	*	.	S	Bend	trans	-151.3	144.3	-176.2	-66.3	-169.2	-178.1	-163.6	0.8	113.9	F100	R98-F100 HydrophobicContact CB-CD2 3.72Å; R98-F100 HydrophobicContact CB-CE2 3.44Å; R98-F100 VanDerWaalsContact CB-CE2 3.44Å; R98-F100 HydrophobicContact CB-CZ 4.38Å; R98-F100 HydrophobicContact CG-CE2 4.22Å; R98-F100 PolarHBondContact O-N 3.02Å
99	N	28.3	Very low	37.1	Very low	174 Å²	174	78.1 Å²	78.1	93%	0.93	40%	0.404	S	S	*	.			trans	-70.7	91.5	174.6	-66.8	-21	0	0	0	111.4
100	F	25.7	Very low	37.9	Very low	65 Å²	65	71.7 Å²	71.7	29%	0.285	37%	0.374	S	S	.	.			trans	-122	140.2	168	-66.5	-75	0	0	0	110.7	P31 R98	P31-F100 HydrophobicContact CB-CE1 4.24Å; P31-F100 HydrophobicContact CB-CZ 3.83Å; P31-F100 HydrophobicContact CG-CZ 4.14Å; R98-F100 HydrophobicContact CB-CD2 3.72Å; R98-F100 HydrophobicContact CB-CE2 3.44Å; R98-F100 VanDerWaalsContact CB-CE2 3.44Å; R98-F100 HydrophobicContact CB-CZ 4.38Å; R98-F100 HydrophobicContact CG-CE2 4.22Å; R98-F100 PolarHBondContact O-N 3.02Å
101	T	24.9	Very low	39	Very low	113 Å²	113	68 Å²	68	69%	0.693	36%	0.364	S	S	*	.			trans	-112.6	102	174.4	-54.2	0	0	0	0	109.3
102	I	26.8	Very low	40.2	Very low	20 Å²	20	71.1 Å²	71.1	10%	0.103	38%	0.378	C	S	.	.			trans	-73.3	145.8	166	-43.1	-175.7	0	0	0	107.9	L39 F91 N104 R132	L39-I102 HydrophobicContact CD2-CD1 4.02Å; L39-I102 HydrophobicContact CD2-CG1 3.86Å; F91-I102 HydrophobicContact CD1-CD1 3.62Å; F91-I102 HydrophobicContact CD2-CD1 3.96Å; F91-I102 HydrophobicContact CE1-CD1 3.57Å; F91-I102 HydrophobicContact CE2-CD1 3.9Å; F91-I102 HydrophobicContact CG-CD1 3.8Å; F91-I102 HydrophobicContact CZ-CD1 3.7Å; I102-N104 HydrophobicContact CG2-CB 3.93Å; I102-R132 PolarHBondContact O-NH1 2.94Å
103	L	27	Very low	41.5	Very low	100 Å²	100	71 Å²	71	52%	0.524	37%	0.373	S	S	.	.			trans	-106.5	42	170.8	-71.2	176.3	0	0	0	112.9	L202	L103-L202 HydrophobicContact CD2-CD1 4.32Å
104	N	31.2	Very low	43	Very low	60 Å²	60	68.6 Å²	68.6	32%	0.321	36%	0.36	S	S	.	.			trans	-91.8	151.9	170.6	-74.1	-13.6	0	0	0	111.6	I102 R132	I102-N104 HydrophobicContact CG2-CB 3.93Å; N104-R132 PolarHBondContact O-NH1 3.3Å; N104-R132 PolarHBondContact O-NH2 3.13Å
105	G	41.9	Very low	44.6	Very low	24 Å²	24	70.9 Å²	70.9	25%	0.247	37%	0.37	C	S	.	.			trans	36.9	86.8	152.7	0	0	0	0	0	116.6	S107 S200	G105-S107 PolarHBondContact O-N 2.87Å; G105-S200 WeakPolarHBondContact CA-O 3.41Å
106	I	48.1	Very low	45.9	Very low	17 Å²	17	72.8 Å²	72.8	9%	0.087	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	107.2	164.9	-59.4	-176.9	0	0	0	107.8	L108 I128 F175 V176 S200	I106-L108 HydrophobicContact CG2-CD2 3.68Å; I106-L108 HydrophobicContact CG2-CG 3.99Å; I106-L108 PolarHBondContact O-N 3.19Å; I106-I128 HydrophobicContact CG2-CD1 3.78Å; I106-I128 HydrophobicContact CG2-CG2 3.53Å; I106-F175 HydrophobicContact CD1-CB 4.46Å; I106-F175 HydrophobicContact CD1-CD1 4.07Å; I106-V176 HydrophobicContact CB-CG2 4.41Å; I106-V176 HydrophobicContact CD1-CG2 4.12Å; I106-S200 PolarHBondContact N-O 2.77Å; I106-S200 PolarHBondContact O-N 3.17Å
107	S	50.3	Low	46.9	Very low	38 Å²	38	67.8 Å²	67.8	27%	0.266	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.3	173	-66.7	0	0	0	0	110.6	G105 I128 L129 F198	G105-S107 PolarHBondContact O-N 2.87Å; S107-I128 WeakPolarHBondContact O-CG2 3.15Å; S107-L129 PolarHBondContact O-N 2.97Å; S107-F198 WeakPolarHBondContact CA-O 3Å
108	L	53.7	Low	48.1	Very low	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	179.4	-63.8	179.7	0	0	0	111.7	I106 F126 I128 L139 V176 F178 I197 F198	I106-L108 HydrophobicContact CG2-CD2 3.68Å; I106-L108 HydrophobicContact CG2-CG 3.99Å; I106-L108 PolarHBondContact O-N 3.19Å; L108-F126 HydrophobicContact CB-CB 4.43Å; L108-F126 HydrophobicContact CB-CD1 3.97Å; L108-F126 HydrophobicContact CD1-CD1 4.46Å; L108-F126 HydrophobicContact CD2-CB 4.25Å; L108-I128 HydrophobicContact CD2-CB 4.22Å; L108-I128 HydrophobicContact CD2-CD1 3.86Å; L108-I128 HydrophobicContact CD2-CG1 3.7Å; L108-I128 HydrophobicContact CD2-CG2 4.15Å; L108-L139 HydrophobicContact CD2-CD1 4.06Å; L108-V176 HydrophobicContact CD1-CB 4.49Å; L108-V176 HydrophobicContact CD1-CG1 4.15Å; L108-V176 HydrophobicContact CD1-CG2 4.1Å; L108-F178 HydrophobicContact CD1-CE2 3.81Å; L108-F178 HydrophobicContact CD1-CZ 3.68Å; L108-I197 WeakPolarHBondContact O-CA 2.96Å; L108-F198 HydrophobicContact CB-CB 4.38Å; L108-F198 PolarHBondContact N-O 2.95Å; L108-F198 PolarHBondContact O-N 2.98Å
109	Q	58.3	Low	49.2	Very low	49 Å²	49	67.4 Å²	67.4	23%	0.229	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124	167.7	176.5	177.5	42.1	0	0	109.8	I111 F126 R127 L129 S194	Q109-I111 HydrophobicContact CG-CG2 4.15Å; Q109-I111 PolarHBondContact O-N 2.75Å; Q109-F126 CarbonylContact O-C 3.43Å; Q109-F126 VanDerWaalsContact O-CA 3.23Å; Q109-F126 WeakPolarHBondContact O-CA 3.35Å; Q109-R127 PolarHBondContact N-O 3.04Å; Q109-R127 PolarHBondContact O-N 3.25Å; Q109-L129 HydrophobicContact CB-CD1 4.11Å; Q109-L129 HydrophobicContact CB-CD2 4.29Å; Q109-L129 HydrophobicContact CB-CG 4.2Å; Q109-S194 PolarHBondContact NE2-O 2.79Å
110	L	61.1	Low	50.7	Low	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	120.8	168.7	-177.9	63.8	0	0	0	109.6	F124 F126 L186 W190 S194	L110-F124 HydrophobicContact CD1-CB 4.23Å; L110-F124 HydrophobicContact CD1-CD1 3.82Å; L110-F124 HydrophobicContact CD1-CG 4.49Å; L110-F124 HydrophobicContact CD2-CD1 4.43Å; L110-F126 HydrophobicContact CB-CD1 4.11Å; L110-F126 HydrophobicContact CB-CE1 3.97Å; L110-F126 HydrophobicContact CD1-CD1 4.32Å; L110-F126 HydrophobicContact CD1-CE1 4.05Å; L110-F126 HydrophobicContact CD1-CE2 4.34Å; L110-F126 HydrophobicContact CD1-CZ 4.07Å; L110-L186 HydrophobicContact CD2-CB 4.08Å; L110-L186 HydrophobicContact CD2-CD1 4.45Å; L110-L186 HydrophobicContact CD2-CD2 3.92Å; L110-L186 HydrophobicContact CD2-CG 4.39Å; L110-W190 HydrophobicContact CB-CZ3 4.41Å; L110-W190 HydrophobicContact CD2-CE3 3.68Å; L110-W190 HydrophobicContact CD2-CZ3 4.02Å; L110-W190 HydrophobicContact CG-CE3 3.95Å; L110-W190 HydrophobicContact CG-CZ3 3.77Å; L110-S194 WeakPolarHBondContact O-CA 3.39Å
111	I	63.5	Low	52.3	Low	57 Å²	57	58.4 Å²	58.4	29%	0.292	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-22	-177	55.9	162.5	0	0	0	114.4	Q109 H125 R127 W190	Q109-I111 HydrophobicContact CG-CG2 4.15Å; Q109-I111 PolarHBondContact O-N 2.75Å; I111-H125 HydrophobicContact CD1-CB 4.31Å; I111-H125 HydrophobicContact CG1-CB 3.91Å; I111-H125 WeakPolarHBondContact CG1-O 3.27Å; I111-H125 PolarHBondContact N-O 2.04Å; I111-R127 HydrophobicContact CD1-CB 4.43Å; I111-R127 HydrophobicContact CG2-CB 3.67Å; I111-W190 WeakPolarHBondContact O-CH2 3.33Å
112	K	68.5	Low	54	Low	83 Å²	83	53.2 Å²	53.2	36%	0.361	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	167.8	168.5	59.2	178.7	-173	-178.9	0	110.2	H125 W190	K112-H125 HydrophobicContact CD-CB 4.45Å; K112-H125 WeakPolarHBondContact CE-ND1 3.46Å; K112-H125 HydrophobicContact CG-CB 3.56Å; K112-H125 PolarHBondContact O-N 2.9Å; K112-W190 HydrophobicContact CB-CZ2 4.46Å
113	Y	69.2	Low	55.9	Low	67 Å²	67	53.6 Å²	53.6	26%	0.263	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.4	160.2	80.6	-86.3	0	0	0	110	V122 E123 R187 W190	Y113-V122 HydrophobicContact CD2-CG1 3.97Å; Y113-E123 CarbonylContact C-O 3.48Å; Y113-E123 VanDerWaalsContact CA-O 3.22Å; Y113-E123 WeakPolarHBondContact CA-O 3.43Å; Y113-R187 HydrophobicContact CE2-CG 4.45Å; Y113-W190 HydrophobicContact CD1-CB 4.07Å; Y113-W190 AromaticContact CD1-CD1 3.85Å; Y113-W190 HydrophobicContact CD1-CD2 4.28Å; Y113-W190 AromaticContact CD1-CG 3.77Å; Y113-W190 HydrophobicContact CD1-CG 3.77Å; Y113-W190 HydrophobicContact CE1-CB 3.86Å; Y113-W190 AromaticContact CE1-CD1 3.54Å; Y113-W190 AromaticContact CE1-CG 3.73Å; Y113-W190 HydrophobicContact CE1-CG 3.73Å
114	N	69.6	Low	57.7	Low	66 Å²	66	48.9 Å²	48.9	35%	0.353	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.1	172.2	-63.6	-23.8	0	0	0	109.3	V116 V122 E123 H125	N114-V116 PolarHBondContact O-N 3.39Å; N114-V122 WeakPolarHBondContact O-CA 3.35Å; N114-E123 HydrophobicContact CB-CB 4.47Å; N114-E123 PolarHBondContact N-O 3.22Å; N114-E123 PolarHBondContact O-N 3.16Å; N114-H125 PolarHBondContact ND2-NE2 3.3Å
115	D	66.6	Low	59.3	Low	94 Å²	94	46.4 Å²	46.4	50%	0.503	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.5	160	-65.5	-44	0	0	0	108.2	S117	D115-S117 VanDerWaalsContact C-N 3.33Å
116	V	59.5	Low	60.2	Low	82 Å²	82	45.3 Å²	45.3	50%	0.497	25%	0.252	S	S	.	.	S	Bend	trans	-73.5	-28.5	-176.2	-178.2	0	0	0	0	111.4	N114 P121 E123	N114-V116 PolarHBondContact O-N 3.39Å; V116-P121 HydrophobicContact CB-CG 3.92Å; V116-P121 VanDerWaalsContact CB-O 3.24Å; V116-P121 WeakPolarHBondContact CB-O 3.45Å; V116-P121 HydrophobicContact CG1-CG 4.23Å; V116-P121 HydrophobicContact CG2-CG 4.1Å; V116-P121 VanDerWaalsContact CG2-O 3.31Å; V116-P121 WeakPolarHBondContact CG2-O 3.28Å; V116-P121 PolarHBondContact N-O 3.03Å; V116-E123 HydrophobicContact CG2-CG 4.09Å
117	S	54.6	Low	60.7	Low	61 Å²	61	50.4 Å²	50.4	43%	0.427	27%	0.27	S	S	.	.	S	Bend	trans	-161.4	168.9	162.2	82.4	0	0	0	0	111.1	D115 Q119 G120	D115-S117 VanDerWaalsContact C-N 3.33Å; S117-Q119 PolarHBondContact O-N 2.8Å; S117-Q119 PolarHBondContact OG-N 3.07Å; S117-G120 PolarHBondContact O-N 2.89Å; S117-G120 VanDerWaalsContact OG-CA 3.29Å; S117-G120 WeakPolarHBondContact OG-CA 3.31Å; S117-G120 PolarHBondContact OG-N 3.02Å
118	A	54.8	Low	60.9	Low	82 Å²	82	49.2 Å²	49.2	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-6.4	178.3	0	0	0	0	0	115.5
119	Q	50.1	Low	60.8	Low	163 Å²	163	52.9 Å²	52.9	76%	0.762	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	7.9	-178.3	-64.5	147.6	-6.7	0	0	111.4	S117	S117-Q119 PolarHBondContact O-N 2.8Å; S117-Q119 PolarHBondContact OG-N 3.07Å
120	G	58.8	Low	60.2	Low	12 Å²	12	51.4 Å²	51.4	12%	0.124	27%	0.273	C	S	.	.	S	Bend	trans	-111.2	-172	-161.7	0	0	0	0	0	114.3	S117	S117-G120 PolarHBondContact O-N 2.89Å; S117-G120 VanDerWaalsContact OG-CA 3.29Å; S117-G120 WeakPolarHBondContact OG-CA 3.31Å; S117-G120 PolarHBondContact OG-N 3.02Å
121	P	59.2	Low	59.2	Low	38 Å²	38	56.4 Å²	56.4	25%	0.247	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65.8	149.2	175.4	26.6	-31.2	0	0	0	111.7	V116 Y143 L144	V116-P121 HydrophobicContact CB-CG 3.92Å; V116-P121 VanDerWaalsContact CB-O 3.24Å; V116-P121 WeakPolarHBondContact CB-O 3.45Å; V116-P121 HydrophobicContact CG1-CG 4.23Å; V116-P121 HydrophobicContact CG2-CG 4.1Å; V116-P121 VanDerWaalsContact CG2-O 3.31Å; V116-P121 WeakPolarHBondContact CG2-O 3.28Å; V116-P121 PolarHBondContact N-O 3.03Å; P121-Y143 WeakPolarHBondContact CA-O 3.2Å; P121-Y143 WeakPolarHBondContact CB-O 3.09Å; P121-L144 HydrophobicContact CB-CD2 4.23Å; P121-L144 HydrophobicContact CG-CD2 4.39Å
122	V	62	Low	58.1	Low	4 Å²	4	56.9 Å²	56.9	2%	0.024	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125	166.6	-170.1	0	0	0	0	106.9	Y113 N114 F124 Y143	Y113-V122 HydrophobicContact CD2-CG1 3.97Å; N114-V122 WeakPolarHBondContact O-CA 3.35Å; V122-F124 HydrophobicContact CB-CD2 4.45Å; V122-F124 HydrophobicContact CB-CE2 3.96Å; V122-F124 HydrophobicContact CG1-CD2 3.92Å; V122-F124 HydrophobicContact CG1-CE2 3.4Å; V122-F124 HydrophobicContact CG1-CZ 4.21Å; V122-Y143 HydrophobicContact CB-CE1 4.47Å; V122-Y143 HydrophobicContact CB-CE2 4.01Å; V122-Y143 HydrophobicContact CG2-CE2 4.12Å; V122-Y143 PolarHBondContact N-O 3.32Å
123	E	66	Low	56.6	Low	28 Å²	28	57.5 Å²	57.5	13%	0.131	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118	172.9	-78.5	-165.8	154.1	0	0	110.3	Y113 N114 V116 H125 Y141 K159	Y113-E123 CarbonylContact C-O 3.48Å; Y113-E123 VanDerWaalsContact CA-O 3.22Å; Y113-E123 WeakPolarHBondContact CA-O 3.43Å; N114-E123 HydrophobicContact CB-CB 4.47Å; N114-E123 PolarHBondContact N-O 3.22Å; N114-E123 PolarHBondContact O-N 3.16Å; V116-E123 HydrophobicContact CG2-CG 4.09Å; E123-H125 WeakPolarHBondContact CB-NE2 3.46Å; E123-H125 PolarHBondContact O-CD2 2.71Å; E123-H125 PolarHBondContact O-NE2 2.88Å; E123-H125 IonicContact OE2-CE1 2.87Å; E123-H125 PolarHBondContact OE2-CE1 2.78Å; E123-H125 IonicContact OE2-NE2 2.77Å; E123-H125 PolarHBondContact OE2-NE2 3.31Å; E123-Y141 CarbonylContact C-O 3.58Å; E123-Y141 WeakPolarHBondContact CA-O 3.39Å; E123-K159 IonicContact OE1-NZ 2.7Å; E123-K159 PolarHBondContact OE1-NZ 3.29Å
124	F	65.3	Low	54.9	Low	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.3	170.7	-71.6	-112.7	0	0	0	109.3	L110 V122 F126 Y140 Y141 Y143 L183 L186 R187	L110-F124 HydrophobicContact CD1-CB 4.23Å; L110-F124 HydrophobicContact CD1-CD1 3.82Å; L110-F124 HydrophobicContact CD1-CG 4.49Å; L110-F124 HydrophobicContact CD2-CD1 4.43Å; V122-F124 HydrophobicContact CB-CD2 4.45Å; V122-F124 HydrophobicContact CB-CE2 3.96Å; V122-F124 HydrophobicContact CG1-CD2 3.92Å; V122-F124 HydrophobicContact CG1-CE2 3.4Å; V122-F124 HydrophobicContact CG1-CZ 4.21Å; F124-F126 HydrophobicContact CB-CD2 4.2Å; F124-F126 HydrophobicContact CB-CE2 3.54Å; F124-F126 HydrophobicContact CB-CZ 4.25Å; F124-F126 HydrophobicContact CD1-CZ 4.47Å; F124-F126 HydrophobicContact CG-CE2 4.42Å; F124-Y140 WeakPolarHBondContact O-CA 3.16Å; F124-Y141 PolarHBondContact N-O 2.99Å; F124-Y141 PolarHBondContact O-N 3.07Å; F124-Y143 HydrophobicContact CD2-CD1 4.45Å; F124-Y143 AromaticContact CD2-CE1 3.63Å; F124-Y143 HydrophobicContact CD2-CE1 3.63Å; F124-Y143 AromaticContact CE2-CE1 3.35Å; F124-Y143 HydrophobicContact CE2-CE1 3.35Å; F124-Y143 AromaticContact CE2-CZ 3.59Å; F124-Y143 WeakPolarHBondContact CE2-OH 3.45Å; F124-Y143 HydrophobicContact CZ-CE1 4.32Å; F124-L183 HydrophobicContact CD1-CD2 4.28Å; F124-L183 HydrophobicContact CE1-CD2 4.28Å; F124-L183 HydrophobicContact CG-CD2 4.43Å; F124-L183 HydrophobicContact CZ-CB 4.44Å; F124-L183 HydrophobicContact CZ-CD2 4.43Å; F124-L186 HydrophobicContact CE1-CB 4.02Å; F124-R187 HydrophobicContact CZ-CB 4.2Å
125	H	63.3	Low	53.4	Low	9 Å²	9	64.2 Å²	64.2	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115	-178.2	-59.5	-115	0	0	0	107.9	I111 K112 N114 E123 Y140	I111-H125 HydrophobicContact CD1-CB 4.31Å; I111-H125 HydrophobicContact CG1-CB 3.91Å; I111-H125 WeakPolarHBondContact CG1-O 3.27Å; I111-H125 PolarHBondContact N-O 2.04Å; K112-H125 HydrophobicContact CD-CB 4.45Å; K112-H125 WeakPolarHBondContact CE-ND1 3.46Å; K112-H125 HydrophobicContact CG-CB 3.56Å; K112-H125 PolarHBondContact O-N 2.9Å; N114-H125 PolarHBondContact ND2-NE2 3.3Å; E123-H125 WeakPolarHBondContact CB-NE2 3.46Å; E123-H125 PolarHBondContact O-CD2 2.71Å; E123-H125 PolarHBondContact O-NE2 2.88Å; E123-H125 IonicContact OE2-CE1 2.87Å; E123-H125 PolarHBondContact OE2-CE1 2.78Å; E123-H125 IonicContact OE2-NE2 2.77Å; E123-H125 PolarHBondContact OE2-NE2 3.31Å; H125-Y140 AromaticContact CE1-CD1 2.86Å; H125-Y140 WeakPolarHBondContact CE1-CD1 3.38Å; H125-Y140 AromaticContact CE1-CE1 2.72Å; H125-Y140 WeakPolarHBondContact CE1-CE1 3.25Å; H125-Y140 AromaticContact CE1-CG 3.99Å; H125-Y140 AromaticContact CE1-CZ 3.76Å; H125-Y140 AromaticContact ND1-CD1 3.31Å; H125-Y140 VanDerWaalsContact ND1-CD1 3.31Å; H125-Y140 WeakPolarHBondContact ND1-CD1 3.42Å; H125-Y140 AromaticContact ND1-CE1 3.22Å; H125-Y140 WeakPolarHBondContact ND1-CE1 3.4Å; H125-Y140 AromaticContact ND1-CE2 3.98Å; H125-Y140 AromaticContact ND1-CG 3.79Å; H125-Y140 AromaticContact ND1-CZ 3.56Å
126	F	61.4	Low	52.2	Low	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.2	175.3	-62.5	-97.5	0	0	0	110.2	L108 Q109 L110 F124 A138 L139 Y141 F178 L186	L108-F126 HydrophobicContact CB-CB 4.43Å; L108-F126 HydrophobicContact CB-CD1 3.97Å; L108-F126 HydrophobicContact CD1-CD1 4.46Å; L108-F126 HydrophobicContact CD2-CB 4.25Å; Q109-F126 CarbonylContact O-C 3.43Å; Q109-F126 VanDerWaalsContact O-CA 3.23Å; Q109-F126 WeakPolarHBondContact O-CA 3.35Å; L110-F126 HydrophobicContact CB-CD1 4.11Å; L110-F126 HydrophobicContact CB-CE1 3.97Å; L110-F126 HydrophobicContact CD1-CD1 4.32Å; L110-F126 HydrophobicContact CD1-CE1 4.05Å; L110-F126 HydrophobicContact CD1-CE2 4.34Å; L110-F126 HydrophobicContact CD1-CZ 4.07Å; F124-F126 HydrophobicContact CB-CD2 4.2Å; F124-F126 HydrophobicContact CB-CE2 3.54Å; F124-F126 HydrophobicContact CB-CZ 4.25Å; F124-F126 HydrophobicContact CD1-CZ 4.47Å; F124-F126 HydrophobicContact CG-CE2 4.42Å; F126-A138 CarbonylContact O-C 3.56Å; F126-A138 WeakPolarHBondContact O-CA 3.44Å; F126-L139 PolarHBondContact N-O 3.29Å; F126-L139 PolarHBondContact O-N 3.26Å; F126-Y141 AromaticContact CD2-CD2 3.46Å; F126-Y141 HydrophobicContact CD2-CD2 3.46Å; F126-Y141 VanDerWaalsContact CD2-CD2 3.46Å; F126-Y141 AromaticContact CD2-CE2 3.78Å; F126-Y141 HydrophobicContact CD2-CE2 3.78Å; F126-Y141 HydrophobicContact CD2-CG 4.46Å; F126-Y141 AromaticContact CE2-CD2 3.68Å; F126-Y141 HydrophobicContact CE2-CD2 3.68Å; F126-Y141 HydrophobicContact CE2-CE2 4.18Å; F126-Y141 HydrophobicContact CE2-CG 4.29Å; F126-F178 HydrophobicContact CD1-CZ 4.37Å; F126-F178 HydrophobicContact CE1-CE1 4.33Å; F126-F178 HydrophobicContact CE1-CE2 4.17Å; F126-F178 AromaticContact CE1-CZ 3.66Å; F126-F178 HydrophobicContact CE1-CZ 3.66Å; F126-F178 AromaticContact CE2-CE2 3.95Å; F126-F178 HydrophobicContact CE2-CE2 3.95Å; F126-F178 HydrophobicContact CE2-CZ 4.28Å; F126-F178 HydrophobicContact CZ-CD2 4.42Å; F126-F178 HydrophobicContact CZ-CE1 4.22Å; F126-F178 AromaticContact CZ-CE2 3.71Å; F126-F178 HydrophobicContact CZ-CE2 3.71Å; F126-F178 AromaticContact CZ-CZ 3.59Å; F126-F178 HydrophobicContact CZ-CZ 3.59Å; F126-L186 HydrophobicContact CE1-CD1 4.32Å; F126-L186 HydrophobicContact CZ-CD1 4.18Å
127	R	59.3	Low	51.5	Low	125 Å²	125	59.8 Å²	59.8	47%	0.472	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.2	161.2	176.8	-176	-66.4	156	-3.8	107.4	Q109 I111 L129	Q109-R127 PolarHBondContact N-O 3.04Å; Q109-R127 PolarHBondContact O-N 3.25Å; I111-R127 HydrophobicContact CD1-CB 4.43Å; I111-R127 HydrophobicContact CG2-CB 3.67Å; R127-L129 HydrophobicContact CG-CD2 4.07Å
128	I	54.8	Low	51.1	Low	12 Å²	12	57.7 Å²	57.7	6%	0.062	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132	165.3	-39.9	-147.4	0	0	0	108.2	I106 S107 L108 D130 F137 L139	I106-I128 HydrophobicContact CG2-CD1 3.78Å; I106-I128 HydrophobicContact CG2-CG2 3.53Å; S107-I128 WeakPolarHBondContact O-CG2 3.15Å; L108-I128 HydrophobicContact CD2-CB 4.22Å; L108-I128 HydrophobicContact CD2-CD1 3.86Å; L108-I128 HydrophobicContact CD2-CG1 3.7Å; L108-I128 HydrophobicContact CD2-CG2 4.15Å; I128-D130 HydrophobicContact CB-CB 4.38Å; I128-D130 HydrophobicContact CG2-CB 3.34Å; I128-D130 PolarHBondContact O-N 3.45Å; I128-F137 HydrophobicContact CB-CE1 3.84Å; I128-F137 HydrophobicContact CB-CE2 4.18Å; I128-F137 HydrophobicContact CB-CZ 3.52Å; I128-F137 HydrophobicContact CD1-CD2 4.25Å; I128-F137 HydrophobicContact CD1-CE1 4.41Å; I128-F137 HydrophobicContact CD1-CE2 3.22Å; I128-F137 HydrophobicContact CD1-CZ 3.31Å; I128-F137 HydrophobicContact CG1-CD2 4.26Å; I128-F137 HydrophobicContact CG1-CE1 4.11Å; I128-F137 HydrophobicContact CG1-CE2 3.54Å; I128-F137 HydrophobicContact CG1-CZ 3.43Å; I128-F137 VanDerWaalsContact CG1-CZ 3.43Å; I128-F137 HydrophobicContact CG2-CZ 4.04Å; I128-L139 HydrophobicContact CD1-CD1 3.45Å; I128-L139 VanDerWaalsContact CD1-CD1 3.45Å; I128-L139 HydrophobicContact CD1-CD2 3.98Å; I128-L139 HydrophobicContact CD1-CG 3.52Å; I128-L139 HydrophobicContact CG1-CD1 4.11Å; I128-L139 HydrophobicContact CG1-CD2 4.49Å; I128-L139 HydrophobicContact CG1-CG 3.79Å
129	L	50.8	Low	50.9	Low	77 Å²	77	53.9 Å²	53.9	40%	0.403	27%	0.271	S	S	.	.			trans	-92.3	26.3	175.7	-56.1	-179.1	0	0	0	111.9	S107 Q109 R127 I197	S107-L129 PolarHBondContact O-N 2.97Å; Q109-L129 HydrophobicContact CB-CD1 4.11Å; Q109-L129 HydrophobicContact CB-CD2 4.29Å; Q109-L129 HydrophobicContact CB-CG 4.2Å; R127-L129 HydrophobicContact CG-CD2 4.07Å; L129-I197 HydrophobicContact CD1-CD1 4.25Å; L129-I197 HydrophobicContact CD1-CG1 4.44Å; L129-I197 HydrophobicContact CD1-CG2 4.44Å
130	D	45.5	Very low	50.9	Low	18 Å²	18	47.8 Å²	47.8	10%	0.096	24%	0.241	C	C	.	.			trans	-97.5	115	-169.9	180	2.7	0	0	0	111.3	I128 R132 W133	I128-D130 HydrophobicContact CB-CB 4.38Å; I128-D130 HydrophobicContact CG2-CB 3.34Å; I128-D130 PolarHBondContact O-N 3.45Å; D130-R132 VanDerWaalsContact CG-NH2 3.29Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 VanDerWaalsContact OD1-CB 3.23Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 VanDerWaalsContact OD1-CG 3.24Å; D130-R132 WeakPolarHBondContact OD1-CG 3.48Å; D130-R132 IonicContact OD1-CZ 3.16Å; D130-R132 PolarHBondContact OD1-N 3.23Å; D130-R132 IonicContact OD1-NE 2.68Å; D130-R132 PolarHBondContact OD1-NE 2.8Å; D130-R132 IonicContact OD1-NH2 3.4Å; D130-R132 IonicContact OD2-CZ 2.67Å; D130-R132 IonicContact OD2-NE 2.69Å; D130-R132 PolarHBondContact OD2-NE 3Å; D130-R132 IonicContact OD2-NH2 2.69Å; D130-R132 PolarHBondContact OD2-NH2 3.44Å; D130-W133 VanDerWaalsContact CG-CD1 3.49Å; D130-W133 VanDerWaalsContact OD2-CD1 3.3Å; D130-W133 PolarHBondContact OD2-NE1 3.12Å
131	Y	41.3	Very low	50.5	Low	107 Å²	107	48.2 Å²	48.2	42%	0.42	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.8	-179.2	66.1	-92	0	0	0	114	A95 W133	A95-Y131 HydrophobicContact CB-CE2 3.97Å; Y131-W133 PolarHBondContact O-N 3.22Å; Y131-W133 VanDerWaalsContact O-N 3.13Å
132	R	38.5	Very low	50.1	Low	66 Å²	66	47.3 Å²	47.3	25%	0.249	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.8	179.4	-66.1	174.3	-68.8	-145.8	-10.3	113	I102 N104 D130	I102-R132 PolarHBondContact O-NH1 2.94Å; N104-R132 PolarHBondContact O-NH1 3.3Å; N104-R132 PolarHBondContact O-NH2 3.13Å; D130-R132 VanDerWaalsContact CG-NH2 3.29Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 VanDerWaalsContact OD1-CB 3.23Å; D130-R132 WeakPolarHBondContact OD1-CB 3.23Å; D130-R132 VanDerWaalsContact OD1-CG 3.24Å; D130-R132 WeakPolarHBondContact OD1-CG 3.48Å; D130-R132 IonicContact OD1-CZ 3.16Å; D130-R132 PolarHBondContact OD1-N 3.23Å; D130-R132 IonicContact OD1-NE 2.68Å; D130-R132 PolarHBondContact OD1-NE 2.8Å; D130-R132 IonicContact OD1-NH2 3.4Å; D130-R132 IonicContact OD2-CZ 2.67Å; D130-R132 IonicContact OD2-NE 2.69Å; D130-R132 PolarHBondContact OD2-NE 3Å; D130-R132 IonicContact OD2-NH2 2.69Å; D130-R132 PolarHBondContact OD2-NH2 3.44Å
133	W	37.4	Very low	49.8	Very low	96 Å²	96	47.6 Å²	47.6	36%	0.364	24%	0.237	S	C	.	.			trans	-101.3	104.7	-175.3	-57.3	73.8	0	0	0	110.4	D130 Y131 K135 F137 F175	D130-W133 VanDerWaalsContact CG-CD1 3.49Å; D130-W133 VanDerWaalsContact OD2-CD1 3.3Å; D130-W133 PolarHBondContact OD2-NE1 3.12Å; Y131-W133 PolarHBondContact O-N 3.22Å; Y131-W133 VanDerWaalsContact O-N 3.13Å; W133-K135 PolarHBondContact O-N 2.87Å; W133-K135 VanDerWaalsContact O-N 3.07Å; W133-F137 HydrophobicContact CB-CD1 3.74Å; W133-F137 HydrophobicContact CB-CE1 3.34Å; W133-F137 HydrophobicContact CB-CZ 4.03Å; W133-F137 AromaticContact CD1-CE1 3.49Å; W133-F137 VanDerWaalsContact CD1-CE1 3.49Å; W133-F137 AromaticContact CD1-CZ 3.4Å; W133-F137 HydrophobicContact CD2-CD1 4.16Å; W133-F137 HydrophobicContact CD2-CD2 4.34Å; W133-F137 AromaticContact CD2-CE1 3.53Å; W133-F137 HydrophobicContact CD2-CE1 3.53Å; W133-F137 AromaticContact CD2-CE2 3.65Å; W133-F137 HydrophobicContact CD2-CE2 3.65Å; W133-F137 AromaticContact CD2-CZ 3.21Å; W133-F137 HydrophobicContact CD2-CZ 3.21Å; W133-F137 AromaticContact CE2-CE2 3.73Å; W133-F137 AromaticContact CE2-CZ 3.32Å; W133-F137 HydrophobicContact CE3-CD1 4.33Å; W133-F137 HydrophobicContact CE3-CD2 4.08Å; W133-F137 HydrophobicContact CE3-CE1 4.11Å; W133-F137 AromaticContact CE3-CE2 3.76Å; W133-F137 HydrophobicContact CE3-CE2 3.76Å; W133-F137 HydrophobicContact CE3-CG 4.35Å; W133-F137 AromaticContact CE3-CZ 3.8Å; W133-F137 HydrophobicContact CE3-CZ 3.8Å; W133-F137 AromaticContact CG-CD1 3.93Å; W133-F137 HydrophobicContact CG-CD1 3.93Å; W133-F137 AromaticContact CG-CE1 3.15Å; W133-F137 HydrophobicContact CG-CE1 3.15Å; W133-F137 HydrophobicContact CG-CE2 4.2Å; W133-F137 AromaticContact CG-CZ 3.3Å; W133-F137 HydrophobicContact CG-CZ 3.3Å; W133-F137 HydrophobicContact CH2-CE2 4.06Å; W133-F137 HydrophobicContact CH2-CZ 4.48Å; W133-F137 AromaticContact CZ2-CE2 3.95Å; W133-F137 HydrophobicContact CZ2-CE2 3.95Å; W133-F137 AromaticContact CZ2-CZ 3.99Å; W133-F137 HydrophobicContact CZ2-CZ 3.99Å; W133-F137 HydrophobicContact CZ3-CD2 4.31Å; W133-F137 AromaticContact CZ3-CE2 3.97Å; W133-F137 HydrophobicContact CZ3-CE2 3.97Å; W133-F137 HydrophobicContact CZ3-CZ 4.4Å; W133-F137 AromaticContact NE1-CZ 3.43Å; W133-F175 AromaticContact CH2-CE1 3.87Å; W133-F175 HydrophobicContact CH2-CE1 3.87Å; W133-F175 HydrophobicContact CH2-CZ 4.16Å; W133-F175 AromaticContact CZ2-CE1 3.95Å; W133-F175 HydrophobicContact CZ2-CE1 3.95Å
134	S	33.8	Very low	49.1	Very low	129 Å²	129	49.4 Å²	49.4	90%	0.902	25%	0.247	S	C	*	.	S	Bend	trans	-63	-12.7	177.5	59.2	0	0	0	0	114.2
135	K	39	Very low	48.4	Very low	145 Å²	145	52.1 Å²	52.1	63%	0.63	26%	0.258	S	S	*	.	S	Bend	trans	-109.2	128.7	170.7	-64.1	-178	179.7	-178.3	0	109.3	W133 F137	W133-K135 PolarHBondContact O-N 2.87Å; W133-K135 VanDerWaalsContact O-N 3.07Å; K135-F137 WeakPolarHBondContact O-CD1 3.38Å; K135-F137 PolarHBondContact O-N 2.91Å
136	A	41.1	Very low	47.9	Very low	62 Å²	62	55.5 Å²	55.5	51%	0.512	28%	0.276	S	S	.	.			trans	-64.1	127.6	168.7	0	0	0	0	0	109.7
137	F	43.8	Very low	47.3	Very low	22 Å²	22	62.4 Å²	62.4	10%	0.096	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157	-173.3	71.1	-58.2	0	0	0	109.9	I128 W133 K135 L139 V160 Y161	I128-F137 HydrophobicContact CB-CE1 3.84Å; I128-F137 HydrophobicContact CB-CE2 4.18Å; I128-F137 HydrophobicContact CB-CZ 3.52Å; I128-F137 HydrophobicContact CD1-CD2 4.25Å; I128-F137 HydrophobicContact CD1-CE1 4.41Å; I128-F137 HydrophobicContact CD1-CE2 3.22Å; I128-F137 HydrophobicContact CD1-CZ 3.31Å; I128-F137 HydrophobicContact CG1-CD2 4.26Å; I128-F137 HydrophobicContact CG1-CE1 4.11Å; I128-F137 HydrophobicContact CG1-CE2 3.54Å; I128-F137 HydrophobicContact CG1-CZ 3.43Å; I128-F137 VanDerWaalsContact CG1-CZ 3.43Å; I128-F137 HydrophobicContact CG2-CZ 4.04Å; W133-F137 HydrophobicContact CB-CD1 3.74Å; W133-F137 HydrophobicContact CB-CE1 3.34Å; W133-F137 HydrophobicContact CB-CZ 4.03Å; W133-F137 AromaticContact CD1-CE1 3.49Å; W133-F137 VanDerWaalsContact CD1-CE1 3.49Å; W133-F137 AromaticContact CD1-CZ 3.4Å; W133-F137 HydrophobicContact CD2-CD1 4.16Å; W133-F137 HydrophobicContact CD2-CD2 4.34Å; W133-F137 AromaticContact CD2-CE1 3.53Å; W133-F137 HydrophobicContact CD2-CE1 3.53Å; W133-F137 AromaticContact CD2-CE2 3.65Å; W133-F137 HydrophobicContact CD2-CE2 3.65Å; W133-F137 AromaticContact CD2-CZ 3.21Å; W133-F137 HydrophobicContact CD2-CZ 3.21Å; W133-F137 AromaticContact CE2-CE2 3.73Å; W133-F137 AromaticContact CE2-CZ 3.32Å; W133-F137 HydrophobicContact CE3-CD1 4.33Å; W133-F137 HydrophobicContact CE3-CD2 4.08Å; W133-F137 HydrophobicContact CE3-CE1 4.11Å; W133-F137 AromaticContact CE3-CE2 3.76Å; W133-F137 HydrophobicContact CE3-CE2 3.76Å; W133-F137 HydrophobicContact CE3-CG 4.35Å; W133-F137 AromaticContact CE3-CZ 3.8Å; W133-F137 HydrophobicContact CE3-CZ 3.8Å; W133-F137 AromaticContact CG-CD1 3.93Å; W133-F137 HydrophobicContact CG-CD1 3.93Å; W133-F137 AromaticContact CG-CE1 3.15Å; W133-F137 HydrophobicContact CG-CE1 3.15Å; W133-F137 HydrophobicContact CG-CE2 4.2Å; W133-F137 AromaticContact CG-CZ 3.3Å; W133-F137 HydrophobicContact CG-CZ 3.3Å; W133-F137 HydrophobicContact CH2-CE2 4.06Å; W133-F137 HydrophobicContact CH2-CZ 4.48Å; W133-F137 AromaticContact CZ2-CE2 3.95Å; W133-F137 HydrophobicContact CZ2-CE2 3.95Å; W133-F137 AromaticContact CZ2-CZ 3.99Å; W133-F137 HydrophobicContact CZ2-CZ 3.99Å; W133-F137 HydrophobicContact CZ3-CD2 4.31Å; W133-F137 AromaticContact CZ3-CE2 3.97Å; W133-F137 HydrophobicContact CZ3-CE2 3.97Å; W133-F137 HydrophobicContact CZ3-CZ 4.4Å; W133-F137 AromaticContact NE1-CZ 3.43Å; K135-F137 WeakPolarHBondContact O-CD1 3.38Å; K135-F137 PolarHBondContact O-N 2.91Å; F137-L139 HydrophobicContact CD2-CD2 4.3Å; F137-L139 HydrophobicContact CE2-CD2 4.28Å; F137-V160 HydrophobicContact CB-CG1 4.31Å; F137-V160 HydrophobicContact CD2-CG1 4.09Å; F137-Y161 VanDerWaalsContact CA-O 3.25Å; F137-Y161 WeakPolarHBondContact CA-O 3.33Å
138	A	47.6	Very low	47.2	Very low	17 Å²	17	59.9 Å²	59.9	14%	0.14	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.8	174.5	0	0	0	0	0	109.8	F126 Y140 Y161	F126-A138 CarbonylContact O-C 3.56Å; F126-A138 WeakPolarHBondContact O-CA 3.44Å; A138-Y140 HydrophobicContact CB-CD2 4.26Å; A138-Y140 HydrophobicContact CB-CE2 3.76Å; A138-Y161 PolarHBondContact N-O 3.07Å; A138-Y161 VanDerWaalsContact N-O 3.12Å; A138-Y161 PolarHBondContact O-N 3.21Å
139	L	49.9	Very low	47.5	Very low	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.1	175.1	-60.1	-170	0	0	0	109.6	L108 F126 I128 F137 Y141 V158 V160	L108-L139 HydrophobicContact CD2-CD1 4.06Å; F126-L139 PolarHBondContact N-O 3.29Å; F126-L139 PolarHBondContact O-N 3.26Å; I128-L139 HydrophobicContact CD1-CD1 3.45Å; I128-L139 VanDerWaalsContact CD1-CD1 3.45Å; I128-L139 HydrophobicContact CD1-CD2 3.98Å; I128-L139 HydrophobicContact CD1-CG 3.52Å; I128-L139 HydrophobicContact CG1-CD1 4.11Å; I128-L139 HydrophobicContact CG1-CD2 4.49Å; I128-L139 HydrophobicContact CG1-CG 3.79Å; F137-L139 HydrophobicContact CD2-CD2 4.3Å; F137-L139 HydrophobicContact CE2-CD2 4.28Å; L139-Y141 HydrophobicContact CB-CD2 4.24Å; L139-Y141 HydrophobicContact CB-CE2 3.6Å; L139-Y141 HydrophobicContact CD1-CE2 3.88Å; L139-Y141 VanDerWaalsContact CD1-OH 3.25Å; L139-Y141 WeakPolarHBondContact CD1-OH 3.43Å; L139-Y141 HydrophobicContact CG-CE2 4.42Å; L139-V158 HydrophobicContact CB-CG1 4.49Å; L139-V158 HydrophobicContact CD1-CG1 4.46Å; L139-V158 HydrophobicContact CD2-CG1 3.83Å; L139-V158 HydrophobicContact CG-CG1 4.49Å; L139-V160 HydrophobicContact CD2-CG2 3.81Å
140	Y	49.4	Very low	47.4	Very low	35 Å²	35	62 Å²	62	14%	0.137	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.5	175.9	-64.9	-145.5	0	0	0	106.8	F124 H125 A138 K159 Y161	F124-Y140 WeakPolarHBondContact O-CA 3.16Å; H125-Y140 AromaticContact CE1-CD1 2.86Å; H125-Y140 WeakPolarHBondContact CE1-CD1 3.38Å; H125-Y140 AromaticContact CE1-CE1 2.72Å; H125-Y140 WeakPolarHBondContact CE1-CE1 3.25Å; H125-Y140 AromaticContact CE1-CG 3.99Å; H125-Y140 AromaticContact CE1-CZ 3.76Å; H125-Y140 AromaticContact ND1-CD1 3.31Å; H125-Y140 VanDerWaalsContact ND1-CD1 3.31Å; H125-Y140 WeakPolarHBondContact ND1-CD1 3.42Å; H125-Y140 AromaticContact ND1-CE1 3.22Å; H125-Y140 WeakPolarHBondContact ND1-CE1 3.4Å; H125-Y140 AromaticContact ND1-CE2 3.98Å; H125-Y140 AromaticContact ND1-CG 3.79Å; H125-Y140 AromaticContact ND1-CZ 3.56Å; A138-Y140 HydrophobicContact CB-CD2 4.26Å; A138-Y140 HydrophobicContact CB-CE2 3.76Å; Y140-K159 PolarHBondContact N-O 2.9Å; Y140-K159 PolarHBondContact O-N 3.34Å; Y140-Y161 AromaticContact CD1-CD2 3.7Å; Y140-Y161 HydrophobicContact CD1-CD2 3.7Å; Y140-Y161 HydrophobicContact CD1-CE1 4.46Å; Y140-Y161 AromaticContact CD1-CE2 3.2Å; Y140-Y161 HydrophobicContact CD1-CE2 3.2Å; Y140-Y161 HydrophobicContact CD1-CG 4.49Å; Y140-Y161 AromaticContact CD1-CZ 3.65Å; Y140-Y161 AromaticContact CD2-CD2 3.2Å; Y140-Y161 HydrophobicContact CD2-CD2 3.2Å; Y140-Y161 AromaticContact CD2-CE2 3.62Å; Y140-Y161 HydrophobicContact CD2-CE2 3.62Å; Y140-Y161 AromaticContact CD2-CG 3.93Å; Y140-Y161 HydrophobicContact CD2-CG 3.93Å; Y140-Y161 HydrophobicContact CE1-CD1 4.18Å; Y140-Y161 AromaticContact CE1-CD2 3.75Å; Y140-Y161 HydrophobicContact CE1-CD2 3.75Å; Y140-Y161 AromaticContact CE1-CE1 3.94Å; Y140-Y161 HydrophobicContact CE1-CE1 3.94Å; Y140-Y161 AromaticContact CE1-CE2 3.46Å; Y140-Y161 HydrophobicContact CE1-CE2 3.46Å; Y140-Y161 VanDerWaalsContact CE1-CE2 3.46Å; Y140-Y161 HydrophobicContact CE1-CG 4.09Å; Y140-Y161 AromaticContact CE1-CZ 3.57Å; Y140-Y161 HydrophobicContact CE2-CD1 4.3Å; Y140-Y161 AromaticContact CE2-CD2 3.31Å; Y140-Y161 HydrophobicContact CE2-CD2 3.31Å; Y140-Y161 AromaticContact CE2-CE2 3.9Å; Y140-Y161 HydrophobicContact CE2-CE2 3.9Å; Y140-Y161 AromaticContact CE2-CG 3.53Å; Y140-Y161 HydrophobicContact CE2-CG 3.53Å; Y140-Y161 AromaticContact CG-CD2 3.44Å; Y140-Y161 HydrophobicContact CG-CD2 3.44Å; Y140-Y161 VanDerWaalsContact CG-CD2 3.44Å; Y140-Y161 AromaticContact CG-CE2 3.29Å; Y140-Y161 HydrophobicContact CG-CE2 3.29Å; Y140-Y161 HydrophobicContact CG-CG 4.43Å; Y140-Y161 AromaticContact CZ-CD1 3.9Å; Y140-Y161 AromaticContact CZ-CD2 3.58Å; Y140-Y161 AromaticContact CZ-CE2 3.83Å; Y140-Y161 AromaticContact CZ-CG 3.6Å
141	Y	51	Low	47.5	Very low	22 Å²	22	70.1 Å²	70.1	9%	0.086	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.4	175.7	-70.5	-100.8	0	0	0	108	E123 F124 F126 L139 V158 V176 F178	E123-Y141 CarbonylContact C-O 3.58Å; E123-Y141 WeakPolarHBondContact CA-O 3.39Å; F124-Y141 PolarHBondContact N-O 2.99Å; F124-Y141 PolarHBondContact O-N 3.07Å; F126-Y141 AromaticContact CD2-CD2 3.46Å; F126-Y141 HydrophobicContact CD2-CD2 3.46Å; F126-Y141 VanDerWaalsContact CD2-CD2 3.46Å; F126-Y141 AromaticContact CD2-CE2 3.78Å; F126-Y141 HydrophobicContact CD2-CE2 3.78Å; F126-Y141 HydrophobicContact CD2-CG 4.46Å; F126-Y141 AromaticContact CE2-CD2 3.68Å; F126-Y141 HydrophobicContact CE2-CD2 3.68Å; F126-Y141 HydrophobicContact CE2-CE2 4.18Å; F126-Y141 HydrophobicContact CE2-CG 4.29Å; L139-Y141 HydrophobicContact CB-CD2 4.24Å; L139-Y141 HydrophobicContact CB-CE2 3.6Å; L139-Y141 HydrophobicContact CD1-CE2 3.88Å; L139-Y141 VanDerWaalsContact CD1-OH 3.25Å; L139-Y141 WeakPolarHBondContact CD1-OH 3.43Å; L139-Y141 HydrophobicContact CG-CE2 4.42Å; Y141-V158 HydrophobicContact CD1-CG2 4.07Å; Y141-V158 HydrophobicContact CE1-CG2 3.51Å; Y141-V176 WeakPolarHBondContact OH-CB 3.49Å; Y141-F178 HydrophobicContact CD1-CD2 4.43Å; Y141-F178 HydrophobicContact CE1-CD2 4.24Å; Y141-F178 HydrophobicContact CE1-CE2 4.42Å; Y141-F178 HydrophobicContact CE2-CE2 4.35Å
142	G	51.2	Low	47.8	Very low	18 Å²	18	66 Å²	66	19%	0.186	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	102.6	178.2	0	0	0	0	0	111.2
143	Y	55.7	Low	48.5	Very low	11 Å²	11	66.3 Å²	66.3	4%	0.043	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.1	176.1	61.5	-106	0	0	0	111.5	P121 V122 F124 Y145 V152 L183	P121-Y143 WeakPolarHBondContact CA-O 3.2Å; P121-Y143 WeakPolarHBondContact CB-O 3.09Å; V122-Y143 HydrophobicContact CB-CE1 4.47Å; V122-Y143 HydrophobicContact CB-CE2 4.01Å; V122-Y143 HydrophobicContact CG2-CE2 4.12Å; V122-Y143 PolarHBondContact N-O 3.32Å; F124-Y143 HydrophobicContact CD2-CD1 4.45Å; F124-Y143 AromaticContact CD2-CE1 3.63Å; F124-Y143 HydrophobicContact CD2-CE1 3.63Å; F124-Y143 AromaticContact CE2-CE1 3.35Å; F124-Y143 HydrophobicContact CE2-CE1 3.35Å; F124-Y143 AromaticContact CE2-CZ 3.59Å; F124-Y143 WeakPolarHBondContact CE2-OH 3.45Å; F124-Y143 HydrophobicContact CZ-CE1 4.32Å; Y143-Y145 PolarHBondContact O-N 3.28Å; Y143-V152 HydrophobicContact CD1-CG1 4.23Å; Y143-V152 HydrophobicContact CD2-CB 4.14Å; Y143-V152 HydrophobicContact CD2-CG1 3.34Å; Y143-V152 HydrophobicContact CD2-CG2 3.83Å; Y143-V152 HydrophobicContact CE2-CB 4.32Å; Y143-V152 HydrophobicContact CE2-CG1 3.87Å; Y143-V152 HydrophobicContact CE2-CG2 3.51Å; Y143-V152 HydrophobicContact CG-CG1 3.52Å; Y143-L183 HydrophobicContact CD1-CD1 4.15Å; Y143-L183 HydrophobicContact CE1-CB 4.5Å; Y143-L183 HydrophobicContact CE1-CD1 3.78Å; Y143-L183 HydrophobicContact CE1-CG 4.49Å
144	L	51.4	Low	49.1	Very low	66 Å²	66	66 Å²	66	35%	0.346	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.5	169.8	-73.1	171.8	0	0	0	109.3	P121 N153	P121-L144 HydrophobicContact CB-CD2 4.23Å; P121-L144 HydrophobicContact CG-CD2 4.39Å; L144-N153 HydrophobicContact CB-CB 4.44Å; L144-N153 PolarHBondContact O-N 2.99Å
145	Y	49.5	Very low	49.4	Very low	57 Å²	57	66.5 Å²	66.5	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	111.6	169.9	-179.2	-109.5	0	0	0	109.5	Y143 K147 V152	Y143-Y145 PolarHBondContact O-N 3.28Å; Y145-K147 HydrophobicContact CD1-CB 4.24Å; Y145-K147 HydrophobicContact CE1-CB 3.87Å; Y145-K147 HydrophobicContact CE1-CG 4.16Å; Y145-K147 PolarHBondContact O-N 3.46Å; Y145-V152 HydrophobicContact CD2-CG2 3.85Å
146	D	53.3	Low	49.7	Very low	80 Å²	80	66 Å²	66	43%	0.428	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	100.6	171.6	176.7	5	0	0	0	109.6	G148 T149 G150 R151	D146-G148 PolarHBondContact O-N 2.81Å; D146-G148 WeakPolarHBondContact OD1-CA 3.46Å; D146-G148 PolarHBondContact OD1-N 2.95Å; D146-T149 WeakPolarHBondContact CB-OG1 3.24Å; D146-T149 PolarHBondContact O-N 3.36Å; D146-T149 PolarHBondContact OD1-N 3Å; D146-T149 WeakPolarHBondContact OD2-CB 3.27Å; D146-T149 WeakPolarHBondContact OD2-CG2 3.47Å; D146-T149 PolarHBondContact OD2-OG1 2.97Å; D146-G150 WeakPolarHBondContact O-CA 3.4Å; D146-G150 PolarHBondContact O-N 3.34Å; D146-R151 PolarHBondContact N-O 3.21Å; D146-R151 PolarHBondContact O-N 3.49Å
147	K	49.9	Very low	49.9	Very low	144 Å²	144	67.6 Å²	67.6	63%	0.626	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.3	176.8	-168.5	174.1	-176	175.2	0	113.4	Y145	Y145-K147 HydrophobicContact CD1-CB 4.24Å; Y145-K147 HydrophobicContact CE1-CB 3.87Å; Y145-K147 HydrophobicContact CE1-CG 4.16Å; Y145-K147 PolarHBondContact O-N 3.46Å
148	G	55.6	Low	50.2	Low	73 Å²	73	66.5 Å²	66.5	75%	0.753	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-35	178	0	0	0	0	0	113.1	D146	D146-G148 PolarHBondContact O-N 2.81Å; D146-G148 WeakPolarHBondContact OD1-CA 3.46Å; D146-G148 PolarHBondContact OD1-N 2.95Å
149	T	60.9	Low	50.4	Low	85 Å²	85	67.7 Å²	67.7	52%	0.521	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-10.1	175.1	61.1	0	0	0	0	114.2	D146 R151	D146-T149 WeakPolarHBondContact CB-OG1 3.24Å; D146-T149 PolarHBondContact O-N 3.36Å; D146-T149 PolarHBondContact OD1-N 3Å; D146-T149 WeakPolarHBondContact OD2-CB 3.27Å; D146-T149 WeakPolarHBondContact OD2-CG2 3.47Å; D146-T149 PolarHBondContact OD2-OG1 2.97Å; T149-R151 PolarHBondContact O-N 2.79Å; T149-R151 WeakPolarHBondContact OG1-CB 3.37Å
150	G	48.8	Very low	50.3	Low	49 Å²	49	68.8 Å²	68.8	51%	0.505	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	17.1	-172.3	0	0	0	0	0	113.4	D146	D146-G150 WeakPolarHBondContact O-CA 3.4Å; D146-G150 PolarHBondContact O-N 3.34Å
151	R	47.6	Very low	50.4	Low	187 Å²	187	68.9 Å²	68.9	71%	0.706	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.4	-173.9	-64.9	-179.3	175.5	-170.7	-2.4	111.7	D146 T149	D146-R151 PolarHBondContact N-O 3.21Å; D146-R151 PolarHBondContact O-N 3.49Å; T149-R151 PolarHBondContact O-N 2.79Å; T149-R151 WeakPolarHBondContact OG1-CB 3.37Å
152	V	48	Very low	50.3	Low	21 Å²	21	69.6 Å²	69.6	13%	0.127	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.7	165.9	170.8	0	0	0	0	108.7	Y143 Y145 Y154	Y143-V152 HydrophobicContact CD1-CG1 4.23Å; Y143-V152 HydrophobicContact CD2-CB 4.14Å; Y143-V152 HydrophobicContact CD2-CG1 3.34Å; Y143-V152 HydrophobicContact CD2-CG2 3.83Å; Y143-V152 HydrophobicContact CE2-CB 4.32Å; Y143-V152 HydrophobicContact CE2-CG1 3.87Å; Y143-V152 HydrophobicContact CE2-CG2 3.51Å; Y143-V152 HydrophobicContact CG-CG1 3.52Å; Y145-V152 HydrophobicContact CD2-CG2 3.85Å; V152-Y154 HydrophobicContact CB-CD1 4.48Å; V152-Y154 HydrophobicContact CB-CE1 3.86Å; V152-Y154 HydrophobicContact CB-CE2 4.01Å; V152-Y154 HydrophobicContact CG1-CD1 3.66Å; V152-Y154 HydrophobicContact CG1-CD2 4.29Å; V152-Y154 HydrophobicContact CG1-CE1 3.44Å; V152-Y154 VanDerWaalsContact CG1-CE1 3.44Å; V152-Y154 HydrophobicContact CG1-CE2 4.11Å; V152-Y154 HydrophobicContact CG1-CG 4.06Å; V152-Y154 WeakPolarHBondContact O-CD2 3.46Å; V152-Y154 WeakPolarHBondContact O-CE2 3.42Å
153	N	52.8	Low	50.3	Low	73 Å²	73	77.1 Å²	77.1	39%	0.39	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	107.3	166.1	-173.1	-22.4	0	0	0	109.4	L144 D155	L144-N153 HydrophobicContact CB-CB 4.44Å; L144-N153 PolarHBondContact O-N 2.99Å; N153-D155 PolarHBondContact OD1-N 2.75Å
154	Y	49.8	Very low	50.2	Low	88 Å²	88	82.8 Å²	82.8	35%	0.345	42%	0.42	S	S	.	.			trans	-81.5	-12.4	-172.4	-54.9	-86.6	0	0	0	114.6	V152 R156 S180 L183	V152-Y154 HydrophobicContact CB-CD1 4.48Å; V152-Y154 HydrophobicContact CB-CE1 3.86Å; V152-Y154 HydrophobicContact CB-CE2 4.01Å; V152-Y154 HydrophobicContact CG1-CD1 3.66Å; V152-Y154 HydrophobicContact CG1-CD2 4.29Å; V152-Y154 HydrophobicContact CG1-CE1 3.44Å; V152-Y154 VanDerWaalsContact CG1-CE1 3.44Å; V152-Y154 HydrophobicContact CG1-CE2 4.11Å; V152-Y154 HydrophobicContact CG1-CG 4.06Å; V152-Y154 WeakPolarHBondContact O-CD2 3.46Å; V152-Y154 WeakPolarHBondContact O-CE2 3.42Å; Y154-R156 PolarHBondContact O-N 2.78Å; Y154-S180 WeakPolarHBondContact OH-CA 3.1Å; Y154-S180 WeakPolarHBondContact OH-CB 3.29Å; Y154-S180 PolarHBondContact OH-N 2.83Å; Y154-S180 PolarHBondContact OH-OG 3.46Å; Y154-S180 VanDerWaalsContact OH-OG 3.14Å; Y154-L183 HydrophobicContact CE1-CD1 4.19Å
155	D	42.1	Very low	50.2	Low	141 Å²	141	85.4 Å²	85.4	75%	0.754	44%	0.435	S	S	*	.			trans	-77.9	33.7	-171.1	-67.2	-23.9	0	0	0	113.4	N153	N153-D155 PolarHBondContact OD1-N 2.75Å
156	R	44	Very low	50.1	Low	134 Å²	134	85.9 Å²	85.9	51%	0.506	44%	0.444	S	S	.	.			trans	-132.2	119.2	-174.9	-66.5	-165.6	178.4	-152.3	-0.8	114.5	Y154	Y154-R156 PolarHBondContact O-N 2.78Å
157	M	46.4	Very low	49.9	Very low	95 Å²	95	85.1 Å²	85.1	47%	0.468	44%	0.442	S	S	.	.			trans	32	111	154.6	-51.3	-165.3	-44.9	0	0	117.8
158	V	48.4	Very low	49.9	Very low	0 Å²	0	83 Å²	83	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.9	149.8	170.5	0	0	0	0	106.8	L139 Y141 V160 V170	L139-V158 HydrophobicContact CB-CG1 4.49Å; L139-V158 HydrophobicContact CD1-CG1 4.46Å; L139-V158 HydrophobicContact CD2-CG1 3.83Å; L139-V158 HydrophobicContact CG-CG1 4.49Å; Y141-V158 HydrophobicContact CD1-CG2 4.07Å; Y141-V158 HydrophobicContact CE1-CG2 3.51Å; V158-V160 HydrophobicContact CG1-CG2 4.36Å; V158-V170 HydrophobicContact CB-CB 4.34Å; V158-V170 PolarHBondContact N-O 2.92Å; V158-V170 WeakPolarHBondContact O-CA 3.45Å; V158-V170 WeakPolarHBondContact O-CB 3.43Å; V158-V170 PolarHBondContact O-N 2.85Å
159	K	52.6	Low	49.5	Very low	42 Å²	42	84.1 Å²	84.1	18%	0.183	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	121	167	-60	171.1	-171	166	0	107.8	E123 Y140 Y161 V167	E123-K159 IonicContact OE1-NZ 2.7Å; E123-K159 PolarHBondContact OE1-NZ 3.29Å; Y140-K159 PolarHBondContact N-O 2.9Å; Y140-K159 PolarHBondContact O-N 3.34Å; K159-Y161 HydrophobicContact CB-CD2 3.96Å; K159-Y161 HydrophobicContact CB-CE2 3.49Å; K159-Y161 VanDerWaalsContact CB-CE2 3.49Å; K159-Y161 HydrophobicContact CD-CE2 3.74Å; K159-Y161 HydrophobicContact CG-CE2 4.29Å; K159-V167 HydrophobicContact CB-CG1 3.97Å; K159-V167 HydrophobicContact CD-CG1 4.09Å; K159-V167 HydrophobicContact CG-CG1 3.85Å
160	V	48.8	Very low	48.6	Very low	23 Å²	23	81.4 Å²	81.4	14%	0.139	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.1	167.5	177.8	0	0	0	0	107.3	F137 L139 V158 D168 V170	F137-V160 HydrophobicContact CB-CG1 4.31Å; F137-V160 HydrophobicContact CD2-CG1 4.09Å; L139-V160 HydrophobicContact CD2-CG2 3.81Å; V158-V160 HydrophobicContact CG1-CG2 4.36Å; V160-D168 PolarHBondContact N-O 2.97Å; V160-D168 PolarHBondContact O-N 3.45Å; V160-V170 HydrophobicContact CB-CG2 4.49Å; V160-V170 HydrophobicContact CG2-CG2 3.71Å
161	Y	50.8	Low	48.4	Very low	37 Å²	37	82.2 Å²	82.2	15%	0.145	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.5	172.1	-74.2	-109.7	0	0	0	109.7	F137 A138 Y140 K159 T166 V167	F137-Y161 VanDerWaalsContact CA-O 3.25Å; F137-Y161 WeakPolarHBondContact CA-O 3.33Å; A138-Y161 PolarHBondContact N-O 3.07Å; A138-Y161 VanDerWaalsContact N-O 3.12Å; A138-Y161 PolarHBondContact O-N 3.21Å; Y140-Y161 AromaticContact CD1-CD2 3.7Å; Y140-Y161 HydrophobicContact CD1-CD2 3.7Å; Y140-Y161 HydrophobicContact CD1-CE1 4.46Å; Y140-Y161 AromaticContact CD1-CE2 3.2Å; Y140-Y161 HydrophobicContact CD1-CE2 3.2Å; Y140-Y161 HydrophobicContact CD1-CG 4.49Å; Y140-Y161 AromaticContact CD1-CZ 3.65Å; Y140-Y161 AromaticContact CD2-CD2 3.2Å; Y140-Y161 HydrophobicContact CD2-CD2 3.2Å; Y140-Y161 AromaticContact CD2-CE2 3.62Å; Y140-Y161 HydrophobicContact CD2-CE2 3.62Å; Y140-Y161 AromaticContact CD2-CG 3.93Å; Y140-Y161 HydrophobicContact CD2-CG 3.93Å; Y140-Y161 HydrophobicContact CE1-CD1 4.18Å; Y140-Y161 AromaticContact CE1-CD2 3.75Å; Y140-Y161 HydrophobicContact CE1-CD2 3.75Å; Y140-Y161 AromaticContact CE1-CE1 3.94Å; Y140-Y161 HydrophobicContact CE1-CE1 3.94Å; Y140-Y161 AromaticContact CE1-CE2 3.46Å; Y140-Y161 HydrophobicContact CE1-CE2 3.46Å; Y140-Y161 VanDerWaalsContact CE1-CE2 3.46Å; Y140-Y161 HydrophobicContact CE1-CG 4.09Å; Y140-Y161 AromaticContact CE1-CZ 3.57Å; Y140-Y161 HydrophobicContact CE2-CD1 4.3Å; Y140-Y161 AromaticContact CE2-CD2 3.31Å; Y140-Y161 HydrophobicContact CE2-CD2 3.31Å; Y140-Y161 AromaticContact CE2-CE2 3.9Å; Y140-Y161 HydrophobicContact CE2-CE2 3.9Å; Y140-Y161 AromaticContact CE2-CG 3.53Å; Y140-Y161 HydrophobicContact CE2-CG 3.53Å; Y140-Y161 AromaticContact CG-CD2 3.44Å; Y140-Y161 HydrophobicContact CG-CD2 3.44Å; Y140-Y161 VanDerWaalsContact CG-CD2 3.44Å; Y140-Y161 AromaticContact CG-CE2 3.29Å; Y140-Y161 HydrophobicContact CG-CE2 3.29Å; Y140-Y161 HydrophobicContact CG-CG 4.43Å; Y140-Y161 AromaticContact CZ-CD1 3.9Å; Y140-Y161 AromaticContact CZ-CD2 3.58Å; Y140-Y161 AromaticContact CZ-CE2 3.83Å; Y140-Y161 AromaticContact CZ-CG 3.6Å; K159-Y161 HydrophobicContact CB-CD2 3.96Å; K159-Y161 HydrophobicContact CB-CE2 3.49Å; K159-Y161 VanDerWaalsContact CB-CE2 3.49Å; K159-Y161 HydrophobicContact CD-CE2 3.74Å; K159-Y161 HydrophobicContact CG-CE2 4.29Å; Y161-T166 WeakPolarHBondContact CA-O 3.37Å; Y161-V167 HydrophobicContact CD1-CG2 3.98Å; Y161-V167 HydrophobicContact CD2-CG2 4.46Å; Y161-V167 HydrophobicContact CE1-CG2 3.42Å; Y161-V167 VanDerWaalsContact CE1-CG2 3.42Å; Y161-V167 HydrophobicContact CE2-CG2 3.99Å; Y161-V167 HydrophobicContact CG-CG2 4.47Å; Y161-V167 VanDerWaalsContact CZ-CG2 3.43Å
162	D	49.7	Very low	48	Very low	38 Å²	38	74.9 Å²	74.9	20%	0.203	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	173.9	163.4	84.5	-22.3	0	0	0	111.3	N164 N165 T166	D162-N164 PolarHBondContact O-N 2.94Å; D162-N164 WeakPolarHBondContact OD1-CA 3.03Å; D162-N164 WeakPolarHBondContact OD1-CB 3.35Å; D162-N164 PolarHBondContact OD1-N 2.88Å; D162-N165 PolarHBondContact O-N 3.42Å; D162-N165 VanDerWaalsContact O-N 3.1Å; D162-N165 PolarHBondContact OD1-N 3Å; D162-T166 VanDerWaalsContact OD1-CB 3.25Å; D162-T166 WeakPolarHBondContact OD1-CB 3.39Å; D162-T166 PolarHBondContact OD1-N 3.37Å; D162-T166 PolarHBondContact OD1-OG1 2.89Å; D162-T166 PolarHBondContact OD2-OG1 3.05Å
163	K	50.3	Low	47.7	Very low	176 Å²	176	75.7 Å²	75.7	77%	0.765	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.6	176.4	-73.7	-171.3	178.9	-178.4	0	114.2
164	N	52.6	Low	47.2	Very low	130 Å²	130	76.3 Å²	76.3	70%	0.695	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	11.8	-177.3	-59.4	-23.4	0	0	0	112.6	D162 T166	D162-N164 PolarHBondContact O-N 2.94Å; D162-N164 WeakPolarHBondContact OD1-CA 3.03Å; D162-N164 WeakPolarHBondContact OD1-CB 3.35Å; D162-N164 PolarHBondContact OD1-N 2.88Å; N164-T166 PolarHBondContact O-N 2.98Å
165	N	51.6	Low	47	Very low	120 Å²	120	74.8 Å²	74.8	64%	0.642	40%	0.401	S	S	*	.			trans	60.1	21.5	-174.8	-70.9	-33	0	0	0	114.4	D162 V167	D162-N165 PolarHBondContact O-N 3.42Å; D162-N165 VanDerWaalsContact O-N 3.1Å; D162-N165 PolarHBondContact OD1-N 3Å; N165-V167 PolarHBondContact O-N 2.6Å
166	T	47.5	Very low	47.4	Very low	68 Å²	68	68.1 Å²	68.1	42%	0.417	37%	0.365	S	S	.	.			trans	-67.8	122.6	173.2	-38.4	0	0	0	0	108.2	Y161 D162 N164	Y161-T166 WeakPolarHBondContact CA-O 3.37Å; D162-T166 VanDerWaalsContact OD1-CB 3.25Å; D162-T166 WeakPolarHBondContact OD1-CB 3.39Å; D162-T166 PolarHBondContact OD1-N 3.37Å; D162-T166 PolarHBondContact OD1-OG1 2.89Å; D162-T166 PolarHBondContact OD2-OG1 3.05Å; N164-T166 PolarHBondContact O-N 2.98Å
167	V	49.9	Very low	47.8	Very low	63 Å²	63	63.6 Å²	63.6	38%	0.382	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.2	174.6	175.8	0	0	0	0	108.5	K159 Y161 N165 P169	K159-V167 HydrophobicContact CB-CG1 3.97Å; K159-V167 HydrophobicContact CD-CG1 4.09Å; K159-V167 HydrophobicContact CG-CG1 3.85Å; Y161-V167 HydrophobicContact CD1-CG2 3.98Å; Y161-V167 HydrophobicContact CD2-CG2 4.46Å; Y161-V167 HydrophobicContact CE1-CG2 3.42Å; Y161-V167 VanDerWaalsContact CE1-CG2 3.42Å; Y161-V167 HydrophobicContact CE2-CG2 3.99Å; Y161-V167 HydrophobicContact CG-CG2 4.47Å; Y161-V167 VanDerWaalsContact CZ-CG2 3.43Å; N165-V167 PolarHBondContact O-N 2.6Å; V167-P169 WeakPolarHBondContact O-CD 3.42Å
168	D	50	Low	48.2	Very low	101 Å²	101	59.8 Å²	59.8	54%	0.54	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	114.7	161.5	-72.2	-32.7	0	0	0	107.8	V160 V170	V160-D168 PolarHBondContact N-O 2.97Å; V160-D168 PolarHBondContact O-N 3.45Å; D168-V170 PolarHBondContact O-N 2.72Å
169	P	46.1	Very low	48.8	Very low	95 Å²	95	62.2 Å²	62.2	62%	0.617	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	103.6	173.9	30.3	-32.2	0	0	0	109	V167	V167-P169 WeakPolarHBondContact O-CD 3.42Å
170	V	43.8	Very low	49.1	Very low	28 Å²	28	63.2 Å²	63.2	17%	0.17	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.2	174.8	-169.1	0	0	0	0	109	V158 V160 D168 D174 F175	V158-V170 HydrophobicContact CB-CB 4.34Å; V158-V170 PolarHBondContact N-O 2.92Å; V158-V170 WeakPolarHBondContact O-CA 3.45Å; V158-V170 WeakPolarHBondContact O-CB 3.43Å; V158-V170 PolarHBondContact O-N 2.85Å; V160-V170 HydrophobicContact CB-CG2 4.49Å; V160-V170 HydrophobicContact CG2-CG2 3.71Å; D168-V170 PolarHBondContact O-N 2.72Å; V170-D174 HydrophobicContact CG1-CB 3.89Å; V170-D174 WeakPolarHBondContact CG1-OD2 3.2Å; V170-F175 HydrophobicContact CG1-CD2 3.81Å; V170-F175 HydrophobicContact CG1-CE2 3.69Å
171	S	43.4	Very low	49.8	Very low	67 Å²	67	66.3 Å²	66.3	47%	0.469	39%	0.385	S	S	.	.			trans	-63.5	140.1	170.8	93.6	0	0	0	0	108.7	G173 D174	S171-G173 PolarHBondContact O-N 2.71Å; S171-D174 WeakPolarHBondContact CB-OD2 3.27Å; S171-D174 PolarHBondContact N-OD2 2.89Å; S171-D174 PolarHBondContact O-N 2.78Å; S171-D174 VanDerWaalsContact OG-CG 3.26Å; S171-D174 PolarHBondContact OG-OD2 3.1Å
172	S	40.3	Very low	50.4	Low	33 Å²	33	65.6 Å²	65.6	23%	0.231	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.1	-19.7	-178.4	47.2	0	0	0	0	112.9	D174	S172-D174 VanDerWaalsContact C-N 3.31Å; S172-D174 PolarHBondContact O-N 3.12Å
173	G	39.9	Very low	51.1	Low	37 Å²	37	64.1 Å²	64.1	38%	0.381	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-75.5	-5.9	-179.6	0	0	0	0	0	116	S171 P211	S171-G173 PolarHBondContact O-N 2.71Å; G173-P211 WeakPolarHBondContact O-CD 3.38Å
174	D	44	Very low	52	Low	87 Å²	87	58.2 Å²	58.2	47%	0.465	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-90.9	-21.4	-172	-62.6	-51.9	0	0	0	114.4	V170 S171 S172	V170-D174 HydrophobicContact CG1-CB 3.89Å; V170-D174 WeakPolarHBondContact CG1-OD2 3.2Å; S171-D174 WeakPolarHBondContact CB-OD2 3.27Å; S171-D174 PolarHBondContact N-OD2 2.89Å; S171-D174 PolarHBondContact O-N 2.78Å; S171-D174 VanDerWaalsContact OG-CG 3.26Å; S171-D174 PolarHBondContact OG-OD2 3.1Å; S172-D174 VanDerWaalsContact C-N 3.31Å; S172-D174 PolarHBondContact O-N 3.12Å
175	F	45.7	Very low	52.7	Low	56 Å²	56	55.4 Å²	55.4	25%	0.246	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-57	-169.4	-70.7	-83.7	0	0	0	115.9	I106 W133 V170 L202	I106-F175 HydrophobicContact CD1-CB 4.46Å; I106-F175 HydrophobicContact CD1-CD1 4.07Å; W133-F175 AromaticContact CH2-CE1 3.87Å; W133-F175 HydrophobicContact CH2-CE1 3.87Å; W133-F175 HydrophobicContact CH2-CZ 4.16Å; W133-F175 AromaticContact CZ2-CE1 3.95Å; W133-F175 HydrophobicContact CZ2-CE1 3.95Å; V170-F175 HydrophobicContact CG1-CD2 3.81Å; V170-F175 HydrophobicContact CG1-CE2 3.69Å; F175-L202 WeakPolarHBondContact O-CD2 3.39Å
176	V	49	Very low	53.3	Low	1 Å²	1	49.7 Å²	49.7	1%	0.006	31%	0.305	C	S	.	.			trans	-157.3	141	-174	178	0	0	0	0	111	I106 L108 Y141 F178 S200 P211 P214	I106-V176 HydrophobicContact CB-CG2 4.41Å; I106-V176 HydrophobicContact CD1-CG2 4.12Å; L108-V176 HydrophobicContact CD1-CB 4.49Å; L108-V176 HydrophobicContact CD1-CG1 4.15Å; L108-V176 HydrophobicContact CD1-CG2 4.1Å; Y141-V176 WeakPolarHBondContact OH-CB 3.49Å; V176-F178 HydrophobicContact CG1-CD2 4.09Å; V176-F178 HydrophobicContact CG1-CE2 3.83Å; V176-F178 HydrophobicContact CG1-CZ 4.35Å; V176-S200 WeakPolarHBondContact CG1-OG 3.4Å; V176-P211 VanDerWaalsContact CA-CB 3.46Å; V176-P214 HydrophobicContact CG1-CG 3.17Å
177	A	52.5	Low	54.2	Low	38 Å²	38	49.1 Å²	49.1	31%	0.314	30%	0.295	S	S	.	.			trans	-125.5	113.4	177.5	0	0	0	0	0	112.2	P211 N213 P214	A177-P211 HydrophobicContact CB-CB 4.35Å; A177-P211 HydrophobicContact CB-CG 4.1Å; A177-N213 WeakPolarHBondContact O-CA 3.45Å; A177-N213 PolarHBondContact O-OD1 3.28Å; A177-P214 WeakPolarHBondContact O-CD 3.21Å
178	F	56.1	Low	55.2	Low	15 Å²	15	51.4 Å²	51.4	7%	0.066	31%	0.305	C	S	.	.			trans	-92.1	141.7	175.8	-70.2	-89.9	0	0	0	112.1	L108 F126 Y141 V176 V182 L183 F198 P214	L108-F178 HydrophobicContact CD1-CE2 3.81Å; L108-F178 HydrophobicContact CD1-CZ 3.68Å; F126-F178 HydrophobicContact CD1-CZ 4.37Å; F126-F178 HydrophobicContact CE1-CE1 4.33Å; F126-F178 HydrophobicContact CE1-CE2 4.17Å; F126-F178 AromaticContact CE1-CZ 3.66Å; F126-F178 HydrophobicContact CE1-CZ 3.66Å; F126-F178 AromaticContact CE2-CE2 3.95Å; F126-F178 HydrophobicContact CE2-CE2 3.95Å; F126-F178 HydrophobicContact CE2-CZ 4.28Å; F126-F178 HydrophobicContact CZ-CD2 4.42Å; F126-F178 HydrophobicContact CZ-CE1 4.22Å; F126-F178 AromaticContact CZ-CE2 3.71Å; F126-F178 HydrophobicContact CZ-CE2 3.71Å; F126-F178 AromaticContact CZ-CZ 3.59Å; F126-F178 HydrophobicContact CZ-CZ 3.59Å; Y141-F178 HydrophobicContact CD1-CD2 4.43Å; Y141-F178 HydrophobicContact CE1-CD2 4.24Å; Y141-F178 HydrophobicContact CE1-CE2 4.42Å; Y141-F178 HydrophobicContact CE2-CE2 4.35Å; V176-F178 HydrophobicContact CG1-CD2 4.09Å; V176-F178 HydrophobicContact CG1-CE2 3.83Å; V176-F178 HydrophobicContact CG1-CZ 4.35Å; F178-V182 HydrophobicContact CD1-CG1 3.83Å; F178-V182 HydrophobicContact CE1-CG1 4.3Å; F178-L183 HydrophobicContact CB-CD1 3.9Å; F178-L183 HydrophobicContact CB-CD2 3.79Å; F178-L183 HydrophobicContact CB-CG 3.74Å; F178-L183 HydrophobicContact CG-CD2 4.08Å; F178-F198 HydrophobicContact CE1-CB 4.39Å; F178-F198 HydrophobicContact CE1-CD1 4.03Å; F178-F198 HydrophobicContact CE1-CD2 4.46Å; F178-F198 HydrophobicContact CE1-CG 4Å; F178-P214 HydrophobicContact CD1-CB 4.14Å; F178-P214 HydrophobicContact CD1-CG 3.85Å; F178-P214 HydrophobicContact CD2-CG 4.43Å; F178-P214 HydrophobicContact CE1-CB 3.76Å; F178-P214 HydrophobicContact CE1-CG 3.69Å; F178-P214 HydrophobicContact CE2-CG 4.29Å; F178-P214 HydrophobicContact CG-CG 4.23Å; F178-P214 HydrophobicContact CZ-CB 4.3Å; F178-P214 HydrophobicContact CZ-CG 3.93Å
179	N	60.1	Low	56	Low	51 Å²	51	48 Å²	48	27%	0.273	29%	0.289	S	S	.	.			trans	-86.4	166.3	173.1	72.7	57.1	0	0	0	113	S181 V182 L183	N179-S181 PolarHBondContact O-N 3.33Å; N179-S181 WeakPolarHBondContact OD1-CB 3.2Å; N179-S181 PolarHBondContact OD1-N 3.09Å; N179-V182 PolarHBondContact O-N 3.24Å; N179-V182 PolarHBondContact OD1-N 2.99Å; N179-L183 PolarHBondContact O-N 3.11Å
180	S	59.2	Low	56.8	Low	63 Å²	63	47.3 Å²	47.3	44%	0.441	27%	0.274	S	S	.	.	H	α-helix	trans	-49.7	-51.4	178.3	9.1	0	0	0	0	113.3	Y154 V182 L183 E184	Y154-S180 WeakPolarHBondContact OH-CA 3.1Å; Y154-S180 WeakPolarHBondContact OH-CB 3.29Å; Y154-S180 PolarHBondContact OH-N 2.83Å; Y154-S180 PolarHBondContact OH-OG 3.46Å; Y154-S180 VanDerWaalsContact OH-OG 3.14Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 3.34Å; S180-L183 PolarHBondContact O-N 2.94Å; S180-E184 WeakPolarHBondContact O-CB 3.24Å; S180-E184 PolarHBondContact O-N 3.14Å
181	S	63.2	Low	57.6	Low	89 Å²	89	49.9 Å²	49.9	62%	0.622	29%	0.292	S	S	*	.	H	α-helix	trans	-63.8	-41.9	-169.5	-166.9	0	0	0	0	111	N179 M185	N179-S181 PolarHBondContact O-N 3.33Å; N179-S181 WeakPolarHBondContact OD1-CB 3.2Å; N179-S181 PolarHBondContact OD1-N 3.09Å; S181-M185 WeakPolarHBondContact O-CB 3.48Å; S181-M185 PolarHBondContact O-N 3.41Å
182	V	63.3	Low	58.6	Low	21 Å²	21	54.2 Å²	54.2	13%	0.127	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-43.9	176.7	177.5	0	0	0	0	111.2	F178 N179 S180 M185 L186 F198	F178-V182 HydrophobicContact CD1-CG1 3.83Å; F178-V182 HydrophobicContact CE1-CG1 4.3Å; N179-V182 PolarHBondContact O-N 3.24Å; N179-V182 PolarHBondContact OD1-N 2.99Å; S180-V182 VanDerWaalsContact C-N 3.33Å; S180-V182 PolarHBondContact O-N 3.34Å; V182-M185 HydrophobicContact CG1-CE 4.28Å; V182-M185 PolarHBondContact O-N 2.91Å; V182-L186 HydrophobicContact CG1-CD1 4.11Å; V182-L186 HydrophobicContact CG1-CG 4.45Å; V182-L186 WeakPolarHBondContact O-CB 3.23Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.24Å; V182-L186 PolarHBondContact O-N 2.95Å; V182-F198 HydrophobicContact CG1-CD1 4.35Å; V182-F198 HydrophobicContact CG1-CE1 3.55Å; V182-F198 HydrophobicContact CG1-CZ 4Å
183	L	64.1	Low	59.4	Low	8 Å²	8	52.7 Å²	52.7	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-40	180	-66.9	170.3	0	0	0	112.8	F124 Y143 Y154 F178 N179 S180 L186 R187	F124-L183 HydrophobicContact CD1-CD2 4.28Å; F124-L183 HydrophobicContact CE1-CD2 4.28Å; F124-L183 HydrophobicContact CG-CD2 4.43Å; F124-L183 HydrophobicContact CZ-CB 4.44Å; F124-L183 HydrophobicContact CZ-CD2 4.43Å; Y143-L183 HydrophobicContact CD1-CD1 4.15Å; Y143-L183 HydrophobicContact CE1-CB 4.5Å; Y143-L183 HydrophobicContact CE1-CD1 3.78Å; Y143-L183 HydrophobicContact CE1-CG 4.49Å; Y154-L183 HydrophobicContact CE1-CD1 4.19Å; F178-L183 HydrophobicContact CB-CD1 3.9Å; F178-L183 HydrophobicContact CB-CD2 3.79Å; F178-L183 HydrophobicContact CB-CG 3.74Å; F178-L183 HydrophobicContact CG-CD2 4.08Å; N179-L183 PolarHBondContact O-N 3.11Å; S180-L183 PolarHBondContact O-N 2.94Å; L183-L186 PolarHBondContact O-N 3.22Å; L183-R187 PolarHBondContact O-N 3.03Å
184	E	69	Low	60.2	Low	51 Å²	51	52.6 Å²	52.6	24%	0.238	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-47.3	172.4	-84.7	-67.1	157.2	0	0	111.6	S180 L186 R187 N188	S180-E184 WeakPolarHBondContact O-CB 3.24Å; S180-E184 PolarHBondContact O-N 3.14Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 3.2Å; E184-R187 PolarHBondContact O-N 2.96Å; E184-R187 IonicContact OE1-CZ 3.17Å; E184-R187 IonicContact OE1-NH1 3.26Å; E184-R187 PolarHBondContact OE1-NH1 2.88Å; E184-R187 IonicContact OE1-NH2 3.17Å; E184-R187 PolarHBondContact OE1-NH2 2.04Å; E184-R187 IonicContact OE2-CZ 2.78Å; E184-R187 IonicContact OE2-NE 2.85Å; E184-R187 IonicContact OE2-NH2 2.72Å; E184-R187 PolarHBondContact OE2-NH2 3.47Å; E184-N188 WeakPolarHBondContact O-CB 3.42Å; E184-N188 PolarHBondContact O-N 3.13Å; E184-N188 PolarHBondContact O-ND2 2.9Å; E184-N188 PolarHBondContact OE2-ND2 3.44Å
185	M	68.5	Low	60.8	Low	71 Å²	71	57.3 Å²	57.3	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-56.5	-44.1	173.6	175.2	-87.2	-70.8	0	0	111.2	S181 V182 N188 S189 I196 F198	S181-M185 WeakPolarHBondContact O-CB 3.48Å; S181-M185 PolarHBondContact O-N 3.41Å; V182-M185 HydrophobicContact CG1-CE 4.28Å; V182-M185 PolarHBondContact O-N 2.91Å; M185-N188 PolarHBondContact O-N 3.36Å; M185-S189 VanDerWaalsContact O-CB 3.3Å; M185-S189 WeakPolarHBondContact O-CB 3.25Å; M185-S189 PolarHBondContact O-N 2.86Å; M185-S189 PolarHBondContact O-OG 3.43Å; M185-I196 HydrophobicContact SD-CD1 4.2Å; M185-F198 HydrophobicContact CE-CZ 4.25Å
186	L	63.3	Low	61.5	Low	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-41.9	178.4	-78.3	176.5	0	0	0	113.7	L110 F124 F126 V182 L183 E184 W190 S193 I196 F198	L110-L186 HydrophobicContact CD2-CB 4.08Å; L110-L186 HydrophobicContact CD2-CD1 4.45Å; L110-L186 HydrophobicContact CD2-CD2 3.92Å; L110-L186 HydrophobicContact CD2-CG 4.39Å; F124-L186 HydrophobicContact CE1-CB 4.02Å; F126-L186 HydrophobicContact CE1-CD1 4.32Å; F126-L186 HydrophobicContact CZ-CD1 4.18Å; V182-L186 HydrophobicContact CG1-CD1 4.11Å; V182-L186 HydrophobicContact CG1-CG 4.45Å; V182-L186 WeakPolarHBondContact O-CB 3.23Å; V182-L186 VanDerWaalsContact O-CG 3.23Å; V182-L186 WeakPolarHBondContact O-CG 3.24Å; V182-L186 PolarHBondContact O-N 2.95Å; L183-L186 PolarHBondContact O-N 3.22Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 3.2Å; L186-W190 PolarHBondContact O-N 3.4Å; L186-S193 PolarHBondContact O-OG 3.06Å; L186-S193 VanDerWaalsContact O-OG 3.07Å; L186-I196 HydrophobicContact CD2-CD1 4.42Å; L186-F198 HydrophobicContact CD1-CE2 3.92Å; L186-F198 HydrophobicContact CD1-CZ 3.86Å; L186-F198 HydrophobicContact CD2-CE2 3.65Å; L186-F198 HydrophobicContact CD2-CZ 3.67Å; L186-F198 HydrophobicContact CG-CE2 4.25Å; L186-F198 HydrophobicContact CG-CZ 3.98Å
187	R	66.3	Low	61.8	Low	55 Å²	55	60 Å²	60	21%	0.208	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-50.9	174.9	-172.5	-178.9	70.4	-162.3	-3	110.8	Y113 F124 L183 E184 S189 W190	Y113-R187 HydrophobicContact CE2-CG 4.45Å; F124-R187 HydrophobicContact CZ-CB 4.2Å; L183-R187 PolarHBondContact O-N 3.03Å; E184-R187 PolarHBondContact O-N 2.96Å; E184-R187 IonicContact OE1-CZ 3.17Å; E184-R187 IonicContact OE1-NH1 3.26Å; E184-R187 PolarHBondContact OE1-NH1 2.88Å; E184-R187 IonicContact OE1-NH2 3.17Å; E184-R187 PolarHBondContact OE1-NH2 2.04Å; E184-R187 IonicContact OE2-CZ 2.78Å; E184-R187 IonicContact OE2-NE 2.85Å; E184-R187 IonicContact OE2-NH2 2.72Å; E184-R187 PolarHBondContact OE2-NH2 3.47Å; R187-S189 PolarHBondContact O-N 2.98Å; R187-W190 PolarHBondContact O-N 3.02Å
188	N	71.9	Confident	61.9	Low	112 Å²	112	58.2 Å²	58.2	60%	0.599	30%	0.304	S	S	*	.	H	α-helix	trans	-73.2	-15.8	-172.9	-59.1	-29.1	0	0	0	112.9	E184 M185	E184-N188 WeakPolarHBondContact O-CB 3.42Å; E184-N188 PolarHBondContact O-N 3.13Å; E184-N188 PolarHBondContact O-ND2 2.9Å; E184-N188 PolarHBondContact OE2-ND2 3.44Å; M185-N188 PolarHBondContact O-N 3.36Å
189	S	66	Low	61.7	Low	30 Å²	30	57.6 Å²	57.6	21%	0.21	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.7	176.5	62.4	0	0	0	0	114.6	M185 R187 Q192 S193	M185-S189 VanDerWaalsContact O-CB 3.3Å; M185-S189 WeakPolarHBondContact O-CB 3.25Å; M185-S189 PolarHBondContact O-N 2.86Å; M185-S189 PolarHBondContact O-OG 3.43Å; R187-S189 PolarHBondContact O-N 2.98Å; S189-Q192 WeakPolarHBondContact O-CA 3.48Å; S189-Q192 VanDerWaalsContact O-CB 3.28Å; S189-Q192 WeakPolarHBondContact O-CB 3.4Å; S189-Q192 PolarHBondContact O-N 2.9Å; S189-S193 PolarHBondContact O-N 2.88Å; S189-S193 VanDerWaalsContact O-N 3.09Å; S189-S193 WeakPolarHBondContact OG-CB 3.48Å
190	W	62.4	Low	61.2	Low	79 Å²	79	55.3 Å²	55.3	30%	0.299	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	135	175.1	-177.1	-96.5	0	0	0	111	L110 I111 K112 Y113 L186 R187 S193	L110-W190 HydrophobicContact CB-CZ3 4.41Å; L110-W190 HydrophobicContact CD2-CE3 3.68Å; L110-W190 HydrophobicContact CD2-CZ3 4.02Å; L110-W190 HydrophobicContact CG-CE3 3.95Å; L110-W190 HydrophobicContact CG-CZ3 3.77Å; I111-W190 WeakPolarHBondContact O-CH2 3.33Å; K112-W190 HydrophobicContact CB-CZ2 4.46Å; Y113-W190 HydrophobicContact CD1-CB 4.07Å; Y113-W190 AromaticContact CD1-CD1 3.85Å; Y113-W190 HydrophobicContact CD1-CD2 4.28Å; Y113-W190 AromaticContact CD1-CG 3.77Å; Y113-W190 HydrophobicContact CD1-CG 3.77Å; Y113-W190 HydrophobicContact CE1-CB 3.86Å; Y113-W190 AromaticContact CE1-CD1 3.54Å; Y113-W190 AromaticContact CE1-CG 3.73Å; Y113-W190 HydrophobicContact CE1-CG 3.73Å; L186-W190 PolarHBondContact O-N 3.4Å; R187-W190 PolarHBondContact O-N 3.02Å; W190-S193 VanDerWaalsContact CA-OG 3.28Å; W190-S193 WeakPolarHBondContact CA-OG 3.38Å; W190-S193 PolarHBondContact N-OG 3.01Å
191	P	61.5	Low	60.5	Low	82 Å²	82	54.7 Å²	54.7	53%	0.532	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.1	3.8	7.8	37.3	-37	0	0	0	115.9	S193 S194	P191-S193 PolarHBondContact O-N 3.23Å; P191-S194 VanDerWaalsContact O-CB 3.3Å; P191-S194 WeakPolarHBondContact O-CB 3.42Å; P191-S194 PolarHBondContact O-N 3.24Å; P191-S194 VanDerWaalsContact O-N 3.1Å; P191-S194 PolarHBondContact O-OG 3.33Å
192	Q	64.2	Low	59.5	Low	159 Å²	159	52.7 Å²	52.7	74%	0.743	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-60.5	-34.1	178.4	-55.5	-177.9	-9.3	0	0	111.4	S189 S194 K195	S189-Q192 WeakPolarHBondContact O-CA 3.48Å; S189-Q192 VanDerWaalsContact O-CB 3.28Å; S189-Q192 WeakPolarHBondContact O-CB 3.4Å; S189-Q192 PolarHBondContact O-N 2.9Å; Q192-S194 PolarHBondContact O-N 3.03Å; Q192-S194 VanDerWaalsContact O-N 3.14Å; Q192-K195 PolarHBondContact O-N 2.93Å
193	S	57.9	Low	58.5	Low	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-60.6	-15.7	174.6	46.6	0	0	0	0	115.8	L186 S189 W190 P191 K195 I196	L186-S193 PolarHBondContact O-OG 3.06Å; L186-S193 VanDerWaalsContact O-OG 3.07Å; S189-S193 PolarHBondContact O-N 2.88Å; S189-S193 VanDerWaalsContact O-N 3.09Å; S189-S193 WeakPolarHBondContact OG-CB 3.48Å; W190-S193 VanDerWaalsContact CA-OG 3.28Å; W190-S193 WeakPolarHBondContact CA-OG 3.38Å; W190-S193 PolarHBondContact N-OG 3.01Å; P191-S193 PolarHBondContact O-N 3.23Å; S193-K195 PolarHBondContact O-N 3.23Å; S193-K195 VanDerWaalsContact O-N 3.09Å; S193-I196 WeakPolarHBondContact O-CB 3.4Å; S193-I196 PolarHBondContact O-N 2.88Å
194	S	56.1	Low	57.2	Low	35 Å²	35	61.4 Å²	61.4	25%	0.245	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.4	-16.3	175.4	62.4	0	0	0	0	114.8	Q109 L110 P191 Q192	Q109-S194 PolarHBondContact NE2-O 2.79Å; L110-S194 WeakPolarHBondContact O-CA 3.39Å; P191-S194 VanDerWaalsContact O-CB 3.3Å; P191-S194 WeakPolarHBondContact O-CB 3.42Å; P191-S194 PolarHBondContact O-N 3.24Å; P191-S194 VanDerWaalsContact O-N 3.1Å; P191-S194 PolarHBondContact O-OG 3.33Å; Q192-S194 PolarHBondContact O-N 3.03Å; Q192-S194 VanDerWaalsContact O-N 3.14Å
195	K	57.2	Low	55.9	Low	187 Å²	187	62.3 Å²	62.3	81%	0.813	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-91.5	-11.1	174.6	-62.5	-175.8	179.9	-178.5	0	113.6	Q192 S193 I197	Q192-K195 PolarHBondContact O-N 2.93Å; S193-K195 PolarHBondContact O-N 3.23Å; S193-K195 VanDerWaalsContact O-N 3.09Å; K195-I197 PolarHBondContact O-N 3.16Å
196	I	59	Low	54.5	Low	44 Å²	44	65 Å²	65	23%	0.226	33%	0.333	C	S	.	.			trans	-81.1	114.6	-178.3	-53.8	173.7	0	0	0	108.1	M185 L186 S193 F198 P216	M185-I196 HydrophobicContact SD-CD1 4.2Å; L186-I196 HydrophobicContact CD2-CD1 4.42Å; S193-I196 WeakPolarHBondContact O-CB 3.4Å; S193-I196 PolarHBondContact O-N 2.88Å; I196-F198 HydrophobicContact CB-CE2 3.88Å; I196-F198 HydrophobicContact CB-CZ 4.3Å; I196-F198 HydrophobicContact CG2-CD2 4.08Å; I196-F198 HydrophobicContact CG2-CE1 4.23Å; I196-F198 HydrophobicContact CG2-CE2 3.4Å; I196-F198 HydrophobicContact CG2-CZ 3.5Å; I196-F198 VanDerWaalsContact CG2-CZ 3.5Å; I196-P216 HydrophobicContact CG2-CB 4.33Å
197	I	56.6	Low	53.2	Low	69 Å²	69	67.8 Å²	67.8	35%	0.354	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.9	171.5	-53.3	177.6	0	0	0	107.3	L108 L129 K195 C217	L108-I197 WeakPolarHBondContact O-CA 2.96Å; L129-I197 HydrophobicContact CD1-CD1 4.25Å; L129-I197 HydrophobicContact CD1-CG1 4.44Å; L129-I197 HydrophobicContact CD1-CG2 4.44Å; K195-I197 PolarHBondContact O-N 3.16Å; I197-C217 PolarHBondContact O-N 3.05Å; I197-C217 PolarHBondContact O-SG 3.09Å; I197-C217 VanDerWaalsContact O-SG 3.37Å
198	F	54.3	Low	51.9	Low	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.1	174.7	-70.3	-91.2	0	0	0	110.8	S107 L108 F178 V182 M185 L186 I196 P214 F215 P216	S107-F198 WeakPolarHBondContact CA-O 3Å; L108-F198 HydrophobicContact CB-CB 4.38Å; L108-F198 PolarHBondContact N-O 2.95Å; L108-F198 PolarHBondContact O-N 2.98Å; F178-F198 HydrophobicContact CE1-CB 4.39Å; F178-F198 HydrophobicContact CE1-CD1 4.03Å; F178-F198 HydrophobicContact CE1-CD2 4.46Å; F178-F198 HydrophobicContact CE1-CG 4Å; V182-F198 HydrophobicContact CG1-CD1 4.35Å; V182-F198 HydrophobicContact CG1-CE1 3.55Å; V182-F198 HydrophobicContact CG1-CZ 4Å; M185-F198 HydrophobicContact CE-CZ 4.25Å; L186-F198 HydrophobicContact CD1-CE2 3.92Å; L186-F198 HydrophobicContact CD1-CZ 3.86Å; L186-F198 HydrophobicContact CD2-CE2 3.65Å; L186-F198 HydrophobicContact CD2-CZ 3.67Å; L186-F198 HydrophobicContact CG-CE2 4.25Å; L186-F198 HydrophobicContact CG-CZ 3.98Å; I196-F198 HydrophobicContact CB-CE2 3.88Å; I196-F198 HydrophobicContact CB-CZ 4.3Å; I196-F198 HydrophobicContact CG2-CD2 4.08Å; I196-F198 HydrophobicContact CG2-CE1 4.23Å; I196-F198 HydrophobicContact CG2-CE2 3.4Å; I196-F198 HydrophobicContact CG2-CZ 3.5Å; I196-F198 VanDerWaalsContact CG2-CZ 3.5Å; F198-P214 HydrophobicContact CB-CB 4.03Å; F198-P214 HydrophobicContact CD1-CB 4.1Å; F198-P214 HydrophobicContact CG-CB 4.45Å; F198-F215 WeakPolarHBondContact CA-O 3.05Å; F198-P216 HydrophobicContact CE1-CG 4.31Å
199	C	51	Low	50.4	Low	2 Å²	2	71.6 Å²	71.6	1%	0.014	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.3	174.3	-80.8	0	0	0	0	107.9	P214 F215 C217 W220	C199-P214 VanDerWaalsContact O-CA 3.28Å; C199-P214 WeakPolarHBondContact O-CA 3.36Å; C199-F215 HydrophobicContact CB-CD2 4.4Å; C199-F215 HydrophobicContact CB-CE2 4.02Å; C199-F215 HydrophobicContact CB-CZ 4.09Å; C199-F215 PolarHBondContact N-O 3.27Å; C199-F215 PolarHBondContact O-N 2.95Å; C199-F215 VanDerWaalsContact O-N 3.09Å; C199-C217 VanDerWaalsContact CA-SG 3.56Å; C199-C217 HydrophobicContact CB-CB 4.22Å; C199-C217 WeakPolarHBondContact CB-SG 3.27Å; C199-C217 PolarHBondContact N-SG 2.67Å; C199-C217 WeakPolarHBondContact SG-CB 3.09Å; C199-C217 CovalentContact SG-SG 2.04Å; C199-C217 PolarHBondContact SG-SG 3.37Å; C199-W220 HydrophobicContact CB-CE3 4.17Å; C199-W220 HydrophobicContact CB-CZ3 3.64Å
200	S	49.3	Very low	49.5	Very low	3 Å²	3	74.6 Å²	74.6	2%	0.021	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.5	176.5	-168	0	0	0	0	111	G105 I106 V176 V212	G105-S200 WeakPolarHBondContact CA-O 3.41Å; I106-S200 PolarHBondContact N-O 2.77Å; I106-S200 PolarHBondContact O-N 3.17Å; V176-S200 WeakPolarHBondContact CG1-OG 3.4Å; S200-V212 PolarHBondContact OG-O 2.93Å
201	V	46.3	Very low	48.7	Very low	51 Å²	51	72 Å²	72	31%	0.309	38%	0.377	S	S	.	.			trans	-117.9	150.4	177.7	-60.1	0	0	0	0	110.7	V212	V201-V212 HydrophobicContact CG2-CB 3.73Å; V201-V212 HydrophobicContact CG2-CG1 4.29Å; V201-V212 HydrophobicContact CG2-CG2 3.87Å; V201-V212 PolarHBondContact O-N 3.44Å
202	L	41.3	Very low	48.1	Very low	46 Å²	46	70.7 Å²	70.7	24%	0.241	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133	169.5	-58.6	-178.7	0	0	0	108.7	L103 F175 F209 K210 P211	L103-L202 HydrophobicContact CD2-CD1 4.32Å; F175-L202 WeakPolarHBondContact O-CD2 3.39Å; L202-F209 HydrophobicContact CB-CB 4.39Å; L202-F209 HydrophobicContact CD1-CB 4.35Å; L202-K210 CarbonylContact C-O 3.55Å; L202-K210 WeakPolarHBondContact CA-O 3.01Å; L202-P211 HydrophobicContact CD2-CB 4.06Å
203	K	42.2	Very low	47.6	Very low	109 Å²	109	67.1 Å²	67.1	47%	0.474	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.8	172.6	179.5	-172	176.9	-163.2	0	109	E205 K210 V212	K203-E205 HydrophobicContact CD-CG 4.07Å; K203-E205 WeakPolarHBondContact CE-OE1 3.45Å; K203-E205 HydrophobicContact CG-CG 4.27Å; K203-E205 IonicContact NZ-OE1 3.81Å; K203-E205 PolarHBondContact NZ-OE1 2.99Å; K203-K210 PolarHBondContact N-O 2.75Å; K203-K210 PolarHBondContact O-N 3.17Å; K203-V212 HydrophobicContact CB-CG2 3.53Å
204	E	37.8	Very low	47.4	Very low	103 Å²	103	67.5 Å²	67.5	48%	0.481	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.7	170.4	-167.5	-178.7	170	0	0	110.5	A36 F209	A36-E204 VanDerWaalsContact CB-OE2 3.27Å; A36-E204 WeakPolarHBondContact CB-OE2 3.28Å; E204-F209 HydrophobicContact CB-CD1 4.22Å; E204-F209 HydrophobicContact CB-CE1 4.2Å; E204-F209 HydrophobicContact CG-CE1 4.39Å
205	E	40.3	Very low	47.3	Very low	70 Å²	70	68.5 Å²	68.5	33%	0.327	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.9	170.4	-68.6	-169.1	168.5	0	0	109.9	K203 G207 K208 K210	K203-E205 HydrophobicContact CD-CG 4.07Å; K203-E205 WeakPolarHBondContact CE-OE1 3.45Å; K203-E205 HydrophobicContact CG-CG 4.27Å; K203-E205 IonicContact NZ-OE1 3.81Å; K203-E205 PolarHBondContact NZ-OE1 2.99Å; E205-G207 VanDerWaalsContact C-N 3.35Å; E205-G207 PolarHBondContact O-N 3.39Å; E205-K208 PolarHBondContact N-O 2.88Å; E205-K208 PolarHBondContact O-N 2.88Å; E205-K208 VanDerWaalsContact O-N 3.13Å; E205-K208 VanDerWaalsContact O-O 3.13Å; E205-K210 HydrophobicContact CB-CD 4.08Å; E205-K210 HydrophobicContact CG-CD 4.41Å; E205-K210 WeakPolarHBondContact OE2-CD 3.45Å; E205-K210 WeakPolarHBondContact OE2-CE 3.47Å; E205-K210 IonicContact OE2-NZ 2.71Å; E205-K210 PolarHBondContact OE2-NZ 3.15Å
206	S	39	Very low	47.2	Very low	129 Å²	129	60.5 Å²	60.5	90%	0.902	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	44.4	178.9	-54	0	0	0	0	114.1	K208	S206-K208 PolarHBondContact O-N 3.2Å
207	G	36.7	Very low	46.7	Very low	59 Å²	59	59.6 Å²	59.6	61%	0.608	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	13.1	-179.8	0	0	0	0	0	114.6	E205	E205-G207 VanDerWaalsContact C-N 3.35Å; E205-G207 PolarHBondContact O-N 3.39Å
208	K	38	Very low	46.2	Very low	153 Å²	153	61.7 Å²	61.7	67%	0.665	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	131.9	172	-64.5	-171.4	178	-172.2	0	109.8	E205 S206	E205-K208 PolarHBondContact N-O 2.88Å; E205-K208 PolarHBondContact O-N 2.88Å; E205-K208 VanDerWaalsContact O-N 3.13Å; E205-K208 VanDerWaalsContact O-O 3.13Å; S206-K208 PolarHBondContact O-N 3.2Å
209	F	40.9	Very low	45.7	Very low	93 Å²	93	67.7 Å²	67.7	41%	0.408	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.5	167.6	-59.1	-74.8	0	0	0	109.3	A36 L202 E204	A36-F209 HydrophobicContact CB-CE1 3.94Å; A36-F209 HydrophobicContact CB-CZ 3.62Å; L202-F209 HydrophobicContact CB-CB 4.39Å; L202-F209 HydrophobicContact CD1-CB 4.35Å; E204-F209 HydrophobicContact CB-CD1 4.22Å; E204-F209 HydrophobicContact CB-CE1 4.2Å; E204-F209 HydrophobicContact CG-CE1 4.39Å
210	K	46.4	Very low	45.2	Very low	94 Å²	94	69.6 Å²	69.6	41%	0.409	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.2	174.7	-62	-176.5	-171.8	171.1	0	109.4	L202 K203 E205	L202-K210 CarbonylContact C-O 3.55Å; L202-K210 WeakPolarHBondContact CA-O 3.01Å; K203-K210 PolarHBondContact N-O 2.75Å; K203-K210 PolarHBondContact O-N 3.17Å; E205-K210 HydrophobicContact CB-CD 4.08Å; E205-K210 HydrophobicContact CG-CD 4.41Å; E205-K210 WeakPolarHBondContact OE2-CD 3.45Å; E205-K210 WeakPolarHBondContact OE2-CE 3.47Å; E205-K210 IonicContact OE2-NZ 2.71Å; E205-K210 PolarHBondContact OE2-NZ 3.15Å
211	P	46.3	Very low	44.4	Very low	23 Å²	23	76 Å²	76	15%	0.149	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.1	172.7	26.2	-34	0	0	0	111.6	G173 V176 A177 L202	G173-P211 WeakPolarHBondContact O-CD 3.38Å; V176-P211 VanDerWaalsContact CA-CB 3.46Å; A177-P211 HydrophobicContact CB-CB 4.35Å; A177-P211 HydrophobicContact CB-CG 4.1Å; L202-P211 HydrophobicContact CD2-CB 4.06Å
212	V	49.3	Very low	43.8	Very low	55 Å²	55	79.5 Å²	79.5	33%	0.333	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-88.4	156.4	165.4	-175.6	0	0	0	0	108.7	S200 V201 K203 P214	S200-V212 PolarHBondContact OG-O 2.93Å; V201-V212 HydrophobicContact CG2-CB 3.73Å; V201-V212 HydrophobicContact CG2-CG1 4.29Å; V201-V212 HydrophobicContact CG2-CG2 3.87Å; V201-V212 PolarHBondContact O-N 3.44Å; K203-V212 HydrophobicContact CB-CG2 3.53Å; V212-P214 WeakPolarHBondContact O-CD 3.37Å
213	N	54	Low	43.4	Very low	85 Å²	85	85.5 Å²	85.5	46%	0.455	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-53.8	127.4	173.1	-69.8	-33	0	0	0	111.5	A177	A177-N213 WeakPolarHBondContact O-CA 3.45Å; A177-N213 PolarHBondContact O-OD1 3.28Å
214	P	53.1	Low	43.3	Very low	7 Å²	7	85.9 Å²	85.9	5%	0.045	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-62.4	150.9	170.9	-24.8	34	0	0	0	112.8	V176 A177 F178 F198 C199 V212	V176-P214 HydrophobicContact CG1-CG 3.17Å; A177-P214 WeakPolarHBondContact O-CD 3.21Å; F178-P214 HydrophobicContact CD1-CB 4.14Å; F178-P214 HydrophobicContact CD1-CG 3.85Å; F178-P214 HydrophobicContact CD2-CG 4.43Å; F178-P214 HydrophobicContact CE1-CB 3.76Å; F178-P214 HydrophobicContact CE1-CG 3.69Å; F178-P214 HydrophobicContact CE2-CG 4.29Å; F178-P214 HydrophobicContact CG-CG 4.23Å; F178-P214 HydrophobicContact CZ-CB 4.3Å; F178-P214 HydrophobicContact CZ-CG 3.93Å; F198-P214 HydrophobicContact CB-CB 4.03Å; F198-P214 HydrophobicContact CD1-CB 4.1Å; F198-P214 HydrophobicContact CG-CB 4.45Å; C199-P214 VanDerWaalsContact O-CA 3.28Å; C199-P214 WeakPolarHBondContact O-CA 3.36Å; V212-P214 WeakPolarHBondContact O-CD 3.37Å
215	F	53.6	Low	43.6	Very low	56 Å²	56	82.4 Å²	82.4	25%	0.246	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	156.9	173.2	55.2	-85.2	0	0	0	110.5	F198 C199 C217 W220	F198-F215 WeakPolarHBondContact CA-O 3.05Å; C199-F215 HydrophobicContact CB-CD2 4.4Å; C199-F215 HydrophobicContact CB-CE2 4.02Å; C199-F215 HydrophobicContact CB-CZ 4.09Å; C199-F215 PolarHBondContact N-O 3.27Å; C199-F215 PolarHBondContact O-N 2.95Å; C199-F215 VanDerWaalsContact O-N 3.09Å; F215-C217 PolarHBondContact O-N 3.36Å; F215-W220 HydrophobicContact CE2-CD2 4.07Å; F215-W220 AromaticContact CE2-CE3 3.6Å; F215-W220 HydrophobicContact CE2-CE3 3.6Å; F215-W220 HydrophobicContact CE2-CH2 4.06Å; F215-W220 HydrophobicContact CE2-CZ2 4.41Å; F215-W220 AromaticContact CE2-CZ3 3.66Å; F215-W220 HydrophobicContact CE2-CZ3 3.66Å; F215-W220 HydrophobicContact CZ-CD2 4.43Å; F215-W220 AromaticContact CZ-CE3 3.93Å; F215-W220 HydrophobicContact CZ-CE3 3.93Å; F215-W220 AromaticContact CZ-CH2 3.49Å; F215-W220 HydrophobicContact CZ-CH2 3.49Å; F215-W220 VanDerWaalsContact CZ-CH2 3.49Å; F215-W220 AromaticContact CZ-CZ2 3.96Å; F215-W220 HydrophobicContact CZ-CZ2 3.96Å; F215-W220 AromaticContact CZ-CZ3 3.5Å; F215-W220 HydrophobicContact CZ-CZ3 3.5Å; F215-W220 VanDerWaalsContact CZ-CZ3 3.5Å
216	P	54.9	Low	43.9	Very low	20 Å²	20	80.8 Å²	80.8	13%	0.13	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	125.5	173.7	-21.2	33.7	0	0	0	111	I196 F198 N218 E219	I196-P216 HydrophobicContact CG2-CB 4.33Å; F198-P216 HydrophobicContact CE1-CG 4.31Å; P216-N218 WeakPolarHBondContact CB-OD1 2.72Å; P216-N218 PolarHBondContact O-N 2.99Å; P216-E219 HydrophobicContact CB-CG 4.32Å; P216-E219 WeakPolarHBondContact CD-OE1 3.47Å; P216-E219 WeakPolarHBondContact CG-OE1 3.14Å; P216-E219 WeakPolarHBondContact O-CB 3.22Å; P216-E219 PolarHBondContact O-N 2.04Å
217	C	49.7	Very low	44.4	Very low	25 Å²	25	77.8 Å²	77.8	17%	0.169	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-62.4	-16.8	-175.8	-61.8	0	0	0	0	113.9	I197 C199 F215 E219 W220	I197-C217 PolarHBondContact O-N 3.05Å; I197-C217 PolarHBondContact O-SG 3.09Å; I197-C217 VanDerWaalsContact O-SG 3.37Å; C199-C217 VanDerWaalsContact CA-SG 3.56Å; C199-C217 HydrophobicContact CB-CB 4.22Å; C199-C217 WeakPolarHBondContact CB-SG 3.27Å; C199-C217 PolarHBondContact N-SG 2.67Å; C199-C217 WeakPolarHBondContact SG-CB 3.09Å; C199-C217 CovalentContact SG-SG 2.04Å; C199-C217 PolarHBondContact SG-SG 3.37Å; F215-C217 PolarHBondContact O-N 3.36Å; C217-E219 VanDerWaalsContact C-N 3.33Å; C217-W220 VanDerWaalsContact O-CB 3.24Å; C217-W220 WeakPolarHBondContact O-CB 3.43Å; C217-W220 PolarHBondContact O-N 3.23Å
218	N	46.9	Very low	45.6	Very low	112 Å²	112	75 Å²	75	60%	0.599	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-77.4	-14.5	176.1	62.2	-65.4	0	0	0	113.9	P216 W220	P216-N218 WeakPolarHBondContact CB-OD1 2.72Å; P216-N218 PolarHBondContact O-N 2.99Å; N218-W220 PolarHBondContact O-N 3.37Å
219	E	43.4	Very low	46.9	Very low	127 Å²	127	67.7 Å²	67.7	59%	0.593	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-69.5	-9.5	169.8	-67.3	176.5	-169.2	0	0	111.9	P216 C217 N221	P216-E219 HydrophobicContact CB-CG 4.32Å; P216-E219 WeakPolarHBondContact CD-OE1 3.47Å; P216-E219 WeakPolarHBondContact CG-OE1 3.14Å; P216-E219 WeakPolarHBondContact O-CB 3.22Å; P216-E219 PolarHBondContact O-N 2.04Å; C217-E219 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.88Å
220	W	39.6	Very low	48.4	Very low	41 Å²	41	63.5 Å²	63.5	16%	0.155	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-76.3	-13.6	179.2	-135.1	-43.8	0	0	0	114.7	L84 C199 F215 C217 N218 L222 S225 L227	L84-W220 HydrophobicContact CD1-CZ3 4.32Å; L84-W220 HydrophobicContact CD2-CD2 4.48Å; L84-W220 HydrophobicContact CD2-CE3 3.88Å; L84-W220 HydrophobicContact CD2-CZ3 4.19Å; C199-W220 HydrophobicContact CB-CE3 4.17Å; C199-W220 HydrophobicContact CB-CZ3 3.64Å; F215-W220 HydrophobicContact CE2-CD2 4.07Å; F215-W220 AromaticContact CE2-CE3 3.6Å; F215-W220 HydrophobicContact CE2-CE3 3.6Å; F215-W220 HydrophobicContact CE2-CH2 4.06Å; F215-W220 HydrophobicContact CE2-CZ2 4.41Å; F215-W220 AromaticContact CE2-CZ3 3.66Å; F215-W220 HydrophobicContact CE2-CZ3 3.66Å; F215-W220 HydrophobicContact CZ-CD2 4.43Å; F215-W220 AromaticContact CZ-CE3 3.93Å; F215-W220 HydrophobicContact CZ-CE3 3.93Å; F215-W220 AromaticContact CZ-CH2 3.49Å; F215-W220 HydrophobicContact CZ-CH2 3.49Å; F215-W220 VanDerWaalsContact CZ-CH2 3.49Å; F215-W220 AromaticContact CZ-CZ2 3.96Å; F215-W220 HydrophobicContact CZ-CZ2 3.96Å; F215-W220 AromaticContact CZ-CZ3 3.5Å; F215-W220 HydrophobicContact CZ-CZ3 3.5Å; F215-W220 VanDerWaalsContact CZ-CZ3 3.5Å; C217-W220 VanDerWaalsContact O-CB 3.24Å; C217-W220 WeakPolarHBondContact O-CB 3.43Å; C217-W220 PolarHBondContact O-N 3.23Å; N218-W220 PolarHBondContact O-N 3.37Å; W220-L222 PolarHBondContact O-N 3.15Å; W220-S225 VanDerWaalsContact O-CB 3.26Å; W220-S225 WeakPolarHBondContact O-CB 3.49Å; W220-L227 HydrophobicContact CH2-CD1 3.75Å; W220-L227 HydrophobicContact CZ2-CD1 3.09Å; W220-L227 HydrophobicContact CZ2-CD2 3.4Å; W220-L227 HydrophobicContact CZ2-CG 3.71Å
221	N	33.5	Very low	49.8	Very low	138 Å²	138	59 Å²	59	74%	0.738	32%	0.316	S	S	*	.			trans	-77.1	20.6	-165.7	-75.6	-6.4	0	0	0	116.3	E219	E219-N221 PolarHBondContact O-N 2.88Å
222	L	33.7	Very low	51.4	Low	125 Å²	125	58.1 Å²	58.1	65%	0.654	31%	0.31	S	S	*	.	S	Bend	trans	-85.3	134.2	172.6	-66.6	174.6	0	0	0	110	W220 T224 S225	W220-L222 PolarHBondContact O-N 3.15Å; L222-T224 CarbonylContact O-C 3.56Å; L222-T224 PolarHBondContact O-N 3.12Å; L222-S225 WeakPolarHBondContact O-CA 3.41Å; L222-S225 WeakPolarHBondContact O-CB 3.29Å; L222-S225 PolarHBondContact O-N 3.11Å; L222-S225 PolarHBondContact O-OG 3.41Å
223	D	32.5	Very low	52.8	Low	171 Å²	171	55.6 Å²	55.6	91%	0.914	29%	0.294	S	S	*	.	S	Bend	trans	-57.3	-6.9	-173.6	-109	-29.7	0	0	0	116	S225	D223-S225 PolarHBondContact O-N 3.41Å
224	T	39	Very low	53.8	Low	118 Å²	118	53.3 Å²	53.3	72%	0.724	28%	0.282	S	S	*	.	S	Bend	trans	-77.4	23.1	164.6	57.2	0	0	0	0	113	L222	L222-T224 CarbonylContact O-C 3.56Å; L222-T224 PolarHBondContact O-N 3.12Å
225	S	43.9	Very low	54.7	Low	30 Å²	30	55 Å²	55	21%	0.21	29%	0.293	C	S	.	.			trans	-97.2	14.9	-159.8	41.9	0	0	0	0	116.5	W220 L222 D223	W220-S225 VanDerWaalsContact O-CB 3.26Å; W220-S225 WeakPolarHBondContact O-CB 3.49Å; L222-S225 WeakPolarHBondContact O-CA 3.41Å; L222-S225 WeakPolarHBondContact O-CB 3.29Å; L222-S225 PolarHBondContact O-N 3.11Å; L222-S225 PolarHBondContact O-OG 3.41Å; D223-S225 PolarHBondContact O-N 3.41Å
226	W	46.8	Very low	55.2	Low	35 Å²	35	53.1 Å²	53.1	13%	0.133	28%	0.284	C	S	.	.			trans	-77.9	125.3	165	62.4	-71	0	0	0	108.8	M54 V59 L62 A65 I81 L82 F229	M54-W226 HydrophobicContact CE-CH2 4Å; M54-W226 HydrophobicContact CE-CZ2 3.65Å; M54-W226 HydrophobicContact CG-CD2 4.31Å; M54-W226 HydrophobicContact CG-CE3 3.89Å; M54-W226 HydrophobicContact CG-CH2 4Å; M54-W226 HydrophobicContact CG-CZ2 4.4Å; M54-W226 HydrophobicContact CG-CZ3 3.73Å; M54-W226 HydrophobicContact SD-CD2 3.76Å; M54-W226 HydrophobicContact SD-CE3 3.97Å; M54-W226 HydrophobicContact SD-CG 4.33Å; M54-W226 HydrophobicContact SD-CH2 4.09Å; M54-W226 HydrophobicContact SD-CZ2 3.88Å; M54-W226 HydrophobicContact SD-CZ3 4.14Å; V59-W226 HydrophobicContact CG2-CH2 4.14Å; V59-W226 HydrophobicContact CG2-CZ3 4.38Å; L62-W226 HydrophobicContact CD2-CD2 4.29Å; L62-W226 HydrophobicContact CD2-CH2 4.21Å; L62-W226 HydrophobicContact CD2-CZ2 3.88Å; A65-W226 HydrophobicContact CB-CH2 3.88Å; A65-W226 HydrophobicContact CB-CZ3 3.92Å; I81-W226 HydrophobicContact CG2-CB 3.26Å; I81-W226 HydrophobicContact CG2-CD2 3.95Å; I81-W226 HydrophobicContact CG2-CE3 4.16Å; I81-W226 HydrophobicContact CG2-CG 3.59Å; L82-W226 WeakPolarHBondContact O-CA 3.42Å; W226-F229 HydrophobicContact CE3-CB 4.43Å; W226-F229 HydrophobicContact CE3-CD1 4.23Å; W226-F229 HydrophobicContact CZ3-CB 4.37Å; W226-F229 AromaticContact CZ3-CD1 3.66Å; W226-F229 HydrophobicContact CZ3-CD1 3.66Å; W226-F229 HydrophobicContact CZ3-CE1 4.3Å; W226-F229 HydrophobicContact CZ3-CG 4.24Å
227	L	50.6	Low	55.6	Low	66 Å²	66	55 Å²	55	35%	0.346	29%	0.293	S	S	.	.			trans	-94.7	-17.5	-179.2	-64.1	165.5	0	0	0	113.1	T53 M54 L84 W220	T53-L227 CarbonylContact C-O 3.56Å; T53-L227 VanDerWaalsContact CA-O 3.23Å; T53-L227 WeakPolarHBondContact CA-O 3.28Å; T53-L227 WeakPolarHBondContact CB-O 3.36Å; M54-L227 PolarHBondContact N-O 3.46Å; L84-L227 HydrophobicContact CD1-CD1 4.09Å; W220-L227 HydrophobicContact CH2-CD1 3.75Å; W220-L227 HydrophobicContact CZ2-CD1 3.09Å; W220-L227 HydrophobicContact CZ2-CD2 3.4Å; W220-L227 HydrophobicContact CZ2-CG 3.71Å
228	G	62.4	Low	55.8	Low	1 Å²	1	54.8 Å²	54.8	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	169.4	-166.6	0	0	0	0	0	109.9	S52 L82	S52-G228 CarbonylContact O-C 3.57Å; S52-G228 WeakPolarHBondContact O-CA 3.27Å; L82-G228 PolarHBondContact N-O 2.78Å
229	F	65.3	Low	56.2	Low	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159	-166.1	55.3	-78.7	0	0	0	108.8	F51 S52 A57 V59 A65 Y68 L78 A80 W226	F51-F229 WeakPolarHBondContact CA-O 3.23Å; S52-F229 PolarHBondContact N-O 2.88Å; S52-F229 PolarHBondContact O-N 3.43Å; A57-F229 HydrophobicContact CB-CE1 3.96Å; A57-F229 HydrophobicContact CB-CZ 3.69Å; V59-F229 HydrophobicContact CG2-CD1 4.48Å; V59-F229 HydrophobicContact CG2-CE1 3.59Å; V59-F229 HydrophobicContact CG2-CZ 3.98Å; A65-F229 HydrophobicContact CB-CD1 4.2Å; A65-F229 HydrophobicContact CB-CD2 3.94Å; A65-F229 HydrophobicContact CB-CE1 4.16Å; A65-F229 HydrophobicContact CB-CE2 3.86Å; A65-F229 HydrophobicContact CB-CG 4.11Å; A65-F229 HydrophobicContact CB-CZ 3.98Å; Y68-F229 AromaticContact CD1-CE2 3.73Å; Y68-F229 HydrophobicContact CD1-CE2 3.73Å; Y68-F229 AromaticContact CD1-CZ 3.68Å; Y68-F229 HydrophobicContact CD1-CZ 3.68Å; Y68-F229 HydrophobicContact CE1-CE2 4.26Å; Y68-F229 HydrophobicContact CE1-CZ 4.1Å; Y68-F229 HydrophobicContact CG-CZ 4.27Å; L78-F229 HydrophobicContact CD1-CB 3.67Å; L78-F229 HydrophobicContact CD1-CD2 3.82Å; L78-F229 HydrophobicContact CD1-CG 4.1Å; A80-F229 WeakPolarHBondContact O-CA 3.03Å; W226-F229 HydrophobicContact CE3-CB 4.43Å; W226-F229 HydrophobicContact CE3-CD1 4.23Å; W226-F229 HydrophobicContact CZ3-CB 4.37Å; W226-F229 AromaticContact CZ3-CD1 3.66Å; W226-F229 HydrophobicContact CZ3-CD1 3.66Å; W226-F229 HydrophobicContact CZ3-CE1 4.3Å; W226-F229 HydrophobicContact CZ3-CG 4.24Å
230	F	71.2	Confident	56.8	Low	5 Å²	5	46.4 Å²	46.4	2%	0.022	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.3	171.1	-75	-62.6	0	0	0	110.1	F41 R49 T50 F51 A79 A80 L82 F91	F41-F230 HydrophobicContact CD1-CE1 4.27Å; F41-F230 HydrophobicContact CE1-CD1 4.13Å; F41-F230 AromaticContact CE1-CE1 3.46Å; F41-F230 HydrophobicContact CE1-CE1 3.46Å; F41-F230 VanDerWaalsContact CE1-CE1 3.46Å; F41-F230 HydrophobicContact CE1-CE2 4.46Å; F41-F230 AromaticContact CE1-CZ 3.67Å; F41-F230 HydrophobicContact CE1-CZ 3.67Å; F41-F230 HydrophobicContact CZ-CE1 4.33Å; F41-F230 HydrophobicContact CZ-CZ 4.31Å; R49-F230 HydrophobicContact CB-CD1 4.25Å; T50-F230 WeakPolarHBondContact O-CA 3.46Å; F51-F230 HydrophobicContact CB-CD1 4.05Å; F51-F230 HydrophobicContact CB-CE1 3.67Å; F51-F230 HydrophobicContact CD2-CE1 4.32Å; F51-F230 HydrophobicContact CG-CE1 4.47Å; A79-F230 HydrophobicContact CB-CB 4.05Å; A79-F230 VanDerWaalsContact CB-O 3.24Å; A79-F230 WeakPolarHBondContact CB-O 3.23Å; A79-F230 PolarHBondContact N-O 3.36Å; A80-F230 HydrophobicContact CB-CD2 4.33Å; A80-F230 PolarHBondContact O-N 3.05Å; L82-F230 HydrophobicContact CD1-CD2 3.82Å; L82-F230 HydrophobicContact CD1-CE2 3.4Å; L82-F230 VanDerWaalsContact CD1-CE2 3.4Å; L82-F230 HydrophobicContact CD1-CZ 3.96Å; L82-F230 HydrophobicContact CD2-CD2 4.14Å; L82-F230 HydrophobicContact CD2-CE2 3.92Å; L82-F230 HydrophobicContact CG-CD2 4.17Å; L82-F230 HydrophobicContact CG-CE2 4.09Å; F91-F230 HydrophobicContact CE2-CE2 4.49Å; F91-F230 AromaticContact CE2-CZ 3.75Å; F91-F230 HydrophobicContact CE2-CZ 3.75Å; F91-F230 HydrophobicContact CZ-CE1 4.31Å; F91-F230 AromaticContact CZ-CZ 3.67Å; F91-F230 HydrophobicContact CZ-CZ 3.67Å
231	C	76.3	Confident	57.4	Low	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.5	160.2	-63.3	0	0	0	0	109.2	R49 T50 C69 Y73 K77	R49-C231 CarbonylContact C-O 3.44Å; R49-C231 VanDerWaalsContact CA-O 3.28Å; R49-C231 WeakPolarHBondContact CA-O 3.5Å; T50-C231 PolarHBondContact N-O 2.99Å; T50-C231 PolarHBondContact O-N 2.85Å; C69-C231 WeakPolarHBondContact CA-SG 3.46Å; C69-C231 HydrophobicContact CB-CB 3.66Å; C69-C231 WeakPolarHBondContact CB-SG 3.12Å; C69-C231 WeakPolarHBondContact SG-CA 3.3Å; C69-C231 WeakPolarHBondContact SG-CB 3.46Å; C69-C231 CovalentContact SG-SG 2.04Å; C69-C231 PolarHBondContact SG-SG 3.42Å; Y73-C231 HydrophobicContact CD2-CB 3.68Å; Y73-C231 HydrophobicContact CE2-CB 3.67Å; Y73-C231 VanDerWaalsContact CE2-SG 3.54Å; Y73-C231 HydrophobicContact CG-CB 4.38Å; K77-C231 CarbonylContact O-C 3.57Å; K77-C231 WeakPolarHBondContact O-CA 3.39Å
232	S	80.7	Confident	58.4	Low	4 Å²	4	42.9 Å²	42.9	3%	0.028	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.2	163.3	-167.8	0	0	0	0	108	C48 R49 G76 K77	C48-S232 WeakPolarHBondContact O-CA 3.1Å; R49-S232 VanDerWaalsContact NH1-CB 3.32Å; R49-S232 PolarHBondContact NH1-OG 2.91Å; G76-S232 CarbonylContact C-O 3.58Å; G76-S232 VanDerWaalsContact CA-O 3.27Å; G76-S232 WeakPolarHBondContact CA-O 3.26Å; K77-S232 PolarHBondContact N-O 3.37Å; K77-S232 PolarHBondContact O-N 2.79Å
233	H	77.3	Confident	59.4	Low	2 Å²	2	38.1 Å²	38.1	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	171.4	173.6	60.7	100.7	0	0	0	112	C48 T50 Y73 Y236	C48-H233 WeakPolarHBondContact CB-CE1 3.02Å; C48-H233 VanDerWaalsContact CB-NE2 3.31Å; C48-H233 WeakPolarHBondContact CB-NE2 3.32Å; C48-H233 PolarHBondContact N-O 3.26Å; C48-H233 PolarHBondContact O-N 3.19Å; T50-H233 PolarHBondContact OG1-NE2 2.83Å; Y73-H233 VanDerWaalsContact CB-CB 3.43Å; Y73-H233 HydrophobicContact CD1-CB 4.36Å; Y73-H233 AromaticContact CD1-CD2 3.45Å; Y73-H233 VanDerWaalsContact CD1-CD2 3.45Å; Y73-H233 WeakPolarHBondContact CD1-CD2 3.37Å; Y73-H233 AromaticContact CD1-CE1 3.86Å; Y73-H233 AromaticContact CD1-CG 3.71Å; Y73-H233 AromaticContact CD1-ND1 3.96Å; Y73-H233 AromaticContact CD1-NE2 3.6Å; Y73-H233 AromaticContact CE1-NE2 3.99Å; Y73-H233 HydrophobicContact CG-CB 4.14Å; Y73-H233 AromaticContact CG-CD2 3.91Å; Y73-H233 AromaticContact CG-CG 3.98Å; H233-Y236 AromaticContact CE1-CE2 3.44Å; H233-Y236 VanDerWaalsContact CE1-CE2 3.44Å; H233-Y236 WeakPolarHBondContact CE1-CE2 3.23Å; H233-Y236 AromaticContact ND1-CE2 3.66Å; H233-Y236 AromaticContact ND1-CZ 3.99Å
234	D	76.6	Confident	60.5	Low	36 Å²	36	34 Å²	34	19%	0.193	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-72.8	152.3	168.8	-77.7	-20.6	0	0	0	111.5	K47 K74 H75 Y236	K47-D234 IonicContact NZ-OD1 3.55Å; K47-D234 PolarHBondContact NZ-OD1 2.8Å; K74-D234 HydrophobicContact CD-CB 4.31Å; K74-D234 HydrophobicContact CG-CB 4.42Å; K74-D234 PolarHBondContact O-N 3.5Å; K74-D234 VanDerWaalsContact O-N 3.12Å; H75-D234 IonicContact CE1-OD2 3.57Å; H75-D234 IonicContact CG-OD2 3.2Å; H75-D234 IonicContact ND1-OD2 2.89Å; H75-D234 PolarHBondContact ND1-OD2 2.73Å; D234-Y236 PolarHBondContact O-N 2.89Å
235	P	70.2	Confident	61.5	Low	42 Å²	42	31.5 Å²	31.5	27%	0.273	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-50.6	135.6	163.5	-27.3	37.6	0	0	0	112	R42	R42-P235 VanDerWaalsContact NH1-CG 3.26Å
236	Y	64.5	Low	62.4	Low	17 Å²	17	32 Å²	32	7%	0.067	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-72.3	159.7	161.9	-62.2	-67.8	0	0	0	110.4	D28 E33 Y73 K74 H233 D234 E265 F268	D28-Y236 CarbonylContact C-O 3.52Å; E33-Y236 WeakPolarHBondContact OE1-CE2 3.21Å; Y73-Y236 WeakPolarHBondContact CA-OH 3.22Å; Y73-Y236 HydrophobicContact CD1-CE2 4.38Å; Y73-Y236 WeakPolarHBondContact CD1-OH 3.25Å; K74-Y236 HydrophobicContact CB-CE1 4.27Å; H233-Y236 AromaticContact CE1-CE2 3.44Å; H233-Y236 VanDerWaalsContact CE1-CE2 3.44Å; H233-Y236 WeakPolarHBondContact CE1-CE2 3.23Å; H233-Y236 AromaticContact ND1-CE2 3.66Å; H233-Y236 AromaticContact ND1-CZ 3.99Å; D234-Y236 PolarHBondContact O-N 2.89Å; Y236-E265 HydrophobicContact CD1-CB 4.28Å; Y236-E265 HydrophobicContact CD1-CG 4.09Å; Y236-F268 HydrophobicContact CD1-CB 4.31Å; Y236-F268 HydrophobicContact CD2-CB 3.71Å; Y236-F268 HydrophobicContact CE1-CB 4.31Å; Y236-F268 AromaticContact CE1-CD2 3.89Å; Y236-F268 HydrophobicContact CE1-CD2 3.89Å; Y236-F268 HydrophobicContact CE2-CB 3.69Å; Y236-F268 AromaticContact CE2-CD2 3.98Å; Y236-F268 HydrophobicContact CE2-CD2 3.98Å; Y236-F268 HydrophobicContact CE2-CG 4.03Å; Y236-F268 HydrophobicContact CG-CB 4.01Å; Y236-F268 AromaticContact CZ-CD2 3.48Å; Y236-F268 VanDerWaalsContact CZ-CD2 3.48Å; Y236-F268 VanDerWaalsContact OH-CD2 3.29Å; Y236-F268 WeakPolarHBondContact OH-CD2 3.37Å
237	N	62.6	Low	63.4	Low	59 Å²	59	34.4 Å²	34.4	32%	0.316	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-77.4	116.1	161.5	-76.8	-50.5	0	0	0	109.6	R262 A264 E265	N237-R262 HydrophobicContact CB-CG 4.26Å; N237-R262 VanDerWaalsContact OD1-CZ 3.3Å; N237-R262 PolarHBondContact OD1-NE 3.5Å; N237-R262 PolarHBondContact OD1-NH1 3.29Å; N237-A264 CarbonylContact O-C 3.53Å; N237-A264 WeakPolarHBondContact O-CA 3.46Å; N237-E265 HydrophobicContact CB-CB 4.17Å; N237-E265 PolarHBondContact N-OE2 3.3Å; N237-E265 PolarHBondContact O-N 3.2Å
238	D	55.7	Low	64.2	Low	21 Å²	21	33.4 Å²	33.4	11%	0.112	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-82.5	161.2	170.3	-152.2	-11.1	0	0	0	111.3	D28 T29 S240 K270	D28-D238 HydrophobicContact CB-CB 4.26Å; D28-D238 PolarHBondContact O-N 2.95Å; T29-D238 HydrophobicContact CG2-CB 3.89Å; T29-D238 WeakPolarHBondContact CG2-OD2 3.28Å; T29-D238 PolarHBondContact OG1-OD2 2.89Å; D238-S240 PolarHBondContact O-N 3.35Å; D238-K270 PolarHBondContact OD1-N 2.95Å; D238-K270 VanDerWaalsContact OD1-N 3.07Å
239	C	55.2	Low	64.6	Low	36 Å²	36	35.7 Å²	35.7	24%	0.243	20%	0.198	C	C	.	.			trans	-65.4	115.7	173.4	-92.7	0	0	0	0	110.2	R262 A264 K270 C272	C239-R262 WeakPolarHBondContact CA-O 3.38Å; C239-A264 HydrophobicContact CB-CB 4.31Å; C239-A264 WeakPolarHBondContact SG-CB 3.44Å; C239-A264 PolarHBondContact SG-N 3.04Å; C239-K270 VanDerWaalsContact CB-O 3.27Å; C239-K270 WeakPolarHBondContact CB-O 3.28Å; C239-K270 PolarHBondContact SG-O 2.96Å; C239-C272 PolarHBondContact SG-SG 3.4Å
240	S	56.2	Low	64.5	Low	27 Å²	27	39.7 Å²	39.7	19%	0.189	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114.5	178.4	179.6	0	0	0	0	110.3	D238 V243 S261 R262	D238-S240 PolarHBondContact O-N 3.35Å; S240-V243 WeakPolarHBondContact OG-CG2 2.95Å; S240-S261 WeakPolarHBondContact O-CA 3.16Å; S240-R262 PolarHBondContact N-O 3.28Å; S240-R262 VanDerWaalsContact N-O 3.12Å; S240-R262 PolarHBondContact O-N 3.14Å
241	A	50.9	Low	64.4	Low	58 Å²	58	48 Å²	48	48%	0.479	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.7	163	0	0	0	0	0	108.2
242	N	53.9	Low	64.2	Low	47 Å²	47	54.6 Å²	54.6	25%	0.251	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72	45.8	-175.9	-39	-53.7	0	0	0	115.1	K244 Y259 K260 L280	N242-K244 PolarHBondContact O-N 3.3Å; N242-Y259 HydrophobicContact CB-CD1 3.83Å; N242-K260 PolarHBondContact N-O 3.01Å; N242-L280 WeakPolarHBondContact ND2-CB 3.47Å; N242-L280 WeakPolarHBondContact ND2-CD2 3.42Å; N242-L280 WeakPolarHBondContact ND2-CG 3.48Å; N242-L280 WeakPolarHBondContact OD1-CB 2.86Å; N242-L280 WeakPolarHBondContact OD1-CD1 3.31Å
243	V	56.5	Low	63.5	Low	25 Å²	25	57.9 Å²	57.9	15%	0.152	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	118.4	155.5	-177.2	0	0	0	0	107.1	S240 D245 K260 R262	S240-V243 WeakPolarHBondContact OG-CG2 2.95Å; V243-D245 PolarHBondContact O-N 2.69Å; V243-K260 PolarHBondContact N-O 2.85Å; V243-K260 PolarHBondContact O-N 3.13Å; V243-R262 HydrophobicContact CG2-CB 3.63Å
244	K	55	Low	62.9	Low	86 Å²	86	58.6 Å²	58.6	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	108.9	167.6	-69.3	-179.2	-178.7	174.1	0	107.3	N242 I257 Y259 A283 D285	N242-K244 PolarHBondContact O-N 3.3Å; K244-I257 HydrophobicContact CB-CG2 3.89Å; K244-I257 HydrophobicContact CD-CG2 4.24Å; K244-I257 HydrophobicContact CG-CG2 3.78Å; K244-Y259 HydrophobicContact CG-CD1 4.23Å; K244-Y259 HydrophobicContact CG-CE1 3.77Å; K244-A283 WeakPolarHBondContact CE-O 3.04Å; K244-A283 PolarHBondContact NZ-O 3.39Å; K244-D285 VanDerWaalsContact NZ-N 3.11Å; K244-D285 PolarHBondContact NZ-O 2.81Å
245	D	59.8	Low	62.4	Low	65 Å²	65	58.4 Å²	58.4	35%	0.348	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.1	170	-158.9	-2.6	0	0	0	109.7	V243 I257 V258 K260	V243-D245 PolarHBondContact O-N 2.69Å; D245-I257 WeakPolarHBondContact O-CA 3.44Å; D245-V258 PolarHBondContact N-O 3.02Å; D245-V258 PolarHBondContact O-N 3.22Å; D245-K260 HydrophobicContact CB-CD 4.07Å; D245-K260 WeakPolarHBondContact OD2-CE 2.97Å; D245-K260 IonicContact OD2-NZ 2.7Å; D245-K260 PolarHBondContact OD2-NZ 3.05Å
246	C	63	Low	62.3	Low	41 Å²	41	60.4 Å²	60.4	28%	0.277	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	90.4	179.5	-92.7	0	0	0	0	109.8	C288	C246-C288 WeakPolarHBondContact CA-SG 3.36Å; C246-C288 WeakPolarHBondContact CB-SG 3.36Å; C246-C288 WeakPolarHBondContact SG-CA 2.96Å; C246-C288 WeakPolarHBondContact SG-CB 3.45Å; C246-C288 CovalentContact SG-SG 2.04Å; C246-C288 PolarHBondContact SG-SG 2.85Å
247	E	68.8	Low	62.3	Low	84 Å²	84	62 Å²	62	39%	0.393	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.9	178.7	-63.3	-160.5	148.4	0	0	111.8	N249 C255 F256 V258 K260	E247-N249 PolarHBondContact O-N 3.07Å; E247-C255 WeakPolarHBondContact O-CA 3.47Å; E247-F256 PolarHBondContact N-O 3.28Å; E247-F256 VanDerWaalsContact N-O 3.08Å; E247-F256 PolarHBondContact O-N 3.31Å; E247-V258 HydrophobicContact CB-CG2 3.86Å; E247-V258 HydrophobicContact CG-CB 4.13Å; E247-V258 HydrophobicContact CG-CG2 3.94Å; E247-K260 WeakPolarHBondContact OE1-CE 3.38Å; E247-K260 IonicContact OE1-NZ 2.65Å; E247-K260 PolarHBondContact OE1-NZ 3.5Å
248	W	66.7	Low	62.5	Low	46 Å²	46	61.6 Å²	61.6	17%	0.174	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	121.6	167.3	176.6	-98.8	0	0	0	110	P250 Q253 V301 Y309	W248-P250 WeakPolarHBondContact O-CD 2.91Å; W248-Q253 HydrophobicContact CH2-CB 4.19Å; W248-Q253 VanDerWaalsContact CH2-O 3.31Å; W248-Q253 WeakPolarHBondContact CH2-O 3.45Å; W248-Q253 VanDerWaalsContact CZ2-CA 3.48Å; W248-Q253 HydrophobicContact CZ2-CB 4.1Å; W248-V301 HydrophobicContact CH2-CB 4.14Å; W248-V301 HydrophobicContact CH2-CG2 3.59Å; W248-V301 HydrophobicContact CZ2-CB 3.48Å; W248-V301 VanDerWaalsContact CZ2-CB 3.48Å; W248-V301 HydrophobicContact CZ2-CG1 4.4Å; W248-V301 HydrophobicContact CZ2-CG2 3.46Å; W248-V301 VanDerWaalsContact CZ2-CG2 3.46Å; W248-V301 HydrophobicContact CZ3-CG2 4.35Å; W248-Y309 HydrophobicContact CB-CE1 4.2Å; W248-Y309 AromaticContact CD1-CE1 3.79Å; W248-Y309 HydrophobicContact CG-CE1 4.17Å
249	N	69.8	Low	62.7	Low	48 Å²	48	65.9 Å²	65.9	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114	170.4	-176.2	-60.2	0	0	0	109.8	E247 E251 K252 Q253 G254 F256	E247-N249 PolarHBondContact O-N 3.07Å; N249-E251 PolarHBondContact O-N 3.46Å; N249-E251 WeakPolarHBondContact OD1-CB 3.26Å; N249-E251 PolarHBondContact OD1-N 2.6Å; N249-K252 HydrophobicContact CB-CB 4.26Å; N249-K252 PolarHBondContact O-N 3.22Å; N249-K252 PolarHBondContact OD1-N 3.48Å; N249-Q253 PolarHBondContact O-N 3Å; N249-G254 PolarHBondContact N-O 2.99Å; N249-G254 PolarHBondContact O-N 2.95Å; N249-F256 HydrophobicContact CB-CD2 3.59Å; N249-F256 HydrophobicContact CB-CE2 3.84Å
250	P	63.6	Low	63	Low	84 Å²	84	67.9 Å²	67.9	55%	0.545	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.7	-177.6	-21.4	33.7	0	0	0	114.5	W248 Q253	W248-P250 WeakPolarHBondContact O-CD 2.91Å; P250-Q253 PolarHBondContact O-NE2 2.81Å
251	E	69.8	Low	63.2	Low	180 Å²	180	71.3 Å²	71.3	84%	0.841	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-39.1	-179.3	-56.8	-177	151.2	0	0	111.4	N249	N249-E251 PolarHBondContact O-N 3.46Å; N249-E251 WeakPolarHBondContact OD1-CB 3.26Å; N249-E251 PolarHBondContact OD1-N 2.6Å
252	K	71.7	Confident	63.7	Low	138 Å²	138	72.5 Å²	72.5	60%	0.6	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.9	-179.2	-64.3	-177.4	-178.4	177.8	0	113.9	N249 G254 F256	N249-K252 HydrophobicContact CB-CB 4.26Å; N249-K252 PolarHBondContact O-N 3.22Å; N249-K252 PolarHBondContact OD1-N 3.48Å; K252-G254 VanDerWaalsContact C-N 3.31Å; K252-G254 PolarHBondContact O-N 2.77Å; K252-F256 HydrophobicContact CB-CE2 3.55Å; K252-F256 HydrophobicContact CB-CZ 3.71Å; K252-F256 HydrophobicContact CD-CE1 4.02Å; K252-F256 HydrophobicContact CD-CE2 3.78Å; K252-F256 HydrophobicContact CD-CZ 3.47Å; K252-F256 VanDerWaalsContact CD-CZ 3.47Å; K252-F256 HydrophobicContact CG-CE2 4.3Å; K252-F256 HydrophobicContact CG-CZ 4.23Å
253	Q	65	Low	64	Low	73 Å²	73	78.1 Å²	78.1	34%	0.341	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	49.5	-175.3	-66.1	-71.3	-64.7	0	0	112.7	W248 N249 P250 V301	W248-Q253 HydrophobicContact CH2-CB 4.19Å; W248-Q253 VanDerWaalsContact CH2-O 3.31Å; W248-Q253 WeakPolarHBondContact CH2-O 3.45Å; W248-Q253 VanDerWaalsContact CZ2-CA 3.48Å; W248-Q253 HydrophobicContact CZ2-CB 4.1Å; N249-Q253 PolarHBondContact O-N 3Å; P250-Q253 PolarHBondContact O-NE2 2.81Å; Q253-V301 VanDerWaalsContact OE1-N 3.13Å
254	G	64.8	Low	64.3	Low	17 Å²	17	77.9 Å²	77.9	18%	0.175	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	163.3	-178.8	0	0	0	0	0	113.7	N249 K252 F256	N249-G254 PolarHBondContact N-O 2.99Å; N249-G254 PolarHBondContact O-N 2.95Å; K252-G254 VanDerWaalsContact C-N 3.31Å; K252-G254 PolarHBondContact O-N 2.77Å; G254-F256 VanDerWaalsContact O-CD2 3.25Å; G254-F256 WeakPolarHBondContact O-CD2 3.15Å; G254-F256 WeakPolarHBondContact O-CE2 3.24Å
255	C	66.5	Low	64.5	Low	32 Å²	32	76.4 Å²	76.4	22%	0.216	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.4	175.2	-46.4	0	0	0	0	109.8	E247 C290	E247-C255 WeakPolarHBondContact O-CA 3.47Å; C255-C290 HydrophobicContact CB-CB 4.34Å; C255-C290 WeakPolarHBondContact CB-SG 3.49Å; C255-C290 WeakPolarHBondContact SG-CB 3.33Å; C255-C290 CovalentContact SG-SG 2.03Å; C255-C290 PolarHBondContact SG-SG 3.48Å
256	F	67.6	Low	64.3	Low	84 Å²	84	80.7 Å²	80.7	37%	0.368	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.9	177.8	-65.4	-92.5	0	0	0	110	E247 N249 K252 G254 V258	E247-F256 PolarHBondContact N-O 3.28Å; E247-F256 VanDerWaalsContact N-O 3.08Å; E247-F256 PolarHBondContact O-N 3.31Å; N249-F256 HydrophobicContact CB-CD2 3.59Å; N249-F256 HydrophobicContact CB-CE2 3.84Å; K252-F256 HydrophobicContact CB-CE2 3.55Å; K252-F256 HydrophobicContact CB-CZ 3.71Å; K252-F256 HydrophobicContact CD-CE1 4.02Å; K252-F256 HydrophobicContact CD-CE2 3.78Å; K252-F256 HydrophobicContact CD-CZ 3.47Å; K252-F256 VanDerWaalsContact CD-CZ 3.47Å; K252-F256 HydrophobicContact CG-CE2 4.3Å; K252-F256 HydrophobicContact CG-CZ 4.23Å; G254-F256 VanDerWaalsContact O-CD2 3.25Å; G254-F256 WeakPolarHBondContact O-CD2 3.15Å; G254-F256 WeakPolarHBondContact O-CE2 3.24Å; F256-V258 PolarHBondContact O-N 3.38Å
257	I	65.1	Low	63.7	Low	52 Å²	52	83.3 Å²	83.3	27%	0.267	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117	170.9	-60.2	175.8	0	0	0	107.7	K244 D245 Y259 C288	K244-I257 HydrophobicContact CB-CG2 3.89Å; K244-I257 HydrophobicContact CD-CG2 4.24Å; K244-I257 HydrophobicContact CG-CG2 3.78Å; D245-I257 WeakPolarHBondContact O-CA 3.44Å; I257-Y259 HydrophobicContact CG2-CE1 4.17Å; I257-Y259 HydrophobicContact CG2-CE2 4.36Å; I257-C288 HydrophobicContact CD1-CB 4.48Å; I257-C288 HydrophobicContact CG1-CB 3.76Å
258	V	66.1	Low	63.2	Low	49 Å²	49	81.6 Å²	81.6	30%	0.297	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.8	170.8	179.7	0	0	0	0	107.9	D245 E247 F256 K260	D245-V258 PolarHBondContact N-O 3.02Å; D245-V258 PolarHBondContact O-N 3.22Å; E247-V258 HydrophobicContact CB-CG2 3.86Å; E247-V258 HydrophobicContact CG-CB 4.13Å; E247-V258 HydrophobicContact CG-CG2 3.94Å; F256-V258 PolarHBondContact O-N 3.38Å; V258-K260 HydrophobicContact CG1-CG 4.37Å
259	Y	61.6	Low	62.5	Low	112 Å²	112	81 Å²	81	44%	0.439	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.4	176.7	-63.9	-74.6	0	0	0	109.4	N242 K244 I257	N242-Y259 HydrophobicContact CB-CD1 3.83Å; K244-Y259 HydrophobicContact CG-CD1 4.23Å; K244-Y259 HydrophobicContact CG-CE1 3.77Å; I257-Y259 HydrophobicContact CG2-CE1 4.17Å; I257-Y259 HydrophobicContact CG2-CE2 4.36Å
260	K	61.5	Low	61.3	Low	77 Å²	77	85 Å²	85	34%	0.335	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.1	174.8	-66.3	178.7	-177.8	170.5	0	110.5	N242 V243 D245 E247 V258	N242-K260 PolarHBondContact N-O 3.01Å; V243-K260 PolarHBondContact N-O 2.85Å; V243-K260 PolarHBondContact O-N 3.13Å; D245-K260 HydrophobicContact CB-CD 4.07Å; D245-K260 WeakPolarHBondContact OD2-CE 2.97Å; D245-K260 IonicContact OD2-NZ 2.7Å; D245-K260 PolarHBondContact OD2-NZ 3.05Å; E247-K260 WeakPolarHBondContact OE1-CE 3.38Å; E247-K260 IonicContact OE1-NZ 2.65Å; E247-K260 PolarHBondContact OE1-NZ 3.5Å; V258-K260 HydrophobicContact CG1-CG 4.37Å
261	S	60.2	Low	60.5	Low	100 Å²	100	89.9 Å²	89.9	70%	0.699	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.1	156.2	50.1	0	0	0	0	108.5	S240	S240-S261 WeakPolarHBondContact O-CA 3.16Å
262	R	60.5	Low	59.4	Low	83 Å²	83	84.7 Å²	84.7	31%	0.313	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.9	168.7	175.2	-177.4	-79.2	173.2	4	108.3	D28 N237 C239 S240 V243	D28-R262 IonicContact OD2-CZ 3.93Å; D28-R262 IonicContact OD2-NH1 2.75Å; D28-R262 PolarHBondContact OD2-NH1 3.1Å; N237-R262 HydrophobicContact CB-CG 4.26Å; N237-R262 VanDerWaalsContact OD1-CZ 3.3Å; N237-R262 PolarHBondContact OD1-NE 3.5Å; N237-R262 PolarHBondContact OD1-NH1 3.29Å; C239-R262 WeakPolarHBondContact CA-O 3.38Å; S240-R262 PolarHBondContact N-O 3.28Å; S240-R262 VanDerWaalsContact N-O 3.12Å; S240-R262 PolarHBondContact O-N 3.14Å; V243-R262 HydrophobicContact CG2-CB 3.63Å
263	E	60.3	Low	58.2	Low	164 Å²	164	84.1 Å²	84.1	77%	0.766	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-75.2	150	170	-63.9	-176.6	166.9	0	0	110.4
264	A	62.3	Low	57.4	Low	20 Å²	20	91 Å²	91	17%	0.165	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-67.6	141.1	176.6	0	0	0	0	0	111.8	N237 C239 L266	N237-A264 CarbonylContact O-C 3.53Å; N237-A264 WeakPolarHBondContact O-CA 3.46Å; C239-A264 HydrophobicContact CB-CB 4.31Å; C239-A264 WeakPolarHBondContact SG-CB 3.44Å; C239-A264 PolarHBondContact SG-N 3.04Å; A264-L266 PolarHBondContact O-N 3.09Å
265	E	60	Low	56.4	Low	55 Å²	55	97 Å²	97	26%	0.257	49%	0.49	S	S	.	.			trans	-74.4	96.5	172.6	-168.1	161.6	-171.5	0	0	109.8	K74 Y236 N237 F268	K74-E265 WeakPolarHBondContact CD-OE1 3.43Å; K74-E265 WeakPolarHBondContact CE-OE1 3.21Å; K74-E265 IonicContact NZ-OE1 2.58Å; K74-E265 PolarHBondContact NZ-OE1 3.25Å; K74-E265 IonicContact NZ-OE2 3.7Å; K74-E265 PolarHBondContact NZ-OE2 3.07Å; Y236-E265 HydrophobicContact CD1-CB 4.28Å; Y236-E265 HydrophobicContact CD1-CG 4.09Å; N237-E265 HydrophobicContact CB-CB 4.17Å; N237-E265 PolarHBondContact N-OE2 3.3Å; N237-E265 PolarHBondContact O-N 3.2Å; E265-F268 CarbonylContact O-C 3.56Å; E265-F268 PolarHBondContact O-N 2.83Å
266	L	55.6	Low	55.1	Low	156 Å²	156	98.5 Å²	98.5	82%	0.817	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	144.7	-178.6	-72.6	174.2	0	0	0	112.3	A264	A264-L266 PolarHBondContact O-N 3.09Å
267	P	51	Low	54	Low	96 Å²	96	100 Å²	100	62%	0.623	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.1	15.1	0.6	37	-36.9	0	0	0	114.1
268	F	57.5	Low	53	Low	47 Å²	47	105.4 Å²	105.4	21%	0.206	54%	0.541	C	S	.	.	S	Bend	trans	-119.1	69.2	-164.9	-54.3	-63.7	0	0	0	113.3	E33 K72 Y236 E265	E33-F268 HydrophobicContact CG-CD1 4.28Å; E33-F268 WeakPolarHBondContact OE1-CD1 3.46Å; E33-F268 VanDerWaalsContact OE1-CG 3.24Å; E33-F268 WeakPolarHBondContact OE1-CG 3.39Å; K72-F268 HydrophobicContact CD-CZ 4.03Å; K72-F268 HydrophobicContact CG-CZ 4.47Å; K72-F268 WeakPolarHBondContact O-CE2 3.41Å; Y236-F268 HydrophobicContact CD1-CB 4.31Å; Y236-F268 HydrophobicContact CD2-CB 3.71Å; Y236-F268 HydrophobicContact CE1-CB 4.31Å; Y236-F268 AromaticContact CE1-CD2 3.89Å; Y236-F268 HydrophobicContact CE1-CD2 3.89Å; Y236-F268 HydrophobicContact CE2-CB 3.69Å; Y236-F268 AromaticContact CE2-CD2 3.98Å; Y236-F268 HydrophobicContact CE2-CD2 3.98Å; Y236-F268 HydrophobicContact CE2-CG 4.03Å; Y236-F268 HydrophobicContact CG-CB 4.01Å; Y236-F268 AromaticContact CZ-CD2 3.48Å; Y236-F268 VanDerWaalsContact CZ-CD2 3.48Å; Y236-F268 VanDerWaalsContact OH-CD2 3.29Å; Y236-F268 WeakPolarHBondContact OH-CD2 3.37Å; E265-F268 CarbonylContact O-C 3.56Å; E265-F268 PolarHBondContact O-N 2.83Å
269	G	51.5	Low	51.7	Low	35 Å²	35	110.6 Å²	110.6	36%	0.361	56%	0.562	S	S	.	*	S	Bend	trans	-167.9	169.4	167.1	0	0	0	0	0	110.7
270	K	45.7	Very low	50.6	Low	130 Å²	130	107.2 Å²	107.2	57%	0.565	55%	0.551	S	S	*	*			trans	-74.1	149.8	179.2	-71.7	-176.6	176.7	-179.6	0	111.2	D238 C239	D238-K270 PolarHBondContact OD1-N 2.95Å; D238-K270 VanDerWaalsContact OD1-N 3.07Å; C239-K270 VanDerWaalsContact CB-O 3.27Å; C239-K270 WeakPolarHBondContact CB-O 3.28Å; C239-K270 PolarHBondContact SG-O 2.96Å
271	E	45.3	Very low	49.5	Very low	187 Å²	187	109.4 Å²	109.4	87%	0.874	57%	0.566	S	S	*	*			trans	-68.4	146.7	166.2	-167.7	176.5	173.9	0	0	110.2	D273	E271-D273 PolarHBondContact O-N 3.2Å
272	C	48	Very low	48.4	Very low	72 Å²	72	112.8 Å²	112.8	49%	0.486	57%	0.571	S	S	.	*			trans	-65.3	113.8	179.3	-84.9	0	0	0	0	112.6	C239 K274	C239-C272 PolarHBondContact SG-SG 3.4Å; C272-K274 PolarHBondContact O-N 3.36Å
273	D	46.7	Very low	47.3	Very low	126 Å²	126	112.5 Å²	112.5	67%	0.674	59%	0.586	S	S	*	*			trans	-57.5	125	157	-78.4	-27.5	0	0	0	109.7	E271 K275	E271-D273 PolarHBondContact O-N 3.2Å; D273-K275 VanDerWaalsContact C-N 3.34Å; D273-K275 HydrophobicContact CB-CD 4.5Å; D273-K275 HydrophobicContact CB-CG 4.1Å; D273-K275 PolarHBondContact O-N 2.88Å; D273-K275 IonicContact OD2-NZ 3.91Å
274	K	47.4	Very low	46	Very low	218 Å²	218	109.7 Å²	109.7	95%	0.948	58%	0.58	S	S	*	*			trans	-69.9	85.9	171.6	-68.9	-178.2	-178.9	176	0	110.7	C272	C272-K274 PolarHBondContact O-N 3.36Å
275	K	43.1	Very low	45.2	Very low	141 Å²	141	114 Å²	114	61%	0.613	60%	0.6	S	S	*	*			trans	-91.2	142.6	175.5	-65.1	-176.2	-178.5	174.2	0	111.6	D273	D273-K275 VanDerWaalsContact C-N 3.34Å; D273-K275 HydrophobicContact CB-CD 4.5Å; D273-K275 HydrophobicContact CB-CG 4.1Å; D273-K275 PolarHBondContact O-N 2.88Å; D273-K275 IonicContact OD2-NZ 3.91Å
276	S	40.6	Very low	44.6	Very low	64 Å²	64	119.7 Å²	119.7	45%	0.448	62%	0.624	S	S	.	*			trans	-75	154.1	177	60.9	0	0	0	0	112.2	E278	S276-E278 PolarHBondContact O-N 3.34Å; S276-E278 VanDerWaalsContact O-N 3.11Å
277	T	44.8	Very low	44.4	Very low	116 Å²	116	118 Å²	118	71%	0.712	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-61.6	-20.7	-173.3	-33	0	0	0	0	114.6	L280	T277-L280 HydrophobicContact CG2-CD1 4.16Å; T277-L280 WeakPolarHBondContact O-CB 3.28Å; T277-L280 WeakPolarHBondContact O-CG 3.22Å; T277-L280 PolarHBondContact O-N 3.07Å
278	E	42.5	Very low	44.5	Very low	165 Å²	165	115 Å²	115	77%	0.771	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-74	-32.4	-173.7	-65.9	174.8	138	0	0	113.5	S276 L280	S276-E278 PolarHBondContact O-N 3.34Å; S276-E278 VanDerWaalsContact O-N 3.11Å; E278-L280 PolarHBondContact O-N 3.09Å; E278-L280 VanDerWaalsContact O-N 3.17Å
279	H	38.9	Very low	44.3	Very low	159 Å²	159	117.5 Å²	117.5	74%	0.736	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-72.8	-4.5	178.8	-83.9	117.8	0	0	0	113.9
280	L	39.9	Very low	44.3	Very low	40 Å²	40	116.6 Å²	116.6	21%	0.209	61%	0.608	C	S	.	*	G	3₁₀ helix	trans	-89.6	-11.9	-164.1	-53.2	-172.4	0	0	0	114.2	N242 T277 E278	N242-L280 WeakPolarHBondContact ND2-CB 3.47Å; N242-L280 WeakPolarHBondContact ND2-CD2 3.42Å; N242-L280 WeakPolarHBondContact ND2-CG 3.48Å; N242-L280 WeakPolarHBondContact OD1-CB 2.86Å; N242-L280 WeakPolarHBondContact OD1-CD1 3.31Å; T277-L280 HydrophobicContact CG2-CD1 4.16Å; T277-L280 WeakPolarHBondContact O-CB 3.28Å; T277-L280 WeakPolarHBondContact O-CG 3.22Å; T277-L280 PolarHBondContact O-N 3.07Å; E278-L280 PolarHBondContact O-N 3.09Å; E278-L280 VanDerWaalsContact O-N 3.17Å
281	L	37.8	Very low	44.4	Very low	124 Å²	124	115.4 Å²	115.4	65%	0.649	61%	0.613	S	S	*	*	S	Bend	trans	-95.1	-9.2	-164.4	-80.5	162.3	0	0	0	116.8
282	H	37.4	Very low	44.6	Very low	171 Å²	171	112.4 Å²	112.4	79%	0.792	60%	0.598	S	S	*	*			trans	-96.1	-3.9	-168.2	-84.3	-74.6	0	0	0	116.7	V284	H282-V284 PolarHBondContact O-N 3.25Å
283	A	36.2	Very low	44.6	Very low	76 Å²	76	114.6 Å²	114.6	63%	0.628	61%	0.605	S	S	*	*			trans	-84.1	72.3	177.9	0	0	0	0	0	112.2	K244	K244-A283 WeakPolarHBondContact CE-O 3.04Å; K244-A283 PolarHBondContact NZ-O 3.39Å
284	V	34.4	Very low	45	Very low	106 Å²	106	111.6 Å²	111.6	64%	0.642	59%	0.588	S	S	*	*			trans	-78.4	124	-177.6	-178	0	0	0	0	111.4	H282 K286	H282-V284 PolarHBondContact O-N 3.25Å; V284-K286 HydrophobicContact CG1-CG 4.13Å
285	D	44.1	Very low	45.7	Very low	109 Å²	109	105.9 Å²	105.9	58%	0.583	57%	0.573	S	S	*	*			trans	-153.1	149.3	135.4	-153.8	-7.1	0	0	0	108.1	K244	K244-D285 VanDerWaalsContact NZ-N 3.11Å; K244-D285 PolarHBondContact NZ-O 2.81Å
286	K	48.9	Very low	47.2	Very low	176 Å²	176	100.2 Å²	100.2	77%	0.765	55%	0.551	S	S	*	*			trans	-108.3	-2.8	-146.9	-82.9	-176.1	176.2	176.6	0	117.1	V284	V284-K286 HydrophobicContact CG1-CG 4.13Å
287	T	50.2	Low	49	Very low	121 Å²	121	104.2 Å²	104.2	74%	0.742	56%	0.56	S	S	*	*			trans	-95.8	117.7	-175.9	45.1	0	0	0	0	112
288	C	54.1	Low	50.9	Low	31 Å²	31	101.1 Å²	101.1	21%	0.209	54%	0.538	C	S	.	.			trans	-113.2	112.9	169.7	178.1	0	0	0	0	109.1	C246 I257	C246-C288 WeakPolarHBondContact CA-SG 3.36Å; C246-C288 WeakPolarHBondContact CB-SG 3.36Å; C246-C288 WeakPolarHBondContact SG-CA 2.96Å; C246-C288 WeakPolarHBondContact SG-CB 3.45Å; C246-C288 CovalentContact SG-SG 2.04Å; C246-C288 PolarHBondContact SG-SG 2.85Å; I257-C288 HydrophobicContact CD1-CB 4.48Å; I257-C288 HydrophobicContact CG1-CB 3.76Å
289	V	53	Low	52.7	Low	101 Å²	101	93.7 Å²	93.7	61%	0.612	51%	0.505	S	S	*	.			trans	-111.9	119.1	178.5	-177.3	0	0	0	0	107.3
290	C	51.6	Low	54.6	Low	16 Å²	16	88.9 Å²	88.9	11%	0.108	48%	0.484	C	S	.	.			trans	-66.9	143.3	175	-76.8	0	0	0	0	109.9	C255 F292	C255-C290 HydrophobicContact CB-CB 4.34Å; C255-C290 WeakPolarHBondContact CB-SG 3.49Å; C255-C290 WeakPolarHBondContact SG-CB 3.33Å; C255-C290 CovalentContact SG-SG 2.03Å; C255-C290 PolarHBondContact SG-SG 3.48Å; C290-F292 PolarHBondContact O-N 2.91Å
291	P	47.6	Very low	56.1	Low	104 Å²	104	87.8 Å²	87.8	68%	0.675	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.7	176.8	24.6	-33.6	0	0	0	114.1
292	F	50.3	Low	57.8	Low	125 Å²	125	86.6 Å²	86.6	55%	0.548	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	66.8	179.4	-49.4	-68	0	0	0	110.6	C290 I294 Y309	C290-F292 PolarHBondContact O-N 2.91Å; F292-I294 PolarHBondContact O-N 2.89Å; F292-Y309 HydrophobicContact CD2-CD2 4.42Å
293	D	46.3	Very low	59.3	Low	118 Å²	118	81.5 Å²	81.5	63%	0.631	46%	0.456	S	S	*	.			trans	-66.2	81	166.7	-108.9	-12.4	0	0	0	110	P295	D293-P295 VanDerWaalsContact C-CD 3.43Å; D293-P295 WeakPolarHBondContact O-CD 3.43Å
294	I	56.4	Low	60.7	Low	62 Å²	62	79.6 Å²	79.6	32%	0.318	44%	0.437	S	S	.	.			trans	-101.5	88.4	160	-50.2	179.9	0	0	0	106.3	F292 C296 C311 S320 A321	F292-I294 PolarHBondContact O-N 2.89Å; I294-C296 PolarHBondContact O-N 2.67Å; I294-C311 VanDerWaalsContact CG2-SG 3.52Å; I294-S320 WeakPolarHBondContact CG2-O 3.34Å; I294-A321 HydrophobicContact CG2-CB 3.89Å
295	P	62.4	Low	62.5	Low	98 Å²	98	81.2 Å²	81.2	64%	0.636	45%	0.453	S	S	*	.			trans	-66	101.7	176.6	26.5	-34.1	0	0	0	109.4	D293 K297	D293-P295 VanDerWaalsContact C-CD 3.43Å; D293-P295 WeakPolarHBondContact O-CD 3.43Å; P295-K297 PolarHBondContact O-N 3.03Å
296	C	73	Confident	63.6	Low	23 Å²	23	79.7 Å²	79.7	16%	0.155	45%	0.445	C	S	.	.			trans	-68.3	92.2	178.1	-55.2	0	0	0	0	110.2	I294 H298 G299 V301 C311 A321	I294-C296 PolarHBondContact O-N 2.67Å; C296-H298 VanDerWaalsContact C-N 3.26Å; C296-H298 PolarHBondContact O-N 2.85Å; C296-G299 WeakPolarHBondContact CB-O 3.47Å; C296-V301 WeakPolarHBondContact SG-CG2 3.28Å; C296-C311 WeakPolarHBondContact CA-SG 3.41Å; C296-C311 HydrophobicContact CB-CB 3.88Å; C296-C311 WeakPolarHBondContact CB-SG 3.22Å; C296-C311 WeakPolarHBondContact SG-CA 3.23Å; C296-C311 WeakPolarHBondContact SG-CB 3.36Å; C296-C311 CovalentContact SG-SG 2.03Å; C296-C311 PolarHBondContact SG-SG 3.45Å; C296-A321 CarbonylContact C-O 3.49Å; C296-A321 WeakPolarHBondContact CA-O 3.17Å
297	K	78.6	Confident	64	Low	147 Å²	147	74 Å²	74	64%	0.639	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.1	-171.6	-168.4	178.7	178.3	177.3	0	113.2	P295 A321	P295-K297 PolarHBondContact O-N 3.03Å; K297-A321 PolarHBondContact N-O 3.28Å
298	H	84.4	Confident	64.6	Low	52 Å²	52	75.4 Å²	75.4	24%	0.241	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.1	54	176.8	-44.8	102.8	0	0	0	110.7	C296 F314 Y317 C322	C296-H298 VanDerWaalsContact C-N 3.26Å; C296-H298 PolarHBondContact O-N 2.85Å; H298-F314 VanDerWaalsContact O-CD2 3.32Å; H298-F314 WeakPolarHBondContact O-CD2 3.31Å; H298-F314 PolarHBondContact O-N 3.25Å; H298-Y317 HydrophobicContact CB-CD1 3.54Å; H298-Y317 HydrophobicContact CB-CD2 3.66Å; H298-Y317 HydrophobicContact CB-CE1 3.8Å; H298-Y317 HydrophobicContact CB-CE2 3.91Å; H298-Y317 HydrophobicContact CB-CG 3.45Å; H298-Y317 VanDerWaalsContact CB-CG 3.45Å; H298-Y317 AromaticContact CD2-CE1 3.69Å; H298-Y317 AromaticContact CD2-CZ 3.8Å; H298-Y317 AromaticContact CE1-CD1 3.97Å; H298-Y317 AromaticContact CE1-CE1 3.57Å; H298-Y317 AromaticContact CG-CD1 3.47Å; H298-Y317 VanDerWaalsContact CG-CD1 3.47Å; H298-Y317 AromaticContact CG-CE1 3.35Å; H298-Y317 AromaticContact CG-CG 3.95Å; H298-Y317 AromaticContact CG-CZ 3.74Å; H298-Y317 AromaticContact ND1-CD1 3.28Å; H298-Y317 VanDerWaalsContact ND1-CD1 3.28Å; H298-Y317 WeakPolarHBondContact ND1-CD1 3.05Å; H298-Y317 AromaticContact ND1-CE1 3.3Å; H298-Y317 VanDerWaalsContact ND1-CE1 3.3Å; H298-Y317 WeakPolarHBondContact ND1-CE1 3.29Å; H298-Y317 AromaticContact NE2-CE1 3.83Å; H298-C322 HydrophobicContact CB-CB 4.42Å; H298-C322 PolarHBondContact ND1-O 3.49Å
299	G	82.3	Confident	65.2	Low	9 Å²	9	77.7 Å²	77.7	9%	0.093	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	-173.8	178.8	0	0	0	0	0	112.1	C296 H312	C296-G299 WeakPolarHBondContact CB-O 3.47Å; G299-H312 CarbonylContact C-O 3.55Å; G299-H312 WeakPolarHBondContact CA-O 3.24Å
300	I	78.2	Confident	66.3	Low	57 Å²	57	78.1 Å²	78.1	29%	0.292	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.5	174.6	56.7	178.5	0	0	0	110.2	K302 H312 F314	I300-K302 HydrophobicContact CG1-CG 4.44Å; I300-H312 HydrophobicContact CG1-CB 4.06Å; I300-H312 PolarHBondContact N-O 2.62Å; I300-H312 PolarHBondContact O-N 3.22Å; I300-F314 HydrophobicContact CG2-CE1 4.07Å; I300-F314 HydrophobicContact CG2-CZ 3.94Å
301	V	71.9	Confident	67.7	Low	18 Å²	18	78.3 Å²	78.3	11%	0.109	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132	171.2	-170.2	0	0	0	0	108.5	W248 Q253 C296 Y309	W248-V301 HydrophobicContact CH2-CB 4.14Å; W248-V301 HydrophobicContact CH2-CG2 3.59Å; W248-V301 HydrophobicContact CZ2-CB 3.48Å; W248-V301 VanDerWaalsContact CZ2-CB 3.48Å; W248-V301 HydrophobicContact CZ2-CG1 4.4Å; W248-V301 HydrophobicContact CZ2-CG2 3.46Å; W248-V301 VanDerWaalsContact CZ2-CG2 3.46Å; W248-V301 HydrophobicContact CZ3-CG2 4.35Å; Q253-V301 VanDerWaalsContact OE1-N 3.13Å; C296-V301 WeakPolarHBondContact SG-CG2 3.28Å; V301-Y309 HydrophobicContact CG1-CD1 3.83Å; V301-Y309 HydrophobicContact CG1-CG 4.19Å
302	K	72.5	Confident	69.3	Low	98 Å²	98	78.1 Å²	78.1	43%	0.426	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.2	168.5	-64.9	-160.4	179.4	-167.6	0	111.1	I300 Y309 K310 H312	I300-K302 HydrophobicContact CG1-CG 4.44Å; K302-Y309 WeakPolarHBondContact O-CA 3.48Å; K302-K310 PolarHBondContact N-O 3.35Å; K302-K310 PolarHBondContact O-N 3.34Å; K302-H312 HydrophobicContact CD-CB 4.5Å; K302-H312 HydrophobicContact CG-CB 4.43Å
303	A	68	Low	71	Confident	64 Å²	64	74.2 Å²	74.2	53%	0.529	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.9	166.4	0	0	0	0	0	109.9	R308 Y309	A303-R308 CarbonylContact C-O 3.33Å; A303-R308 WeakPolarHBondContact CA-O 3.39Å; A303-Y309 HydrophobicContact CB-CD1 4.08Å; A303-Y309 HydrophobicContact CB-CE1 3.75Å
304	T	67.7	Low	72.8	Confident	36 Å²	36	74 Å²	74	22%	0.221	40%	0.399	C	S	.	.			trans	-96.1	161.8	167.9	44.7	0	0	0	0	110.5	D306 G307 R308 K310	T304-D306 VanDerWaalsContact CB-OD1 3.27Å; T304-D306 WeakPolarHBondContact CB-OD1 3.3Å; T304-D306 PolarHBondContact O-N 3.23Å; T304-D306 PolarHBondContact OG1-OD1 3.02Å; T304-G307 PolarHBondContact O-N 3.29Å; T304-R308 PolarHBondContact N-O 3.29Å; T304-R308 PolarHBondContact OG1-O 2.94Å; T304-R308 VanDerWaalsContact OG1-O 3.05Å; T304-K310 HydrophobicContact CG2-CB 4.4Å; T304-K310 HydrophobicContact CG2-CD 3.88Å; T304-K310 HydrophobicContact CG2-CG 4.02Å
305	S	70.8	Confident	74.2	Confident	140 Å²	140	79.5 Å²	79.5	98%	0.979	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.3	-173.6	52.8	0	0	0	0	115.1
306	D	67.3	Low	75.3	Confident	78 Å²	78	75.6 Å²	75.6	42%	0.417	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	11.6	175	60.6	-0.5	0	0	0	113	T304 R308	T304-D306 VanDerWaalsContact CB-OD1 3.27Å; T304-D306 WeakPolarHBondContact CB-OD1 3.3Å; T304-D306 PolarHBondContact O-N 3.23Å; T304-D306 PolarHBondContact OG1-OD1 3.02Å; D306-R308 PolarHBondContact O-N 2.92Å; D306-R308 WeakPolarHBondContact OD1-CB 3.45Å; D306-R308 PolarHBondContact OD1-N 3.45Å; D306-R308 IonicContact OD1-NE 3.83Å; D306-R308 IonicContact OD2-CZ 3.14Å; D306-R308 IonicContact OD2-NE 2.79Å; D306-R308 PolarHBondContact OD2-NE 2.89Å; D306-R308 IonicContact OD2-NH2 2.68Å; D306-R308 PolarHBondContact OD2-NH2 3.37Å
307	G	57.1	Low	75.8	Confident	56 Å²	56	78 Å²	78	58%	0.577	41%	0.407	S	S	*	.	S	Bend	trans	76.7	-0.2	179.7	0	0	0	0	0	115.2	T304	T304-G307 PolarHBondContact O-N 3.29Å
308	R	63.4	Low	76	Confident	150 Å²	150	71.4 Å²	71.4	57%	0.566	38%	0.38	S	S	*	.			trans	-79.6	168.9	172.2	-63.9	-172.7	-73.1	-166.7	-8.6	110.8	A303 T304 D306	A303-R308 CarbonylContact C-O 3.33Å; A303-R308 WeakPolarHBondContact CA-O 3.39Å; T304-R308 PolarHBondContact N-O 3.29Å; T304-R308 PolarHBondContact OG1-O 2.94Å; T304-R308 VanDerWaalsContact OG1-O 3.05Å; D306-R308 PolarHBondContact O-N 2.92Å; D306-R308 WeakPolarHBondContact OD1-CB 3.45Å; D306-R308 PolarHBondContact OD1-N 3.45Å; D306-R308 IonicContact OD1-NE 3.83Å; D306-R308 IonicContact OD2-CZ 3.14Å; D306-R308 IonicContact OD2-NE 2.79Å; D306-R308 PolarHBondContact OD2-NE 2.89Å; D306-R308 IonicContact OD2-NH2 2.68Å; D306-R308 PolarHBondContact OD2-NH2 3.37Å
309	Y	65.6	Low	75.8	Confident	80 Å²	80	70.8 Å²	70.8	31%	0.314	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.6	176.3	-70.8	-89	0	0	0	110.6	W248 F292 V301 K302 A303	W248-Y309 HydrophobicContact CB-CE1 4.2Å; W248-Y309 AromaticContact CD1-CE1 3.79Å; W248-Y309 HydrophobicContact CG-CE1 4.17Å; F292-Y309 HydrophobicContact CD2-CD2 4.42Å; V301-Y309 HydrophobicContact CG1-CD1 3.83Å; V301-Y309 HydrophobicContact CG1-CG 4.19Å; K302-Y309 WeakPolarHBondContact O-CA 3.48Å; A303-Y309 HydrophobicContact CB-CD1 4.08Å; A303-Y309 HydrophobicContact CB-CE1 3.75Å
310	K	77.2	Confident	75.7	Confident	110 Å²	110	75.1 Å²	75.1	48%	0.478	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.5	177.8	-63.6	-172.2	-174.3	174.7	0	111.2	K302 T304	K302-K310 PolarHBondContact N-O 3.35Å; K302-K310 PolarHBondContact O-N 3.34Å; T304-K310 HydrophobicContact CG2-CB 4.4Å; T304-K310 HydrophobicContact CG2-CD 3.88Å; T304-K310 HydrophobicContact CG2-CG 4.02Å
311	C	80.3	Confident	75.8	Confident	20 Å²	20	73.4 Å²	73.4	14%	0.135	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.5	171.2	-64	0	0	0	0	112	I294 C296 S320 C322	I294-C311 VanDerWaalsContact CG2-SG 3.52Å; C296-C311 WeakPolarHBondContact CA-SG 3.41Å; C296-C311 HydrophobicContact CB-CB 3.88Å; C296-C311 WeakPolarHBondContact CB-SG 3.22Å; C296-C311 WeakPolarHBondContact SG-CA 3.23Å; C296-C311 WeakPolarHBondContact SG-CB 3.36Å; C296-C311 CovalentContact SG-SG 2.03Å; C296-C311 PolarHBondContact SG-SG 3.45Å; C311-S320 PolarHBondContact SG-O 2.94Å; C311-C322 WeakPolarHBondContact CB-SG 3.14Å
312	H	82.7	Confident	76.4	Confident	99 Å²	99	72.5 Å²	72.5	46%	0.458	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	108.4	160.7	-85.2	-120.9	0	0	0	108.5	G299 I300 K302	G299-H312 CarbonylContact C-O 3.55Å; G299-H312 WeakPolarHBondContact CA-O 3.24Å; I300-H312 HydrophobicContact CG1-CB 4.06Å; I300-H312 PolarHBondContact N-O 2.62Å; I300-H312 PolarHBondContact O-N 3.22Å; K302-H312 HydrophobicContact CD-CB 4.5Å; K302-H312 HydrophobicContact CG-CB 4.43Å
313	C	84.5	Confident	76.7	Confident	43 Å²	43	71.2 Å²	71.2	29%	0.291	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.2	-177.2	-52.5	0	0	0	0	112.6	Y317 C322	C313-Y317 WeakPolarHBondContact CB-O 3.02Å; C313-C322 WeakPolarHBondContact CA-SG 3.21Å; C313-C322 HydrophobicContact CB-CB 3.7Å; C313-C322 WeakPolarHBondContact CB-SG 3.43Å; C313-C322 PolarHBondContact N-SG 2.93Å; C313-C322 VanDerWaalsContact N-SG 3.41Å; C313-C322 WeakPolarHBondContact SG-CA 3.41Å; C313-C322 WeakPolarHBondContact SG-CB 2.94Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 3.25Å
314	F	85	Confident	77.5	Confident	113 Å²	113	74.7 Å²	74.7	50%	0.496	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-64.4	156.9	166.7	-59.4	-46.9	0	0	0	110.2	H298 I300 G316 Y317	H298-F314 VanDerWaalsContact O-CD2 3.32Å; H298-F314 WeakPolarHBondContact O-CD2 3.31Å; H298-F314 PolarHBondContact O-N 3.25Å; I300-F314 HydrophobicContact CG2-CE1 4.07Å; I300-F314 HydrophobicContact CG2-CZ 3.94Å; F314-G316 PolarHBondContact O-N 3.34Å; F314-Y317 HydrophobicContact CB-CD2 4.24Å; F314-Y317 PolarHBondContact O-N 2.69Å
315	H	86.1	Confident	78	Confident	179 Å²	179	77.7 Å²	77.7	83%	0.829	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	131.9	-179.3	179.3	-77.7	0	0	0	111.2	K328	H315-K328 PolarHBondContact CE1-NZ 2.99Å; H315-K328 PolarHBondContact NE2-NZ 3.14Å
316	G	85	Confident	77.9	Confident	15 Å²	15	76.4 Å²	76.4	16%	0.155	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	4.9	-174.9	0	0	0	0	0	114.6	F314 V325 Q326	F314-G316 PolarHBondContact O-N 3.34Å; G316-V325 CarbonylContact O-C 3.38Å; G316-V325 WeakPolarHBondContact O-CA 3.16Å; G316-Q326 PolarHBondContact O-N 2.68Å
317	Y	83.2	Confident	77.2	Confident	75 Å²	75	80.9 Å²	80.9	29%	0.294	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.9	174	-62.6	-85.1	0	0	0	112.8	H298 C313 F314 K324 V325	H298-Y317 HydrophobicContact CB-CD1 3.54Å; H298-Y317 HydrophobicContact CB-CD2 3.66Å; H298-Y317 HydrophobicContact CB-CE1 3.8Å; H298-Y317 HydrophobicContact CB-CE2 3.91Å; H298-Y317 HydrophobicContact CB-CG 3.45Å; H298-Y317 VanDerWaalsContact CB-CG 3.45Å; H298-Y317 AromaticContact CD2-CE1 3.69Å; H298-Y317 AromaticContact CD2-CZ 3.8Å; H298-Y317 AromaticContact CE1-CD1 3.97Å; H298-Y317 AromaticContact CE1-CE1 3.57Å; H298-Y317 AromaticContact CG-CD1 3.47Å; H298-Y317 VanDerWaalsContact CG-CD1 3.47Å; H298-Y317 AromaticContact CG-CE1 3.35Å; H298-Y317 AromaticContact CG-CG 3.95Å; H298-Y317 AromaticContact CG-CZ 3.74Å; H298-Y317 AromaticContact ND1-CD1 3.28Å; H298-Y317 VanDerWaalsContact ND1-CD1 3.28Å; H298-Y317 WeakPolarHBondContact ND1-CD1 3.05Å; H298-Y317 AromaticContact ND1-CE1 3.3Å; H298-Y317 VanDerWaalsContact ND1-CE1 3.3Å; H298-Y317 WeakPolarHBondContact ND1-CE1 3.29Å; H298-Y317 AromaticContact NE2-CE1 3.83Å; C313-Y317 WeakPolarHBondContact CB-O 3.02Å; F314-Y317 HydrophobicContact CB-CD2 4.24Å; F314-Y317 PolarHBondContact O-N 2.69Å; Y317-K324 CarbonylContact C-O 3.5Å; Y317-K324 VanDerWaalsContact CA-O 3.28Å; Y317-K324 WeakPolarHBondContact CA-O 3.38Å; Y317-V325 HydrophobicContact CD1-CG2 4.24Å; Y317-V325 HydrophobicContact CE1-CG2 3.86Å
318	G	83.5	Confident	76.8	Confident	8 Å²	8	82.5 Å²	82.5	8%	0.082	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-175.7	-178.2	0	0	0	0	0	112.4	C322 E323 K324	G318-C322 CarbonylContact O-C 3.56Å; G318-C322 VanDerWaalsContact O-CA 3.3Å; G318-C322 WeakPolarHBondContact O-CA 3.35Å; G318-E323 PolarHBondContact O-N 3.06Å; G318-K324 PolarHBondContact N-O 3.44Å; G318-K324 WeakPolarHBondContact O-CB 3.47Å; G318-K324 PolarHBondContact O-N 3.04Å
319	G	80.6	Confident	75.6	Confident	39 Å²	39	82.6 Å²	82.6	40%	0.402	42%	0.42	S	S	.	.	S	Bend	trans	93.7	167.9	-165.2	0	0	0	0	0	111.5	A321 C322 E323	G319-A321 PolarHBondContact O-N 3.06Å; G319-C322 PolarHBondContact O-N 3.04Å; G319-E323 WeakPolarHBondContact CA-OE1 3.48Å; G319-E323 WeakPolarHBondContact CA-OE2 3.35Å
320	S	78.6	Confident	74.2	Confident	100 Å²	100	84.9 Å²	84.9	70%	0.699	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.6	-176.8	44.8	0	0	0	0	113.1	I294 C311 E323	I294-S320 WeakPolarHBondContact CG2-O 3.34Å; C311-S320 PolarHBondContact SG-O 2.94Å; S320-E323 PolarHBondContact N-OE2 2.91Å
321	A	80	Confident	72.4	Confident	20 Å²	20	83.9 Å²	83.9	17%	0.165	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	15.2	177.1	0	0	0	0	0	112.4	I294 C296 K297 G319 E323	I294-A321 HydrophobicContact CG2-CB 3.89Å; C296-A321 CarbonylContact C-O 3.49Å; C296-A321 WeakPolarHBondContact CA-O 3.17Å; K297-A321 PolarHBondContact N-O 3.28Å; G319-A321 PolarHBondContact O-N 3.06Å; A321-E323 WeakPolarHBondContact CA-OE2 3.36Å; A321-E323 PolarHBondContact N-OE2 3.42Å; A321-E323 PolarHBondContact O-N 2.98Å
322	C	84.7	Confident	70.6	Confident	0 Å²	0	86 Å²	86	0%	0	46%	0.461	C	S	.	.	S	Bend	trans	55.7	29.7	-174.8	-51.7	0	0	0	0	113.8	H298 C311 C313 G318 G319	H298-C322 HydrophobicContact CB-CB 4.42Å; H298-C322 PolarHBondContact ND1-O 3.49Å; C311-C322 WeakPolarHBondContact CB-SG 3.14Å; C313-C322 WeakPolarHBondContact CA-SG 3.21Å; C313-C322 HydrophobicContact CB-CB 3.7Å; C313-C322 WeakPolarHBondContact CB-SG 3.43Å; C313-C322 PolarHBondContact N-SG 2.93Å; C313-C322 VanDerWaalsContact N-SG 3.41Å; C313-C322 WeakPolarHBondContact SG-CA 3.41Å; C313-C322 WeakPolarHBondContact SG-CB 2.94Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 3.25Å; G318-C322 CarbonylContact O-C 3.56Å; G318-C322 VanDerWaalsContact O-CA 3.3Å; G318-C322 WeakPolarHBondContact O-CA 3.35Å; G319-C322 PolarHBondContact O-N 3.04Å
323	E	80.3	Confident	68.2	Low	71 Å²	71	85.2 Å²	85.2	33%	0.332	46%	0.463	S	S	.	.			trans	-80.6	-23.6	-174	75	-65.3	161.7	0	0	113.1	G318 G319 S320 A321	G318-E323 PolarHBondContact O-N 3.06Å; G319-E323 WeakPolarHBondContact CA-OE1 3.48Å; G319-E323 WeakPolarHBondContact CA-OE2 3.35Å; S320-E323 PolarHBondContact N-OE2 2.91Å; A321-E323 WeakPolarHBondContact CA-OE2 3.36Å; A321-E323 PolarHBondContact N-OE2 3.42Å; A321-E323 PolarHBondContact O-N 2.98Å
324	K	84.3	Confident	65.9	Low	136 Å²	136	87.5 Å²	87.5	59%	0.591	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.8	-179.4	-62.5	168.7	-174.4	171	0	109.5	Y317 G318 Q326	Y317-K324 CarbonylContact C-O 3.5Å; Y317-K324 VanDerWaalsContact CA-O 3.28Å; Y317-K324 WeakPolarHBondContact CA-O 3.38Å; G318-K324 PolarHBondContact N-O 3.44Å; G318-K324 WeakPolarHBondContact O-CB 3.47Å; G318-K324 PolarHBondContact O-N 3.04Å; K324-Q326 PolarHBondContact O-N 2.7Å
325	V	78.8	Confident	63.7	Low	99 Å²	99	88.3 Å²	88.3	60%	0.6	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.9	158.9	179.5	0	0	0	0	106.6	G316 Y317 Q327	G316-V325 CarbonylContact O-C 3.38Å; G316-V325 WeakPolarHBondContact O-CA 3.16Å; Y317-V325 HydrophobicContact CD1-CG2 4.24Å; Y317-V325 HydrophobicContact CE1-CG2 3.86Å; V325-Q327 VanDerWaalsContact C-N 3.26Å; V325-Q327 PolarHBondContact O-N 2.87Å
326	Q	67.7	Low	61	Low	113 Å²	113	87.7 Å²	87.7	53%	0.528	49%	0.485	S	S	.	.			trans	-64.5	99	159.9	-79.5	-177.4	-5.6	0	0	106.2	G316 K324 K328	G316-Q326 PolarHBondContact O-N 2.68Å; K324-Q326 PolarHBondContact O-N 2.7Å; Q326-K328 PolarHBondContact O-N 3.26Å
327	Q	53	Low	58.2	Low	172 Å²	172	97.8 Å²	97.8	80%	0.804	52%	0.519	S	S	*	.			trans	-57.5	96.4	157.3	-75.6	-175.1	-8.9	0	0	106.4	V325 I329	V325-Q327 VanDerWaalsContact C-N 3.26Å; V325-Q327 PolarHBondContact O-N 2.87Å; Q327-I329 PolarHBondContact O-N 3.3Å
328	K	48.2	Very low	55.9	Low	90 Å²	90	101 Å²	101	39%	0.391	54%	0.541	S	S	.	.			trans	-57.1	100.9	159.1	-97.5	-178.7	160.5	-163	0	105.5	H315 Q326 H330	H315-K328 PolarHBondContact CE1-NZ 2.99Å; H315-K328 PolarHBondContact NE2-NZ 3.14Å; Q326-K328 PolarHBondContact O-N 3.26Å; K328-H330 PolarHBondContact NZ-NE2 2.88Å; K328-H330 PolarHBondContact O-N 3.38Å
329	I	37.6	Very low	53.6	Low	152 Å²	152	104.4 Å²	104.4	78%	0.779	56%	0.563	S	S	*	*			trans	-65.7	73.1	154.5	-54.1	177.1	0	0	0	105.3	Q327 A331	Q327-I329 PolarHBondContact O-N 3.3Å; I329-A331 PolarHBondContact O-N 2.81Å
330	H	36.9	Very low	51	Low	128 Å²	128	107.7 Å²	107.7	59%	0.593	58%	0.579	S	S	*	*			trans	-69.4	88.4	159.9	-97.5	-136.2	0	0	0	105.2	K328 S332 V333	K328-H330 PolarHBondContact NZ-NE2 2.88Å; K328-H330 PolarHBondContact O-N 3.38Å; H330-S332 PolarHBondContact O-N 3.38Å; H330-V333 HydrophobicContact CB-CG2 4.08Å; H330-V333 PolarHBondContact O-N 3.31Å
331	A	40.3	Very low	48.6	Very low	90 Å²	90	114.1 Å²	114.1	74%	0.744	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	31.5	171	0	0	0	0	0	112.8	I329	I329-A331 PolarHBondContact O-N 2.81Å
332	S	41.5	Very low	46.3	Very low	63 Å²	63	119.5 Å²	119.5	44%	0.441	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.1	-16.5	-174.6	48	0	0	0	0	112.8	H330 A334 L335	H330-S332 PolarHBondContact O-N 3.38Å; S332-A334 VanDerWaalsContact C-N 3.33Å; S332-L335 PolarHBondContact O-N 3.39Å
333	V	33.4	Very low	43.7	Very low	84 Å²	84	126.6 Å²	126.6	51%	0.509	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-77.6	-21.9	173.1	-177.5	0	0	0	0	111.8	H330 L335 Y336	H330-V333 HydrophobicContact CB-CG2 4.08Å; H330-V333 PolarHBondContact O-N 3.31Å; V333-L335 PolarHBondContact O-N 3.25Å; V333-L335 VanDerWaalsContact O-N 3.08Å; V333-Y336 PolarHBondContact O-N 2.83Å
334	A	34.6	Very low	41.3	Very low	90 Å²	90	128.3 Å²	128.3	74%	0.744	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-60	-15.7	170.4	0	0	0	0	0	113.9	S332	S332-A334 VanDerWaalsContact C-N 3.33Å
335	L	38.7	Very low	38.8	Very low	130 Å²	130	130.7 Å²	130.7	68%	0.681	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-101.6	-12.4	177.7	-80	164.7	0	0	0	114.7	S332 V333	S332-L335 PolarHBondContact O-N 3.39Å; V333-L335 PolarHBondContact O-N 3.25Å; V333-L335 VanDerWaalsContact O-N 3.08Å
336	Y	29.6	Very low	36.6	Very low	166 Å²	166	131.1 Å²	131.1	65%	0.651	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-20.2	-178.9	-109.6	-86.9	0	0	0	114.8	V333 N338 S339	V333-Y336 PolarHBondContact O-N 2.83Å; Y336-N338 VanDerWaalsContact C-N 3.27Å; Y336-N338 PolarHBondContact O-N 2.62Å; Y336-S339 PolarHBondContact O-N 3.39Å
337	W	27	Very low	34.7	Very low	227 Å²	227	135.6 Å²	135.6	86%	0.86	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-15.2	176.4	-103.6	56	0	0	0	114.7
338	N	35.4	Very low	33.6	Very low	144 Å²	144	131.8 Å²	131.8	77%	0.77	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-12.4	174.6	-82.9	-18.6	0	0	0	114.4	Y336	Y336-N338 VanDerWaalsContact C-N 3.27Å; Y336-N338 PolarHBondContact O-N 2.62Å
339	S	34.8	Very low	32.6	Very low	78 Å²	78	133 Å²	133	55%	0.545	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-22.8	-174.9	-60.6	0	0	0	0	114.4	Y336 R341	Y336-S339 PolarHBondContact O-N 3.39Å; S339-R341 PolarHBondContact O-N 3.26Å
340	C	25.6	Very low	32.2	Very low	109 Å²	109	137.3 Å²	137.3	74%	0.736	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	29	179.3	-69.4	0	0	0	0	114.1
341	R	28.9	Very low	31.5	Very low	234 Å²	234	141.3 Å²	141.3	88%	0.883	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	12.6	169.7	-143.9	-177.9	-168	-173.9	4.3	113.7	S339	S339-R341 PolarHBondContact O-N 3.26Å
342	I	31.9	Very low	30.8	Very low	134 Å²	134	143 Å²	143	69%	0.687	73%	0.728	S	S	*	*	S	Bend	trans	-114.4	132.6	176.7	-57.8	179.6	0	0	0	108.9
343	N	30.4	Very low	29.9	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	74%	0.744	S	S	*	*			trans	63.8	75.8	177.9	-67.8	-6.3	0	0	0	117.8
344	S	28.8	Very low	30.8	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	75%	0.75	S	S	*	*				-57.1	153	124.2	55.5	0	0	0	0	110.2
345	Q	31.5	Very low	30.3	Very low	187 Å²	187	150.3 Å²	150.3	87%	0.874	75%	0.746	S	S	*	*			trans	90.1	71.7	179.5	-49.4	-171.5	13.8	0	0	118.5
346	S	32.3	Very low	30.6	Very low	107 Å²	107	157.2 Å²	157.2	75%	0.748	77%	0.771	S	S	*	*				-167	137.1	117.3	60.2	0	0	0	0	106.8
347	K	28.2	Very low	30.6	Very low	208 Å²	208	156.8 Å²	156.8	90%	0.904	78%	0.777	S	S	*	*			cis	53.5	67.6	46.3	-77.6	-160.7	178.9	-175.9	0	114
348	S	31	Very low	30.8	Very low	91 Å²	91	153.1 Å²	153.1	64%	0.636	77%	0.773	S	S	*	*				-164.8	137.9	127.4	45.8	0	0	0	0	112.7
349	T	25.8	Very low	30.6	Very low	117 Å²	117	153.6 Å²	153.6	72%	0.718	77%	0.773	S	S	*	*			trans	-56.7	132.2	164.6	42.5	0	0	0	0	112.1
350	W	30.4	Very low	30.3	Very low	242 Å²	242	158 Å²	158	92%	0.917	79%	0.786	S	S	*	*			trans	-137.2	143.9	151.6	-77.8	100.2	0	0	0	110.7
351	W	22.3	Very low	30.6	Very low	211 Å²	211	161.1 Å²	161.1	80%	0.799	79%	0.789	S	S	*	*			trans	-108.9	157.7	-170.4	-80.8	78.8	0	0	0	111.2
352	L	24.6	Very low	30.8	Very low	125 Å²	125	156.2 Å²	156.2	65%	0.654	78%	0.783	S	S	*	*			trans	67	126.1	145	-69.2	160	0	0	0	121.9
353	Q	23.6	Very low	30.7	Very low	164 Å²	164	157.8 Å²	157.8	77%	0.766	79%	0.79	S	S	*	*				76.7	168.5	129.5	-75.8	-174	-34.5	0	0	119.2
354	P	51.3	Low	30.7	Very low	97 Å²	97	158.5 Å²	158.5	63%	0.63	79%	0.79	S	S	*	*				-142.8	-163.2	-81.6	41.2	-18.4	0	0	0	113.6
355	I	24.9	Very low	30.9	Very low	130 Å²	130	162.8 Å²	162.8	67%	0.667	79%	0.793	S	S	*	*			trans	58.8	110.9	157.6	-57.1	163.6	0	0	0	117
356	F	44.5	Very low	30.8	Very low	275 Å²	275	160.6 Å²	160.6	100%	1.206	79%	0.786	S	S	*	*				-161.4	0	100.1	-101.1	-69.5	0	0	0	110.6

Retrieved 356 of 356 residues in 2224.6 ms (Link to these results)

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