A0A3Q0KUV2_SCHMA Loading...

Smp_200380

AlphaFold DB , UniProt , Accession A0A3Q0KUV2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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	31.1	Very low	30.3	Very low	243 Å²	243	139.2 Å²	139.2	100%	1.197	80%	0.8	S	S	*	*				0	72	0	-75.4	-176.6	173.4	0	0	109.3
2	T	32.7	Very low	30.8	Very low	137 Å²	137	135.5 Å²	135.5	84%	0.84	79%	0.785	S	S	*	*			trans	-129	97.3	178.6	30.3	0	0	0	0	108	L4	T2-L4 PolarHBondContact O-N 3.27Å
3	A	33.7	Very low	31.6	Very low	86 Å²	86	138.8 Å²	138.8	71%	0.711	78%	0.784	S	S	*	*			trans	-4.7	95.5	167.5	0	0	0	0	0	117
4	L	29.4	Very low	32.5	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	75%	0.753	S	S	*	*			trans	-86.7	25.3	157.1	-91.3	158.9	0	0	0	111.7	T2 S6 L7	T2-L4 PolarHBondContact O-N 3.27Å; L4-S6 PolarHBondContact O-N 2.89Å; L4-L7 HydrophobicContact CD2-CD1 4.46Å
5	S	30.9	Very low	33.7	Very low	106 Å²	106	129.7 Å²	129.7	74%	0.741	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	43.2	-171.5	63.8	0	0	0	0	114
6	S	30.4	Very low	34.9	Very low	117 Å²	117	127.4 Å²	127.4	82%	0.818	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.9	20.4	169.4	61.8	0	0	0	0	114	L4 C8	L4-S6 PolarHBondContact O-N 2.89Å; S6-C8 PolarHBondContact O-N 2.93Å
7	L	28	Very low	36	Very low	140 Å²	140	124.8 Å²	124.8	73%	0.733	70%	0.701	S	S	*	*	S	Bend	trans	-80.9	117.9	169.9	-80.3	160.5	0	0	0	110.4	L4	L4-L7 HydrophobicContact CD2-CD1 4.46Å
8	C	29.3	Very low	37.4	Very low	102 Å²	102	120.7 Å²	120.7	69%	0.689	68%	0.675	S	S	*	*			trans	62.6	86.1	163.8	-71.8	0	0	0	0	116.4	S6 I10	S6-C8 PolarHBondContact O-N 2.93Å; C8-I10 HydrophobicContact CB-CG1 4.33Å; C8-I10 PolarHBondContact O-N 3.16Å
9	N	26.7	Very low	38.7	Very low	171 Å²	171	115.2 Å²	115.2	91%	0.914	64%	0.642	S	S	*	*			trans	-57.4	87.3	142.1	-100.9	-25.2	0	0	0	108.1	Q11	N9-Q11 PolarHBondContact O-N 3.42Å; N9-Q11 VanDerWaalsContact O-N 3.08Å
10	I	29.6	Very low	40.2	Very low	138 Å²	138	111.5 Å²	111.5	71%	0.708	62%	0.618	S	S	*	*			trans	-55.7	113.6	169.1	-64.9	166	0	0	0	105.8	C8	C8-I10 HydrophobicContact CB-CG1 4.33Å; C8-I10 PolarHBondContact O-N 3.16Å
11	Q	32.1	Very low	41.9	Very low	137 Å²	137	107.3 Å²	107.3	64%	0.64	60%	0.597	S	S	*	*			trans	-49.5	137.9	175.7	-70.7	-168.8	-38.5	0	0	109.5	N9 K13	N9-Q11 PolarHBondContact O-N 3.42Å; N9-Q11 VanDerWaalsContact O-N 3.08Å; Q11-K13 PolarHBondContact O-N 2.76Å
12	P	35.7	Very low	44	Very low	95 Å²	95	98 Å²	98	62%	0.617	55%	0.553	S	S	*	*			trans	-62.4	111.1	-177.5	24.5	-31.8	0	0	0	108.6	I14	P12-I14 PolarHBondContact O-N 3.48Å
13	K	41.8	Very low	45.9	Very low	179 Å²	179	93.6 Å²	93.6	78%	0.778	53%	0.525	S	S	*	.			trans	-43.7	114.1	171.9	-71.4	179.5	177.8	179.2	0	108.5	Q11 T15	Q11-K13 PolarHBondContact O-N 2.76Å; K13-T15 PolarHBondContact O-N 3Å; K13-T15 VanDerWaalsContact O-N 3.17Å
14	I	43.3	Very low	47.9	Very low	67 Å²	67	96.3 Å²	96.3	34%	0.344	52%	0.52	S	S	.	.			trans	-72.8	108.9	172.9	-64.1	167.8	0	0	0	105.9	P12 K18 Y19 Y137	P12-I14 PolarHBondContact O-N 3.48Å; I14-K18 HydrophobicContact CG2-CB 4.44Å; I14-K18 HydrophobicContact CG2-CD 4.12Å; I14-Y19 HydrophobicContact CG2-CE2 4.18Å; I14-Y137 HydrophobicContact CD1-CE1 4.24Å; I14-Y137 WeakPolarHBondContact CD1-OH 3.46Å; I14-Y137 HydrophobicContact CG2-CE1 4.11Å
15	T	50.5	Low	49.4	Very low	73 Å²	73	98 Å²	98	45%	0.448	52%	0.524	S	S	.	.			trans	-68.8	134.4	172.7	51.2	0	0	0	0	108.9	K13 S17 K18	K13-T15 PolarHBondContact O-N 3Å; K13-T15 VanDerWaalsContact O-N 3.17Å; T15-S17 PolarHBondContact O-N 3.46Å; T15-S17 VanDerWaalsContact O-N 3.09Å; T15-S17 PolarHBondContact OG1-OG 3.25Å; T15-K18 VanDerWaalsContact O-CB 3.31Å; T15-K18 WeakPolarHBondContact O-CB 3.5Å; T15-K18 WeakPolarHBondContact O-CG 3.49Å; T15-K18 PolarHBondContact O-N 3.25Å; T15-K18 WeakPolarHBondContact OG1-CE 3.28Å
16	W	53.8	Low	50.6	Low	93 Å²	93	94.4 Å²	94.4	35%	0.352	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.5	-176.5	-49.2	-30	0	0	0	113.3	K18 Y19 L107 L124 L131	W16-K18 PolarHBondContact O-N 3.38Å; W16-Y19 PolarHBondContact O-N 3.29Å; W16-L107 HydrophobicContact CE3-CD2 4.48Å; W16-L107 HydrophobicContact CZ3-CD2 4.26Å; W16-L124 HydrophobicContact CE3-CD1 4.37Å; W16-L124 HydrophobicContact CH2-CD1 2.99Å; W16-L124 HydrophobicContact CH2-CD2 3.48Å; W16-L124 VanDerWaalsContact CH2-CD2 3.48Å; W16-L124 HydrophobicContact CH2-CG 3.57Å; W16-L124 HydrophobicContact CZ2-CD1 3.65Å; W16-L124 HydrophobicContact CZ2-CD2 3.91Å; W16-L124 HydrophobicContact CZ2-CG 3.89Å; W16-L124 HydrophobicContact CZ3-CD1 3.38Å; W16-L124 HydrophobicContact CZ3-CG 4.41Å; W16-L131 HydrophobicContact CB-CD1 4.43Å; W16-L131 HydrophobicContact CG-CD1 4.5Å
17	S	52.4	Low	51.3	Low	84 Å²	84	96.2 Å²	96.2	59%	0.587	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-52.8	-18.1	170.2	55.9	0	0	0	0	114.2	T15 Y20	T15-S17 PolarHBondContact O-N 3.46Å; T15-S17 VanDerWaalsContact O-N 3.09Å; T15-S17 PolarHBondContact OG1-OG 3.25Å; S17-Y20 VanDerWaalsContact O-O 3.13Å
18	K	61.2	Low	51.8	Low	51 Å²	51	96.5 Å²	96.5	22%	0.222	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-80.7	-15.9	176.6	-65.5	173.9	179.2	176.8	0	114.3	I14 T15 W16 Y20 L138	I14-K18 HydrophobicContact CG2-CB 4.44Å; I14-K18 HydrophobicContact CG2-CD 4.12Å; T15-K18 VanDerWaalsContact O-CB 3.31Å; T15-K18 WeakPolarHBondContact O-CB 3.5Å; T15-K18 WeakPolarHBondContact O-CG 3.49Å; T15-K18 PolarHBondContact O-N 3.25Å; T15-K18 WeakPolarHBondContact OG1-CE 3.28Å; W16-K18 PolarHBondContact O-N 3.38Å; K18-Y20 VanDerWaalsContact C-N 3.32Å; K18-L138 PolarHBondContact O-N 3.28Å
19	Y	62.3	Low	52.4	Low	15 Å²	15	94.1 Å²	94.1	6%	0.059	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-28.7	171.8	-72.5	-87.9	0	0	0	111	I14 W16 L131 H135 Y137 L138 D139	I14-Y19 HydrophobicContact CG2-CE2 4.18Å; W16-Y19 PolarHBondContact O-N 3.29Å; Y19-L131 HydrophobicContact CD1-CB 4.38Å; Y19-L131 HydrophobicContact CD2-CB 4.46Å; Y19-L131 HydrophobicContact CE1-CB 4.27Å; Y19-L131 WeakPolarHBondContact CE1-O 3.36Å; Y19-L131 HydrophobicContact CE2-CB 4.38Å; Y19-L131 HydrophobicContact CG-CB 4.47Å; Y19-H135 HydrophobicContact CD1-CB 4.31Å; Y19-Y137 HydrophobicContact CE1-CE1 4.5Å; Y19-L138 CarbonylContact O-C 3.59Å; Y19-L138 WeakPolarHBondContact O-CA 3.35Å; Y19-L138 PolarHBondContact O-N 3.47Å; Y19-D139 PolarHBondContact O-N 3.04Å
20	Y	69.1	Low	53.3	Low	41 Å²	41	89.5 Å²	89.5	16%	0.161	46%	0.463	C	S	.	.			trans	-97.6	142.8	-176.4	-45.8	-55.2	0	0	0	111.9	S17 K18 P115 I116 L131 S153 F154	S17-Y20 VanDerWaalsContact O-O 3.13Å; K18-Y20 VanDerWaalsContact C-N 3.32Å; Y20-P115 HydrophobicContact CE1-CB 4.4Å; Y20-P115 HydrophobicContact CE1-CG 4.06Å; Y20-P115 HydrophobicContact CE2-CG 4.28Å; Y20-P115 VanDerWaalsContact CZ-CD 3.48Å; Y20-P115 WeakPolarHBondContact OH-CD 3.46Å; Y20-I116 HydrophobicContact CD1-CD1 3.7Å; Y20-I116 HydrophobicContact CD1-CG1 3.74Å; Y20-I116 HydrophobicContact CE1-CD1 3.63Å; Y20-I116 HydrophobicContact CE1-CG1 3.74Å; Y20-L131 HydrophobicContact CE1-CD2 4.28Å; Y20-L131 WeakPolarHBondContact OH-CD2 3.18Å; Y20-S153 VanDerWaalsContact CA-OG 3.25Å; Y20-S153 WeakPolarHBondContact CA-OG 3.33Å; Y20-F154 HydrophobicContact CG-CZ 4.15Å
21	C	76.3	Confident	54.1	Low	25 Å²	25	88.8 Å²	88.8	17%	0.169	47%	0.467	C	S	.	.			trans	-151.4	133.2	-180	-171.3	0	0	0	0	110.2	L138 S152 S153	C21-L138 HydrophobicContact CB-CB 3.83Å; C21-L138 HydrophobicContact CB-CD2 3.77Å; C21-L138 HydrophobicContact CB-CG 4.39Å; C21-S152 CarbonylContact O-C 3.51Å; C21-S152 WeakPolarHBondContact O-CA 3.49Å; C21-S153 PolarHBondContact N-OG 3.07Å; C21-S153 PolarHBondContact O-N 2.88Å; C21-S153 PolarHBondContact O-OG 3.42Å
22	T	74.9	Confident	55.5	Low	46 Å²	46	87.3 Å²	87.3	28%	0.282	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123	169.3	-55.3	0	0	0	0	108.3	K24 F150 R151 S152 E157	T22-K24 HydrophobicContact CG2-CG 4.09Å; T22-F150 HydrophobicContact CG2-CE2 4.24Å; T22-F150 HydrophobicContact CG2-CZ 4.19Å; T22-R151 CarbonylContact C-O 3.37Å; T22-R151 WeakPolarHBondContact CA-O 3.33Å; T22-S152 PolarHBondContact OG1-OG 3.24Å; T22-E157 WeakPolarHBondContact CB-OE2 3.45Å; T22-E157 WeakPolarHBondContact CG2-OE2 3.37Å; T22-E157 PolarHBondContact OG1-OE2 3.19Å
23	L	73.5	Confident	57.1	Low	46 Å²	46	90.1 Å²	90.1	24%	0.241	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.3	177.7	-59.4	172.6	0	0	0	108.1	I26 F150 R151 M299 L301	L23-I26 HydrophobicContact CB-CD1 3.67Å; L23-I26 HydrophobicContact CB-CG1 4.15Å; L23-F150 WeakPolarHBondContact O-CA 3.32Å; L23-R151 HydrophobicContact CB-CB 4.45Å; L23-R151 PolarHBondContact N-O 3.25Å; L23-R151 PolarHBondContact O-N 3.13Å; L23-R151 VanDerWaalsContact O-N 3.09Å; L23-M299 HydrophobicContact CD1-CE 3.59Å; L23-M299 HydrophobicContact CD1-SD 3.95Å; L23-L301 HydrophobicContact CD1-CD2 3.45Å; L23-L301 VanDerWaalsContact CD1-CD2 3.45Å
24	K	74	Confident	59	Low	142 Å²	142	83 Å²	83	62%	0.617	44%	0.44	S	S	*	.			trans	-111	148	177.1	-59.7	-175.5	179.9	-179.4	0	108.8	T22 I26 F150	T22-K24 HydrophobicContact CG2-CG 4.09Å; K24-I26 PolarHBondContact O-N 3.31Å; K24-F150 HydrophobicContact CG-CD2 4.18Å; K24-F150 HydrophobicContact CG-CE2 3.93Å
25	E	61.5	Low	61.2	Low	189 Å²	189	82.2 Å²	82.2	88%	0.883	44%	0.436	S	S	*	.			trans	58.2	44.5	170.4	-60.1	177.8	-177.6	0	0	114.8	Q27	E25-Q27 PolarHBondContact O-N 2.83Å
26	I	55.2	Low	63.2	Low	32 Å²	32	83.9 Å²	83.9	16%	0.164	44%	0.439	C	S	.	.			trans	-73.4	97.6	173.6	-56.7	147.8	0	0	0	107	L23 K24 G149 M299	L23-I26 HydrophobicContact CB-CD1 3.67Å; L23-I26 HydrophobicContact CB-CG1 4.15Å; K24-I26 PolarHBondContact O-N 3.31Å; I26-G149 WeakPolarHBondContact CD1-O 3.33Å; I26-G149 PolarHBondContact N-O 2.6Å; I26-M299 HydrophobicContact CB-SD 3.86Å; I26-M299 HydrophobicContact CD1-CE 3.41Å; I26-M299 VanDerWaalsContact CD1-CE 3.41Å; I26-M299 HydrophobicContact CD1-CG 4.45Å; I26-M299 HydrophobicContact CD1-SD 3.06Å; I26-M299 WeakPolarHBondContact CD1-SD 3.36Å; I26-M299 HydrophobicContact CG1-CE 4.29Å; I26-M299 HydrophobicContact CG1-CG 4.49Å; I26-M299 HydrophobicContact CG1-SD 3.27Å; I26-M299 WeakPolarHBondContact CG1-SD 3.28Å; I26-M299 HydrophobicContact CG2-CB 3.93Å; I26-M299 HydrophobicContact CG2-CG 3.38Å; I26-M299 HydrophobicContact CG2-SD 3.31Å; I26-M299 WeakPolarHBondContact CG2-SD 3.1Å
27	Q	45.4	Very low	65	Low	154 Å²	154	79.6 Å²	79.6	72%	0.72	42%	0.424	S	S	*	.	S	Bend	trans	35.2	112.1	173.4	-69	-176.1	-5.2	0	0	115.3	E25 V29	E25-Q27 PolarHBondContact O-N 2.83Å; Q27-V29 VanDerWaalsContact C-N 3.32Å; Q27-V29 PolarHBondContact O-N 2.81Å
28	T	38.4	Very low	67	Low	147 Å²	147	80.7 Å²	80.7	90%	0.902	42%	0.416	S	S	*	.			trans	-31.6	89.7	173.4	53.9	0	0	0	0	112.3	S30	T28-S30 PolarHBondContact O-N 2.97Å; T28-S30 VanDerWaalsContact O-N 3.13Å
29	V	43.6	Very low	68.5	Low	52 Å²	52	78.3 Å²	78.3	32%	0.315	41%	0.405	S	S	.	.			trans	-59.6	125.5	171.1	179.8	0	0	0	0	103.7	Q27 P31 F32 C147	Q27-V29 VanDerWaalsContact C-N 3.32Å; Q27-V29 PolarHBondContact O-N 2.81Å; V29-P31 VanDerWaalsContact O-N 3.17Å; V29-F32 HydrophobicContact CG1-CD2 4.16Å; V29-F32 HydrophobicContact CG1-CE2 3.64Å; V29-C147 WeakPolarHBondContact CG2-O 3.28Å
30	S	45.4	Very low	69.9	Low	73 Å²	73	79.8 Å²	79.8	51%	0.51	41%	0.413	S	S	.	.			trans	-32.3	123.8	178.5	45.8	0	0	0	0	109.3	T28 F32	T28-S30 PolarHBondContact O-N 2.97Å; T28-S30 VanDerWaalsContact O-N 3.13Å; S30-F32 PolarHBondContact O-N 3.28Å
31	P	46.7	Very low	70.9	Confident	124 Å²	124	77.9 Å²	77.9	81%	0.805	41%	0.405	S	S	*	.			trans	-51.4	109.4	-165.7	19.1	-31.6	0	0	0	108.8	V29 I33	V29-P31 VanDerWaalsContact O-N 3.17Å; P31-I33 PolarHBondContact O-N 3.38Å
32	F	59.9	Low	71.4	Confident	106 Å²	106	78.9 Å²	78.9	47%	0.465	41%	0.411	S	S	.	.			trans	-56.1	125.8	168.7	-85.7	-88.5	0	0	0	105.9	V29 S30 S34	V29-F32 HydrophobicContact CG1-CD2 4.16Å; V29-F32 HydrophobicContact CG1-CE2 3.64Å; S30-F32 PolarHBondContact O-N 3.28Å; F32-S34 PolarHBondContact O-N 3.3Å
33	I	68.9	Low	71.7	Confident	153 Å²	153	79.1 Å²	79.1	79%	0.785	42%	0.415	S	S	*	.			trans	-69	87.6	174.6	-57.7	172.5	0	0	0	106.3	P31	P31-I33 PolarHBondContact O-N 3.38Å
34	S	82.6	Confident	72.2	Confident	31 Å²	31	78.6 Å²	78.6	22%	0.217	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-84.3	123.4	175	-64.4	0	0	0	0	108.1	F32 H171	F32-S34 PolarHBondContact O-N 3.3Å; S34-H171 PolarHBondContact OG-CD2 3.48Å
35	L	90.4	Very high	72.7	Confident	49 Å²	49	73.3 Å²	73.3	26%	0.257	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-80.9	136.4	172.3	-63.9	176.2	0	0	0	108.8	T169 N170 I185 F196	L35-T169 CarbonylContact O-C 3.56Å; L35-T169 WeakPolarHBondContact O-CA 3.17Å; L35-N170 HydrophobicContact CB-CB 4.25Å; L35-N170 PolarHBondContact N-OD1 3.44Å; L35-N170 PolarHBondContact O-N 3.34Å; L35-I185 HydrophobicContact CD1-CD1 3.53Å; L35-I185 HydrophobicContact CD1-CG1 3.84Å; L35-F196 HydrophobicContact CB-CE1 3.85Å; L35-F196 HydrophobicContact CB-CZ 3.75Å; L35-F196 HydrophobicContact CD1-CE1 4.43Å; L35-F196 WeakPolarHBondContact O-CZ 3.27Å
36	H	91.1	Very high	73.8	Confident	109 Å²	109	67.8 Å²	67.8	51%	0.505	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-90.7	137.2	178.4	-67.3	75	0	0	0	110.2	T168 H194	H36-T168 VanDerWaalsContact CA-O 3.29Å; H36-T168 WeakPolarHBondContact CA-O 3.17Å; H36-H194 PolarHBondContact O-N 3.33Å; H36-H194 VanDerWaalsContact O-N 3.11Å
37	G	92.2	Very high	75.4	Confident	3 Å²	3	70.7 Å²	70.7	3%	0.031	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-175.7	-174.5	0	0	0	0	0	115.7	T168 H194 F196	G37-T168 PolarHBondContact N-O 3.46Å; G37-H194 CarbonylContact C-O 3.48Å; G37-H194 WeakPolarHBondContact CA-O 3.12Å; G37-F196 VanDerWaalsContact CA-CE2 3.42Å
38	Y	94.5	Very high	77.5	Confident	107 Å²	107	64.8 Å²	64.8	42%	0.42	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.5	177.3	-63.4	-77.2	0	0	0	110.6	L48 L193 H194 T195 F196	Y38-L48 CarbonylContact C-O 3.36Å; Y38-L193 HydrophobicContact CD2-CD1 4.32Å; Y38-L193 HydrophobicContact CD2-CD2 4.17Å; Y38-L193 HydrophobicContact CD2-CG 4.49Å; Y38-L193 HydrophobicContact CE2-CD1 4.16Å; Y38-L193 HydrophobicContact CE2-CD2 3.91Å; Y38-H194 PolarHBondContact N-O 3.11Å; Y38-T195 CarbonylContact O-C 3.46Å; Y38-T195 WeakPolarHBondContact O-CA 3.35Å; Y38-F196 PolarHBondContact O-N 2.97Å
39	V	93.3	Very high	80	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.9	175.6	-174.8	0	0	0	0	109.3	H47 L48 N50 F53 L183 F196 A198	V39-H47 WeakPolarHBondContact O-CA 3.48Å; V39-L48 PolarHBondContact N-O 3.16Å; V39-L48 PolarHBondContact O-N 2.82Å; V39-N50 HydrophobicContact CG2-CB 4.04Å; V39-F53 HydrophobicContact CB-CB 4.05Å; V39-F53 HydrophobicContact CB-CD1 4.28Å; V39-F53 HydrophobicContact CB-CD2 4.25Å; V39-F53 HydrophobicContact CB-CG 3.9Å; V39-F53 HydrophobicContact CG1-CB 4.29Å; V39-F53 HydrophobicContact CG1-CD1 3.65Å; V39-F53 HydrophobicContact CG1-CD2 3.79Å; V39-F53 HydrophobicContact CG1-CE1 3.86Å; V39-F53 HydrophobicContact CG1-CE2 4.03Å; V39-F53 HydrophobicContact CG1-CG 3.6Å; V39-F53 HydrophobicContact CG1-CZ 4.06Å; V39-F53 HydrophobicContact CG2-CB 4.46Å; V39-L183 HydrophobicContact CB-CD1 4.37Å; V39-L183 HydrophobicContact CG1-CD1 3.88Å; V39-L183 HydrophobicContact CG2-CD1 3.57Å; V39-F196 HydrophobicContact CG2-CD2 4.45Å; V39-A198 HydrophobicContact CG1-CB 3.4Å
40	H	91.6	Very high	82.3	Confident	47 Å²	47	56.5 Å²	56.5	22%	0.218	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	121.2	173.3	171.5	-87.2	0	0	0	110.2	P42 H47 L186 T195 F196	H40-P42 WeakPolarHBondContact O-CD 3.04Å; H40-H47 AromaticContact CD2-CE1 3.86Å; H40-H47 AromaticContact CD2-NE2 3.83Å; H40-L186 HydrophobicContact CB-CD2 3.98Å; H40-T195 HydrophobicContact CB-CG2 3.66Å; H40-F196 PolarHBondContact N-O 3.4Å
41	C	88.9	Confident	84.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-75.6	118.2	177.1	-179.7	0	0	0	0	111.1	S43 C44 G45 N46 F53 H56	C41-S43 PolarHBondContact O-N 2.83Å; C41-S43 VanDerWaalsContact O-N 3.17Å; C41-S43 PolarHBondContact SG-N 3.46Å; C41-C44 VanDerWaalsContact SG-SG 3.65Å; C41-G45 WeakPolarHBondContact O-CA 3.42Å; C41-G45 PolarHBondContact O-N 3.18Å; C41-N46 WeakPolarHBondContact CB-O 3.45Å; C41-N46 PolarHBondContact N-O 3Å; C41-F53 HydrophobicContact CB-CD2 4.34Å; C41-F53 HydrophobicContact CB-CE2 3.94Å; C41-H56 PolarHBondContact SG-NE2 3.32Å
42	P	87.9	Confident	86.3	Confident	47 Å²	47	52.9 Å²	52.9	31%	0.305	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.4	-179.9	29.8	-36	0	0	0	113.5	H40 Y202	H40-P42 WeakPolarHBondContact O-CD 3.04Å; P42-Y202 HydrophobicContact CG-CD1 3.84Å; P42-Y202 HydrophobicContact CG-CG 3.89Å
43	S	81.6	Confident	87.7	Confident	50 Å²	50	47.8 Å²	47.8	35%	0.35	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-37.2	-178.2	-168.2	0	0	0	0	113.7	C41 H60	C41-S43 PolarHBondContact O-N 2.83Å; C41-S43 VanDerWaalsContact O-N 3.17Å; C41-S43 PolarHBondContact SG-N 3.46Å; S43-H60 PolarHBondContact OG-ND1 2.87Å
44	C	83	Confident	88.5	Confident	36 Å²	36	40.9 Å²	40.9	24%	0.243	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-6.8	-175.4	66.9	0	0	0	0	114.9	C41 N46 H56 H60	C41-C44 VanDerWaalsContact SG-SG 3.65Å; C44-N46 VanDerWaalsContact C-N 3.31Å; C44-N46 PolarHBondContact O-N 2.99Å; C44-N46 VanDerWaalsContact SG-CG 3.59Å; C44-H56 PolarHBondContact SG-CE1 3.08Å; C44-H56 PolarHBondContact SG-NE2 2.89Å; C44-H60 PolarHBondContact SG-NE2 2.95Å
45	G	85.3	Confident	88.5	Confident	31 Å²	31	46.2 Å²	46.2	32%	0.32	24%	0.238	S	C	.	.			trans	79	3.5	-179	0	0	0	0	0	115.5	C41 H47	C41-G45 WeakPolarHBondContact O-CA 3.42Å; C41-G45 PolarHBondContact O-N 3.18Å; G45-H47 PolarHBondContact O-CD2 2.8Å; G45-H47 VanDerWaalsContact O-CD2 3.32Å
46	N	84.3	Confident	88	Confident	72 Å²	72	45.8 Å²	45.8	39%	0.385	24%	0.235	S	C	.	.			trans	-67.8	145	176.3	-72.6	-17.5	0	0	0	111.8	C41 C44 L48	C41-N46 WeakPolarHBondContact CB-O 3.45Å; C41-N46 PolarHBondContact N-O 3Å; C44-N46 VanDerWaalsContact C-N 3.31Å; C44-N46 PolarHBondContact O-N 2.99Å; C44-N46 VanDerWaalsContact SG-CG 3.59Å; N46-L48 HydrophobicContact CB-CD1 4.14Å; N46-L48 HydrophobicContact CB-CG 4.41Å
47	H	89.1	Confident	87.5	Confident	94 Å²	94	40.6 Å²	40.6	44%	0.435	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.8	173.9	-62	-108.4	0	0	0	108.9	V39 H40 G45 T195	V39-H47 WeakPolarHBondContact O-CA 3.48Å; H40-H47 AromaticContact CD2-CE1 3.86Å; H40-H47 AromaticContact CD2-NE2 3.83Å; G45-H47 PolarHBondContact O-CD2 2.8Å; G45-H47 VanDerWaalsContact O-CD2 3.32Å; H47-T195 WeakPolarHBondContact ND1-CG2 3.06Å
48	L	89	Confident	86.8	Confident	29 Å²	29	41.3 Å²	41.3	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.6	-172.1	-67	151.2	0	0	0	109.3	Y38 V39 N46 Q52 F53 H56	Y38-L48 CarbonylContact C-O 3.36Å; V39-L48 PolarHBondContact N-O 3.16Å; V39-L48 PolarHBondContact O-N 2.82Å; N46-L48 HydrophobicContact CB-CD1 4.14Å; N46-L48 HydrophobicContact CB-CG 4.41Å; L48-Q52 HydrophobicContact CB-CB 4.15Å; L48-Q52 HydrophobicContact CD2-CB 4.06Å; L48-F53 HydrophobicContact CB-CB 4.13Å; L48-H56 HydrophobicContact CD1-CB 3.65Å; L48-H56 WeakPolarHBondContact CD1-CD2 3.33Å
49	D	90.5	Very high	85.9	Confident	26 Å²	26	38.4 Å²	38.4	14%	0.139	21%	0.212	C	C	.	.			trans	-62.9	160.4	166.5	68.8	58.5	0	0	0	110.2	V51 Q52 F53 T168	D49-V51 PolarHBondContact O-N 2.61Å; D49-V51 WeakPolarHBondContact OD1-CA 3.37Å; D49-V51 WeakPolarHBondContact OD1-CB 3.13Å; D49-V51 PolarHBondContact OD1-N 2.96Å; D49-Q52 PolarHBondContact O-N 3.25Å; D49-Q52 WeakPolarHBondContact OD1-CG 3.29Å; D49-Q52 PolarHBondContact OD1-N 3.08Å; D49-Q52 VanDerWaalsContact OD2-CG 3.29Å; D49-Q52 WeakPolarHBondContact OD2-CG 3.35Å; D49-Q52 PolarHBondContact OD2-NE2 2.83Å; D49-F53 WeakPolarHBondContact O-CB 3.43Å; D49-F53 PolarHBondContact O-N 3.09Å; D49-T168 HydrophobicContact CB-CG2 3.82Å
50	N	91.4	Very high	84.9	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-29.9	-176.1	61.7	-11.2	0	0	0	114	V39 L54 F162 H166 H167 T168 T169 H171	V39-N50 HydrophobicContact CG2-CB 4.04Å; N50-L54 PolarHBondContact O-N 2.81Å; N50-L54 VanDerWaalsContact O-N 3.15Å; N50-F162 HydrophobicContact CB-CZ 4.2Å; N50-H166 PolarHBondContact ND2-O 3.4Å; N50-H167 WeakPolarHBondContact OD1-CA 3.38Å; N50-T168 PolarHBondContact OD1-N 3.19Å; N50-T169 PolarHBondContact ND2-O 3.49Å; N50-T169 PolarHBondContact ND2-OG1 3.25Å; N50-H171 PolarHBondContact ND2-O 3.18Å
51	V	89.4	Confident	83.9	Confident	15 Å²	15	38 Å²	38	9%	0.091	21%	0.21	C	C	.	.	H	α-helix	trans	-72.8	-46.5	177.4	-177.7	0	0	0	0	111	D49 F53 L54 F162 R163 H167	D49-V51 PolarHBondContact O-N 2.61Å; D49-V51 WeakPolarHBondContact OD1-CA 3.37Å; D49-V51 WeakPolarHBondContact OD1-CB 3.13Å; D49-V51 PolarHBondContact OD1-N 2.96Å; V51-F53 VanDerWaalsContact C-N 3.35Å; V51-L54 WeakPolarHBondContact O-CB 3.41Å; V51-L54 PolarHBondContact O-N 3.17Å; V51-F162 HydrophobicContact CB-CE1 4.35Å; V51-F162 HydrophobicContact CG2-CD1 4.06Å; V51-F162 HydrophobicContact CG2-CE1 3.77Å; V51-F162 HydrophobicContact CG2-CZ 4.43Å; V51-R163 HydrophobicContact CG1-CG 4.17Å; V51-R163 HydrophobicContact CG2-CB 4.45Å; V51-R163 HydrophobicContact CG2-CG 4.35Å; V51-H167 HydrophobicContact CG2-CB 4.13Å
52	Q	88.2	Confident	82.8	Confident	105 Å²	105	40.2 Å²	40.2	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-66.6	-39.9	175.9	-68.8	179.6	15.6	0	0	111	L48 D49 L54 K55 H56	L48-Q52 HydrophobicContact CB-CB 4.15Å; L48-Q52 HydrophobicContact CD2-CB 4.06Å; D49-Q52 PolarHBondContact O-N 3.25Å; D49-Q52 WeakPolarHBondContact OD1-CG 3.29Å; D49-Q52 PolarHBondContact OD1-N 3.08Å; D49-Q52 VanDerWaalsContact OD2-CG 3.29Å; D49-Q52 WeakPolarHBondContact OD2-CG 3.35Å; D49-Q52 PolarHBondContact OD2-NE2 2.83Å; Q52-L54 VanDerWaalsContact C-N 3.29Å; Q52-L54 PolarHBondContact O-N 3.17Å; Q52-K55 PolarHBondContact O-N 2.82Å; Q52-H56 WeakPolarHBondContact O-CB 3.35Å; Q52-H56 PolarHBondContact O-N 3.14Å
53	F	87.5	Confident	81.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-41.3	176.6	177.7	-105	0	0	0	111.7	V39 C41 L48 D49 V51 K55 H56 I57 I172 A198 F201	V39-F53 HydrophobicContact CB-CB 4.05Å; V39-F53 HydrophobicContact CB-CD1 4.28Å; V39-F53 HydrophobicContact CB-CD2 4.25Å; V39-F53 HydrophobicContact CB-CG 3.9Å; V39-F53 HydrophobicContact CG1-CB 4.29Å; V39-F53 HydrophobicContact CG1-CD1 3.65Å; V39-F53 HydrophobicContact CG1-CD2 3.79Å; V39-F53 HydrophobicContact CG1-CE1 3.86Å; V39-F53 HydrophobicContact CG1-CE2 4.03Å; V39-F53 HydrophobicContact CG1-CG 3.6Å; V39-F53 HydrophobicContact CG1-CZ 4.06Å; V39-F53 HydrophobicContact CG2-CB 4.46Å; C41-F53 HydrophobicContact CB-CD2 4.34Å; C41-F53 HydrophobicContact CB-CE2 3.94Å; L48-F53 HydrophobicContact CB-CB 4.13Å; D49-F53 WeakPolarHBondContact O-CB 3.43Å; D49-F53 PolarHBondContact O-N 3.09Å; V51-F53 VanDerWaalsContact C-N 3.35Å; F53-K55 PolarHBondContact O-N 3.5Å; F53-H56 PolarHBondContact O-N 3.43Å; F53-I57 HydrophobicContact CE1-CB 4.43Å; F53-I57 HydrophobicContact CE2-CB 4.28Å; F53-I57 HydrophobicContact CE2-CD1 4.12Å; F53-I57 HydrophobicContact CE2-CG1 4.45Å; F53-I57 HydrophobicContact CZ-CB 4.09Å; F53-I57 HydrophobicContact CZ-CD1 4.01Å; F53-I57 HydrophobicContact CZ-CG1 4.03Å; F53-I57 WeakPolarHBondContact O-CB 3.44Å; F53-I57 WeakPolarHBondContact O-CG2 3.44Å; F53-I57 PolarHBondContact O-N 3.07Å; F53-I172 HydrophobicContact CD1-CD1 3.77Å; F53-I172 HydrophobicContact CE1-CD1 4.31Å; F53-A198 HydrophobicContact CD1-CB 4.47Å; F53-A198 HydrophobicContact CE1-CB 3.53Å; F53-A198 HydrophobicContact CE2-CB 4.17Å; F53-A198 HydrophobicContact CZ-CB 3.35Å; F53-F201 AromaticContact CE1-CD1 3.63Å; F53-F201 HydrophobicContact CE1-CD1 3.63Å; F53-F201 AromaticContact CE1-CE1 3.82Å; F53-F201 HydrophobicContact CE1-CE1 3.82Å; F53-F201 HydrophobicContact CZ-CD1 4.31Å
54	L	87.3	Confident	80	Confident	7 Å²	7	39.9 Å²	39.9	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-43.7	176.5	-171.9	69.3	0	0	0	112.5	N50 V51 Q52 I57 L58 M159 F162 I172 P175 F201	N50-L54 PolarHBondContact O-N 2.81Å; N50-L54 VanDerWaalsContact O-N 3.15Å; V51-L54 WeakPolarHBondContact O-CB 3.41Å; V51-L54 PolarHBondContact O-N 3.17Å; Q52-L54 VanDerWaalsContact C-N 3.29Å; Q52-L54 PolarHBondContact O-N 3.17Å; L54-I57 WeakPolarHBondContact O-CG2 3.42Å; L54-L58 WeakPolarHBondContact O-CD1 3.32Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-M159 HydrophobicContact CD2-CE 3.45Å; L54-M159 VanDerWaalsContact CD2-CE 3.45Å; L54-F162 HydrophobicContact CD2-CE1 4.45Å; L54-I172 HydrophobicContact CB-CD1 4.38Å; L54-I172 HydrophobicContact CD1-CD1 4.21Å; L54-P175 HydrophobicContact CD1-CB 4.19Å; L54-P175 HydrophobicContact CD1-CG 3.74Å; L54-P175 HydrophobicContact CD2-CB 4.47Å; L54-P175 HydrophobicContact CG-CG 4.46Å; L54-F201 HydrophobicContact CD1-CZ 3.85Å
55	K	81.6	Confident	78.2	Confident	144 Å²	144	40.9 Å²	40.9	63%	0.626	22%	0.216	S	C	*	.	H	α-helix	trans	-70	-40.1	175.4	-65.1	-176	178.7	-174.5	0	111.6	Q52 F53 A59	Q52-K55 PolarHBondContact O-N 2.82Å; F53-K55 PolarHBondContact O-N 3.5Å; K55-A59 PolarHBondContact O-N 3.04Å
56	H	80.5	Confident	76.3	Confident	39 Å²	39	44.1 Å²	44.1	18%	0.181	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-42.7	-177.7	172.1	73.3	0	0	0	112.9	C41 C44 L48 Q52 F53 L58 A59 H60	C41-H56 PolarHBondContact SG-NE2 3.32Å; C44-H56 PolarHBondContact SG-CE1 3.08Å; C44-H56 PolarHBondContact SG-NE2 2.89Å; L48-H56 HydrophobicContact CD1-CB 3.65Å; L48-H56 WeakPolarHBondContact CD1-CD2 3.33Å; Q52-H56 WeakPolarHBondContact O-CB 3.35Å; Q52-H56 PolarHBondContact O-N 3.14Å; F53-H56 PolarHBondContact O-N 3.43Å; H56-L58 PolarHBondContact O-N 3.05Å; H56-A59 WeakPolarHBondContact O-CB 3.31Å; H56-A59 PolarHBondContact O-N 3.06Å; H56-H60 AromaticContact CD2-CD2 3.93Å; H56-H60 AromaticContact CE1-CD2 3.71Å; H56-H60 AromaticContact CE1-NE2 3.28Å; H56-H60 PolarHBondContact CE1-NE2 3.43Å; H56-H60 VanDerWaalsContact CE1-NE2 3.28Å; H56-H60 AromaticContact NE2-CD2 3.4Å; H56-H60 PolarHBondContact NE2-CD2 3.28Å; H56-H60 AromaticContact NE2-NE2 3.15Å; H56-H60 PolarHBondContact NE2-NE2 3.46Å; H56-H60 VanDerWaalsContact NE2-NE2 3.15Å; H56-H60 PolarHBondContact O-N 2.87Å
57	I	80.8	Confident	74.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.9	-32.4	-177.4	-159.6	61	0	0	0	112.4	F53 L54 A59 H60 L61 F201 Y202	F53-I57 HydrophobicContact CE1-CB 4.43Å; F53-I57 HydrophobicContact CE2-CB 4.28Å; F53-I57 HydrophobicContact CE2-CD1 4.12Å; F53-I57 HydrophobicContact CE2-CG1 4.45Å; F53-I57 HydrophobicContact CZ-CB 4.09Å; F53-I57 HydrophobicContact CZ-CD1 4.01Å; F53-I57 HydrophobicContact CZ-CG1 4.03Å; F53-I57 WeakPolarHBondContact O-CB 3.44Å; F53-I57 WeakPolarHBondContact O-CG2 3.44Å; F53-I57 PolarHBondContact O-N 3.07Å; L54-I57 WeakPolarHBondContact O-CG2 3.42Å; I57-A59 VanDerWaalsContact C-N 3.28Å; I57-A59 PolarHBondContact O-N 2.88Å; I57-H60 WeakPolarHBondContact O-CB 3.39Å; I57-H60 PolarHBondContact O-N 3.38Å; I57-H60 VanDerWaalsContact O-N 3.16Å; I57-L61 PolarHBondContact O-N 3.08Å; I57-F201 HydrophobicContact CG2-CE1 4.01Å; I57-Y202 HydrophobicContact CD1-CD2 3.31Å; I57-Y202 HydrophobicContact CD1-CE2 3.66Å; I57-Y202 HydrophobicContact CD1-CG 4.14Å; I57-Y202 HydrophobicContact CG1-CD2 3.59Å; I57-Y202 HydrophobicContact CG1-CE2 4.14Å
58	L	78.2	Confident	71.8	Confident	19 Å²	19	50.1 Å²	50.1	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-36.4	172.7	-67.5	169.5	0	0	0	111.2	L54 H56 H60 L61 L62 L81 P175 Y176 V205	L54-L58 WeakPolarHBondContact O-CD1 3.32Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; H56-L58 PolarHBondContact O-N 3.05Å; L58-H60 VanDerWaalsContact C-N 3.32Å; L58-H60 PolarHBondContact O-N 3.17Å; L58-L61 PolarHBondContact O-N 3.02Å; L58-L62 WeakPolarHBondContact O-CG 3.24Å; L58-L62 PolarHBondContact O-N 2.87Å; L58-L81 HydrophobicContact CD1-CD1 4.28Å; L58-L81 HydrophobicContact CD1-CD2 3.76Å; L58-L81 HydrophobicContact CD2-CD1 4.15Å; L58-L81 HydrophobicContact CD2-CD2 3.73Å; L58-L81 HydrophobicContact CG-CD2 4.3Å; L58-P175 HydrophobicContact CD1-CG 4.45Å; L58-P175 HydrophobicContact CD2-CG 4.34Å; L58-Y176 HydrophobicContact CD2-CE2 3.87Å; L58-V205 HydrophobicContact CD2-CG1 4.47Å
59	A	74	Confident	69	Low	46 Å²	46	51.6 Å²	51.6	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-37.1	173.5	0	0	0	0	0	112.1	K55 H56 I57 L61 L62 V63	K55-A59 PolarHBondContact O-N 3.04Å; H56-A59 WeakPolarHBondContact O-CB 3.31Å; H56-A59 PolarHBondContact O-N 3.06Å; I57-A59 VanDerWaalsContact C-N 3.28Å; I57-A59 PolarHBondContact O-N 2.88Å; A59-L61 VanDerWaalsContact C-N 3.35Å; A59-L61 PolarHBondContact O-N 2.87Å; A59-L62 PolarHBondContact O-N 2.99Å; A59-V63 VanDerWaalsContact O-CG2 3.31Å; A59-V63 WeakPolarHBondContact O-CG2 3.44Å; A59-V63 PolarHBondContact O-N 3.04Å; A59-V63 VanDerWaalsContact O-N 3.08Å
60	H	72.9	Confident	66.3	Low	32 Å²	32	52.7 Å²	52.7	15%	0.148	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-39.5	175.2	-85.3	-61.8	0	0	0	113	S43 C44 H56 I57 L58 V63 N64	S43-H60 PolarHBondContact OG-ND1 2.87Å; C44-H60 PolarHBondContact SG-NE2 2.95Å; H56-H60 AromaticContact CD2-CD2 3.93Å; H56-H60 AromaticContact CE1-CD2 3.71Å; H56-H60 AromaticContact CE1-NE2 3.28Å; H56-H60 PolarHBondContact CE1-NE2 3.43Å; H56-H60 VanDerWaalsContact CE1-NE2 3.28Å; H56-H60 AromaticContact NE2-CD2 3.4Å; H56-H60 PolarHBondContact NE2-CD2 3.28Å; H56-H60 AromaticContact NE2-NE2 3.15Å; H56-H60 PolarHBondContact NE2-NE2 3.46Å; H56-H60 VanDerWaalsContact NE2-NE2 3.15Å; H56-H60 PolarHBondContact O-N 2.87Å; I57-H60 WeakPolarHBondContact O-CB 3.39Å; I57-H60 PolarHBondContact O-N 3.38Å; I57-H60 VanDerWaalsContact O-N 3.16Å; L58-H60 VanDerWaalsContact C-N 3.32Å; L58-H60 PolarHBondContact O-N 3.17Å; H60-V63 PolarHBondContact O-N 2.84Å; H60-N64 VanDerWaalsContact O-CG 3.28Å; H60-N64 PolarHBondContact O-N 3.17Å; H60-N64 VanDerWaalsContact O-N 3.15Å; H60-N64 PolarHBondContact O-ND2 3.33Å
61	L	70.4	Confident	63.8	Low	7 Å²	7	59.9 Å²	59.9	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-42	178.1	-62	174.5	0	0	0	111.7	I57 L58 A59 V63 N64 E65 Y202 V205 R206 W209	I57-L61 PolarHBondContact O-N 3.08Å; L58-L61 PolarHBondContact O-N 3.02Å; A59-L61 VanDerWaalsContact C-N 3.35Å; A59-L61 PolarHBondContact O-N 2.87Å; L61-V63 PolarHBondContact O-N 3.32Å; L61-N64 PolarHBondContact O-N 3.39Å; L61-E65 PolarHBondContact O-N 3.45Å; L61-Y202 HydrophobicContact CD2-CE2 4.03Å; L61-V205 HydrophobicContact CD1-CB 4.28Å; L61-V205 HydrophobicContact CD1-CG1 3.42Å; L61-V205 VanDerWaalsContact CD1-CG1 3.42Å; L61-R206 HydrophobicContact CD2-CB 4.5Å; L61-R206 HydrophobicContact CD2-CG 3.51Å; L61-W209 HydrophobicContact CB-CD2 4.33Å; L61-W209 HydrophobicContact CB-CE3 4.21Å; L61-W209 HydrophobicContact CB-CH2 4.29Å; L61-W209 HydrophobicContact CB-CZ2 4.38Å; L61-W209 HydrophobicContact CB-CZ3 4.14Å; L61-W209 VanDerWaalsContact O-CZ3 3.32Å; L61-W209 WeakPolarHBondContact O-CZ3 3.3Å
62	L	65.9	Low	61.3	Low	46 Å²	46	66 Å²	66	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-38.8	176.5	-72	161.4	0	0	0	113	L58 A59 L66 F76 T78 W209	L58-L62 WeakPolarHBondContact O-CG 3.24Å; L58-L62 PolarHBondContact O-N 2.87Å; A59-L62 PolarHBondContact O-N 2.99Å; L62-L66 VanDerWaalsContact O-CD1 3.26Å; L62-L66 WeakPolarHBondContact O-CD1 3.29Å; L62-F76 HydrophobicContact CD2-CD1 3.94Å; L62-T78 HydrophobicContact CD1-CG2 3.48Å; L62-T78 VanDerWaalsContact CD1-CG2 3.48Å; L62-W209 HydrophobicContact CD2-CH2 3.67Å; L62-W209 HydrophobicContact CD2-CZ2 4.39Å; L62-W209 HydrophobicContact CG-CH2 3.99Å
63	V	58.9	Low	59	Low	39 Å²	39	63.3 Å²	63.3	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-70.7	-40.2	-179.7	173	0	0	0	0	111.9	A59 H60 L61 E65 L66 E67 V402	A59-V63 VanDerWaalsContact O-CG2 3.31Å; A59-V63 WeakPolarHBondContact O-CG2 3.44Å; A59-V63 PolarHBondContact O-N 3.04Å; A59-V63 VanDerWaalsContact O-N 3.08Å; H60-V63 PolarHBondContact O-N 2.84Å; L61-V63 PolarHBondContact O-N 3.32Å; V63-E65 PolarHBondContact O-N 3.15Å; V63-L66 PolarHBondContact O-N 3.28Å; V63-L66 VanDerWaalsContact O-N 3.07Å; V63-E67 PolarHBondContact O-N 3.16Å; V63-V402 HydrophobicContact CG1-CG1 4.11Å; V63-V402 HydrophobicContact CG2-CG1 3.89Å
64	N	51.1	Low	57.1	Low	50 Å²	50	68.2 Å²	68.2	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-33.6	178.8	-70.2	-25.2	0	0	0	112.3	H60 L61 E67 L68	H60-N64 VanDerWaalsContact O-CG 3.28Å; H60-N64 PolarHBondContact O-N 3.17Å; H60-N64 VanDerWaalsContact O-N 3.15Å; H60-N64 PolarHBondContact O-ND2 3.33Å; L61-N64 PolarHBondContact O-N 3.39Å; N64-E67 PolarHBondContact O-N 3.25Å; N64-L68 PolarHBondContact O-N 3.4Å
65	E	46	Very low	55.4	Low	58 Å²	58	73.6 Å²	73.6	27%	0.271	39%	0.391	S	S	.	.	H	α-helix	trans	-66.5	-37.8	173.9	-80	-167.1	162.9	0	0	113.2	L61 V63 E67 L68 S70 W209	L61-E65 PolarHBondContact O-N 3.45Å; V63-E65 PolarHBondContact O-N 3.15Å; E65-E67 VanDerWaalsContact C-N 3.27Å; E65-E67 PolarHBondContact O-N 2.91Å; E65-L68 PolarHBondContact O-N 3.17Å; E65-S70 PolarHBondContact O-OG 3.44Å; E65-W209 HydrophobicContact CB-CZ3 4.4Å; E65-W209 VanDerWaalsContact CD-CE3 3.43Å; E65-W209 HydrophobicContact CG-CE3 3.83Å; E65-W209 HydrophobicContact CG-CZ3 3.5Å; E65-W209 VanDerWaalsContact OE1-CZ3 3.22Å; E65-W209 WeakPolarHBondContact OE1-CZ3 3.47Å; E65-W209 VanDerWaalsContact OE2-CZ3 3.29Å; E65-W209 WeakPolarHBondContact OE2-CZ3 3.15Å
66	L	44.1	Very low	54.2	Low	98 Å²	98	69 Å²	69	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-32.2	176.1	-90.4	80.8	0	0	0	112.2	L62 V63 G69	L62-L66 VanDerWaalsContact O-CD1 3.26Å; L62-L66 WeakPolarHBondContact O-CD1 3.29Å; V63-L66 PolarHBondContact O-N 3.28Å; V63-L66 VanDerWaalsContact O-N 3.07Å; L66-G69 PolarHBondContact O-N 3.33Å
67	E	39.5	Very low	53.5	Low	152 Å²	152	67.2 Å²	67.2	71%	0.71	36%	0.363	S	S	*	.	H	α-helix	trans	-70.9	-33.7	175.7	-67.3	-169.6	167.8	0	0	112.8	V63 N64 E65 G69	V63-E67 PolarHBondContact O-N 3.16Å; N64-E67 PolarHBondContact O-N 3.25Å; E65-E67 VanDerWaalsContact C-N 3.27Å; E65-E67 PolarHBondContact O-N 2.91Å; E67-G69 PolarHBondContact O-N 2.65Å
68	L	40.7	Very low	52.5	Low	141 Å²	141	70.6 Å²	70.6	74%	0.738	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.1	178.1	-80.1	153.2	0	0	0	113.5	N64 E65 S70	N64-L68 PolarHBondContact O-N 3.4Å; E65-L68 PolarHBondContact O-N 3.17Å; L68-S70 PolarHBondContact O-N 3.47Å; L68-S70 VanDerWaalsContact O-N 3.09Å
69	G	31	Very low	51.8	Low	59 Å²	59	74 Å²	74	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	11.9	179.4	0	0	0	0	0	113.4	L66 E67 L71	L66-G69 PolarHBondContact O-N 3.33Å; E67-G69 PolarHBondContact O-N 2.65Å; G69-L71 PolarHBondContact O-N 2.97Å
70	S	33.8	Very low	51.4	Low	50 Å²	50	71.9 Å²	71.9	35%	0.35	38%	0.382	S	S	.	.			trans	-70.9	101.8	168.7	49.7	0	0	0	0	107.4	E65 L68 M72	E65-S70 PolarHBondContact O-OG 3.44Å; L68-S70 PolarHBondContact O-N 3.47Å; L68-S70 VanDerWaalsContact O-N 3.09Å; S70-M72 PolarHBondContact O-N 3.27Å
71	L	38.1	Very low	50.9	Low	150 Å²	150	70.9 Å²	70.9	79%	0.785	38%	0.377	S	S	*	.			trans	-66.5	40	159.5	-66.9	166.3	0	0	0	110.4	G69 S73	G69-L71 PolarHBondContact O-N 2.97Å; L71-S73 PolarHBondContact O-N 3.2Å
72	M	37.3	Very low	50.6	Low	144 Å²	144	71.6 Å²	71.6	71%	0.709	38%	0.383	S	S	*	.			trans	-66.7	83.5	162.8	-73.9	-75.3	84	0	0	105.5	S70 F74	S70-M72 PolarHBondContact O-N 3.27Å; M72-F74 PolarHBondContact O-N 2.98Å
73	S	40.5	Very low	50.3	Low	48 Å²	48	73 Å²	73	34%	0.336	39%	0.393	S	S	.	.			trans	-34.4	129.4	-173.8	51.4	0	0	0	0	110.9	L71 K75	L71-S73 PolarHBondContact O-N 3.2Å; S73-K75 WeakPolarHBondContact O-CA 3.25Å; S73-K75 VanDerWaalsContact O-CB 3.26Å; S73-K75 WeakPolarHBondContact O-CB 3.22Å; S73-K75 WeakPolarHBondContact O-CG 3.38Å; S73-K75 PolarHBondContact O-N 3.06Å; S73-K75 WeakPolarHBondContact OG-CD 3.37Å; S73-K75 VanDerWaalsContact OG-CE 3.25Å; S73-K75 WeakPolarHBondContact OG-CE 3.01Å; S73-K75 WeakPolarHBondContact OG-CG 3.5Å
74	F	46.7	Very low	50.3	Low	103 Å²	103	71.8 Å²	71.8	45%	0.452	39%	0.386	S	S	.	.	S	Bend	trans	11.6	27.3	135	-61.2	-81.9	0	0	0	119.9	M72 M89 L410 A420	M72-F74 PolarHBondContact O-N 2.98Å; F74-M89 WeakPolarHBondContact O-CG 3.26Å; F74-L410 HydrophobicContact CD1-CD1 3.9Å; F74-L410 HydrophobicContact CE1-CD1 3.55Å; F74-L410 HydrophobicContact CE2-CD1 4.46Å; F74-L410 HydrophobicContact CG-CD1 4.49Å; F74-L410 HydrophobicContact CZ-CD1 3.86Å; F74-A420 HydrophobicContact CZ-CB 4.27Å
75	K	51.3	Low	50.8	Low	120 Å²	120	76.5 Å²	76.5	52%	0.522	41%	0.411	S	S	.	.			trans	-123.3	20.4	-170.8	-61.7	-177.3	-176.8	177.6	0	108.9	S73 V83 P84	S73-K75 WeakPolarHBondContact O-CA 3.25Å; S73-K75 VanDerWaalsContact O-CB 3.26Å; S73-K75 WeakPolarHBondContact O-CB 3.22Å; S73-K75 WeakPolarHBondContact O-CG 3.38Å; S73-K75 PolarHBondContact O-N 3.06Å; S73-K75 WeakPolarHBondContact OG-CD 3.37Å; S73-K75 VanDerWaalsContact OG-CE 3.25Å; S73-K75 WeakPolarHBondContact OG-CE 3.01Å; S73-K75 WeakPolarHBondContact OG-CG 3.5Å; K75-V83 HydrophobicContact CB-CG1 4.01Å; K75-V83 WeakPolarHBondContact O-CA 3.5Å; K75-V83 WeakPolarHBondContact O-CB 3.32Å; K75-V83 VanDerWaalsContact O-CG1 3.3Å; K75-V83 WeakPolarHBondContact O-CG1 3.34Å; K75-P84 WeakPolarHBondContact O-CD 2.73Å
76	F	56.6	Low	51.7	Low	48 Å²	48	78 Å²	78	21%	0.211	44%	0.442	C	S	.	.			trans	-113.7	123.8	174.6	-175.4	-89.3	0	0	0	107.9	L62 L81 V83 Y176 W209	L62-F76 HydrophobicContact CD2-CD1 3.94Å; F76-L81 HydrophobicContact CE1-CD2 3.86Å; F76-L81 VanDerWaalsContact CE2-C 3.46Å; F76-L81 WeakPolarHBondContact CE2-O 3.42Å; F76-L81 VanDerWaalsContact CZ-C 3.42Å; F76-L81 VanDerWaalsContact CZ-CA 3.41Å; F76-L81 HydrophobicContact CZ-CB 3.87Å; F76-L81 HydrophobicContact CZ-CD2 3.95Å; F76-L81 WeakPolarHBondContact CZ-O 3.43Å; F76-V83 HydrophobicContact CD2-CG2 4.29Å; F76-Y176 HydrophobicContact CE2-CE1 4.47Å; F76-Y176 HydrophobicContact CZ-CE1 4.04Å; F76-Y176 WeakPolarHBondContact CZ-OH 3.35Å; F76-W209 HydrophobicContact CD1-CZ2 4.12Å; F76-W209 HydrophobicContact CD2-CZ2 4.35Å; F76-W209 AromaticContact CE1-CZ2 3.83Å; F76-W209 HydrophobicContact CE1-CZ2 3.83Å; F76-W209 HydrophobicContact CE2-CZ2 4.07Å; F76-W209 HydrophobicContact CG-CZ2 4.37Å; F76-W209 AromaticContact CZ-CZ2 3.79Å; F76-W209 HydrophobicContact CZ-CZ2 3.79Å
77	C	65.1	Low	52.7	Low	1 Å²	1	76.3 Å²	76.3	1%	0.007	43%	0.433	C	S	.	.			trans	-94.3	130.2	177.6	168.9	0	0	0	0	110.7	E79 C80 L81 S82 M89 H92	C77-E79 PolarHBondContact O-N 3.17Å; C77-E79 PolarHBondContact SG-N 3.08Å; C77-C80 WeakPolarHBondContact CB-SG 3.41Å; C77-L81 WeakPolarHBondContact O-CA 3.2Å; C77-L81 PolarHBondContact O-N 2.93Å; C77-S82 PolarHBondContact N-O 3.31Å; C77-M89 HydrophobicContact CB-CE 3.76Å; C77-H92 WeakPolarHBondContact CB-CD2 3.21Å; C77-H92 WeakPolarHBondContact CB-NE2 3.38Å; C77-H92 PolarHBondContact SG-CD2 3.28Å; C77-H92 PolarHBondContact SG-NE2 3.44Å; C77-H92 VanDerWaalsContact SG-NE2 3.37Å
78	T	61.4	Low	54	Low	72 Å²	72	72.9 Å²	72.9	44%	0.442	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.7	179.8	44.2	0	0	0	0	113.6	L62 L81	L62-T78 HydrophobicContact CD1-CG2 3.48Å; L62-T78 VanDerWaalsContact CD1-CG2 3.48Å; T78-L81 WeakPolarHBondContact O-CD2 3.43Å
79	E	63.5	Low	55.2	Low	90 Å²	90	68 Å²	68	42%	0.421	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-49.7	-178.6	-64.2	173.1	-179.4	0	0	111.9	C77 H93 H96 R220	C77-E79 PolarHBondContact O-N 3.17Å; C77-E79 PolarHBondContact SG-N 3.08Å; E79-H93 IonicContact OE2-CD2 2.85Å; E79-H96 WeakPolarHBondContact OE2-CB 3.27Å; E79-H96 IonicContact OE2-CD2 3.86Å; E79-H96 PolarHBondContact OE2-CD2 3.43Å; E79-H96 IonicContact OE2-CG 3.24Å; E79-H96 VanDerWaalsContact OE2-CG 3.31Å; E79-R220 PolarHBondContact O-NH2 3.29Å
80	C	65.5	Low	56.8	Low	2 Å²	2	66.9 Å²	66.9	1%	0.014	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-21.5	173.6	58.5	0	0	0	0	113.9	C77 S82 H92 H96 R220	C77-C80 WeakPolarHBondContact CB-SG 3.41Å; C80-S82 PolarHBondContact O-N 3.44Å; C80-S82 PolarHBondContact SG-N 2.86Å; C80-S82 PolarHBondContact SG-O 2.81Å; C80-S82 PolarHBondContact SG-OG 3.48Å; C80-H92 PolarHBondContact SG-CE1 2.83Å; C80-H92 PolarHBondContact SG-NE2 3.31Å; C80-H96 WeakPolarHBondContact CB-CE1 3.41Å; C80-H96 VanDerWaalsContact CB-NE2 3.34Å; C80-H96 WeakPolarHBondContact CB-NE2 3.29Å; C80-H96 PolarHBondContact N-CE1 3.42Å; C80-H96 PolarHBondContact N-NE2 3.2Å; C80-R220 VanDerWaalsContact C-NH2 3.25Å; C80-R220 VanDerWaalsContact CA-CZ 3.41Å; C80-R220 PolarHBondContact O-NH2 3.38Å; C80-R220 VanDerWaalsContact O-NH2 3.12Å
81	L	61.9	Low	58.4	Low	11 Å²	11	66.2 Å²	66.2	6%	0.058	37%	0.373	C	S	.	.			trans	55.8	34.7	-166.6	-55.4	177.3	0	0	0	113.8	L58 F76 C77 T78 P175 Y176	L58-L81 HydrophobicContact CD1-CD1 4.28Å; L58-L81 HydrophobicContact CD1-CD2 3.76Å; L58-L81 HydrophobicContact CD2-CD1 4.15Å; L58-L81 HydrophobicContact CD2-CD2 3.73Å; L58-L81 HydrophobicContact CG-CD2 4.3Å; F76-L81 HydrophobicContact CE1-CD2 3.86Å; F76-L81 VanDerWaalsContact CE2-C 3.46Å; F76-L81 WeakPolarHBondContact CE2-O 3.42Å; F76-L81 VanDerWaalsContact CZ-C 3.42Å; F76-L81 VanDerWaalsContact CZ-CA 3.41Å; F76-L81 HydrophobicContact CZ-CB 3.87Å; F76-L81 HydrophobicContact CZ-CD2 3.95Å; F76-L81 WeakPolarHBondContact CZ-O 3.43Å; C77-L81 WeakPolarHBondContact O-CA 3.2Å; C77-L81 PolarHBondContact O-N 2.93Å; T78-L81 WeakPolarHBondContact O-CD2 3.43Å; L81-P175 HydrophobicContact CD1-CB 3.48Å; L81-P175 VanDerWaalsContact CD1-CB 3.48Å; L81-P175 HydrophobicContact CD1-CG 3.42Å; L81-P175 VanDerWaalsContact CD1-CG 3.42Å; L81-Y176 HydrophobicContact CB-CD1 3.82Å; L81-Y176 HydrophobicContact CB-CE1 3.42Å; L81-Y176 VanDerWaalsContact CB-CE1 3.42Å; L81-Y176 HydrophobicContact CD1-CD1 4.21Å; L81-Y176 HydrophobicContact CD1-CD2 4.03Å; L81-Y176 HydrophobicContact CD1-CE1 4.07Å; L81-Y176 HydrophobicContact CD1-CE2 3.83Å; L81-Y176 HydrophobicContact CD1-CG 4.2Å; L81-Y176 HydrophobicContact CG-CE1 4.24Å; L81-Y176 WeakPolarHBondContact O-CE1 3.36Å
82	S	63.1	Low	59.8	Low	21 Å²	21	59.6 Å²	59.6	15%	0.147	34%	0.338	C	S	.	.	S	Bend	trans	-133.1	161.3	179.8	78.3	0	0	0	0	111.6	C77 C80	C77-S82 PolarHBondContact N-O 3.31Å; C80-S82 PolarHBondContact O-N 3.44Å; C80-S82 PolarHBondContact SG-N 2.86Å; C80-S82 PolarHBondContact SG-O 2.81Å; C80-S82 PolarHBondContact SG-OG 3.48Å
83	V	60.7	Low	61.4	Low	77 Å²	77	55.8 Å²	55.8	47%	0.467	32%	0.319	S	S	.	.			trans	-84.5	125.9	172.1	176.3	0	0	0	0	108.8	K75 F76 N85	K75-V83 HydrophobicContact CB-CG1 4.01Å; K75-V83 WeakPolarHBondContact O-CA 3.5Å; K75-V83 WeakPolarHBondContact O-CB 3.32Å; K75-V83 VanDerWaalsContact O-CG1 3.3Å; K75-V83 WeakPolarHBondContact O-CG1 3.34Å; F76-V83 HydrophobicContact CD2-CG2 4.29Å; V83-N85 PolarHBondContact O-N 3.5Å; V83-N85 VanDerWaalsContact O-N 3.15Å
84	P	58	Low	62.8	Low	13 Å²	13	57 Å²	57	8%	0.084	32%	0.316	C	S	.	.			trans	-63.6	118.5	174.4	-17.9	30.4	0	0	0	110.1	K75 G86 I87 M89 H92	K75-P84 WeakPolarHBondContact O-CD 2.73Å; P84-G86 PolarHBondContact O-N 3.17Å; P84-G86 VanDerWaalsContact O-N 3.15Å; P84-I87 HydrophobicContact CB-CD1 4.26Å; P84-I87 HydrophobicContact CB-CG1 3.57Å; P84-M89 HydrophobicContact CG-SD 3.57Å; P84-M89 VanDerWaalsContact CG-SD 3.57Å; P84-H92 HydrophobicContact CB-CB 3.95Å; P84-H92 HydrophobicContact CG-CB 3.75Å
85	N	62.3	Low	64	Low	149 Å²	149	52.3 Å²	52.3	80%	0.797	30%	0.295	S	S	*	.	S	Bend	trans	-77.1	101.6	178.4	-75.4	-15.5	0	0	0	110	V83 I87	V83-N85 PolarHBondContact O-N 3.5Å; V83-N85 VanDerWaalsContact O-N 3.15Å; N85-I87 PolarHBondContact O-N 3.41Å
86	G	65	Low	65	Low	88 Å²	88	46.9 Å²	46.9	91%	0.907	27%	0.272	S	S	*	.	S	Bend	trans	72.7	8.1	170.1	0	0	0	0	0	115.9	P84	P84-G86 PolarHBondContact O-N 3.17Å; P84-G86 VanDerWaalsContact O-N 3.15Å
87	I	64.4	Low	65.6	Low	63 Å²	63	51 Å²	51	32%	0.323	29%	0.286	S	S	.	.	S	Bend	trans	-117.9	159.2	176	66.8	172.3	0	0	0	110.9	P84 N85 S91 H92 I95	P84-I87 HydrophobicContact CB-CD1 4.26Å; P84-I87 HydrophobicContact CB-CG1 3.57Å; N85-I87 PolarHBondContact O-N 3.41Å; I87-S91 WeakPolarHBondContact CB-OG 3.49Å; I87-H92 HydrophobicContact CD1-CB 3.91Å; I87-H92 HydrophobicContact CG1-CB 4.34Å; I87-I95 HydrophobicContact CD1-CD1 3.6Å
88	T	67.1	Low	65.8	Low	81 Å²	81	51.6 Å²	51.6	50%	0.497	29%	0.288	S	S	.	.			trans	-70.1	156.3	176.1	60.8	0	0	0	0	111.4	T90 S91 H92	T88-T90 PolarHBondContact O-N 3.11Å; T88-T90 PolarHBondContact OG1-OG1 2.83Å; T88-S91 PolarHBondContact N-OG 2.78Å; T88-S91 PolarHBondContact O-N 2.87Å; T88-S91 PolarHBondContact O-OG 3.47Å; T88-S91 WeakPolarHBondContact OG1-CB 3.34Å; T88-S91 PolarHBondContact OG1-N 2.71Å; T88-S91 PolarHBondContact OG1-OG 2.96Å; T88-H92 WeakPolarHBondContact O-CB 3.36Å; T88-H92 PolarHBondContact O-N 3.33Å
89	M	65.8	Low	66.3	Low	37 Å²	37	48.6 Å²	48.6	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-30.4	173.2	-75	-61.2	-58.2	0	0	112.8	F74 C77 P84 H92 H93	F74-M89 WeakPolarHBondContact O-CG 3.26Å; C77-M89 HydrophobicContact CB-CE 3.76Å; P84-M89 HydrophobicContact CG-SD 3.57Å; P84-M89 VanDerWaalsContact CG-SD 3.57Å; M89-H92 PolarHBondContact O-N 2.93Å; M89-H93 VanDerWaalsContact CE-CE1 3.46Å; M89-H93 WeakPolarHBondContact CE-CE1 3.45Å; M89-H93 PolarHBondContact O-N 2.78Å; M89-H93 PolarHBondContact O-ND1 3.44Å; M89-H93 VanDerWaalsContact O-ND1 3.14Å
90	T	65.4	Low	66.5	Low	36 Å²	36	49.5 Å²	49.5	22%	0.221	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-54.3	176.6	46.8	0	0	0	0	112.5	T88 H92 H93 W94 A411	T88-T90 PolarHBondContact O-N 3.11Å; T88-T90 PolarHBondContact OG1-OG1 2.83Å; T90-H92 PolarHBondContact O-N 2.92Å; T90-H93 PolarHBondContact O-N 3.27Å; T90-W94 VanDerWaalsContact O-CB 3.31Å; T90-W94 WeakPolarHBondContact O-CB 3.37Å; T90-W94 PolarHBondContact O-N 2.96Å; T90-A411 HydrophobicContact CG2-CB 4.17Å; T90-A411 WeakPolarHBondContact CG2-O 3.3Å
91	S	66.6	Low	66.5	Low	36 Å²	36	54.3 Å²	54.3	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-31.8	176.4	55.6	0	0	0	0	111.2	I87 T88 W94 I95	I87-S91 WeakPolarHBondContact CB-OG 3.49Å; T88-S91 PolarHBondContact N-OG 2.78Å; T88-S91 PolarHBondContact O-N 2.87Å; T88-S91 PolarHBondContact O-OG 3.47Å; T88-S91 WeakPolarHBondContact OG1-CB 3.34Å; T88-S91 PolarHBondContact OG1-N 2.71Å; T88-S91 PolarHBondContact OG1-OG 2.96Å; S91-W94 WeakPolarHBondContact O-CB 3.44Å; S91-W94 PolarHBondContact O-N 2.79Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å; S91-I95 PolarHBondContact O-N 2.87Å; S91-I95 VanDerWaalsContact O-N 3.1Å
92	H	68.7	Low	66.4	Low	12 Å²	12	57.6 Å²	57.6	6%	0.056	31%	0.312	C	S	.	.	H	α-helix	trans	-68.2	-49.3	174	-175.1	74.7	0	0	0	114.2	C77 C80 P84 I87 T88 M89 T90 W94 I95 H96	C77-H92 WeakPolarHBondContact CB-CD2 3.21Å; C77-H92 WeakPolarHBondContact CB-NE2 3.38Å; C77-H92 PolarHBondContact SG-CD2 3.28Å; C77-H92 PolarHBondContact SG-NE2 3.44Å; C77-H92 VanDerWaalsContact SG-NE2 3.37Å; C80-H92 PolarHBondContact SG-CE1 2.83Å; C80-H92 PolarHBondContact SG-NE2 3.31Å; P84-H92 HydrophobicContact CB-CB 3.95Å; P84-H92 HydrophobicContact CG-CB 3.75Å; I87-H92 HydrophobicContact CD1-CB 3.91Å; I87-H92 HydrophobicContact CG1-CB 4.34Å; T88-H92 WeakPolarHBondContact O-CB 3.36Å; T88-H92 PolarHBondContact O-N 3.33Å; M89-H92 PolarHBondContact O-N 2.93Å; T90-H92 PolarHBondContact O-N 2.92Å; H92-W94 PolarHBondContact O-N 3.21Å; H92-I95 VanDerWaalsContact O-CB 3.32Å; H92-I95 WeakPolarHBondContact O-CB 3.37Å; H92-I95 PolarHBondContact O-N 3.2Å; H92-I95 VanDerWaalsContact O-N 3.11Å; H92-H96 AromaticContact CD2-CD2 3.85Å; H92-H96 AromaticContact CD2-NE2 3.76Å; H92-H96 AromaticContact CE1-NE2 3.6Å; H92-H96 AromaticContact NE2-CD2 3.53Å; H92-H96 AromaticContact NE2-NE2 2.97Å; H92-H96 PolarHBondContact NE2-NE2 3.39Å; H92-H96 PolarHBondContact O-N 2.86Å
93	H	69.8	Low	66	Low	64 Å²	64	59.5 Å²	59.5	30%	0.296	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-31.1	173.7	-67.1	132.9	0	0	0	112.2	E79 M89 T90 I95 H96 R97	E79-H93 IonicContact OE2-CD2 2.85Å; M89-H93 VanDerWaalsContact CE-CE1 3.46Å; M89-H93 WeakPolarHBondContact CE-CE1 3.45Å; M89-H93 PolarHBondContact O-N 2.78Å; M89-H93 PolarHBondContact O-ND1 3.44Å; M89-H93 VanDerWaalsContact O-ND1 3.14Å; T90-H93 PolarHBondContact O-N 3.27Å; H93-I95 VanDerWaalsContact C-N 3.29Å; H93-I95 PolarHBondContact O-N 2.77Å; H93-H96 WeakPolarHBondContact O-CB 3.4Å; H93-H96 PolarHBondContact O-N 3.26Å; H93-R97 PolarHBondContact O-N 2.84Å
94	W	70.1	Confident	65.4	Low	74 Å²	74	60.6 Å²	60.6	28%	0.28	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-38.3	173.5	-176.4	95.8	0	0	0	111.7	T90 S91 H92 R97 H98 C111	T90-W94 VanDerWaalsContact O-CB 3.31Å; T90-W94 WeakPolarHBondContact O-CB 3.37Å; T90-W94 PolarHBondContact O-N 2.96Å; S91-W94 WeakPolarHBondContact O-CB 3.44Å; S91-W94 PolarHBondContact O-N 2.79Å; H92-W94 PolarHBondContact O-N 3.21Å; W94-R97 PolarHBondContact O-N 3.46Å; W94-H98 HydrophobicContact CH2-CB 4.11Å; W94-H98 AromaticContact CH2-CE1 3.98Å; W94-H98 AromaticContact CH2-CG 3.95Å; W94-H98 AromaticContact CH2-ND1 3.27Å; W94-H98 VanDerWaalsContact CH2-ND1 3.27Å; W94-H98 WeakPolarHBondContact CH2-ND1 3.33Å; W94-H98 AromaticContact CZ2-ND1 3.94Å; W94-H98 HydrophobicContact CZ3-CB 4.16Å; W94-H98 AromaticContact CZ3-ND1 3.94Å; W94-H98 VanDerWaalsContact O-CB 3.28Å; W94-H98 WeakPolarHBondContact O-CB 3.37Å; W94-H98 PolarHBondContact O-N 3.28Å; W94-C111 HydrophobicContact CH2-CB 3.11Å; W94-C111 WeakPolarHBondContact CH2-SG 3.34Å; W94-C111 HydrophobicContact CZ2-CB 4.22Å; W94-C111 HydrophobicContact CZ3-CB 3.45Å; W94-C111 VanDerWaalsContact CZ3-CB 3.45Å; W94-C111 WeakPolarHBondContact CZ3-SG 3.38Å
95	I	71.7	Confident	64.7	Low	3 Å²	3	65.8 Å²	65.8	2%	0.015	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-46.3	172.6	-70.5	162.8	0	0	0	111.4	I87 S91 H92 H93 H98 V99 V113 N120	I87-I95 HydrophobicContact CD1-CD1 3.6Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å; S91-I95 PolarHBondContact O-N 2.87Å; S91-I95 VanDerWaalsContact O-N 3.1Å; H92-I95 VanDerWaalsContact O-CB 3.32Å; H92-I95 WeakPolarHBondContact O-CB 3.37Å; H92-I95 PolarHBondContact O-N 3.2Å; H92-I95 VanDerWaalsContact O-N 3.11Å; H93-I95 VanDerWaalsContact C-N 3.29Å; H93-I95 PolarHBondContact O-N 2.77Å; I95-H98 WeakPolarHBondContact O-CB 3.41Å; I95-H98 PolarHBondContact O-N 3.47Å; I95-V99 HydrophobicContact CG2-CG2 4.48Å; I95-V99 WeakPolarHBondContact O-CG2 3.22Å; I95-V99 PolarHBondContact O-N 3.37Å; I95-V113 HydrophobicContact CB-CG2 4.46Å; I95-V113 HydrophobicContact CG1-CG2 3.96Å; I95-V113 HydrophobicContact CG2-CB 4.43Å; I95-V113 HydrophobicContact CG2-CG1 3.54Å; I95-V113 HydrophobicContact CG2-CG2 4.05Å; I95-N120 HydrophobicContact CD1-CB 3.75Å; I95-N120 HydrophobicContact CG1-CB 4.49Å
96	H	71.5	Confident	64.1	Low	7 Å²	7	58.8 Å²	58.8	3%	0.032	32%	0.32	C	S	.	.	H	α-helix	trans	-57	-53.4	176.5	-77.9	-58.1	0	0	0	111.8	E79 C80 H92 H93 H98 V99 E100 E118	E79-H96 WeakPolarHBondContact OE2-CB 3.27Å; E79-H96 IonicContact OE2-CD2 3.86Å; E79-H96 PolarHBondContact OE2-CD2 3.43Å; E79-H96 IonicContact OE2-CG 3.24Å; E79-H96 VanDerWaalsContact OE2-CG 3.31Å; C80-H96 WeakPolarHBondContact CB-CE1 3.41Å; C80-H96 VanDerWaalsContact CB-NE2 3.34Å; C80-H96 WeakPolarHBondContact CB-NE2 3.29Å; C80-H96 PolarHBondContact N-CE1 3.42Å; C80-H96 PolarHBondContact N-NE2 3.2Å; H92-H96 AromaticContact CD2-CD2 3.85Å; H92-H96 AromaticContact CD2-NE2 3.76Å; H92-H96 AromaticContact CE1-NE2 3.6Å; H92-H96 AromaticContact NE2-CD2 3.53Å; H92-H96 AromaticContact NE2-NE2 2.97Å; H92-H96 PolarHBondContact NE2-NE2 3.39Å; H92-H96 PolarHBondContact O-N 2.86Å; H93-H96 WeakPolarHBondContact O-CB 3.4Å; H93-H96 PolarHBondContact O-N 3.26Å; H96-H98 PolarHBondContact O-N 3.16Å; H96-V99 PolarHBondContact O-N 3.45Å; H96-V99 VanDerWaalsContact O-N 3.12Å; H96-E100 WeakPolarHBondContact O-CG 3.21Å; H96-E100 PolarHBondContact O-N 3.25Å; H96-E118 IonicContact CE1-OE2 3.86Å; H96-E118 PolarHBondContact CE1-OE2 3.43Å; H96-E118 IonicContact ND1-OE2 3.45Å
97	R	69.8	Low	63.3	Low	134 Å²	134	57.3 Å²	57.3	51%	0.506	29%	0.291	S	S	.	.	H	α-helix	trans	-57.8	-38.4	178.3	-173	179.4	66.7	168	2.6	112	H93 W94 Q101	H93-R97 PolarHBondContact O-N 2.84Å; W94-R97 PolarHBondContact O-N 3.46Å; R97-Q101 VanDerWaalsContact O-CG 3.22Å; R97-Q101 WeakPolarHBondContact O-CG 3.5Å; R97-Q101 PolarHBondContact O-N 3.08Å
98	H	69.4	Low	62.6	Low	13 Å²	13	61.7 Å²	61.7	6%	0.06	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-45	177.2	176.8	110.7	0	0	0	112	W94 I95 H96 Q101 A106	W94-H98 HydrophobicContact CH2-CB 4.11Å; W94-H98 AromaticContact CH2-CE1 3.98Å; W94-H98 AromaticContact CH2-CG 3.95Å; W94-H98 AromaticContact CH2-ND1 3.27Å; W94-H98 VanDerWaalsContact CH2-ND1 3.27Å; W94-H98 WeakPolarHBondContact CH2-ND1 3.33Å; W94-H98 AromaticContact CZ2-ND1 3.94Å; W94-H98 HydrophobicContact CZ3-CB 4.16Å; W94-H98 AromaticContact CZ3-ND1 3.94Å; W94-H98 VanDerWaalsContact O-CB 3.28Å; W94-H98 WeakPolarHBondContact O-CB 3.37Å; W94-H98 PolarHBondContact O-N 3.28Å; I95-H98 WeakPolarHBondContact O-CB 3.41Å; I95-H98 PolarHBondContact O-N 3.47Å; H96-H98 PolarHBondContact O-N 3.16Å; H98-Q101 PolarHBondContact O-N 3.48Å; H98-A106 VanDerWaalsContact CE1-CB 3.43Å; H98-A106 WeakPolarHBondContact CE1-CB 3.39Å; H98-A106 PolarHBondContact CE1-O 3.21Å
99	V	71.2	Confident	62.3	Low	9 Å²	9	62.8 Å²	62.8	6%	0.055	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-43.2	177.5	173.4	0	0	0	0	111	I95 H96 Q101 H102 V113 P115 F154	I95-V99 HydrophobicContact CG2-CG2 4.48Å; I95-V99 WeakPolarHBondContact O-CG2 3.22Å; I95-V99 PolarHBondContact O-N 3.37Å; H96-V99 PolarHBondContact O-N 3.45Å; H96-V99 VanDerWaalsContact O-N 3.12Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 3.41Å; V99-H102 PolarHBondContact O-N 3.39Å; V99-H102 PolarHBondContact O-ND1 3.49Å; V99-V113 HydrophobicContact CG2-CG1 3.81Å; V99-P115 HydrophobicContact CG1-CB 4.24Å; V99-F154 HydrophobicContact CG1-CD1 4.37Å
100	E	69.3	Low	61.9	Low	110 Å²	110	63.3 Å²	63.3	51%	0.514	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-27.5	178.6	-74.3	-175.7	160.7	0	0	114	H96 H102 C156	H96-E100 WeakPolarHBondContact O-CG 3.21Å; H96-E100 PolarHBondContact O-N 3.25Å; E100-H102 PolarHBondContact O-CD2 3.47Å; E100-H102 PolarHBondContact O-N 3.22Å; E100-C156 HydrophobicContact CG-CB 3.96Å
101	Q	65.9	Low	62	Low	103 Å²	103	63 Å²	63	48%	0.481	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.2	178.6	-78	171.3	-1.8	0	0	112.9	R97 H98 V99 T103	R97-Q101 VanDerWaalsContact O-CG 3.22Å; R97-Q101 WeakPolarHBondContact O-CG 3.5Å; R97-Q101 PolarHBondContact O-N 3.08Å; H98-Q101 PolarHBondContact O-N 3.48Å; V99-Q101 VanDerWaalsContact C-N 3.27Å; V99-Q101 PolarHBondContact O-N 3.41Å; Q101-T103 WeakPolarHBondContact O-CG2 3.46Å; Q101-T103 PolarHBondContact O-N 3.5Å
102	H	59.8	Low	62.4	Low	80 Å²	80	62.8 Å²	62.8	37%	0.37	32%	0.324	S	S	.	.			trans	47.1	24.8	178.4	-62.7	-76.3	0	0	0	115.5	V99 E100 F154 C156	V99-H102 PolarHBondContact O-N 3.39Å; V99-H102 PolarHBondContact O-ND1 3.49Å; E100-H102 PolarHBondContact O-CD2 3.47Å; E100-H102 PolarHBondContact O-N 3.22Å; H102-F154 AromaticContact CE1-CD1 3.38Å; H102-F154 WeakPolarHBondContact CE1-CD1 3.47Å; H102-F154 AromaticContact CE1-CE1 3.87Å; H102-F154 AromaticContact CE1-CG 3.48Å; H102-F154 VanDerWaalsContact CE1-CG 3.48Å; H102-F154 WeakPolarHBondContact CE1-CG 3.36Å; H102-F154 AromaticContact ND1-CD1 3.61Å; H102-F154 AromaticContact ND1-CE1 3.59Å; H102-C156 VanDerWaalsContact CE1-SG 3.59Å; H102-C156 PolarHBondContact NE2-SG 3.31Å
103	T	53.9	Low	62.8	Low	60 Å²	60	62.3 Å²	62.3	37%	0.368	32%	0.322	S	S	.	.			trans	-90.7	135.8	-179.6	68.3	0	0	0	0	110.7	Q101 L105 A106	Q101-T103 WeakPolarHBondContact O-CG2 3.46Å; Q101-T103 PolarHBondContact O-N 3.5Å; T103-L105 PolarHBondContact O-N 3.49Å; T103-A106 WeakPolarHBondContact O-CB 3.31Å; T103-A106 PolarHBondContact O-N 3.15Å; T103-A106 PolarHBondContact OG1-N 3.25Å; T103-A106 VanDerWaalsContact OG1-N 3.09Å
104	P	47.9	Very low	63.3	Low	101 Å²	101	59.3 Å²	59.3	66%	0.656	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.7	167.2	-23.9	33.5	0	0	0	112.6	A106 L107	P104-A106 VanDerWaalsContact C-N 3.28Å; P104-A106 PolarHBondContact O-N 3.07Å; P104-L107 PolarHBondContact O-N 3.29Å
105	L	44.1	Very low	63.7	Low	121 Å²	121	56.8 Å²	56.8	63%	0.634	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.2	172.8	-77.6	106.6	0	0	0	112.5	T103 L107 M108 D109	T103-L105 PolarHBondContact O-N 3.49Å; L105-L107 PolarHBondContact O-N 3.39Å; L105-M108 WeakPolarHBondContact O-CA 3.24Å; L105-M108 VanDerWaalsContact O-CB 3.3Å; L105-M108 WeakPolarHBondContact O-CB 3.28Å; L105-M108 PolarHBondContact O-N 3.49Å; L105-D109 PolarHBondContact O-N 3.12Å
106	A	48.1	Very low	64.3	Low	3 Å²	3	56.6 Å²	56.6	3%	0.025	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57.2	-40	176.7	0	0	0	0	0	111	H98 T103 P104 M108 D109	H98-A106 VanDerWaalsContact CE1-CB 3.43Å; H98-A106 WeakPolarHBondContact CE1-CB 3.39Å; H98-A106 PolarHBondContact CE1-O 3.21Å; T103-A106 WeakPolarHBondContact O-CB 3.31Å; T103-A106 PolarHBondContact O-N 3.15Å; T103-A106 PolarHBondContact OG1-N 3.25Å; T103-A106 VanDerWaalsContact OG1-N 3.09Å; P104-A106 VanDerWaalsContact C-N 3.28Å; P104-A106 PolarHBondContact O-N 3.07Å; A106-M108 PolarHBondContact O-N 3.28Å; A106-M108 VanDerWaalsContact O-N 3.15Å; A106-D109 WeakPolarHBondContact O-CB 3.13Å; A106-D109 PolarHBondContact O-N 3.38Å; A106-D109 VanDerWaalsContact O-N 3.13Å
107	L	49.9	Very low	64.9	Low	56 Å²	56	56.8 Å²	56.8	29%	0.293	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.4	-20.2	174	-76.6	146.5	0	0	0	113.8	W16 P104 L105 L127	W16-L107 HydrophobicContact CE3-CD2 4.48Å; W16-L107 HydrophobicContact CZ3-CD2 4.26Å; P104-L107 PolarHBondContact O-N 3.29Å; L105-L107 PolarHBondContact O-N 3.39Å; L107-L127 HydrophobicContact CD2-CD2 4Å
108	M	48.7	Very low	65.5	Low	155 Å²	155	51.6 Å²	51.6	76%	0.764	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-87.7	-12	178.8	-61.1	-172.9	63.6	0	0	113.4	L105 A106 G110	L105-M108 WeakPolarHBondContact O-CA 3.24Å; L105-M108 VanDerWaalsContact O-CB 3.3Å; L105-M108 WeakPolarHBondContact O-CB 3.28Å; L105-M108 PolarHBondContact O-N 3.49Å; A106-M108 PolarHBondContact O-N 3.28Å; A106-M108 VanDerWaalsContact O-N 3.15Å; M108-G110 PolarHBondContact O-N 3.28Å
109	D	60.6	Low	66.1	Low	105 Å²	105	53.4 Å²	53.4	56%	0.561	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	9.4	178.1	-64.2	-20.5	0	0	0	113	L105 A106 C111	L105-D109 PolarHBondContact O-N 3.12Å; A106-D109 WeakPolarHBondContact O-CB 3.13Å; A106-D109 PolarHBondContact O-N 3.38Å; A106-D109 VanDerWaalsContact O-N 3.13Å; D109-C111 VanDerWaalsContact C-N 3.27Å
110	G	58.5	Low	66.5	Low	48 Å²	48	56.4 Å²	56.4	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	9.5	-176.4	0	0	0	0	0	113.7	M108	M108-G110 PolarHBondContact O-N 3.28Å
111	C	66.2	Low	67	Low	29 Å²	29	52.9 Å²	52.9	20%	0.196	30%	0.296	C	S	.	.			trans	-113.5	116.3	-175	-63.8	0	0	0	0	111	W94 D109	W94-C111 HydrophobicContact CH2-CB 3.11Å; W94-C111 WeakPolarHBondContact CH2-SG 3.34Å; W94-C111 HydrophobicContact CZ2-CB 4.22Å; W94-C111 HydrophobicContact CZ3-CB 3.45Å; W94-C111 VanDerWaalsContact CZ3-CB 3.45Å; W94-C111 WeakPolarHBondContact CZ3-SG 3.38Å; D109-C111 VanDerWaalsContact C-N 3.27Å
112	F	75.2	Confident	67.7	Low	32 Å²	32	54.1 Å²	54.1	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	91.2	-174.3	-53.8	-67.3	0	0	0	108.5	N120 F121 S123 L124 L127	F112-N120 CarbonylContact O-C 3.58Å; F112-F121 HydrophobicContact CB-CB 3.99Å; F112-F121 WeakPolarHBondContact CB-O 3.4Å; F112-F121 WeakPolarHBondContact O-CB 3.1Å; F112-F121 WeakPolarHBondContact O-CD2 3.25Å; F112-F121 PolarHBondContact O-N 2.8Å; F112-S123 VanDerWaalsContact CD2-CA 3.42Å; F112-L124 HydrophobicContact CD1-CB 3.85Å; F112-L124 HydrophobicContact CD1-CD1 3.61Å; F112-L124 HydrophobicContact CD1-CG 4.37Å; F112-L124 HydrophobicContact CE1-CB 3.45Å; F112-L124 VanDerWaalsContact CE1-CB 3.45Å; F112-L124 HydrophobicContact CE1-CD1 3.62Å; F112-L124 HydrophobicContact CE1-CG 4.07Å; F112-L124 HydrophobicContact CE2-CB 4.41Å; F112-L124 HydrophobicContact CG-CB 4.47Å; F112-L124 HydrophobicContact CZ-CB 3.75Å; F112-L127 HydrophobicContact CB-CB 3.99Å; F112-L127 HydrophobicContact CB-CD2 3.9Å; F112-L127 HydrophobicContact CD1-CD2 4.46Å
113	V	76.8	Confident	68.5	Low	2 Å²	2	52.2 Å²	52.2	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.6	176.8	-178.6	0	0	0	0	109	I95 V99 P115 S119 N120	I95-V113 HydrophobicContact CB-CG2 4.46Å; I95-V113 HydrophobicContact CG1-CG2 3.96Å; I95-V113 HydrophobicContact CG2-CB 4.43Å; I95-V113 HydrophobicContact CG2-CG1 3.54Å; I95-V113 HydrophobicContact CG2-CG2 4.05Å; V99-V113 HydrophobicContact CG2-CG1 3.81Å; V113-P115 VanDerWaalsContact O-CD 3.3Å; V113-P115 WeakPolarHBondContact O-CD 3.26Å; V113-S119 CarbonylContact C-O 3.54Å; V113-S119 WeakPolarHBondContact CA-O 3.29Å; V113-N120 HydrophobicContact CG2-CB 4.5Å
114	C	81.1	Confident	69.7	Low	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.304	C	S	.	.			trans	-75.7	117.9	166.8	179.3	0	0	0	0	109.7	I116 C117 E118 S119 F121 L127 H130 H135	C114-I116 PolarHBondContact O-N 3.09Å; C114-C117 VanDerWaalsContact CB-SG 3.57Å; C114-C117 VanDerWaalsContact SG-SG 3.66Å; C114-E118 WeakPolarHBondContact O-CA 3.35Å; C114-E118 PolarHBondContact O-N 3.22Å; C114-S119 PolarHBondContact N-O 3.06Å; C114-F121 HydrophobicContact CB-CE2 4.03Å; C114-L127 HydrophobicContact CB-CD1 3.88Å; C114-H130 WeakPolarHBondContact CB-NE2 3.22Å; C114-H135 PolarHBondContact SG-NE2 3.24Å
115	P	79.2	Confident	71.2	Confident	21 Å²	21	53.7 Å²	53.7	14%	0.136	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.2	179.6	-18.4	32.4	0	0	0	114.4	Y20 V99 V113 F154	Y20-P115 HydrophobicContact CE1-CB 4.4Å; Y20-P115 HydrophobicContact CE1-CG 4.06Å; Y20-P115 HydrophobicContact CE2-CG 4.28Å; Y20-P115 VanDerWaalsContact CZ-CD 3.48Å; Y20-P115 WeakPolarHBondContact OH-CD 3.46Å; V99-P115 HydrophobicContact CG1-CB 4.24Å; V113-P115 VanDerWaalsContact O-CD 3.3Å; V113-P115 WeakPolarHBondContact O-CD 3.26Å; P115-F154 HydrophobicContact CB-CD1 3.48Å; P115-F154 VanDerWaalsContact CB-CD1 3.48Å; P115-F154 HydrophobicContact CB-CE1 3.26Å; P115-F154 HydrophobicContact CB-CZ 4.35Å; P115-F154 HydrophobicContact CG-CE1 3.92Å
116	I	82.8	Confident	72.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-60.8	177.4	-59	158.9	0	0	0	109.2	Y20 C114 H135 D139 P141 Y142 S153 C219	Y20-I116 HydrophobicContact CD1-CD1 3.7Å; Y20-I116 HydrophobicContact CD1-CG1 3.74Å; Y20-I116 HydrophobicContact CE1-CD1 3.63Å; Y20-I116 HydrophobicContact CE1-CG1 3.74Å; C114-I116 PolarHBondContact O-N 3.09Å; I116-H135 VanDerWaalsContact CB-CE1 3.43Å; I116-H135 WeakPolarHBondContact CB-CE1 3.4Å; I116-H135 HydrophobicContact CD1-CB 4.2Å; I116-H135 WeakPolarHBondContact CG2-CE1 3.22Å; I116-D139 HydrophobicContact CD1-CB 3.92Å; I116-P141 HydrophobicContact CG2-CG 3.74Å; I116-Y142 PolarHBondContact O-OH 3.37Å; I116-S153 WeakPolarHBondContact CA-O 2.83Å; I116-C219 HydrophobicContact CG2-CB 4.43Å
117	C	85	Confident	74.4	Confident	11 Å²	11	53.7 Å²	53.7	7%	0.074	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.3	-175.6	69.6	0	0	0	0	114.8	C114 S119 H130	C114-C117 VanDerWaalsContact CB-SG 3.57Å; C114-C117 VanDerWaalsContact SG-SG 3.66Å; C117-S119 PolarHBondContact O-N 3Å; C117-S119 VanDerWaalsContact SG-CB 3.55Å; C117-S119 PolarHBondContact SG-OG 2.97Å; C117-H130 PolarHBondContact SG-CE1 3.21Å; C117-H130 PolarHBondContact SG-NE2 3.02Å
118	E	81.9	Confident	75.5	Confident	24 Å²	24	52.6 Å²	52.6	11%	0.112	30%	0.298	C	S	.	.			trans	57.3	25	-177.2	-63.2	170.6	-168.5	0	0	113.8	H96 C114 R220	H96-E118 IonicContact CE1-OE2 3.86Å; H96-E118 PolarHBondContact CE1-OE2 3.43Å; H96-E118 IonicContact ND1-OE2 3.45Å; C114-E118 WeakPolarHBondContact O-CA 3.35Å; C114-E118 PolarHBondContact O-N 3.22Å; E118-R220 IonicContact OE1-CZ 3.31Å; E118-R220 IonicContact OE1-NH1 3.01Å; E118-R220 PolarHBondContact OE1-NH1 2.8Å; E118-R220 IonicContact OE2-NH1 3.99Å; E118-R220 PolarHBondContact OE2-NH1 3.2Å
119	S	82	Confident	76.9	Confident	51 Å²	51	48.4 Å²	48.4	36%	0.357	28%	0.281	S	S	.	.			trans	-79.2	134.9	174.8	-65.2	0	0	0	0	111.2	V113 C114 C117 F121	V113-S119 CarbonylContact C-O 3.54Å; V113-S119 WeakPolarHBondContact CA-O 3.29Å; C114-S119 PolarHBondContact N-O 3.06Å; C117-S119 PolarHBondContact O-N 3Å; C117-S119 VanDerWaalsContact SG-CB 3.55Å; C117-S119 PolarHBondContact SG-OG 2.97Å; S119-F121 WeakPolarHBondContact O-CD2 3.32Å; S119-F121 WeakPolarHBondContact O-CE2 3.41Å
120	N	80.5	Confident	77.8	Confident	72 Å²	72	44.3 Å²	44.3	39%	0.385	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	140.5	176.4	-174.8	-2.3	0	0	0	111.3	I95 F112 V113	I95-N120 HydrophobicContact CD1-CB 3.75Å; I95-N120 HydrophobicContact CG1-CB 4.49Å; F112-N120 CarbonylContact O-C 3.58Å; V113-N120 HydrophobicContact CG2-CB 4.5Å
121	F	78.6	Confident	78.5	Confident	37 Å²	37	42 Å²	42	16%	0.162	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.9	-179.1	-58.1	-84.9	0	0	0	111.6	F112 C114 S119 S123 K126 L127 H130	F112-F121 HydrophobicContact CB-CB 3.99Å; F112-F121 WeakPolarHBondContact CB-O 3.4Å; F112-F121 WeakPolarHBondContact O-CB 3.1Å; F112-F121 WeakPolarHBondContact O-CD2 3.25Å; F112-F121 PolarHBondContact O-N 2.8Å; C114-F121 HydrophobicContact CB-CE2 4.03Å; S119-F121 WeakPolarHBondContact O-CD2 3.32Å; S119-F121 WeakPolarHBondContact O-CE2 3.41Å; F121-S123 VanDerWaalsContact C-N 3.28Å; F121-S123 PolarHBondContact O-N 2.94Å; F121-K126 HydrophobicContact CB-CB 4.22Å; F121-K126 HydrophobicContact CD1-CB 4.09Å; F121-L127 HydrophobicContact CB-CB 4.2Å; F121-L127 HydrophobicContact CD2-CB 3.91Å; F121-L127 HydrophobicContact CD2-CD1 3.6Å; F121-L127 HydrophobicContact CD2-CG 4.34Å; F121-L127 HydrophobicContact CE2-CD1 3.71Å; F121-L127 HydrophobicContact CG-CB 4.12Å; F121-H130 HydrophobicContact CD1-CB 4.46Å; F121-H130 HydrophobicContact CE1-CB 3.63Å; F121-H130 AromaticContact CE1-CG 3.76Å; F121-H130 HydrophobicContact CE2-CB 4.21Å; F121-H130 AromaticContact CE2-CD2 3.58Å; F121-H130 AromaticContact CE2-CG 3.82Å; F121-H130 HydrophobicContact CZ-CB 3.5Å; F121-H130 AromaticContact CZ-CD2 3.37Å; F121-H130 WeakPolarHBondContact CZ-CD2 3.35Å; F121-H130 AromaticContact CZ-CE1 3.84Å; F121-H130 AromaticContact CZ-CG 3.14Å; F121-H130 AromaticContact CZ-ND1 3.47Å; F121-H130 WeakPolarHBondContact CZ-ND1 3.46Å; F121-H130 AromaticContact CZ-NE2 3.78Å
122	V	80.1	Confident	78.8	Confident	129 Å²	129	48.5 Å²	48.5	78%	0.782	26%	0.257	S	S	*	.	S	Bend	trans	-71.5	-23.5	179.6	-175.9	0	0	0	0	112.5
123	S	78.1	Confident	78.9	Confident	40 Å²	40	53.4 Å²	53.4	28%	0.28	28%	0.28	S	S	.	.	S	Bend	trans	-146.1	154.4	-177.9	73.1	0	0	0	0	112	F112 F121 I125 K126 L127	F112-S123 VanDerWaalsContact CD2-CA 3.42Å; F121-S123 VanDerWaalsContact C-N 3.28Å; F121-S123 PolarHBondContact O-N 2.94Å; S123-I125 PolarHBondContact O-N 2.86Å; S123-K126 PolarHBondContact O-N 2.82Å; S123-K126 VanDerWaalsContact O-N 3.15Å; S123-K126 WeakPolarHBondContact OG-CG 3.22Å; S123-K126 PolarHBondContact OG-N 3.43Å; S123-L127 PolarHBondContact O-N 2.84Å; S123-L127 VanDerWaalsContact O-N 3.14Å
124	L	77.8	Confident	78.9	Confident	61 Å²	61	58.8 Å²	58.8	32%	0.319	30%	0.3	S	S	.	.	H	α-helix	trans	-57.6	-39.3	176.2	-174.4	62.8	0	0	0	113	W16 F112 K126 L127 A128	W16-L124 HydrophobicContact CE3-CD1 4.37Å; W16-L124 HydrophobicContact CH2-CD1 2.99Å; W16-L124 HydrophobicContact CH2-CD2 3.48Å; W16-L124 VanDerWaalsContact CH2-CD2 3.48Å; W16-L124 HydrophobicContact CH2-CG 3.57Å; W16-L124 HydrophobicContact CZ2-CD1 3.65Å; W16-L124 HydrophobicContact CZ2-CD2 3.91Å; W16-L124 HydrophobicContact CZ2-CG 3.89Å; W16-L124 HydrophobicContact CZ3-CD1 3.38Å; W16-L124 HydrophobicContact CZ3-CG 4.41Å; F112-L124 HydrophobicContact CD1-CB 3.85Å; F112-L124 HydrophobicContact CD1-CD1 3.61Å; F112-L124 HydrophobicContact CD1-CG 4.37Å; F112-L124 HydrophobicContact CE1-CB 3.45Å; F112-L124 VanDerWaalsContact CE1-CB 3.45Å; F112-L124 HydrophobicContact CE1-CD1 3.62Å; F112-L124 HydrophobicContact CE1-CG 4.07Å; F112-L124 HydrophobicContact CE2-CB 4.41Å; F112-L124 HydrophobicContact CG-CB 4.47Å; F112-L124 HydrophobicContact CZ-CB 3.75Å; L124-K126 VanDerWaalsContact C-N 3.32Å; L124-K126 PolarHBondContact O-N 3.3Å; L124-L127 PolarHBondContact O-N 2.94Å; L124-A128 WeakPolarHBondContact O-CB 3.22Å; L124-A128 PolarHBondContact O-N 3.27Å
125	I	79.6	Confident	78.7	Confident	131 Å²	131	59.3 Å²	59.3	67%	0.672	30%	0.302	S	S	*	.	H	α-helix	trans	-62.3	-42.6	179.5	-59.7	173	0	0	0	109.9	S123 A128 V129	S123-I125 PolarHBondContact O-N 2.86Å; I125-A128 PolarHBondContact O-N 3.22Å; I125-V129 HydrophobicContact CG2-CG2 4.47Å; I125-V129 WeakPolarHBondContact O-CG2 3.44Å; I125-V129 PolarHBondContact O-N 3.26Å
126	K	80.6	Confident	78.4	Confident	121 Å²	121	59.4 Å²	59.4	53%	0.526	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-40.2	177.1	-74.1	-178.7	176.7	-177.7	0	112	F121 S123 L124 H130	F121-K126 HydrophobicContact CB-CB 4.22Å; F121-K126 HydrophobicContact CD1-CB 4.09Å; S123-K126 PolarHBondContact O-N 2.82Å; S123-K126 VanDerWaalsContact O-N 3.15Å; S123-K126 WeakPolarHBondContact OG-CG 3.22Å; S123-K126 PolarHBondContact OG-N 3.43Å; L124-K126 VanDerWaalsContact C-N 3.32Å; L124-K126 PolarHBondContact O-N 3.3Å; K126-H130 VanDerWaalsContact O-CB 3.27Å; K126-H130 WeakPolarHBondContact O-CB 3.48Å; K126-H130 PolarHBondContact O-N 2.79Å
127	L	79.2	Confident	77.6	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-44.3	173	173.4	63.2	0	0	0	111.3	L107 F112 C114 F121 S123 L124 H130 L131	L107-L127 HydrophobicContact CD2-CD2 4Å; F112-L127 HydrophobicContact CB-CB 3.99Å; F112-L127 HydrophobicContact CB-CD2 3.9Å; F112-L127 HydrophobicContact CD1-CD2 4.46Å; C114-L127 HydrophobicContact CB-CD1 3.88Å; F121-L127 HydrophobicContact CB-CB 4.2Å; F121-L127 HydrophobicContact CD2-CB 3.91Å; F121-L127 HydrophobicContact CD2-CD1 3.6Å; F121-L127 HydrophobicContact CD2-CG 4.34Å; F121-L127 HydrophobicContact CE2-CD1 3.71Å; F121-L127 HydrophobicContact CG-CB 4.12Å; S123-L127 PolarHBondContact O-N 2.84Å; S123-L127 VanDerWaalsContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 2.94Å; L127-H130 WeakPolarHBondContact O-CB 3.27Å; L127-H130 PolarHBondContact O-N 2.76Å; L127-L131 HydrophobicContact CD1-CD1 4.35Å; L127-L131 HydrophobicContact CD1-CG 4.17Å; L127-L131 HydrophobicContact CG-CD1 4.27Å; L127-L131 HydrophobicContact CG-CG 4.5Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 3.31Å
128	A	73.7	Confident	76.8	Confident	34 Å²	34	63.9 Å²	63.9	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-44.4	178.9	0	0	0	0	0	112.4	L124 I125 H130 L131 Y132	L124-A128 WeakPolarHBondContact O-CB 3.22Å; L124-A128 PolarHBondContact O-N 3.27Å; I125-A128 PolarHBondContact O-N 3.22Å; A128-H130 VanDerWaalsContact C-N 3.33Å; A128-L131 PolarHBondContact O-N 3.46Å; A128-Y132 WeakPolarHBondContact O-CB 3.43Å; A128-Y132 PolarHBondContact O-N 2.81Å
129	V	76.8	Confident	76.5	Confident	66 Å²	66	62.8 Å²	62.8	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-44.9	173.5	171.9	0	0	0	0	110.3	I125 L131 Y132 E133	I125-V129 HydrophobicContact CG2-CG2 4.47Å; I125-V129 WeakPolarHBondContact O-CG2 3.44Å; I125-V129 PolarHBondContact O-N 3.26Å; V129-L131 PolarHBondContact O-N 3.26Å; V129-Y132 PolarHBondContact O-N 3.15Å; V129-E133 HydrophobicContact CG1-CG 4.15Å; V129-E133 WeakPolarHBondContact CG1-OE1 3.42Å; V129-E133 WeakPolarHBondContact O-CB 3.33Å; V129-E133 WeakPolarHBondContact O-CG 3.38Å; V129-E133 PolarHBondContact O-N 3.31Å
130	H	80	Confident	76.6	Confident	19 Å²	19	60.7 Å²	60.7	9%	0.088	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-47.4	176	163.8	78.7	0	0	0	112.8	C114 C117 F121 K126 L127 A128 Y132 E133 R134 H135	C114-H130 WeakPolarHBondContact CB-NE2 3.22Å; C117-H130 PolarHBondContact SG-CE1 3.21Å; C117-H130 PolarHBondContact SG-NE2 3.02Å; F121-H130 HydrophobicContact CD1-CB 4.46Å; F121-H130 HydrophobicContact CE1-CB 3.63Å; F121-H130 AromaticContact CE1-CG 3.76Å; F121-H130 HydrophobicContact CE2-CB 4.21Å; F121-H130 AromaticContact CE2-CD2 3.58Å; F121-H130 AromaticContact CE2-CG 3.82Å; F121-H130 HydrophobicContact CZ-CB 3.5Å; F121-H130 AromaticContact CZ-CD2 3.37Å; F121-H130 WeakPolarHBondContact CZ-CD2 3.35Å; F121-H130 AromaticContact CZ-CE1 3.84Å; F121-H130 AromaticContact CZ-CG 3.14Å; F121-H130 AromaticContact CZ-ND1 3.47Å; F121-H130 WeakPolarHBondContact CZ-ND1 3.46Å; F121-H130 AromaticContact CZ-NE2 3.78Å; K126-H130 VanDerWaalsContact O-CB 3.27Å; K126-H130 WeakPolarHBondContact O-CB 3.48Å; K126-H130 PolarHBondContact O-N 2.79Å; L127-H130 WeakPolarHBondContact O-CB 3.27Å; L127-H130 PolarHBondContact O-N 2.76Å; A128-H130 VanDerWaalsContact C-N 3.33Å; H130-Y132 VanDerWaalsContact C-N 3.27Å; H130-Y132 PolarHBondContact O-N 2.89Å; H130-E133 PolarHBondContact O-N 2.99Å; H130-R134 WeakPolarHBondContact ND1-CG 3.39Å; H130-R134 VanDerWaalsContact O-CB 3.25Å; H130-R134 WeakPolarHBondContact O-CB 3.3Å; H130-R134 PolarHBondContact O-N 2.95Å; H130-H135 AromaticContact CE1-NE2 3.64Å; H130-H135 AromaticContact NE2-CD2 3.51Å; H130-H135 AromaticContact NE2-NE2 3.1Å; H130-H135 PolarHBondContact NE2-NE2 2.99Å
131	L	73	Confident	76.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-42.4	176.7	-69.7	173	0	0	0	111.3	W16 Y19 Y20 L127 A128 V129 H135	W16-L131 HydrophobicContact CB-CD1 4.43Å; W16-L131 HydrophobicContact CG-CD1 4.5Å; Y19-L131 HydrophobicContact CD1-CB 4.38Å; Y19-L131 HydrophobicContact CD2-CB 4.46Å; Y19-L131 HydrophobicContact CE1-CB 4.27Å; Y19-L131 WeakPolarHBondContact CE1-O 3.36Å; Y19-L131 HydrophobicContact CE2-CB 4.38Å; Y19-L131 HydrophobicContact CG-CB 4.47Å; Y20-L131 HydrophobicContact CE1-CD2 4.28Å; Y20-L131 WeakPolarHBondContact OH-CD2 3.18Å; L127-L131 HydrophobicContact CD1-CD1 4.35Å; L127-L131 HydrophobicContact CD1-CG 4.17Å; L127-L131 HydrophobicContact CG-CD1 4.27Å; L127-L131 HydrophobicContact CG-CG 4.5Å; L127-L131 WeakPolarHBondContact O-CG 3.26Å; L127-L131 PolarHBondContact O-N 3.31Å; A128-L131 PolarHBondContact O-N 3.46Å; V129-L131 PolarHBondContact O-N 3.26Å; L131-H135 WeakPolarHBondContact O-CB 3.43Å; L131-H135 PolarHBondContact O-N 3.16Å
132	Y	73.2	Confident	77.5	Confident	165 Å²	165	55.6 Å²	55.6	65%	0.647	28%	0.277	S	S	*	.	H	α-helix	trans	-66.8	-40	178.1	179.8	-97	0	0	0	113.3	A128 V129 H130	A128-Y132 WeakPolarHBondContact O-CB 3.43Å; A128-Y132 PolarHBondContact O-N 2.81Å; V129-Y132 PolarHBondContact O-N 3.15Å; H130-Y132 VanDerWaalsContact C-N 3.27Å; H130-Y132 PolarHBondContact O-N 2.89Å
133	E	77.7	Confident	77.9	Confident	134 Å²	134	50 Å²	50	63%	0.626	24%	0.243	S	C	*	.	H	α-helix	trans	-85.2	-28.4	-175.4	-71.3	-178.9	170.6	0	0	114.2	V129 H130	V129-E133 HydrophobicContact CG1-CG 4.15Å; V129-E133 WeakPolarHBondContact CG1-OE1 3.42Å; V129-E133 WeakPolarHBondContact O-CB 3.33Å; V129-E133 WeakPolarHBondContact O-CG 3.38Å; V129-E133 PolarHBondContact O-N 3.31Å; H130-E133 PolarHBondContact O-N 2.99Å
134	R	75.3	Confident	78.4	Confident	116 Å²	116	48.1 Å²	48.1	44%	0.438	23%	0.23	S	C	.	.	H	α-helix	trans	-112.3	-23.7	-168.4	-62.4	-59.8	-170.6	130.6	-2.3	114.9	H130 T217 S218	H130-R134 WeakPolarHBondContact ND1-CG 3.39Å; H130-R134 VanDerWaalsContact O-CB 3.25Å; H130-R134 WeakPolarHBondContact O-CB 3.3Å; H130-R134 PolarHBondContact O-N 2.95Å; R134-T217 PolarHBondContact NH1-OG1 2.69Å; R134-S218 WeakPolarHBondContact O-CB 3.43Å; R134-S218 PolarHBondContact O-OG 3.2Å
135	H	77.3	Confident	79	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.046	22%	0.222	C	C	.	.			trans	-118.9	137.5	-172.3	-65.3	-74.2	0	0	0	111.3	Y19 C114 I116 H130 L131 D139 S218	Y19-H135 HydrophobicContact CD1-CB 4.31Å; C114-H135 PolarHBondContact SG-NE2 3.24Å; I116-H135 VanDerWaalsContact CB-CE1 3.43Å; I116-H135 WeakPolarHBondContact CB-CE1 3.4Å; I116-H135 HydrophobicContact CD1-CB 4.2Å; I116-H135 WeakPolarHBondContact CG2-CE1 3.22Å; H130-H135 AromaticContact CE1-NE2 3.64Å; H130-H135 AromaticContact NE2-CD2 3.51Å; H130-H135 AromaticContact NE2-NE2 3.1Å; H130-H135 PolarHBondContact NE2-NE2 2.99Å; L131-H135 WeakPolarHBondContact O-CB 3.43Å; L131-H135 PolarHBondContact O-N 3.16Å; H135-D139 HydrophobicContact CB-CB 4.37Å; H135-D139 IonicContact CE1-OD2 2.79Å; H135-D139 IonicContact CG-OD2 3.72Å; H135-D139 IonicContact ND1-OD2 3.55Å; H135-D139 PolarHBondContact ND1-OD2 3.38Å; H135-S218 PolarHBondContact CE1-O 3.4Å; H135-S218 PolarHBondContact ND1-O 2.84Å
136	V	72.5	Confident	79.4	Confident	23 Å²	23	40.3 Å²	40.3	14%	0.139	19%	0.191	C	C	.	.			trans	-77.5	169.9	171.4	-63.9	0	0	0	0	110.7	D139 H237 G239	V136-D139 HydrophobicContact CG2-CB 3.68Å; V136-D139 WeakPolarHBondContact O-CB 3.41Å; V136-H237 WeakPolarHBondContact CG1-O 3.44Å; V136-G239 VanDerWaalsContact CG1-N 3.35Å
137	Y	67.3	Low	79.6	Confident	48 Å²	48	35.6 Å²	35.6	19%	0.188	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	141.1	170.7	-66.2	-75.4	0	0	0	110.2	I14 Y19 D139 C325	I14-Y137 HydrophobicContact CD1-CE1 4.24Å; I14-Y137 WeakPolarHBondContact CD1-OH 3.46Å; I14-Y137 HydrophobicContact CG2-CE1 4.11Å; Y19-Y137 HydrophobicContact CE1-CE1 4.5Å; Y137-D139 PolarHBondContact O-N 3.28Å; Y137-C325 HydrophobicContact CE2-CB 4.34Å
138	L	68.7	Low	79.8	Confident	57 Å²	57	38 Å²	38	30%	0.298	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	32.7	-176.2	-53.1	173.7	0	0	0	113.2	K18 Y19 C21 S140 W320	K18-L138 PolarHBondContact O-N 3.28Å; Y19-L138 CarbonylContact O-C 3.59Å; Y19-L138 WeakPolarHBondContact O-CA 3.35Å; Y19-L138 PolarHBondContact O-N 3.47Å; C21-L138 HydrophobicContact CB-CB 3.83Å; C21-L138 HydrophobicContact CB-CD2 3.77Å; C21-L138 HydrophobicContact CB-CG 4.39Å; L138-S140 PolarHBondContact O-N 3.04Å; L138-S140 PolarHBondContact O-OG 3.45Å; L138-S140 VanDerWaalsContact O-OG 3.11Å; L138-W320 HydrophobicContact CD1-CD2 4.49Å
139	D	74.7	Confident	80.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.174	C	C	.	.			trans	-60.1	107.9	-177.8	-170.7	6.2	0	0	0	109.7	Y19 I116 H135 V136 Y137 P141 S153 H237	Y19-D139 PolarHBondContact O-N 3.04Å; I116-D139 HydrophobicContact CD1-CB 3.92Å; H135-D139 HydrophobicContact CB-CB 4.37Å; H135-D139 IonicContact CE1-OD2 2.79Å; H135-D139 IonicContact CG-OD2 3.72Å; H135-D139 IonicContact ND1-OD2 3.55Å; H135-D139 PolarHBondContact ND1-OD2 3.38Å; V136-D139 HydrophobicContact CG2-CB 3.68Å; V136-D139 WeakPolarHBondContact O-CB 3.41Å; Y137-D139 PolarHBondContact O-N 3.28Å; D139-P141 VanDerWaalsContact C-CD 3.45Å; D139-P141 WeakPolarHBondContact O-CD 3.48Å; D139-P141 WeakPolarHBondContact OD1-CD 3.27Å; D139-S153 WeakPolarHBondContact O-CB 3.49Å; D139-S153 PolarHBondContact O-OG 3.05Å; D139-H237 IonicContact OD1-CE1 3.17Å; D139-H237 PolarHBondContact OD1-CE1 3.37Å; D139-H237 IonicContact OD1-ND1 3.66Å; D139-H237 PolarHBondContact OD1-ND1 3.34Å; D139-H237 VanDerWaalsContact OD1-ND1 3.17Å; D139-H237 IonicContact OD2-CE1 3.42Å; D139-H237 IonicContact OD2-ND1 3.49Å; D139-H237 PolarHBondContact OD2-ND1 3.01Å
140	S	83.3	Confident	80.4	Confident	8 Å²	8	34.1 Å²	34.1	6%	0.056	16%	0.156	C	C	.	.			trans	-129.8	67.6	-173.3	47.8	0	0	0	0	109.7	L138 Y142 R151 S152	L138-S140 PolarHBondContact O-N 3.04Å; L138-S140 PolarHBondContact O-OG 3.45Å; L138-S140 VanDerWaalsContact O-OG 3.11Å; S140-Y142 PolarHBondContact O-N 3.26Å; S140-R151 PolarHBondContact O-NE 3.5Å; S140-R151 VanDerWaalsContact O-NE 3.16Å; S140-R151 PolarHBondContact O-NH2 2.92Å; S140-S152 CarbonylContact C-O 3.52Å; S140-S152 WeakPolarHBondContact CA-O 3.33Å
141	P	87.6	Confident	80.8	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	15%	0.153	C	C	.	.			trans	-72.4	-16.8	-173.3	30.6	-35.3	0	0	0	112.7	I116 D139 V143 C219 D236	I116-P141 HydrophobicContact CG2-CG 3.74Å; D139-P141 VanDerWaalsContact C-CD 3.45Å; D139-P141 WeakPolarHBondContact O-CD 3.48Å; D139-P141 WeakPolarHBondContact OD1-CD 3.27Å; P141-V143 PolarHBondContact O-N 3.35Å; P141-V143 VanDerWaalsContact O-N 3.11Å; P141-C219 HydrophobicContact CB-CB 4.14Å; P141-C219 HydrophobicContact CG-CB 3.87Å; P141-D236 HydrophobicContact CB-CB 4.2Å
142	Y	91.4	Very high	81.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	83.7	-177	-53.1	-56.7	0	0	0	110.5	I116 S140 R151 S152 S153 F154 Y155 L178 C219 R220 L221	I116-Y142 PolarHBondContact O-OH 3.37Å; S140-Y142 PolarHBondContact O-N 3.26Å; Y142-R151 WeakPolarHBondContact O-CA 3.34Å; Y142-S152 VanDerWaalsContact CB-O 3.32Å; Y142-S152 WeakPolarHBondContact CB-O 3.5Å; Y142-S152 WeakPolarHBondContact CD2-O 3.33Å; Y142-S152 PolarHBondContact N-O 3.14Å; Y142-S152 VanDerWaalsContact N-O 3.13Å; Y142-S152 PolarHBondContact O-N 3.3Å; Y142-S153 VanDerWaalsContact CE2-O 3.31Å; Y142-S153 WeakPolarHBondContact CE2-O 3.47Å; Y142-F154 VanDerWaalsContact CD2-C 3.44Å; Y142-Y155 AromaticContact CD1-CD2 3.73Å; Y142-Y155 HydrophobicContact CD1-CD2 3.73Å; Y142-Y155 HydrophobicContact CD1-CG 4.49Å; Y142-Y155 VanDerWaalsContact CD2-N 3.35Å; Y142-Y155 AromaticContact CE1-CD2 3.85Å; Y142-Y155 HydrophobicContact CE1-CD2 3.85Å; Y142-Y155 HydrophobicContact CG-CD2 4.37Å; Y142-L178 HydrophobicContact CD1-CD1 4.38Å; Y142-C219 HydrophobicContact CE1-CB 4.48Å; Y142-R220 HydrophobicContact CE1-CG 3.85Å; Y142-R220 VanDerWaalsContact OH-CG 3.27Å; Y142-R220 WeakPolarHBondContact OH-CG 3.45Å; Y142-R220 PolarHBondContact OH-N 2.97Å; Y142-L221 HydrophobicContact CD1-CD2 4.29Å; Y142-L221 HydrophobicContact CE1-CD2 4.06Å; Y142-L221 HydrophobicContact CE1-CG 4.12Å
143	V	88.1	Confident	82	Confident	12 Å²	12	25.5 Å²	25.5	7%	0.073	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.9	178.4	-172.5	0	0	0	0	110.1	P141 T145 Y148 R151	P141-V143 PolarHBondContact O-N 3.35Å; P141-V143 VanDerWaalsContact O-N 3.11Å; V143-T145 PolarHBondContact O-N 2.92Å; V143-T145 VanDerWaalsContact O-N 3.1Å; V143-Y148 HydrophobicContact CG1-CD1 4.39Å; V143-R151 HydrophobicContact CB-CG 4.3Å; V143-R151 HydrophobicContact CG1-CG 4.03Å; V143-R151 HydrophobicContact CG2-CG 3.9Å; V143-R151 VanDerWaalsContact CG2-NE 3.35Å
144	C	89	Confident	82.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.			trans	-71.2	105.9	167.9	-174.4	0	0	0	0	109.7	I146 C147 Y148 F150 L158 H161 H166	C144-I146 PolarHBondContact O-N 3.27Å; C144-C147 VanDerWaalsContact SG-SG 3.66Å; C144-Y148 WeakPolarHBondContact O-CA 3.03Å; C144-Y148 PolarHBondContact O-N 3.46Å; C144-F150 HydrophobicContact CB-CB 3.92Å; C144-F150 HydrophobicContact CB-CD1 4.42Å; C144-F150 PolarHBondContact N-O 2.74Å; C144-L158 HydrophobicContact CB-CD1 3.75Å; C144-H161 VanDerWaalsContact SG-CD2 3.59Å; C144-H161 PolarHBondContact SG-NE2 3.39Å; C144-H166 VanDerWaalsContact SG-CD2 3.58Å; C144-H166 PolarHBondContact SG-NE2 3.31Å; C144-H166 VanDerWaalsContact SG-NE2 3.36Å
145	T	89.6	Confident	83	Confident	24 Å²	24	15.5 Å²	15.5	15%	0.147	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	0.1	-179.7	54	0	0	0	0	114.2	V143 Y148 L178	V143-T145 PolarHBondContact O-N 2.92Å; V143-T145 VanDerWaalsContact O-N 3.1Å; T145-Y148 WeakPolarHBondContact O-CE2 3.43Å; T145-Y148 PolarHBondContact O-OH 3.32Å; T145-L178 WeakPolarHBondContact CB-O 3.27Å; T145-L178 HydrophobicContact CG2-CB 4.26Å; T145-L178 WeakPolarHBondContact CG2-O 3.22Å; T145-L178 PolarHBondContact OG1-O 3.23Å
146	I	88.2	Confident	83.4	Confident	5 Å²	5	16.3 Å²	16.3	3%	0.026	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-59.6	171.8	-58.1	166.1	0	0	0	109.4	C144 F162 H166 H171 F173	C144-I146 PolarHBondContact O-N 3.27Å; I146-F162 HydrophobicContact CD1-CD2 3.68Å; I146-F162 HydrophobicContact CD1-CE2 3.6Å; I146-H166 HydrophobicContact CD1-CB 3.99Å; I146-H171 HydrophobicContact CD1-CB 4.05Å; I146-H171 HydrophobicContact CG1-CB 4.07Å; I146-H171 HydrophobicContact CG2-CB 3.8Å; I146-F173 HydrophobicContact CD1-CD1 3.83Å; I146-F173 HydrophobicContact CD1-CE1 4.26Å; I146-F173 HydrophobicContact CG1-CD1 4.16Å
147	C	84.6	Confident	84.2	Confident	22 Å²	22	17.2 Å²	17.2	15%	0.149	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-20.2	-177	66.9	0	0	0	0	114.7	V29 C144 G149 H161	V29-C147 WeakPolarHBondContact CG2-O 3.28Å; C144-C147 VanDerWaalsContact SG-SG 3.66Å; C147-G149 PolarHBondContact O-N 2.88Å; C147-G149 PolarHBondContact SG-N 3.37Å; C147-G149 VanDerWaalsContact SG-N 3.41Å; C147-H161 PolarHBondContact SG-NE2 3.48Å; C147-H161 VanDerWaalsContact SG-NE2 3.41Å
148	Y	83.1	Confident	85.3	Confident	53 Å²	53	15 Å²	15	21%	0.208	8%	0.079	C	C	.	.	S	Bend	trans	55.9	-4.7	-168.5	-61.9	-86.8	0	0	0	115.6	V143 C144 T145	V143-Y148 HydrophobicContact CG1-CD1 4.39Å; C144-Y148 WeakPolarHBondContact O-CA 3.03Å; C144-Y148 PolarHBondContact O-N 3.46Å; T145-Y148 WeakPolarHBondContact O-CE2 3.43Å; T145-Y148 PolarHBondContact O-OH 3.32Å
149	G	80.3	Confident	86.3	Confident	10 Å²	10	13.8 Å²	13.8	10%	0.103	7%	0.073	C	C	.	.			trans	-91.7	10.4	-179.1	0	0	0	0	0	114.8	I26 C147	I26-G149 WeakPolarHBondContact CD1-O 3.33Å; I26-G149 PolarHBondContact N-O 2.6Å; C147-G149 PolarHBondContact O-N 2.88Å; C147-G149 PolarHBondContact SG-N 3.37Å; C147-G149 VanDerWaalsContact SG-N 3.41Å
150	F	84.5	Confident	87	Confident	8 Å²	8	16 Å²	16	4%	0.035	9%	0.089	C	C	.	.			trans	-132.9	130.5	174.2	-179.1	-84.8	0	0	0	110.5	T22 L23 K24 C144 E157 L158 H161	T22-F150 HydrophobicContact CG2-CE2 4.24Å; T22-F150 HydrophobicContact CG2-CZ 4.19Å; L23-F150 WeakPolarHBondContact O-CA 3.32Å; K24-F150 HydrophobicContact CG-CD2 4.18Å; K24-F150 HydrophobicContact CG-CE2 3.93Å; C144-F150 HydrophobicContact CB-CB 3.92Å; C144-F150 HydrophobicContact CB-CD1 4.42Å; C144-F150 PolarHBondContact N-O 2.74Å; F150-E157 HydrophobicContact CZ-CB 4.01Å; F150-L158 HydrophobicContact CD1-CD1 3.91Å; F150-L158 HydrophobicContact CE1-CB 4.1Å; F150-L158 HydrophobicContact CE1-CD1 4.18Å; F150-H161 HydrophobicContact CD1-CB 3.9Å; F150-H161 AromaticContact CD1-CG 3.79Å; F150-H161 HydrophobicContact CD2-CB 3.82Å; F150-H161 AromaticContact CD2-CG 3.59Å; F150-H161 AromaticContact CD2-ND1 3.35Å; F150-H161 VanDerWaalsContact CD2-ND1 3.35Å; F150-H161 WeakPolarHBondContact CD2-ND1 3.49Å; F150-H161 HydrophobicContact CE1-CB 3.91Å; F150-H161 HydrophobicContact CE2-CB 3.8Å; F150-H161 HydrophobicContact CG-CB 3.87Å; F150-H161 AromaticContact CG-CD2 3.89Å; F150-H161 AromaticContact CG-CE1 3.96Å; F150-H161 AromaticContact CG-CG 3.41Å; F150-H161 VanDerWaalsContact CG-CG 3.41Å; F150-H161 AromaticContact CG-ND1 3.46Å; F150-H161 WeakPolarHBondContact CG-ND1 3.11Å; F150-H161 HydrophobicContact CZ-CB 3.86Å
151	R	86.6	Confident	87.4	Confident	3 Å²	3	16.8 Å²	16.8	1%	0.011	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.7	172.6	-62.8	-169.4	68.1	152.6	11.5	110.3	T22 L23 S140 Y142 V143 D236 M299	T22-R151 CarbonylContact C-O 3.37Å; T22-R151 WeakPolarHBondContact CA-O 3.33Å; L23-R151 HydrophobicContact CB-CB 4.45Å; L23-R151 PolarHBondContact N-O 3.25Å; L23-R151 PolarHBondContact O-N 3.13Å; L23-R151 VanDerWaalsContact O-N 3.09Å; S140-R151 PolarHBondContact O-NE 3.5Å; S140-R151 VanDerWaalsContact O-NE 3.16Å; S140-R151 PolarHBondContact O-NH2 2.92Å; Y142-R151 WeakPolarHBondContact O-CA 3.34Å; V143-R151 HydrophobicContact CB-CG 4.3Å; V143-R151 HydrophobicContact CG1-CG 4.03Å; V143-R151 HydrophobicContact CG2-CG 3.9Å; V143-R151 VanDerWaalsContact CG2-NE 3.35Å; R151-D236 IonicContact CZ-OD1 2.6Å; R151-D236 IonicContact NH2-OD1 2.74Å; R151-D236 PolarHBondContact NH2-OD1 3.37Å; R151-M299 VanDerWaalsContact CD-CE 3.44Å; R151-M299 HydrophobicContact CG-CE 4.06Å
152	S	86.8	Confident	87.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.9	174.8	-176.7	0	0	0	0	112.4	C21 T22 S140 Y142 F154 E157	C21-S152 CarbonylContact O-C 3.51Å; C21-S152 WeakPolarHBondContact O-CA 3.49Å; T22-S152 PolarHBondContact OG1-OG 3.24Å; S140-S152 CarbonylContact C-O 3.52Å; S140-S152 WeakPolarHBondContact CA-O 3.33Å; Y142-S152 VanDerWaalsContact CB-O 3.32Å; Y142-S152 WeakPolarHBondContact CB-O 3.5Å; Y142-S152 WeakPolarHBondContact CD2-O 3.33Å; Y142-S152 PolarHBondContact N-O 3.14Å; Y142-S152 VanDerWaalsContact N-O 3.13Å; Y142-S152 PolarHBondContact O-N 3.3Å; S152-F154 PolarHBondContact OG-N 3.42Å; S152-F154 PolarHBondContact OG-O 3Å; S152-E157 WeakPolarHBondContact CB-OE2 3.13Å; S152-E157 PolarHBondContact OG-OE2 3.42Å
153	S	85.4	Confident	87.7	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-74.8	-11.4	162.4	-60.1	0	0	0	0	113.2	Y20 C21 I116 D139 Y142	Y20-S153 VanDerWaalsContact CA-OG 3.25Å; Y20-S153 WeakPolarHBondContact CA-OG 3.33Å; C21-S153 PolarHBondContact N-OG 3.07Å; C21-S153 PolarHBondContact O-N 2.88Å; C21-S153 PolarHBondContact O-OG 3.42Å; I116-S153 WeakPolarHBondContact CA-O 2.83Å; D139-S153 WeakPolarHBondContact O-CB 3.49Å; D139-S153 PolarHBondContact O-OG 3.05Å; Y142-S153 VanDerWaalsContact CE2-O 3.31Å; Y142-S153 WeakPolarHBondContact CE2-O 3.47Å
154	F	86.2	Confident	87.8	Confident	29 Å²	29	25.5 Å²	25.5	13%	0.127	13%	0.13	C	C	.	.			trans	-117.7	124.8	-175.1	-51.3	-90.1	0	0	0	111	Y20 V99 H102 P115 Y142 S152 C156 E157 L158	Y20-F154 HydrophobicContact CG-CZ 4.15Å; V99-F154 HydrophobicContact CG1-CD1 4.37Å; H102-F154 AromaticContact CE1-CD1 3.38Å; H102-F154 WeakPolarHBondContact CE1-CD1 3.47Å; H102-F154 AromaticContact CE1-CE1 3.87Å; H102-F154 AromaticContact CE1-CG 3.48Å; H102-F154 VanDerWaalsContact CE1-CG 3.48Å; H102-F154 WeakPolarHBondContact CE1-CG 3.36Å; H102-F154 AromaticContact ND1-CD1 3.61Å; H102-F154 AromaticContact ND1-CE1 3.59Å; P115-F154 HydrophobicContact CB-CD1 3.48Å; P115-F154 VanDerWaalsContact CB-CD1 3.48Å; P115-F154 HydrophobicContact CB-CE1 3.26Å; P115-F154 HydrophobicContact CB-CZ 4.35Å; P115-F154 HydrophobicContact CG-CE1 3.92Å; Y142-F154 VanDerWaalsContact CD2-C 3.44Å; S152-F154 PolarHBondContact OG-N 3.42Å; S152-F154 PolarHBondContact OG-O 3Å; F154-C156 PolarHBondContact O-N 2.8Å; F154-E157 HydrophobicContact CB-CB 4.33Å; F154-E157 HydrophobicContact CB-CG 3.93Å; F154-E157 PolarHBondContact O-N 2.69Å; F154-L158 PolarHBondContact O-N 2.92Å
155	Y	88.8	Confident	87.9	Confident	12 Å²	12	29.1 Å²	29.1	5%	0.047	16%	0.155	C	C	.	.	H	α-helix	trans	-67.4	-37.1	-179.5	-177	-88.5	0	0	0	112.6	Y142 E157 L158 M159 P175 L178 R220	Y142-Y155 AromaticContact CD1-CD2 3.73Å; Y142-Y155 HydrophobicContact CD1-CD2 3.73Å; Y142-Y155 HydrophobicContact CD1-CG 4.49Å; Y142-Y155 VanDerWaalsContact CD2-N 3.35Å; Y142-Y155 AromaticContact CE1-CD2 3.85Å; Y142-Y155 HydrophobicContact CE1-CD2 3.85Å; Y142-Y155 HydrophobicContact CG-CD2 4.37Å; Y155-E157 VanDerWaalsContact C-N 3.27Å; Y155-E157 PolarHBondContact O-N 2.75Å; Y155-L158 WeakPolarHBondContact O-CB 3.3Å; Y155-L158 PolarHBondContact O-N 3.48Å; Y155-L158 VanDerWaalsContact O-N 3.11Å; Y155-M159 HydrophobicContact CD1-CG 3.78Å; Y155-M159 HydrophobicContact CE1-CG 3.35Å; Y155-M159 HydrophobicContact CE1-SD 3.8Å; Y155-M159 PolarHBondContact O-N 3.18Å; Y155-P175 WeakPolarHBondContact OH-CA 3.35Å; Y155-P175 VanDerWaalsContact OH-CB 3.27Å; Y155-P175 WeakPolarHBondContact OH-CB 3.39Å; Y155-P175 PolarHBondContact OH-O 2.79Å; Y155-L178 HydrophobicContact CE2-CD2 4.21Å; Y155-R220 HydrophobicContact CD2-CG 4.35Å
156	C	85	Confident	88	Confident	26 Å²	26	28.8 Å²	28.8	18%	0.176	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-39.1	176.7	52.6	0	0	0	0	112.4	E100 H102 F154 M159 S160	E100-C156 HydrophobicContact CG-CB 3.96Å; H102-C156 VanDerWaalsContact CE1-SG 3.59Å; H102-C156 PolarHBondContact NE2-SG 3.31Å; F154-C156 PolarHBondContact O-N 2.8Å; C156-M159 PolarHBondContact O-N 2.54Å; C156-S160 PolarHBondContact O-N 3.48Å
157	E	88.4	Confident	88.2	Confident	43 Å²	43	33 Å²	33	20%	0.201	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-37.2	176.7	-65.3	-170.2	147.8	0	0	112.1	T22 F150 S152 F154 Y155 M159 S160 H161	T22-E157 WeakPolarHBondContact CB-OE2 3.45Å; T22-E157 WeakPolarHBondContact CG2-OE2 3.37Å; T22-E157 PolarHBondContact OG1-OE2 3.19Å; F150-E157 HydrophobicContact CZ-CB 4.01Å; S152-E157 WeakPolarHBondContact CB-OE2 3.13Å; S152-E157 PolarHBondContact OG-OE2 3.42Å; F154-E157 HydrophobicContact CB-CB 4.33Å; F154-E157 HydrophobicContact CB-CG 3.93Å; F154-E157 PolarHBondContact O-N 2.69Å; Y155-E157 VanDerWaalsContact C-N 3.27Å; Y155-E157 PolarHBondContact O-N 2.75Å; E157-M159 VanDerWaalsContact C-N 3.3Å; E157-M159 PolarHBondContact O-N 3.41Å; E157-S160 PolarHBondContact O-N 2.86Å; E157-H161 WeakPolarHBondContact O-CB 3.34Å; E157-H161 PolarHBondContact O-N 3.05Å
158	L	90.6	Very high	88.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-39.7	172.3	175.2	63.6	0	0	0	111.4	C144 F150 F154 Y155 H161 F162 F173 L178	C144-L158 HydrophobicContact CB-CD1 3.75Å; F150-L158 HydrophobicContact CD1-CD1 3.91Å; F150-L158 HydrophobicContact CE1-CB 4.1Å; F150-L158 HydrophobicContact CE1-CD1 4.18Å; F154-L158 PolarHBondContact O-N 2.92Å; Y155-L158 WeakPolarHBondContact O-CB 3.3Å; Y155-L158 PolarHBondContact O-N 3.48Å; Y155-L158 VanDerWaalsContact O-N 3.11Å; L158-H161 PolarHBondContact O-N 3.23Å; L158-F162 PolarHBondContact O-N 2.92Å; L158-F173 HydrophobicContact CD1-CZ 4.45Å; L158-F173 HydrophobicContact CD2-CZ 4.4Å; L158-F173 HydrophobicContact CG-CZ 4.16Å; L158-L178 HydrophobicContact CD2-CD1 3.72Å; L158-L178 HydrophobicContact CD2-CD2 3.63Å; L158-L178 HydrophobicContact CD2-CG 4.34Å
159	M	90.1	Very high	89.1	Confident	33 Å²	33	31.8 Å²	31.8	16%	0.163	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-33.4	176.4	-67.1	-51.4	-57.1	0	0	113	L54 Y155 C156 E157 F162 R163 F173	L54-M159 HydrophobicContact CD2-CE 3.45Å; L54-M159 VanDerWaalsContact CD2-CE 3.45Å; Y155-M159 HydrophobicContact CD1-CG 3.78Å; Y155-M159 HydrophobicContact CE1-CG 3.35Å; Y155-M159 HydrophobicContact CE1-SD 3.8Å; Y155-M159 PolarHBondContact O-N 3.18Å; C156-M159 PolarHBondContact O-N 2.54Å; E157-M159 VanDerWaalsContact C-N 3.3Å; E157-M159 PolarHBondContact O-N 3.41Å; M159-F162 HydrophobicContact CE-CD1 4.44Å; M159-R163 PolarHBondContact O-N 3.21Å; M159-F173 HydrophobicContact SD-CE2 4.04Å; M159-F173 HydrophobicContact SD-CZ 4.14Å
160	S	90	Very high	89.8	Confident	48 Å²	48	31.4 Å²	31.4	34%	0.336	16%	0.164	S	C	.	.	H	α-helix	trans	-64.7	-52	169.4	-161.7	0	0	0	0	110.4	C156 E157 F162 R163 D164	C156-S160 PolarHBondContact O-N 3.48Å; E157-S160 PolarHBondContact O-N 2.86Å; S160-F162 VanDerWaalsContact C-N 3.27Å; S160-F162 PolarHBondContact O-N 3.36Å; S160-R163 CarbonylContact O-C 3.55Å; S160-R163 WeakPolarHBondContact O-CA 3.21Å; S160-R163 WeakPolarHBondContact O-CB 3.48Å; S160-R163 PolarHBondContact O-N 3.28Å; S160-D164 WeakPolarHBondContact O-CB 3.44Å; S160-D164 PolarHBondContact O-N 3.04Å; S160-D164 VanDerWaalsContact O-OD2 3.04Å; S160-D164 PolarHBondContact OG-OD2 2.79Å
161	H	91.3	Very high	90.2	Very high	23 Å²	23	31.3 Å²	31.3	11%	0.106	16%	0.163	C	C	.	.	H	α-helix	trans	-52.3	-44.4	177	171.7	81.3	0	0	0	112.4	C144 C147 F150 E157 L158 R163 D164 C165 H166	C144-H161 VanDerWaalsContact SG-CD2 3.59Å; C144-H161 PolarHBondContact SG-NE2 3.39Å; C147-H161 PolarHBondContact SG-NE2 3.48Å; C147-H161 VanDerWaalsContact SG-NE2 3.41Å; F150-H161 HydrophobicContact CD1-CB 3.9Å; F150-H161 AromaticContact CD1-CG 3.79Å; F150-H161 HydrophobicContact CD2-CB 3.82Å; F150-H161 AromaticContact CD2-CG 3.59Å; F150-H161 AromaticContact CD2-ND1 3.35Å; F150-H161 VanDerWaalsContact CD2-ND1 3.35Å; F150-H161 WeakPolarHBondContact CD2-ND1 3.49Å; F150-H161 HydrophobicContact CE1-CB 3.91Å; F150-H161 HydrophobicContact CE2-CB 3.8Å; F150-H161 HydrophobicContact CG-CB 3.87Å; F150-H161 AromaticContact CG-CD2 3.89Å; F150-H161 AromaticContact CG-CE1 3.96Å; F150-H161 AromaticContact CG-CG 3.41Å; F150-H161 VanDerWaalsContact CG-CG 3.41Å; F150-H161 AromaticContact CG-ND1 3.46Å; F150-H161 WeakPolarHBondContact CG-ND1 3.11Å; F150-H161 HydrophobicContact CZ-CB 3.86Å; E157-H161 WeakPolarHBondContact O-CB 3.34Å; E157-H161 PolarHBondContact O-N 3.05Å; L158-H161 PolarHBondContact O-N 3.23Å; H161-R163 VanDerWaalsContact C-N 3.33Å; H161-R163 PolarHBondContact O-N 3.47Å; H161-D164 PolarHBondContact O-N 3.11Å; H161-C165 VanDerWaalsContact CE1-SG 3.57Å; H161-C165 WeakPolarHBondContact O-CB 3.41Å; H161-C165 PolarHBondContact O-N 3.09Å; H161-H166 AromaticContact CD2-CD2 3.94Å; H161-H166 AromaticContact NE2-CD2 3.52Å; H161-H166 AromaticContact NE2-NE2 3.18Å; H161-H166 PolarHBondContact NE2-NE2 3.33Å; H161-H166 VanDerWaalsContact NE2-NE2 3.18Å
162	F	92.1	Very high	90.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-43	176.3	177.2	-116.9	0	0	0	112.5	N50 V51 L54 I146 L158 M159 S160 H166 H167 I172 F173	N50-F162 HydrophobicContact CB-CZ 4.2Å; V51-F162 HydrophobicContact CB-CE1 4.35Å; V51-F162 HydrophobicContact CG2-CD1 4.06Å; V51-F162 HydrophobicContact CG2-CE1 3.77Å; V51-F162 HydrophobicContact CG2-CZ 4.43Å; L54-F162 HydrophobicContact CD2-CE1 4.45Å; I146-F162 HydrophobicContact CD1-CD2 3.68Å; I146-F162 HydrophobicContact CD1-CE2 3.6Å; L158-F162 PolarHBondContact O-N 2.92Å; M159-F162 HydrophobicContact CE-CD1 4.44Å; S160-F162 VanDerWaalsContact C-N 3.27Å; S160-F162 PolarHBondContact O-N 3.36Å; F162-H166 HydrophobicContact CD2-CB 3.62Å; F162-H166 HydrophobicContact CE2-CB 3.85Å; F162-H166 CarbonylContact O-C 3.49Å; F162-H166 WeakPolarHBondContact O-CA 3.41Å; F162-H166 WeakPolarHBondContact O-CB 3.17Å; F162-H166 PolarHBondContact O-N 2.9Å; F162-H167 PolarHBondContact O-N 3.07Å; F162-I172 HydrophobicContact CZ-CG1 4.26Å; F162-F173 HydrophobicContact CB-CE1 3.82Å; F162-F173 HydrophobicContact CB-CZ 3.84Å; F162-F173 HydrophobicContact CD1-CZ 4.49Å; F162-F173 HydrophobicContact CD2-CD1 4.21Å; F162-F173 AromaticContact CD2-CE1 3.58Å; F162-F173 HydrophobicContact CD2-CE1 3.58Å; F162-F173 HydrophobicContact CD2-CZ 4.24Å; F162-F173 HydrophobicContact CE2-CE1 4.35Å; F162-F173 AromaticContact CG-CE1 3.75Å; F162-F173 HydrophobicContact CG-CE1 3.75Å; F162-F173 AromaticContact CG-CZ 3.94Å; F162-F173 HydrophobicContact CG-CZ 3.94Å
163	R	92.2	Very high	91	Very high	100 Å²	100	31.2 Å²	31.2	38%	0.377	16%	0.163	S	C	.	.	H	α-helix	trans	-67.8	-38.8	177.6	-166.7	-175.2	-6.5	-82.9	-0.7	111.8	V51 M159 S160 H161 H167	V51-R163 HydrophobicContact CG1-CG 4.17Å; V51-R163 HydrophobicContact CG2-CB 4.45Å; V51-R163 HydrophobicContact CG2-CG 4.35Å; M159-R163 PolarHBondContact O-N 3.21Å; S160-R163 CarbonylContact O-C 3.55Å; S160-R163 WeakPolarHBondContact O-CA 3.21Å; S160-R163 WeakPolarHBondContact O-CB 3.48Å; S160-R163 PolarHBondContact O-N 3.28Å; H161-R163 VanDerWaalsContact C-N 3.33Å; H161-R163 PolarHBondContact O-N 3.47Å; R163-H167 VanDerWaalsContact O-CB 3.25Å; R163-H167 WeakPolarHBondContact O-CB 3.4Å; R163-H167 PolarHBondContact O-ND1 3.43Å
164	D	92.1	Very high	91.4	Very high	96 Å²	96	31.2 Å²	31.2	51%	0.513	16%	0.163	S	C	.	.	H	α-helix	trans	-80.9	-41.3	-173.1	-57.6	-28.8	0	0	0	111.1	S160 H161 H167	S160-D164 WeakPolarHBondContact O-CB 3.44Å; S160-D164 PolarHBondContact O-N 3.04Å; S160-D164 VanDerWaalsContact O-OD2 3.04Å; S160-D164 PolarHBondContact OG-OD2 2.79Å; H161-D164 PolarHBondContact O-N 3.11Å; D164-H167 PolarHBondContact O-ND1 3.48Å
165	C	91	Very high	91.5	Very high	77 Å²	77	30 Å²	30	52%	0.52	16%	0.158	S	C	.	.	H	α-helix	trans	-104.8	-18.4	-172.1	-60.5	0	0	0	0	115.3	H161	H161-C165 VanDerWaalsContact CE1-SG 3.57Å; H161-C165 WeakPolarHBondContact O-CB 3.41Å; H161-C165 PolarHBondContact O-N 3.09Å
166	H	91.7	Very high	91.5	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-128.6	8.2	-172.8	-61.5	-52	0	0	0	114.1	N50 C144 I146 H161 F162 T169	N50-H166 PolarHBondContact ND2-O 3.4Å; C144-H166 VanDerWaalsContact SG-CD2 3.58Å; C144-H166 PolarHBondContact SG-NE2 3.31Å; C144-H166 VanDerWaalsContact SG-NE2 3.36Å; I146-H166 HydrophobicContact CD1-CB 3.99Å; H161-H166 AromaticContact CD2-CD2 3.94Å; H161-H166 AromaticContact NE2-CD2 3.52Å; H161-H166 AromaticContact NE2-NE2 3.18Å; H161-H166 PolarHBondContact NE2-NE2 3.33Å; H161-H166 VanDerWaalsContact NE2-NE2 3.18Å; F162-H166 HydrophobicContact CD2-CB 3.62Å; F162-H166 HydrophobicContact CE2-CB 3.85Å; F162-H166 CarbonylContact O-C 3.49Å; F162-H166 WeakPolarHBondContact O-CA 3.41Å; F162-H166 WeakPolarHBondContact O-CB 3.17Å; F162-H166 PolarHBondContact O-N 2.9Å; H166-T169 PolarHBondContact O-OG1 3.21Å
167	H	92.4	Very high	91.9	Very high	94 Å²	94	29.3 Å²	29.3	44%	0.435	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	148.2	177.3	64.1	-88.2	0	0	0	112.1	N50 V51 F162 R163 D164 T169	N50-H167 WeakPolarHBondContact OD1-CA 3.38Å; V51-H167 HydrophobicContact CG2-CB 4.13Å; F162-H167 PolarHBondContact O-N 3.07Å; R163-H167 VanDerWaalsContact O-CB 3.25Å; R163-H167 WeakPolarHBondContact O-CB 3.4Å; R163-H167 PolarHBondContact O-ND1 3.43Å; D164-H167 PolarHBondContact O-ND1 3.48Å; H167-T169 PolarHBondContact O-N 3.32Å
168	T	91.5	Very high	92.1	Very high	40 Å²	40	27.7 Å²	27.7	25%	0.245	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	16	175.4	63.4	0	0	0	0	115.6	H36 G37 D49 N50	H36-T168 VanDerWaalsContact CA-O 3.29Å; H36-T168 WeakPolarHBondContact CA-O 3.17Å; G37-T168 PolarHBondContact N-O 3.46Å; D49-T168 HydrophobicContact CB-CG2 3.82Å; N50-T168 PolarHBondContact OD1-N 3.19Å
169	T	93.6	Very high	92.2	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.049	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-95.2	163.8	176	66.6	0	0	0	0	112.2	L35 N50 H166 H167 H171	L35-T169 CarbonylContact O-C 3.56Å; L35-T169 WeakPolarHBondContact O-CA 3.17Å; N50-T169 PolarHBondContact ND2-O 3.49Å; N50-T169 PolarHBondContact ND2-OG1 3.25Å; H166-T169 PolarHBondContact O-OG1 3.21Å; H167-T169 PolarHBondContact O-N 3.32Å; T169-H171 PolarHBondContact O-N 2.81Å; T169-H171 VanDerWaalsContact O-N 3.16Å; T169-H171 PolarHBondContact OG1-N 2.95Å
170	N	94.8	Very high	92.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	17%	0.173	C	C	.	.	S	Bend	trans	-72.5	7.3	171.6	70.4	-51.5	0	0	0	114.3	L35 E182 L183 F196	L35-N170 HydrophobicContact CB-CB 4.25Å; L35-N170 PolarHBondContact N-OD1 3.44Å; L35-N170 PolarHBondContact O-N 3.34Å; N170-E182 WeakPolarHBondContact ND2-CG 3.41Å; N170-L183 WeakPolarHBondContact O-CB 3.16Å; N170-L183 WeakPolarHBondContact O-CG 3.31Å; N170-L183 PolarHBondContact O-N 3.13Å; N170-F196 HydrophobicContact CB-CD1 3.68Å; N170-F196 HydrophobicContact CB-CD2 4.02Å; N170-F196 HydrophobicContact CB-CE1 3.39Å; N170-F196 HydrophobicContact CB-CE2 3.71Å; N170-F196 HydrophobicContact CB-CG 4.01Å; N170-F196 HydrophobicContact CB-CZ 3.43Å; N170-F196 VanDerWaalsContact CB-CZ 3.43Å
171	H	94.3	Very high	92.6	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.5	-179.3	-61.9	-67	0	0	0	111.2	S34 N50 I146 T169 H180	S34-H171 PolarHBondContact OG-CD2 3.48Å; N50-H171 PolarHBondContact ND2-O 3.18Å; I146-H171 HydrophobicContact CD1-CB 4.05Å; I146-H171 HydrophobicContact CG1-CB 4.07Å; I146-H171 HydrophobicContact CG2-CB 3.8Å; T169-H171 PolarHBondContact O-N 2.81Å; T169-H171 VanDerWaalsContact O-N 3.16Å; T169-H171 PolarHBondContact OG1-N 2.95Å; H171-H180 AromaticContact CG-NE2 3.91Å; H171-H180 AromaticContact ND1-CE1 3.84Å; H171-H180 AromaticContact ND1-NE2 3.23Å; H171-H180 PolarHBondContact ND1-NE2 3.27Å
172	I	95	Very high	92.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.4	176.6	-167.2	166.6	0	0	0	109	F53 L54 F162 F181 L183 F201	F53-I172 HydrophobicContact CD1-CD1 3.77Å; F53-I172 HydrophobicContact CE1-CD1 4.31Å; L54-I172 HydrophobicContact CB-CD1 4.38Å; L54-I172 HydrophobicContact CD1-CD1 4.21Å; F162-I172 HydrophobicContact CZ-CG1 4.26Å; I172-F181 HydrophobicContact CG2-CB 3.92Å; I172-F181 PolarHBondContact N-O 2.84Å; I172-F181 PolarHBondContact O-N 3.44Å; I172-L183 HydrophobicContact CG2-CD1 4.08Å; I172-L183 HydrophobicContact CG2-CD2 3.79Å; I172-L183 HydrophobicContact CG2-CG 3.98Å; I172-F201 HydrophobicContact CD1-CE1 4.12Å; I172-F201 HydrophobicContact CD1-CE2 4.06Å; I172-F201 HydrophobicContact CD1-CZ 3.82Å; I172-F201 HydrophobicContact CG1-CD2 4.49Å; I172-F201 HydrophobicContact CG1-CE2 3.94Å; I172-F201 HydrophobicContact CG1-CZ 4.14Å; I172-F201 HydrophobicContact CG2-CD2 3.6Å; I172-F201 HydrophobicContact CG2-CE2 3.9Å; I172-F201 HydrophobicContact CG2-CG 4.12Å
173	F	93.8	Very high	92.9	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.1	169.4	57.1	-105.1	0	0	0	111	I146 L158 M159 F162 L178 K179	I146-F173 HydrophobicContact CD1-CD1 3.83Å; I146-F173 HydrophobicContact CD1-CE1 4.26Å; I146-F173 HydrophobicContact CG1-CD1 4.16Å; L158-F173 HydrophobicContact CD1-CZ 4.45Å; L158-F173 HydrophobicContact CD2-CZ 4.4Å; L158-F173 HydrophobicContact CG-CZ 4.16Å; M159-F173 HydrophobicContact SD-CE2 4.04Å; M159-F173 HydrophobicContact SD-CZ 4.14Å; F162-F173 HydrophobicContact CB-CE1 3.82Å; F162-F173 HydrophobicContact CB-CZ 3.84Å; F162-F173 HydrophobicContact CD1-CZ 4.49Å; F162-F173 HydrophobicContact CD2-CD1 4.21Å; F162-F173 AromaticContact CD2-CE1 3.58Å; F162-F173 HydrophobicContact CD2-CE1 3.58Å; F162-F173 HydrophobicContact CD2-CZ 4.24Å; F162-F173 HydrophobicContact CE2-CE1 4.35Å; F162-F173 AromaticContact CG-CE1 3.75Å; F162-F173 HydrophobicContact CG-CE1 3.75Å; F162-F173 AromaticContact CG-CZ 3.94Å; F162-F173 HydrophobicContact CG-CZ 3.94Å; F173-L178 HydrophobicContact CD2-CD2 3.7Å; F173-L178 HydrophobicContact CE2-CD2 3.81Å; F173-K179 CarbonylContact C-O 3.55Å; F173-K179 WeakPolarHBondContact CA-O 3.13Å
174	C	93.8	Very high	93.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.			trans	-66.9	128.9	174.9	179.4	0	0	0	0	109.8	Y176 C177 L178 K179 F181 F201 H204	C174-Y176 PolarHBondContact O-N 2.9Å; C174-C177 VanDerWaalsContact SG-SG 3.67Å; C174-L178 WeakPolarHBondContact O-CA 3.27Å; C174-L178 PolarHBondContact O-N 3.25Å; C174-K179 HydrophobicContact CB-CB 4.36Å; C174-K179 PolarHBondContact N-O 3.12Å; C174-F181 HydrophobicContact CB-CE2 4.39Å; C174-F201 HydrophobicContact CB-CE2 4.45Å; C174-H204 VanDerWaalsContact CB-NE2 3.26Å; C174-H204 WeakPolarHBondContact CB-NE2 3.45Å; C174-H204 PolarHBondContact SG-NE2 3.12Å
175	P	90.1	Very high	93.2	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.032	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.9	-175.9	31.4	-33.1	0	0	0	112.7	L54 L58 L81 Y155	L54-P175 HydrophobicContact CD1-CB 4.19Å; L54-P175 HydrophobicContact CD1-CG 3.74Å; L54-P175 HydrophobicContact CD2-CB 4.47Å; L54-P175 HydrophobicContact CG-CG 4.46Å; L58-P175 HydrophobicContact CD1-CG 4.45Å; L58-P175 HydrophobicContact CD2-CG 4.34Å; L81-P175 HydrophobicContact CD1-CB 3.48Å; L81-P175 VanDerWaalsContact CD1-CB 3.48Å; L81-P175 HydrophobicContact CD1-CG 3.42Å; L81-P175 VanDerWaalsContact CD1-CG 3.42Å; Y155-P175 WeakPolarHBondContact OH-CA 3.35Å; Y155-P175 VanDerWaalsContact OH-CB 3.27Å; Y155-P175 WeakPolarHBondContact OH-CB 3.39Å; Y155-P175 PolarHBondContact OH-O 2.79Å
176	Y	88.7	Confident	93.3	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.035	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-48.2	175.9	-63.8	-90	0	0	0	113	L58 F76 L81 C174 V205 H208 W209 L221 D222	L58-Y176 HydrophobicContact CD2-CE2 3.87Å; F76-Y176 HydrophobicContact CE2-CE1 4.47Å; F76-Y176 HydrophobicContact CZ-CE1 4.04Å; F76-Y176 WeakPolarHBondContact CZ-OH 3.35Å; L81-Y176 HydrophobicContact CB-CD1 3.82Å; L81-Y176 HydrophobicContact CB-CE1 3.42Å; L81-Y176 VanDerWaalsContact CB-CE1 3.42Å; L81-Y176 HydrophobicContact CD1-CD1 4.21Å; L81-Y176 HydrophobicContact CD1-CD2 4.03Å; L81-Y176 HydrophobicContact CD1-CE1 4.07Å; L81-Y176 HydrophobicContact CD1-CE2 3.83Å; L81-Y176 HydrophobicContact CD1-CG 4.2Å; L81-Y176 HydrophobicContact CG-CE1 4.24Å; L81-Y176 WeakPolarHBondContact O-CE1 3.36Å; C174-Y176 PolarHBondContact O-N 2.9Å; Y176-V205 HydrophobicContact CD2-CG1 4.06Å; Y176-V205 HydrophobicContact CE2-CG1 3.62Å; Y176-H208 HydrophobicContact CD1-CB 4.43Å; Y176-H208 HydrophobicContact CD2-CB 4.36Å; Y176-H208 AromaticContact CD2-CD2 3.95Å; Y176-H208 HydrophobicContact CG-CB 4.31Å; Y176-H208 AromaticContact CG-CG 3.87Å; Y176-W209 AromaticContact CZ-NE1 3.64Å; Y176-W209 PolarHBondContact OH-NE1 3.25Å; Y176-L221 CarbonylContact O-C 3.46Å; Y176-L221 VanDerWaalsContact O-CA 3.27Å; Y176-L221 WeakPolarHBondContact O-CA 3.41Å; Y176-L221 WeakPolarHBondContact O-CD2 3.48Å; Y176-D222 CarbonylContact C-O 3.58Å; Y176-D222 PolarHBondContact O-N 3.14Å
177	C	92.4	Very high	93.4	Very high	14 Å²	14	40.5 Å²	40.5	10%	0.095	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-0	-171.8	62.6	0	0	0	0	114.9	C174 K179 H204 D222 F223	C174-C177 VanDerWaalsContact SG-SG 3.67Å; C177-K179 PolarHBondContact O-N 2.69Å; C177-K179 VanDerWaalsContact O-N 3.09Å; C177-K179 WeakPolarHBondContact SG-CB 3.03Å; C177-H204 VanDerWaalsContact SG-CE1 3.54Å; C177-H204 PolarHBondContact SG-NE2 2.94Å; C177-D222 WeakPolarHBondContact CB-O 3.48Å; C177-F223 HydrophobicContact CB-CD1 3.63Å; C177-F223 HydrophobicContact CB-CE1 3.86Å; C177-F223 HydrophobicContact CB-CG 4.31Å
178	L	93.4	Very high	93.3	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.047	21%	0.21	C	C	.	.			trans	58.4	15	-173.9	-53.7	-177.5	0	0	0	115.1	Y142 T145 Y155 L158 F173 C174 H180 L221	Y142-L178 HydrophobicContact CD1-CD1 4.38Å; T145-L178 WeakPolarHBondContact CB-O 3.27Å; T145-L178 HydrophobicContact CG2-CB 4.26Å; T145-L178 WeakPolarHBondContact CG2-O 3.22Å; T145-L178 PolarHBondContact OG1-O 3.23Å; Y155-L178 HydrophobicContact CE2-CD2 4.21Å; L158-L178 HydrophobicContact CD2-CD1 3.72Å; L158-L178 HydrophobicContact CD2-CD2 3.63Å; L158-L178 HydrophobicContact CD2-CG 4.34Å; F173-L178 HydrophobicContact CD2-CD2 3.7Å; F173-L178 HydrophobicContact CE2-CD2 3.81Å; C174-L178 WeakPolarHBondContact O-CA 3.27Å; C174-L178 PolarHBondContact O-N 3.25Å; L178-H180 PolarHBondContact O-N 2.91Å; L178-L221 HydrophobicContact CD1-CD1 3.81Å; L178-L221 HydrophobicContact CD1-CD2 4Å; L178-L221 HydrophobicContact CD2-CD2 4.32Å; L178-L221 HydrophobicContact CG-CD1 4.06Å; L178-L221 HydrophobicContact CG-CD2 3.72Å
179	K	92.1	Very high	93	Very high	102 Å²	102	41.9 Å²	41.9	44%	0.443	22%	0.219	S	C	.	.			trans	-59.8	123.1	174.3	-177.5	175.5	177.7	-179.9	0	110.3	F173 C174 C177 F181	F173-K179 CarbonylContact C-O 3.55Å; F173-K179 WeakPolarHBondContact CA-O 3.13Å; C174-K179 HydrophobicContact CB-CB 4.36Å; C174-K179 PolarHBondContact N-O 3.12Å; C177-K179 PolarHBondContact O-N 2.69Å; C177-K179 VanDerWaalsContact O-N 3.09Å; C177-K179 WeakPolarHBondContact SG-CB 3.03Å; K179-F181 HydrophobicContact CB-CE2 3.98Å; K179-F181 HydrophobicContact CD-CE2 3.91Å; K179-F181 HydrophobicContact CD-CZ 3.74Å; K179-F181 HydrophobicContact CG-CD2 4.45Å; K179-F181 HydrophobicContact CG-CE2 3.69Å; K179-F181 HydrophobicContact CG-CZ 4.02Å; K179-F181 VanDerWaalsContact O-CD2 3.22Å; K179-F181 WeakPolarHBondContact O-CD2 3.18Å; K179-F181 WeakPolarHBondContact O-CE2 3.32Å
180	H	93.3	Very high	92.1	Very high	60 Å²	60	48.5 Å²	48.5	28%	0.278	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.7	177.1	169	-96.1	0	0	0	111.9	H171 L178	H171-H180 AromaticContact CG-NE2 3.91Å; H171-H180 AromaticContact ND1-CE1 3.84Å; H171-H180 AromaticContact ND1-NE2 3.23Å; H171-H180 PolarHBondContact ND1-NE2 3.27Å; L178-H180 PolarHBondContact O-N 2.91Å
181	F	94.8	Very high	91.4	Very high	28 Å²	28	57.2 Å²	57.2	12%	0.123	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.7	171.7	-67.8	-97.5	0	0	0	109.3	I172 C174 K179 L183 F201 H204	I172-F181 HydrophobicContact CG2-CB 3.92Å; I172-F181 PolarHBondContact N-O 2.84Å; I172-F181 PolarHBondContact O-N 3.44Å; C174-F181 HydrophobicContact CB-CE2 4.39Å; K179-F181 HydrophobicContact CB-CE2 3.98Å; K179-F181 HydrophobicContact CD-CE2 3.91Å; K179-F181 HydrophobicContact CD-CZ 3.74Å; K179-F181 HydrophobicContact CG-CD2 4.45Å; K179-F181 HydrophobicContact CG-CE2 3.69Å; K179-F181 HydrophobicContact CG-CZ 4.02Å; K179-F181 VanDerWaalsContact O-CD2 3.22Å; K179-F181 WeakPolarHBondContact O-CD2 3.18Å; K179-F181 WeakPolarHBondContact O-CE2 3.32Å; F181-L183 HydrophobicContact CB-CD2 4.38Å; F181-F201 HydrophobicContact CB-CD2 4.26Å; F181-F201 HydrophobicContact CD1-CB 4.31Å; F181-F201 AromaticContact CD2-CD2 3.6Å; F181-F201 HydrophobicContact CD2-CD2 3.6Å; F181-F201 HydrophobicContact CD2-CE2 4.27Å; F181-F201 HydrophobicContact CE2-CD2 4.1Å; F181-F201 HydrophobicContact CG-CB 4.28Å; F181-F201 AromaticContact CG-CD2 3.91Å; F181-F201 HydrophobicContact CG-CD2 3.91Å; F181-H204 HydrophobicContact CE1-CB 4.06Å; F181-H204 HydrophobicContact CE2-CB 4.36Å; F181-H204 AromaticContact CE2-CD2 3.39Å; F181-H204 WeakPolarHBondContact CE2-CD2 3.25Å; F181-H204 AromaticContact CE2-CG 3.94Å; F181-H204 AromaticContact CE2-NE2 3.99Å; F181-H204 HydrophobicContact CZ-CB 3.5Å; F181-H204 AromaticContact CZ-CD2 3.35Å; F181-H204 WeakPolarHBondContact CZ-CD2 3.39Å; F181-H204 AromaticContact CZ-CG 3.38Å
182	E	94.5	Very high	90.8	Very high	132 Å²	132	59.4 Å²	59.4	62%	0.617	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	117.6	160.9	-174.7	175.2	178.6	0	0	108.4	N170	N170-E182 WeakPolarHBondContact ND2-CG 3.41Å
183	L	95.7	Very high	90.5	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.037	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-81.6	126.8	-177.9	-55	-179.8	0	0	0	109.5	V39 N170 I172 F181 F196 A198 F201	V39-L183 HydrophobicContact CB-CD1 4.37Å; V39-L183 HydrophobicContact CG1-CD1 3.88Å; V39-L183 HydrophobicContact CG2-CD1 3.57Å; N170-L183 WeakPolarHBondContact O-CB 3.16Å; N170-L183 WeakPolarHBondContact O-CG 3.31Å; N170-L183 PolarHBondContact O-N 3.13Å; I172-L183 HydrophobicContact CG2-CD1 4.08Å; I172-L183 HydrophobicContact CG2-CD2 3.79Å; I172-L183 HydrophobicContact CG2-CG 3.98Å; F181-L183 HydrophobicContact CB-CD2 4.38Å; L183-F196 HydrophobicContact CB-CB 3.6Å; L183-F196 HydrophobicContact CB-CG 4.21Å; L183-F196 HydrophobicContact CD1-CB 4.13Å; L183-A198 HydrophobicContact CD2-CB 4.31Å; L183-F201 HydrophobicContact CD2-CB 4.17Å
184	S	95.3	Very high	90.4	Very high	72 Å²	72	63.4 Å²	63.4	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.9	179.1	49.4	0	0	0	0	111.3	L186 F196 D197	S184-L186 PolarHBondContact O-N 3.24Å; S184-F196 CarbonylContact O-C 3.55Å; S184-F196 WeakPolarHBondContact O-CA 3.31Å; S184-D197 PolarHBondContact O-N 3.11Å
185	I	95.1	Very high	90.4	Very high	83 Å²	83	63.6 Å²	63.6	43%	0.426	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.6	174.5	-54.6	171.8	0	0	0	109	L35 H194 F196	L35-I185 HydrophobicContact CD1-CD1 3.53Å; L35-I185 HydrophobicContact CD1-CG1 3.84Å; I185-H194 HydrophobicContact CG2-CB 4.46Å; I185-F196 HydrophobicContact CG1-CD1 4.47Å; I185-F196 HydrophobicContact CG1-CE1 4.36Å
186	L	93.7	Very high	90.7	Very high	82 Å²	82	63.4 Å²	63.4	43%	0.429	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-46.4	171	-178.9	61.8	0	0	0	110.8	H40 S184 T195 D197	H40-L186 HydrophobicContact CB-CD2 3.98Å; S184-L186 PolarHBondContact O-N 3.24Å; L186-T195 HydrophobicContact CB-CG2 4.47Å; L186-T195 WeakPolarHBondContact CB-O 3.38Å; L186-T195 HydrophobicContact CD2-CG2 4.29Å; L186-T195 PolarHBondContact N-O 2.98Å; L186-D197 HydrophobicContact CB-CB 4.23Å
187	M	92.9	Very high	91.1	Very high	96 Å²	96	65.2 Å²	65.2	47%	0.473	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150.5	174.3	59.9	177.2	76.9	0	0	109.9	T195	M187-T195 HydrophobicContact CG-CG2 4.37Å; M187-T195 PolarHBondContact N-O 3.1Å; M187-T195 PolarHBondContact O-N 2.85Å
188	S	91.2	Very high	91.2	Very high	76 Å²	76	64.5 Å²	64.5	53%	0.531	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.9	171.3	-58.1	0	0	0	0	108.3	H194	S188-H194 PolarHBondContact OG-CE1 3.13Å; S188-H194 PolarHBondContact OG-ND1 3.21Å
189	I	83.4	Confident	91.3	Very high	87 Å²	87	71.9 Å²	71.9	45%	0.446	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	150.8	172.6	-54.7	165	0	0	0	107	L193	I189-L193 HydrophobicContact CD1-CD2 4.34Å; I189-L193 PolarHBondContact N-O 3.18Å
190	D	76.7	Confident	91.5	Very high	147 Å²	147	70.2 Å²	70.2	79%	0.786	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	145.1	170.2	-62.1	-38.1	0	0	0	109.9
191	L	79.8	Confident	91.6	Very high	186 Å²	186	67.3 Å²	67.3	97%	0.974	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	11.9	-171.9	-50.1	154.2	0	0	0	116.4	L193	L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 3.42Å
192	G	81.2	Confident	91.4	Very high	51 Å²	51	67 Å²	67	53%	0.526	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	18.3	173.1	0	0	0	0	0	114.2	H194	G192-H194 PolarHBondContact O-CD2 3.39Å
193	L	87.6	Confident	91.2	Very high	60 Å²	60	64.9 Å²	64.9	31%	0.314	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.2	174.5	-173.9	71.7	0	0	0	109.6	Y38 I189 L191	Y38-L193 HydrophobicContact CD2-CD1 4.32Å; Y38-L193 HydrophobicContact CD2-CD2 4.17Å; Y38-L193 HydrophobicContact CD2-CG 4.49Å; Y38-L193 HydrophobicContact CE2-CD1 4.16Å; Y38-L193 HydrophobicContact CE2-CD2 3.91Å; I189-L193 HydrophobicContact CD1-CD2 4.34Å; I189-L193 PolarHBondContact N-O 3.18Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 3.42Å
194	H	93.1	Very high	91.1	Very high	26 Å²	26	64.9 Å²	64.9	12%	0.12	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.2	-178.5	-58.8	-75.9	0	0	0	111.8	H36 G37 Y38 I185 S188 G192 F196	H36-H194 PolarHBondContact O-N 3.33Å; H36-H194 VanDerWaalsContact O-N 3.11Å; G37-H194 CarbonylContact C-O 3.48Å; G37-H194 WeakPolarHBondContact CA-O 3.12Å; Y38-H194 PolarHBondContact N-O 3.11Å; I185-H194 HydrophobicContact CG2-CB 4.46Å; S188-H194 PolarHBondContact OG-CE1 3.13Å; S188-H194 PolarHBondContact OG-ND1 3.21Å; G192-H194 PolarHBondContact O-CD2 3.39Å; H194-F196 HydrophobicContact CB-CD1 4.17Å; H194-F196 HydrophobicContact CB-CE1 3.41Å; H194-F196 VanDerWaalsContact CB-CE1 3.41Å; H194-F196 HydrophobicContact CB-CZ 3.61Å
195	T	94.1	Very high	90.7	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.025	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.6	160.5	-62.5	0	0	0	0	108.3	Y38 H40 H47 L186 M187	Y38-T195 CarbonylContact O-C 3.46Å; Y38-T195 WeakPolarHBondContact O-CA 3.35Å; H40-T195 HydrophobicContact CB-CG2 3.66Å; H47-T195 WeakPolarHBondContact ND1-CG2 3.06Å; L186-T195 HydrophobicContact CB-CG2 4.47Å; L186-T195 WeakPolarHBondContact CB-O 3.38Å; L186-T195 HydrophobicContact CD2-CG2 4.29Å; L186-T195 PolarHBondContact N-O 2.98Å; M187-T195 HydrophobicContact CG-CG2 4.37Å; M187-T195 PolarHBondContact N-O 3.1Å; M187-T195 PolarHBondContact O-N 2.85Å
196	F	96.4	Very high	90.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.2	-176.6	-50.8	-62.6	0	0	0	112.2	L35 G37 Y38 V39 H40 N170 L183 S184 I185 H194	L35-F196 HydrophobicContact CB-CE1 3.85Å; L35-F196 HydrophobicContact CB-CZ 3.75Å; L35-F196 HydrophobicContact CD1-CE1 4.43Å; L35-F196 WeakPolarHBondContact O-CZ 3.27Å; G37-F196 VanDerWaalsContact CA-CE2 3.42Å; Y38-F196 PolarHBondContact O-N 2.97Å; V39-F196 HydrophobicContact CG2-CD2 4.45Å; H40-F196 PolarHBondContact N-O 3.4Å; N170-F196 HydrophobicContact CB-CD1 3.68Å; N170-F196 HydrophobicContact CB-CD2 4.02Å; N170-F196 HydrophobicContact CB-CE1 3.39Å; N170-F196 HydrophobicContact CB-CE2 3.71Å; N170-F196 HydrophobicContact CB-CG 4.01Å; N170-F196 HydrophobicContact CB-CZ 3.43Å; N170-F196 VanDerWaalsContact CB-CZ 3.43Å; L183-F196 HydrophobicContact CB-CB 3.6Å; L183-F196 HydrophobicContact CB-CG 4.21Å; L183-F196 HydrophobicContact CD1-CB 4.13Å; S184-F196 CarbonylContact O-C 3.55Å; S184-F196 WeakPolarHBondContact O-CA 3.31Å; I185-F196 HydrophobicContact CG1-CD1 4.47Å; I185-F196 HydrophobicContact CG1-CE1 4.36Å; H194-F196 HydrophobicContact CB-CD1 4.17Å; H194-F196 HydrophobicContact CB-CE1 3.41Å; H194-F196 VanDerWaalsContact CB-CE1 3.41Å; H194-F196 HydrophobicContact CB-CZ 3.61Å
197	D	95.8	Very high	89.9	Confident	47 Å²	47	60.4 Å²	60.4	25%	0.251	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.7	172.7	-177	11.3	0	0	0	110.8	S184 L186 R199	S184-D197 PolarHBondContact O-N 3.11Å; L186-D197 HydrophobicContact CB-CB 4.23Å; D197-R199 VanDerWaalsContact OD1-CB 3.27Å; D197-R199 WeakPolarHBondContact OD1-CB 3.4Å; D197-R199 PolarHBondContact OD1-N 3.3Å
198	A	94.8	Very high	89.4	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.			trans	-101.7	15.9	176.6	0	0	0	0	0	114.6	V39 F53 L183 A200 F201 Y202	V39-A198 HydrophobicContact CG1-CB 3.4Å; F53-A198 HydrophobicContact CD1-CB 4.47Å; F53-A198 HydrophobicContact CE1-CB 3.53Å; F53-A198 HydrophobicContact CE2-CB 4.17Å; F53-A198 HydrophobicContact CZ-CB 3.35Å; L183-A198 HydrophobicContact CD2-CB 4.31Å; A198-A200 PolarHBondContact O-N 3.43Å; A198-F201 PolarHBondContact O-N 2.97Å; A198-Y202 WeakPolarHBondContact O-CB 3.35Å; A198-Y202 PolarHBondContact O-N 3.11Å
199	R	95	Very high	88.6	Confident	164 Å²	164	55.6 Å²	55.6	62%	0.619	29%	0.287	S	S	*	.	H	α-helix	trans	-58.4	-45	-179.1	-168.5	174.1	-163.4	157.4	4.5	113.5	D197 Y202 I203	D197-R199 VanDerWaalsContact OD1-CB 3.27Å; D197-R199 WeakPolarHBondContact OD1-CB 3.4Å; D197-R199 PolarHBondContact OD1-N 3.3Å; R199-Y202 PolarHBondContact O-N 3.38Å; R199-I203 HydrophobicContact CG-CD1 4.08Å; R199-I203 WeakPolarHBondContact O-CG1 3.41Å; R199-I203 PolarHBondContact O-N 3.38Å
200	A	96.2	Very high	88.2	Confident	66 Å²	66	57 Å²	57	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-42.7	178.8	0	0	0	0	0	112	A198 H204	A198-A200 PolarHBondContact O-N 3.43Å; A200-H204 PolarHBondContact O-N 2.98Å
201	F	95.4	Very high	88.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-48.1	174.1	175.9	-91.8	0	0	0	111.2	F53 L54 I57 I172 C174 F181 L183 A198 I203 H204 V205	F53-F201 AromaticContact CE1-CD1 3.63Å; F53-F201 HydrophobicContact CE1-CD1 3.63Å; F53-F201 AromaticContact CE1-CE1 3.82Å; F53-F201 HydrophobicContact CE1-CE1 3.82Å; F53-F201 HydrophobicContact CZ-CD1 4.31Å; L54-F201 HydrophobicContact CD1-CZ 3.85Å; I57-F201 HydrophobicContact CG2-CE1 4.01Å; I172-F201 HydrophobicContact CD1-CE1 4.12Å; I172-F201 HydrophobicContact CD1-CE2 4.06Å; I172-F201 HydrophobicContact CD1-CZ 3.82Å; I172-F201 HydrophobicContact CG1-CD2 4.49Å; I172-F201 HydrophobicContact CG1-CE2 3.94Å; I172-F201 HydrophobicContact CG1-CZ 4.14Å; I172-F201 HydrophobicContact CG2-CD2 3.6Å; I172-F201 HydrophobicContact CG2-CE2 3.9Å; I172-F201 HydrophobicContact CG2-CG 4.12Å; C174-F201 HydrophobicContact CB-CE2 4.45Å; F181-F201 HydrophobicContact CB-CD2 4.26Å; F181-F201 HydrophobicContact CD1-CB 4.31Å; F181-F201 AromaticContact CD2-CD2 3.6Å; F181-F201 HydrophobicContact CD2-CD2 3.6Å; F181-F201 HydrophobicContact CD2-CE2 4.27Å; F181-F201 HydrophobicContact CE2-CD2 4.1Å; F181-F201 HydrophobicContact CG-CB 4.28Å; F181-F201 AromaticContact CG-CD2 3.91Å; F181-F201 HydrophobicContact CG-CD2 3.91Å; L183-F201 HydrophobicContact CD2-CB 4.17Å; A198-F201 PolarHBondContact O-N 2.97Å; F201-I203 PolarHBondContact O-N 3.44Å; F201-H204 WeakPolarHBondContact O-CB 3.4Å; F201-H204 PolarHBondContact O-N 2.99Å; F201-H204 VanDerWaalsContact O-N 3.13Å; F201-V205 HydrophobicContact CD1-CG2 4.02Å; F201-V205 HydrophobicContact CE1-CG2 3.55Å; F201-V205 HydrophobicContact CE2-CG2 4.09Å; F201-V205 HydrophobicContact CG-CG2 4.48Å; F201-V205 HydrophobicContact CZ-CG2 3.6Å; F201-V205 WeakPolarHBondContact O-CG2 3.43Å; F201-V205 PolarHBondContact O-N 3.45Å
202	Y	90.8	Very high	88.3	Confident	22 Å²	22	51 Å²	51	9%	0.086	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-45.7	-179.7	176.5	-122.7	0	0	0	112.9	P42 I57 L61 A198 R199 H204 V205 R206	P42-Y202 HydrophobicContact CG-CD1 3.84Å; P42-Y202 HydrophobicContact CG-CG 3.89Å; I57-Y202 HydrophobicContact CD1-CD2 3.31Å; I57-Y202 HydrophobicContact CD1-CE2 3.66Å; I57-Y202 HydrophobicContact CD1-CG 4.14Å; I57-Y202 HydrophobicContact CG1-CD2 3.59Å; I57-Y202 HydrophobicContact CG1-CE2 4.14Å; L61-Y202 HydrophobicContact CD2-CE2 4.03Å; A198-Y202 WeakPolarHBondContact O-CB 3.35Å; A198-Y202 PolarHBondContact O-N 3.11Å; R199-Y202 PolarHBondContact O-N 3.38Å; Y202-H204 VanDerWaalsContact C-N 3.26Å; Y202-H204 PolarHBondContact O-N 2.92Å; Y202-V205 PolarHBondContact O-N 3Å; Y202-R206 HydrophobicContact CD2-CG 4.35Å; Y202-R206 HydrophobicContact CE1-CG 4.47Å; Y202-R206 HydrophobicContact CE2-CG 3.98Å; Y202-R206 PolarHBondContact O-N 2.92Å
203	I	91.4	Very high	88.4	Confident	87 Å²	87	51 Å²	51	45%	0.446	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-42.8	175.9	-69.2	166.7	0	0	0	110.3	R199 F201 R206 Q207	R199-I203 HydrophobicContact CG-CD1 4.08Å; R199-I203 WeakPolarHBondContact O-CG1 3.41Å; R199-I203 PolarHBondContact O-N 3.38Å; F201-I203 PolarHBondContact O-N 3.44Å; I203-R206 PolarHBondContact O-N 3.15Å; I203-Q207 WeakPolarHBondContact O-CG 3.44Å; I203-Q207 PolarHBondContact O-N 3.24Å
204	H	93.1	Very high	88.5	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.028	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-45.4	177.3	167.9	64.5	0	0	0	112.8	C174 C177 F181 A200 F201 Y202 R206 Q207 H208	C174-H204 VanDerWaalsContact CB-NE2 3.26Å; C174-H204 WeakPolarHBondContact CB-NE2 3.45Å; C174-H204 PolarHBondContact SG-NE2 3.12Å; C177-H204 VanDerWaalsContact SG-CE1 3.54Å; C177-H204 PolarHBondContact SG-NE2 2.94Å; F181-H204 HydrophobicContact CE1-CB 4.06Å; F181-H204 HydrophobicContact CE2-CB 4.36Å; F181-H204 AromaticContact CE2-CD2 3.39Å; F181-H204 WeakPolarHBondContact CE2-CD2 3.25Å; F181-H204 AromaticContact CE2-CG 3.94Å; F181-H204 AromaticContact CE2-NE2 3.99Å; F181-H204 HydrophobicContact CZ-CB 3.5Å; F181-H204 AromaticContact CZ-CD2 3.35Å; F181-H204 WeakPolarHBondContact CZ-CD2 3.39Å; F181-H204 AromaticContact CZ-CG 3.38Å; A200-H204 PolarHBondContact O-N 2.98Å; F201-H204 WeakPolarHBondContact O-CB 3.4Å; F201-H204 PolarHBondContact O-N 2.99Å; F201-H204 VanDerWaalsContact O-N 3.13Å; Y202-H204 VanDerWaalsContact C-N 3.26Å; Y202-H204 PolarHBondContact O-N 2.92Å; H204-R206 VanDerWaalsContact C-N 3.28Å; H204-R206 PolarHBondContact O-N 2.83Å; H204-Q207 WeakPolarHBondContact O-CB 3.32Å; H204-Q207 PolarHBondContact O-N 3.21Å; H204-Q207 VanDerWaalsContact O-N 3.11Å; H204-H208 AromaticContact CE1-NE2 3.54Å; H204-H208 AromaticContact NE2-NE2 3.62Å
205	V	88	Confident	88.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-37.1	179.3	-172.4	0	0	0	0	110.8	L58 L61 Y176 F201 Y202 Q207 H208	L58-V205 HydrophobicContact CD2-CG1 4.47Å; L61-V205 HydrophobicContact CD1-CB 4.28Å; L61-V205 HydrophobicContact CD1-CG1 3.42Å; L61-V205 VanDerWaalsContact CD1-CG1 3.42Å; Y176-V205 HydrophobicContact CD2-CG1 4.06Å; Y176-V205 HydrophobicContact CE2-CG1 3.62Å; F201-V205 HydrophobicContact CD1-CG2 4.02Å; F201-V205 HydrophobicContact CE1-CG2 3.55Å; F201-V205 HydrophobicContact CE2-CG2 4.09Å; F201-V205 HydrophobicContact CG-CG2 4.48Å; F201-V205 HydrophobicContact CZ-CG2 3.6Å; F201-V205 WeakPolarHBondContact O-CG2 3.43Å; F201-V205 PolarHBondContact O-N 3.45Å; Y202-V205 PolarHBondContact O-N 3Å; V205-Q207 VanDerWaalsContact C-N 3.27Å; V205-Q207 PolarHBondContact O-N 3.18Å; V205-H208 WeakPolarHBondContact O-CB 3.35Å; V205-H208 PolarHBondContact O-N 3.22Å
206	R	85	Confident	88	Confident	95 Å²	95	54.2 Å²	54.2	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-34.4	173.1	-78	-174.5	70	166.4	7.5	113.6	L61 Y202 I203 H204 H208 W209 E210	L61-R206 HydrophobicContact CD2-CB 4.5Å; L61-R206 HydrophobicContact CD2-CG 3.51Å; Y202-R206 HydrophobicContact CD2-CG 4.35Å; Y202-R206 HydrophobicContact CE1-CG 4.47Å; Y202-R206 HydrophobicContact CE2-CG 3.98Å; Y202-R206 PolarHBondContact O-N 2.92Å; I203-R206 PolarHBondContact O-N 3.15Å; H204-R206 VanDerWaalsContact C-N 3.28Å; H204-R206 PolarHBondContact O-N 2.83Å; R206-H208 PolarHBondContact O-N 3.41Å; R206-W209 PolarHBondContact O-N 3.41Å; R206-E210 IonicContact CZ-OE1 3.14Å; R206-E210 IonicContact NE-OE1 3.86Å; R206-E210 PolarHBondContact NE-OE1 2.56Å; R206-E210 IonicContact NH2-OE1 3.46Å; R206-E210 PolarHBondContact NH2-OE1 2.61Å; R206-E210 PolarHBondContact O-N 3.44Å
207	Q	85.3	Confident	87.5	Confident	48 Å²	48	58.2 Å²	58.2	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-27.4	178.6	-71.1	168.7	-19.3	0	0	112.8	I203 H204 V205 W209 Q211 T224	I203-Q207 WeakPolarHBondContact O-CG 3.44Å; I203-Q207 PolarHBondContact O-N 3.24Å; H204-Q207 WeakPolarHBondContact O-CB 3.32Å; H204-Q207 PolarHBondContact O-N 3.21Å; H204-Q207 VanDerWaalsContact O-N 3.11Å; V205-Q207 VanDerWaalsContact C-N 3.27Å; V205-Q207 PolarHBondContact O-N 3.18Å; Q207-W209 PolarHBondContact O-N 2.79Å; Q207-Q211 WeakPolarHBondContact O-CB 3.47Å; Q207-Q211 PolarHBondContact O-N 3.3Å; Q207-T224 HydrophobicContact CB-CG2 3.74Å
208	H	82.4	Confident	87.1	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-64.9	-19	173.5	-75.6	-78.5	0	0	0	113.3	Y176 H204 V205 R206 T213 D222	Y176-H208 HydrophobicContact CD1-CB 4.43Å; Y176-H208 HydrophobicContact CD2-CB 4.36Å; Y176-H208 AromaticContact CD2-CD2 3.95Å; Y176-H208 HydrophobicContact CG-CB 4.31Å; Y176-H208 AromaticContact CG-CG 3.87Å; H204-H208 AromaticContact CE1-NE2 3.54Å; H204-H208 AromaticContact NE2-NE2 3.62Å; V205-H208 WeakPolarHBondContact O-CB 3.35Å; V205-H208 PolarHBondContact O-N 3.22Å; R206-H208 PolarHBondContact O-N 3.41Å; H208-T213 HydrophobicContact CB-CG2 4.27Å; H208-T213 WeakPolarHBondContact O-CG2 3.39Å; H208-D222 PolarHBondContact CE1-O 2.9Å
209	W	74.2	Confident	86.8	Confident	60 Å²	60	57 Å²	57	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-106.5	-35.9	-176.9	-76	40.6	0	0	0	112	L61 L62 E65 F76 Y176 R206 Q207	L61-W209 HydrophobicContact CB-CD2 4.33Å; L61-W209 HydrophobicContact CB-CE3 4.21Å; L61-W209 HydrophobicContact CB-CH2 4.29Å; L61-W209 HydrophobicContact CB-CZ2 4.38Å; L61-W209 HydrophobicContact CB-CZ3 4.14Å; L61-W209 VanDerWaalsContact O-CZ3 3.32Å; L61-W209 WeakPolarHBondContact O-CZ3 3.3Å; L62-W209 HydrophobicContact CD2-CH2 3.67Å; L62-W209 HydrophobicContact CD2-CZ2 4.39Å; L62-W209 HydrophobicContact CG-CH2 3.99Å; E65-W209 HydrophobicContact CB-CZ3 4.4Å; E65-W209 VanDerWaalsContact CD-CE3 3.43Å; E65-W209 HydrophobicContact CG-CE3 3.83Å; E65-W209 HydrophobicContact CG-CZ3 3.5Å; E65-W209 VanDerWaalsContact OE1-CZ3 3.22Å; E65-W209 WeakPolarHBondContact OE1-CZ3 3.47Å; E65-W209 VanDerWaalsContact OE2-CZ3 3.29Å; E65-W209 WeakPolarHBondContact OE2-CZ3 3.15Å; F76-W209 HydrophobicContact CD1-CZ2 4.12Å; F76-W209 HydrophobicContact CD2-CZ2 4.35Å; F76-W209 AromaticContact CE1-CZ2 3.83Å; F76-W209 HydrophobicContact CE1-CZ2 3.83Å; F76-W209 HydrophobicContact CE2-CZ2 4.07Å; F76-W209 HydrophobicContact CG-CZ2 4.37Å; F76-W209 AromaticContact CZ-CZ2 3.79Å; F76-W209 HydrophobicContact CZ-CZ2 3.79Å; Y176-W209 AromaticContact CZ-NE1 3.64Å; Y176-W209 PolarHBondContact OH-NE1 3.25Å; R206-W209 PolarHBondContact O-N 3.41Å; Q207-W209 PolarHBondContact O-N 2.79Å
210	E	75	Confident	86.4	Confident	116 Å²	116	49.6 Å²	49.6	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-85.1	-15.6	-176.2	-68.2	173.5	-179.7	0	0	113.9	R206	R206-E210 IonicContact CZ-OE1 3.14Å; R206-E210 IonicContact NE-OE1 3.86Å; R206-E210 PolarHBondContact NE-OE1 2.56Å; R206-E210 IonicContact NH2-OE1 3.46Å; R206-E210 PolarHBondContact NH2-OE1 2.61Å; R206-E210 PolarHBondContact O-N 3.44Å
211	Q	78.7	Confident	86.1	Confident	90 Å²	90	46.6 Å²	46.6	42%	0.421	23%	0.228	S	C	.	.	S	Bend	trans	-125.2	161.1	-174.3	-55.2	-177.4	-5.6	0	0	110.6	Q207 T213	Q207-Q211 WeakPolarHBondContact O-CB 3.47Å; Q207-Q211 PolarHBondContact O-N 3.3Å; Q211-T213 PolarHBondContact O-N 3.24Å
212	T	80.1	Confident	85.8	Confident	118 Å²	118	47.5 Å²	47.5	72%	0.724	23%	0.233	S	C	*	.			trans	-64.3	122.2	169.9	54.3	0	0	0	0	109.7
213	T	85	Confident	85.7	Confident	49 Å²	49	47.1 Å²	47.1	30%	0.301	23%	0.231	S	C	.	.			trans	-96.5	167.1	177.7	65.8	0	0	0	0	112.3	H208 Q211 D222 F223	H208-T213 HydrophobicContact CB-CG2 4.27Å; H208-T213 WeakPolarHBondContact O-CG2 3.39Å; Q211-T213 PolarHBondContact O-N 3.24Å; T213-D222 VanDerWaalsContact CB-CG 3.49Å; T213-D222 WeakPolarHBondContact CB-OD1 3.3Å; T213-D222 WeakPolarHBondContact CB-OD2 3.49Å; T213-D222 VanDerWaalsContact OG1-CG 3.3Å; T213-D222 PolarHBondContact OG1-OD1 3.29Å; T213-D222 PolarHBondContact OG1-OD2 3.42Å; T213-F223 CarbonylContact C-O 3.52Å; T213-F223 WeakPolarHBondContact CA-O 3.37Å
214	H	87.8	Confident	85.6	Confident	57 Å²	57	43.3 Å²	43.3	26%	0.264	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	89.2	-175.6	-61.3	-74.4	0	0	0	109.5	D222 F223 K226 L229	H214-D222 PolarHBondContact N-OD1 2.67Å; H214-D222 VanDerWaalsContact N-OD1 3.14Å; H214-F223 PolarHBondContact N-O 2.88Å; H214-F223 WeakPolarHBondContact O-CD2 3.47Å; H214-F223 PolarHBondContact O-N 2.99Å; H214-F223 VanDerWaalsContact O-N 3.16Å; H214-K226 PolarHBondContact CD2-N 3.1Å; H214-K226 PolarHBondContact NE2-N 3.19Å; H214-L229 HydrophobicContact CB-CB 4.11Å; H214-L229 HydrophobicContact CB-CD2 3.84Å
215	R	88.5	Confident	85.5	Confident	97 Å²	97	46.4 Å²	46.4	37%	0.366	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.2	-176.3	-173.7	163.7	177.4	75.1	1.8	112	R220 D222	R215-R220 PolarHBondContact NH1-O 3.09Å; R215-R220 VanDerWaalsContact NH2-CA 3.34Å; R215-D222 VanDerWaalsContact CA-OD1 3.32Å; R215-D222 WeakPolarHBondContact CA-OD1 3.38Å; R215-D222 HydrophobicContact CB-CB 4.42Å; R215-D222 HydrophobicContact CG-CB 4.47Å; R215-D222 PolarHBondContact N-OD1 2.99Å
216	C	89.2	Confident	85.6	Confident	4 Å²	4	52.5 Å²	52.5	3%	0.027	25%	0.253	C	S	.	.			trans	-66.2	143.2	171.7	-173.9	0	0	0	0	110.6	S218 C219 L221 F223 L229 H237	C216-S218 PolarHBondContact SG-N 2.86Å; C216-S218 VanDerWaalsContact SG-N 3.36Å; C216-C219 VanDerWaalsContact O-O 3.12Å; C216-L221 PolarHBondContact N-O 2.75Å; C216-F223 HydrophobicContact CB-CE2 4.42Å; C216-L229 HydrophobicContact CB-CD1 3.81Å; C216-H237 PolarHBondContact SG-CD2 2.56Å; C216-H237 PolarHBondContact SG-NE2 3.21Å
217	T	85.9	Confident	85.8	Confident	85 Å²	85	56 Å²	56	52%	0.521	27%	0.266	S	S	.	.	S	Bend	trans	-93.4	-10.5	178	72	0	0	0	0	113.9	R134	R134-T217 PolarHBondContact NH1-OG1 2.69Å
218	S	86.3	Confident	86	Confident	17 Å²	17	56.3 Å²	56.3	12%	0.119	27%	0.27	C	S	.	.	S	Bend	trans	-107.2	-6.8	178.8	-67.8	0	0	0	0	113.1	R134 H135 C216	R134-S218 WeakPolarHBondContact O-CB 3.43Å; R134-S218 PolarHBondContact O-OG 3.2Å; H135-S218 PolarHBondContact CE1-O 3.4Å; H135-S218 PolarHBondContact ND1-O 2.84Å; C216-S218 PolarHBondContact SG-N 2.86Å; C216-S218 VanDerWaalsContact SG-N 3.36Å
219	C	89.1	Confident	86.3	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.02	27%	0.272	C	S	.	.	S	Bend	trans	-150.2	-176.5	172.5	75.8	0	0	0	0	110.9	I116 P141 Y142 C216 L221 H232 H237	I116-C219 HydrophobicContact CG2-CB 4.43Å; P141-C219 HydrophobicContact CB-CB 4.14Å; P141-C219 HydrophobicContact CG-CB 3.87Å; Y142-C219 HydrophobicContact CE1-CB 4.48Å; C216-C219 VanDerWaalsContact O-O 3.12Å; C219-L221 VanDerWaalsContact C-N 3.33Å; C219-L221 PolarHBondContact SG-N 3.28Å; C219-H232 PolarHBondContact SG-NE2 3.2Å; C219-H237 WeakPolarHBondContact CB-NE2 3.49Å
220	R	86.8	Confident	87	Confident	10 Å²	10	59 Å²	59	4%	0.038	29%	0.285	C	S	.	.	S	Bend	trans	-85.9	1.6	179.3	77.4	-175.8	-104.5	175	-10.7	114.9	E79 C80 E118 Y142 Y155 R215	E79-R220 PolarHBondContact O-NH2 3.29Å; C80-R220 VanDerWaalsContact C-NH2 3.25Å; C80-R220 VanDerWaalsContact CA-CZ 3.41Å; C80-R220 PolarHBondContact O-NH2 3.38Å; C80-R220 VanDerWaalsContact O-NH2 3.12Å; E118-R220 IonicContact OE1-CZ 3.31Å; E118-R220 IonicContact OE1-NH1 3.01Å; E118-R220 PolarHBondContact OE1-NH1 2.8Å; E118-R220 IonicContact OE2-NH1 3.99Å; E118-R220 PolarHBondContact OE2-NH1 3.2Å; Y142-R220 HydrophobicContact CE1-CG 3.85Å; Y142-R220 VanDerWaalsContact OH-CG 3.27Å; Y142-R220 WeakPolarHBondContact OH-CG 3.45Å; Y142-R220 PolarHBondContact OH-N 2.97Å; Y155-R220 HydrophobicContact CD2-CG 4.35Å; R215-R220 PolarHBondContact NH1-O 3.09Å; R215-R220 VanDerWaalsContact NH2-CA 3.34Å
221	L	90.5	Very high	87.4	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.016	27%	0.267	C	S	.	.			trans	-73.8	144.1	-177.4	-58.8	-177.4	0	0	0	111.1	Y142 Y176 L178 C216 C219 F223	Y142-L221 HydrophobicContact CD1-CD2 4.29Å; Y142-L221 HydrophobicContact CE1-CD2 4.06Å; Y142-L221 HydrophobicContact CE1-CG 4.12Å; Y176-L221 CarbonylContact O-C 3.46Å; Y176-L221 VanDerWaalsContact O-CA 3.27Å; Y176-L221 WeakPolarHBondContact O-CA 3.41Å; Y176-L221 WeakPolarHBondContact O-CD2 3.48Å; L178-L221 HydrophobicContact CD1-CD1 3.81Å; L178-L221 HydrophobicContact CD1-CD2 4Å; L178-L221 HydrophobicContact CD2-CD2 4.32Å; L178-L221 HydrophobicContact CG-CD1 4.06Å; L178-L221 HydrophobicContact CG-CD2 3.72Å; C216-L221 PolarHBondContact N-O 2.75Å; C219-L221 VanDerWaalsContact C-N 3.33Å; C219-L221 PolarHBondContact SG-N 3.28Å; L221-F223 HydrophobicContact CB-CE2 3.72Å; L221-F223 HydrophobicContact CB-CZ 3.78Å; L221-F223 HydrophobicContact CD1-CZ 4.12Å
222	D	88.8	Confident	87.8	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.8	178.6	-171.2	14.3	0	0	0	109.9	Y176 C177 H208 T213 H214 R215	Y176-D222 CarbonylContact C-O 3.58Å; Y176-D222 PolarHBondContact O-N 3.14Å; C177-D222 WeakPolarHBondContact CB-O 3.48Å; H208-D222 PolarHBondContact CE1-O 2.9Å; T213-D222 VanDerWaalsContact CB-CG 3.49Å; T213-D222 WeakPolarHBondContact CB-OD1 3.3Å; T213-D222 WeakPolarHBondContact CB-OD2 3.49Å; T213-D222 VanDerWaalsContact OG1-CG 3.3Å; T213-D222 PolarHBondContact OG1-OD1 3.29Å; T213-D222 PolarHBondContact OG1-OD2 3.42Å; H214-D222 PolarHBondContact N-OD1 2.67Å; H214-D222 VanDerWaalsContact N-OD1 3.14Å; R215-D222 VanDerWaalsContact CA-OD1 3.32Å; R215-D222 WeakPolarHBondContact CA-OD1 3.38Å; R215-D222 HydrophobicContact CB-CB 4.42Å; R215-D222 HydrophobicContact CG-CB 4.47Å; R215-D222 PolarHBondContact N-OD1 2.99Å
223	F	89.6	Confident	88	Confident	13 Å²	13	49 Å²	49	6%	0.057	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.8	-167.6	-61	-89.9	0	0	0	111.8	C177 T213 H214 C216 L221 H225 D228 L229 H232	C177-F223 HydrophobicContact CB-CD1 3.63Å; C177-F223 HydrophobicContact CB-CE1 3.86Å; C177-F223 HydrophobicContact CB-CG 4.31Å; T213-F223 CarbonylContact C-O 3.52Å; T213-F223 WeakPolarHBondContact CA-O 3.37Å; H214-F223 PolarHBondContact N-O 2.88Å; H214-F223 WeakPolarHBondContact O-CD2 3.47Å; H214-F223 PolarHBondContact O-N 2.99Å; H214-F223 VanDerWaalsContact O-N 3.16Å; C216-F223 HydrophobicContact CB-CE2 4.42Å; L221-F223 HydrophobicContact CB-CE2 3.72Å; L221-F223 HydrophobicContact CB-CZ 3.78Å; L221-F223 HydrophobicContact CD1-CZ 4.12Å; F223-H225 VanDerWaalsContact C-N 3.3Å; F223-H225 PolarHBondContact O-N 3.15Å; F223-D228 HydrophobicContact CB-CB 4.3Å; F223-D228 HydrophobicContact CD1-CB 3.84Å; F223-D228 HydrophobicContact CG-CB 4.37Å; F223-L229 HydrophobicContact CB-CB 4.26Å; F223-L229 HydrophobicContact CD2-CB 3.9Å; F223-L229 HydrophobicContact CD2-CD1 3.89Å; F223-L229 HydrophobicContact CE2-CD1 4.08Å; F223-L229 HydrophobicContact CG-CB 4.22Å; F223-H232 HydrophobicContact CE1-CB 3.97Å; F223-H232 HydrophobicContact CE2-CB 3.96Å; F223-H232 AromaticContact CE2-CD2 3.45Å; F223-H232 VanDerWaalsContact CE2-CD2 3.45Å; F223-H232 WeakPolarHBondContact CE2-CD2 3.17Å; F223-H232 AromaticContact CE2-CG 3.8Å; F223-H232 HydrophobicContact CZ-CB 3.4Å; F223-H232 AromaticContact CZ-CD2 3.51Å; F223-H232 AromaticContact CZ-CG 3.37Å
224	T	89.4	Confident	87.9	Confident	7 Å²	7	48 Å²	48	4%	0.043	22%	0.219	C	C	.	.	S	Bend	trans	-74.9	-19.7	176.8	59	0	0	0	0	113.2	Q207	Q207-T224 HydrophobicContact CB-CG2 3.74Å
225	H	88.9	Confident	87.3	Confident	71 Å²	71	46 Å²	46	33%	0.329	21%	0.21	S	C	.	.	S	Bend	trans	-132.4	138.3	179.2	-57	-57	0	0	0	111.9	F223 R227 D228 L229	F223-H225 VanDerWaalsContact C-N 3.3Å; F223-H225 PolarHBondContact O-N 3.15Å; H225-R227 HydrophobicContact CB-CG 4.01Å; H225-R227 PolarHBondContact O-N 2.69Å; H225-R227 VanDerWaalsContact O-N 3.16Å; H225-D228 WeakPolarHBondContact CB-OD2 3.36Å; H225-D228 IonicContact CD2-OD2 2.84Å; H225-D228 PolarHBondContact CD2-OD2 3.29Å; H225-D228 IonicContact CG-OD2 3.91Å; H225-D228 PolarHBondContact O-N 3.18Å; H225-L229 PolarHBondContact O-N 2.95Å
226	K	90.1	Very high	87	Confident	128 Å²	128	42.5 Å²	42.5	56%	0.557	20%	0.199	S	C	*	.	H	α-helix	trans	-54.7	-35.9	177.7	-172.7	174.6	-179.6	176.5	0	113.5	H214 D228 L229 Q230	H214-K226 PolarHBondContact CD2-N 3.1Å; H214-K226 PolarHBondContact NE2-N 3.19Å; K226-D228 VanDerWaalsContact C-N 3.28Å; K226-D228 PolarHBondContact O-N 3.24Å; K226-L229 PolarHBondContact O-N 2.66Å; K226-Q230 WeakPolarHBondContact O-CG 3.39Å; K226-Q230 PolarHBondContact O-N 3.13Å
227	R	90.7	Very high	86.6	Confident	168 Å²	168	43.2 Å²	43.2	63%	0.634	20%	0.202	S	C	*	.	H	α-helix	trans	-62.9	-34.1	177.6	69.6	-179.1	-179.5	-174.6	-6.1	112.8	H225 W231	H225-R227 HydrophobicContact CB-CG 4.01Å; H225-R227 PolarHBondContact O-N 2.69Å; H225-R227 VanDerWaalsContact O-N 3.16Å; R227-W231 WeakPolarHBondContact O-CB 3.47Å; R227-W231 PolarHBondContact O-N 3.41Å
228	D	89.6	Confident	85.7	Confident	56 Å²	56	40.9 Å²	40.9	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-76.9	-37.3	-177.8	-61.2	-37.1	0	0	0	109.8	F223 H225 K226 W231 H232	F223-D228 HydrophobicContact CB-CB 4.3Å; F223-D228 HydrophobicContact CD1-CB 3.84Å; F223-D228 HydrophobicContact CG-CB 4.37Å; H225-D228 WeakPolarHBondContact CB-OD2 3.36Å; H225-D228 IonicContact CD2-OD2 2.84Å; H225-D228 PolarHBondContact CD2-OD2 3.29Å; H225-D228 IonicContact CG-OD2 3.91Å; H225-D228 PolarHBondContact O-N 3.18Å; K226-D228 VanDerWaalsContact C-N 3.28Å; K226-D228 PolarHBondContact O-N 3.24Å; D228-W231 WeakPolarHBondContact O-CB 3.5Å; D228-W231 PolarHBondContact O-N 3.15Å; D228-H232 WeakPolarHBondContact O-CB 3.32Å; D228-H232 PolarHBondContact O-N 2.92Å
229	L	88.9	Confident	84.2	Confident	20 Å²	20	42 Å²	42	11%	0.105	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-53.1	168.2	171.2	64.2	0	0	0	111.4	H214 C216 F223 H225 K226 W231 H232 E233	H214-L229 HydrophobicContact CB-CB 4.11Å; H214-L229 HydrophobicContact CB-CD2 3.84Å; C216-L229 HydrophobicContact CB-CD1 3.81Å; F223-L229 HydrophobicContact CB-CB 4.26Å; F223-L229 HydrophobicContact CD2-CB 3.9Å; F223-L229 HydrophobicContact CD2-CD1 3.89Å; F223-L229 HydrophobicContact CE2-CD1 4.08Å; F223-L229 HydrophobicContact CG-CB 4.22Å; H225-L229 PolarHBondContact O-N 2.95Å; K226-L229 PolarHBondContact O-N 2.66Å; L229-W231 PolarHBondContact O-N 2.82Å; L229-H232 WeakPolarHBondContact O-CB 3.42Å; L229-H232 PolarHBondContact O-N 2.8Å; L229-H232 VanDerWaalsContact O-N 3.11Å; L229-E233 HydrophobicContact CD1-CG 3.89Å; L229-E233 HydrophobicContact CG-CG 4.34Å; L229-E233 WeakPolarHBondContact O-CG 3.43Å; L229-E233 PolarHBondContact O-N 3.13Å
230	Q	88	Confident	82	Confident	107 Å²	107	46.5 Å²	46.5	50%	0.5	22%	0.224	S	C	.	.	H	α-helix	trans	-57.4	-36.3	179.4	-73.8	175.9	-28.7	0	0	112.1	K226 Y234	K226-Q230 WeakPolarHBondContact O-CG 3.39Å; K226-Q230 PolarHBondContact O-N 3.13Å; Q230-Y234 VanDerWaalsContact O-CB 3.28Å; Q230-Y234 WeakPolarHBondContact O-CB 3.36Å; Q230-Y234 PolarHBondContact O-N 2.96Å
231	W	83.8	Confident	79.5	Confident	42 Å²	42	51 Å²	51	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-69.2	-42.3	177.9	-172.6	-93.4	0	0	0	112.6	R227 D228 L229 Y234 L235 R290 K295	R227-W231 WeakPolarHBondContact O-CB 3.47Å; R227-W231 PolarHBondContact O-N 3.41Å; D228-W231 WeakPolarHBondContact O-CB 3.5Å; D228-W231 PolarHBondContact O-N 3.15Å; L229-W231 PolarHBondContact O-N 2.82Å; W231-Y234 PolarHBondContact O-N 2.81Å; W231-L235 HydrophobicContact CZ2-CD1 4.06Å; W231-L235 PolarHBondContact O-N 3.09Å; W231-L235 VanDerWaalsContact O-N 3.08Å; W231-R290 HydrophobicContact CH2-CB 3.32Å; W231-R290 HydrophobicContact CZ3-CB 3.33Å; W231-R290 HydrophobicContact CZ3-CG 4.13Å; W231-K295 HydrophobicContact CZ2-CB 4.21Å; W231-K295 HydrophobicContact CZ2-CD 4.19Å
232	H	86	Confident	76.7	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.046	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-48.2	174.6	163.1	62.2	0	0	0	111.7	C219 F223 D228 L229 Y234 L235 D236 H237	C219-H232 PolarHBondContact SG-NE2 3.2Å; F223-H232 HydrophobicContact CE1-CB 3.97Å; F223-H232 HydrophobicContact CE2-CB 3.96Å; F223-H232 AromaticContact CE2-CD2 3.45Å; F223-H232 VanDerWaalsContact CE2-CD2 3.45Å; F223-H232 WeakPolarHBondContact CE2-CD2 3.17Å; F223-H232 AromaticContact CE2-CG 3.8Å; F223-H232 HydrophobicContact CZ-CB 3.4Å; F223-H232 AromaticContact CZ-CD2 3.51Å; F223-H232 AromaticContact CZ-CG 3.37Å; D228-H232 WeakPolarHBondContact O-CB 3.32Å; D228-H232 PolarHBondContact O-N 2.92Å; L229-H232 WeakPolarHBondContact O-CB 3.42Å; L229-H232 PolarHBondContact O-N 2.8Å; L229-H232 VanDerWaalsContact O-N 3.11Å; H232-Y234 PolarHBondContact O-N 2.98Å; H232-L235 PolarHBondContact O-N 3.23Å; H232-D236 IonicContact CE1-OD2 2.88Å; H232-D236 IonicContact CG-OD2 3.65Å; H232-D236 IonicContact ND1-OD2 3.92Å; H232-D236 PolarHBondContact ND1-OD2 3.16Å; H232-D236 WeakPolarHBondContact O-CB 3.06Å; H232-D236 PolarHBondContact O-N 2.89Å; H232-H237 AromaticContact CE1-CD2 3.81Å; H232-H237 AromaticContact CE1-NE2 3.52Å; H232-H237 AromaticContact NE2-CD2 3.38Å; H232-H237 PolarHBondContact NE2-CD2 2.48Å; H232-H237 AromaticContact NE2-NE2 3.17Å; H232-H237 PolarHBondContact NE2-NE2 3.2Å; H232-H237 VanDerWaalsContact NE2-NE2 3.17Å
233	E	85.7	Confident	73.7	Confident	63 Å²	63	59 Å²	59	29%	0.294	30%	0.304	S	S	.	.	I	π-helix	trans	-57.8	-37.5	175.7	-70.6	175.4	152.8	0	0	111.8	L229 H237 S238	L229-E233 HydrophobicContact CD1-CG 3.89Å; L229-E233 HydrophobicContact CG-CG 4.34Å; L229-E233 WeakPolarHBondContact O-CG 3.43Å; L229-E233 PolarHBondContact O-N 3.13Å; E233-H237 CarbonylContact O-C 3.51Å; E233-H237 PolarHBondContact O-N 3.32Å; E233-S238 PolarHBondContact O-N 2.94Å; E233-S238 PolarHBondContact O-OG 3.33Å
234	Y	81.6	Confident	70.7	Confident	29 Å²	29	67 Å²	67	11%	0.114	34%	0.338	C	S	.	.	I	π-helix	trans	-64.5	-47.3	175.7	176.1	-107.7	0	0	0	113.2	Q230 W231 H232 S238 E287	Q230-Y234 VanDerWaalsContact O-CB 3.28Å; Q230-Y234 WeakPolarHBondContact O-CB 3.36Å; Q230-Y234 PolarHBondContact O-N 2.96Å; W231-Y234 PolarHBondContact O-N 2.81Å; H232-Y234 PolarHBondContact O-N 2.98Å; Y234-S238 VanDerWaalsContact CA-OG 3.3Å; Y234-S238 WeakPolarHBondContact CA-OG 3.36Å; Y234-S238 VanDerWaalsContact O-CB 3.27Å; Y234-S238 WeakPolarHBondContact O-CB 3.17Å; Y234-S238 PolarHBondContact O-OG 3.11Å; Y234-E287 WeakPolarHBondContact CE2-OE2 3.49Å; Y234-E287 PolarHBondContact OH-OE2 2.96Å
235	L	77	Confident	67.9	Low	14 Å²	14	69.5 Å²	69.5	7%	0.073	36%	0.355	C	S	.	.	I	π-helix	trans	-82.9	-34.4	-174.1	-69.6	177.7	0	0	0	114.1	W231 H232 K295 I313	W231-L235 HydrophobicContact CZ2-CD1 4.06Å; W231-L235 PolarHBondContact O-N 3.09Å; W231-L235 VanDerWaalsContact O-N 3.08Å; H232-L235 PolarHBondContact O-N 3.23Å; L235-K295 HydrophobicContact CD1-CB 3.61Å; L235-K295 HydrophobicContact CD1-CD 4.03Å; L235-K295 HydrophobicContact CD1-CG 4.36Å; L235-I313 WeakPolarHBondContact O-CG2 3.48Å
236	D	81.4	Confident	64.8	Low	23 Å²	23	70.1 Å²	70.1	12%	0.123	37%	0.367	C	S	.	.	I	π-helix	trans	-111.4	-21.7	-164.8	-59	-49.9	0	0	0	112.6	P141 R151 H232	P141-D236 HydrophobicContact CB-CB 4.2Å; R151-D236 IonicContact CZ-OD1 2.6Å; R151-D236 IonicContact NH2-OD1 2.74Å; R151-D236 PolarHBondContact NH2-OD1 3.37Å; H232-D236 IonicContact CE1-OD2 2.88Å; H232-D236 IonicContact CG-OD2 3.65Å; H232-D236 IonicContact ND1-OD2 3.92Å; H232-D236 PolarHBondContact ND1-OD2 3.16Å; H232-D236 WeakPolarHBondContact O-CB 3.06Å; H232-D236 PolarHBondContact O-N 2.89Å
237	H	80.1	Confident	61.7	Low	20 Å²	20	69.8 Å²	69.8	9%	0.093	38%	0.38	C	S	.	.	I	π-helix	trans	-124.2	-8.7	-177.6	-63.7	-49.4	0	0	0	115.1	V136 D139 C216 C219 H232 E233 G239	V136-H237 WeakPolarHBondContact CG1-O 3.44Å; D139-H237 IonicContact OD1-CE1 3.17Å; D139-H237 PolarHBondContact OD1-CE1 3.37Å; D139-H237 IonicContact OD1-ND1 3.66Å; D139-H237 PolarHBondContact OD1-ND1 3.34Å; D139-H237 VanDerWaalsContact OD1-ND1 3.17Å; D139-H237 IonicContact OD2-CE1 3.42Å; D139-H237 IonicContact OD2-ND1 3.49Å; D139-H237 PolarHBondContact OD2-ND1 3.01Å; C216-H237 PolarHBondContact SG-CD2 2.56Å; C216-H237 PolarHBondContact SG-NE2 3.21Å; C219-H237 WeakPolarHBondContact CB-NE2 3.49Å; H232-H237 AromaticContact CE1-CD2 3.81Å; H232-H237 AromaticContact CE1-NE2 3.52Å; H232-H237 AromaticContact NE2-CD2 3.38Å; H232-H237 PolarHBondContact NE2-CD2 2.48Å; H232-H237 AromaticContact NE2-NE2 3.17Å; H232-H237 PolarHBondContact NE2-NE2 3.2Å; H232-H237 VanDerWaalsContact NE2-NE2 3.17Å; E233-H237 CarbonylContact O-C 3.51Å; E233-H237 PolarHBondContact O-N 3.32Å; H237-G239 PolarHBondContact O-N 3.11Å
238	S	68	Low	58.5	Low	35 Å²	35	69.3 Å²	69.3	25%	0.245	39%	0.385	C	S	.	.			trans	-76.8	96.7	-179.7	-65.5	0	0	0	0	110.9	E233 Y234	E233-S238 PolarHBondContact O-N 2.94Å; E233-S238 PolarHBondContact O-OG 3.33Å; Y234-S238 VanDerWaalsContact CA-OG 3.3Å; Y234-S238 WeakPolarHBondContact CA-OG 3.36Å; Y234-S238 VanDerWaalsContact O-CB 3.27Å; Y234-S238 WeakPolarHBondContact O-CB 3.17Å; Y234-S238 PolarHBondContact O-OG 3.11Å
239	G	54.1	Low	55.6	Low	41 Å²	41	73.8 Å²	73.8	42%	0.423	41%	0.408	S	S	.	.			trans	-87.9	95.2	150.4	0	0	0	0	0	106.1	V136 H237	V136-G239 VanDerWaalsContact CG1-N 3.35Å; H237-G239 PolarHBondContact O-N 3.11Å
240	H	43.2	Very low	52.6	Low	98 Å²	98	80 Å²	80	45%	0.454	44%	0.442	S	S	.	.			trans	-49.5	135.2	-177.8	-118.3	-88	0	0	0	110.8	L242 E287	H240-L242 PolarHBondContact O-N 3.46Å; H240-E287 IonicContact CD2-OE1 3.74Å; H240-E287 IonicContact CE1-OE1 3.83Å; H240-E287 IonicContact NE2-OE1 3.01Å; H240-E287 PolarHBondContact NE2-OE1 2.84Å
241	P	33.7	Very low	49.8	Very low	103 Å²	103	79.8 Å²	79.8	67%	0.669	46%	0.459	S	S	*	.			trans	-55.6	139.7	172.9	21.7	-30.8	0	0	0	108.6	S243	P241-S243 PolarHBondContact O-N 3.16Å
242	L	32.4	Very low	47.1	Very low	101 Å²	101	83 Å²	83	53%	0.529	49%	0.486	S	S	.	.			trans	-65.3	65.5	-171.1	-62.2	124.7	0	0	0	112.8	H240 K244 P328	H240-L242 PolarHBondContact O-N 3.46Å; L242-K244 PolarHBondContact O-N 3.47Å; L242-P328 HydrophobicContact CB-CG 4.08Å; L242-P328 HydrophobicContact CD1-CB 3.36Å; L242-P328 HydrophobicContact CD1-CG 3.4Å; L242-P328 HydrophobicContact CD2-CG 3.76Å; L242-P328 HydrophobicContact CG-CB 4.38Å; L242-P328 HydrophobicContact CG-CG 3.89Å
243	S	25.1	Very low	44.2	Very low	91 Å²	91	91.9 Å²	91.9	64%	0.636	53%	0.528	S	S	*	.			trans	-77.9	116.8	156	56	0	0	0	0	106.9	P241 P245	P241-S243 PolarHBondContact O-N 3.16Å; S243-P245 WeakPolarHBondContact O-CD 3.44Å
244	K	26.8	Very low	41.4	Very low	179 Å²	179	96.2 Å²	96.2	78%	0.778	55%	0.552	S	S	*	*			trans	-44.1	125	167.4	-111.6	176.9	172.7	-176.6	0	108.3	L242 S246	L242-K244 PolarHBondContact O-N 3.47Å; K244-S246 VanDerWaalsContact C-N 3.3Å; K244-S246 PolarHBondContact O-N 3.3Å
245	P	30.6	Very low	38.6	Very low	60 Å²	60	99.4 Å²	99.4	39%	0.39	58%	0.579	S	S	.	*			trans	-62	110.6	139.6	24	-23.4	0	0	0	104.8	S243 C247 W318	S243-P245 WeakPolarHBondContact O-CD 3.44Å; P245-C247 PolarHBondContact O-N 2.88Å; P245-W318 VanDerWaalsContact CD-CZ2 3.46Å; P245-W318 HydrophobicContact CG-CH2 3.45Å; P245-W318 VanDerWaalsContact CG-CH2 3.45Å; P245-W318 HydrophobicContact CG-CZ2 3.13Å
246	S	23.6	Very low	36.3	Very low	85 Å²	85	102.9 Å²	102.9	59%	0.594	60%	0.604	S	S	*	*			trans	-62.3	93.8	154.3	-176.5	0	0	0	0	106	K244 E248	K244-S246 VanDerWaalsContact C-N 3.3Å; K244-S246 PolarHBondContact O-N 3.3Å; S246-E248 PolarHBondContact OG-N 3.27Å
247	C	25.1	Very low	33.7	Very low	121 Å²	121	110.8 Å²	110.8	82%	0.818	64%	0.64	S	S	*	*			trans	-97.9	65	143.2	-75.4	0	0	0	0	106	P245 N249	P245-C247 PolarHBondContact O-N 2.88Å; C247-N249 PolarHBondContact O-N 2.75Å
248	E	24.8	Very low	31.3	Very low	157 Å²	157	117 Å²	117	73%	0.734	67%	0.673	S	S	*	*			trans	-68	96.4	138	-77.4	176.1	-175.8	0	0	105	S246	S246-E248 PolarHBondContact OG-N 3.27Å
249	N	28.4	Very low	29.2	Very low	150 Å²	150	120.6 Å²	120.6	80%	0.802	70%	0.695	S	S	*	*			trans	-158.7	108.3	141.3	-89.3	-23.9	0	0	0	107.2	C247	C247-N249 PolarHBondContact O-N 2.75Å
250	N	26.2	Very low	28.3	Very low	150 Å²	150	126.8 Å²	126.8	80%	0.802	72%	0.719	S	S	*	*			trans	-17.6	141.1	162.2	-64.3	-37.9	0	0	0	114.7	C252	N250-C252 PolarHBondContact O-N 3.17Å; N250-C252 VanDerWaalsContact O-N 3.08Å
251	A	29.2	Very low	27.5	Very low	104 Å²	104	129.7 Å²	129.7	86%	0.86	74%	0.738	S	S	*	*			trans	-32.3	115.9	157.4	0	0	0	0	0	110.7
252	C	26.7	Very low	27.2	Very low	109 Å²	109	133 Å²	133	74%	0.736	74%	0.744	S	S	*	*			trans	-131.4	93.8	164.9	-123.5	0	0	0	0	106.4	N250 L254	N250-C252 PolarHBondContact O-N 3.17Å; N250-C252 VanDerWaalsContact O-N 3.08Å; C252-L254 PolarHBondContact O-N 3.42Å
253	E	23.7	Very low	26.7	Very low	197 Å²	197	136 Å²	136	92%	0.921	76%	0.76	S	S	*	*			trans	-48.7	102.2	140.9	-70	177.4	156.6	0	0	106.7
254	L	26.7	Very low	26.6	Very low	153 Å²	153	137 Å²	137	80%	0.801	77%	0.767	S	S	*	*			trans	-132.4	103.8	161.8	-163	64.4	0	0	0	109.6	C252	C252-L254 PolarHBondContact O-N 3.42Å
255	S	24.1	Very low	26.4	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	77%	0.768	S	S	*	*			trans	-25.7	137.2	156.5	-146.7	0	0	0	0	114.4
256	S	29	Very low	26.1	Very low	87 Å²	87	138.1 Å²	138.1	61%	0.608	79%	0.786	S	S	*	*	S	Bend	trans	24.8	105.3	138	59.7	0	0	0	0	117.3
257	H	26.8	Very low	26.6	Very low	189 Å²	189	140 Å²	140	88%	0.875	78%	0.781	S	S	*	*			trans	157.1	81.5	135.6	-84.7	-66	0	0	0	108.8
258	L	29	Very low	26.6	Very low	152 Å²	152	138.2 Å²	138.2	80%	0.796	77%	0.77	S	S	*	*			trans	-119.2	128.3	160.7	-88.2	136.8	0	0	0	107.7
259	P	25.1	Very low	27.1	Very low	109 Å²	109	135.9 Å²	135.9	71%	0.708	76%	0.763	S	S	*	*			trans	-69.1	148.1	-168.7	26	-32.4	0	0	0	112.8	D261	P259-D261 PolarHBondContact O-N 3.05Å
260	D	33.7	Very low	27.3	Very low	172 Å²	172	136.8 Å²	136.8	92%	0.92	76%	0.762	S	S	*	*	S	Bend	trans	-57.8	18.5	-165.5	-84.2	-34.6	0	0	0	118.8
261	D	27.6	Very low	27.8	Very low	159 Å²	159	135 Å²	135	85%	0.85	75%	0.752	S	S	*	*			trans	-105.6	13.5	-178.4	-97.5	-7	0	0	0	115.1	P259 L263	P259-D261 PolarHBondContact O-N 3.05Å; D261-L263 PolarHBondContact O-N 3.14Å
262	Q	26.1	Very low	27.9	Very low	171 Å²	171	135.2 Å²	135.2	80%	0.799	74%	0.743	S	S	*	*	S	Bend	trans	-93.6	93.3	174.5	-63.8	-118.6	-1.9	0	0	110.7	S264	Q262-S264 PolarHBondContact O-N 2.78Å; Q262-S264 VanDerWaalsContact O-N 3.11Å
263	L	23	Very low	28.3	Very low	166 Å²	166	132.3 Å²	132.3	87%	0.869	73%	0.726	S	S	*	*			trans	-27.3	109.6	165.7	-74.2	155.4	0	0	0	112.6	D261 L265	D261-L263 PolarHBondContact O-N 3.14Å; L263-L265 PolarHBondContact O-N 3.07Å
264	S	22	Very low	28.7	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	72%	0.721	S	S	*	*			trans	-75.9	106.5	169.5	47.9	0	0	0	0	109	Q262 S266	Q262-S264 PolarHBondContact O-N 2.78Å; Q262-S264 VanDerWaalsContact O-N 3.11Å; S264-S266 PolarHBondContact O-N 3.14Å; S264-S266 VanDerWaalsContact O-N 3.07Å
265	L	23.3	Very low	29.4	Very low	150 Å²	150	127.3 Å²	127.3	79%	0.785	70%	0.703	S	S	*	*			trans	-74.9	98	-179.7	-139.9	85.3	0	0	0	109.2	L263	L263-L265 PolarHBondContact O-N 3.07Å
266	S	25.1	Very low	30.2	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	71%	0.707	S	S	*	*			trans	-104.2	128.1	167	53.3	0	0	0	0	109.4	S264 S268	S264-S266 PolarHBondContact O-N 3.14Å; S264-S266 VanDerWaalsContact O-N 3.07Å; S266-S268 PolarHBondContact O-N 3.15Å
267	Y	32.7	Very low	30.9	Very low	124 Å²	124	136.2 Å²	136.2	49%	0.486	72%	0.724	S	S	.	*			trans	-83.7	114.7	-163.8	-141.8	-96.6	0	0	0	111.1	F297	Y267-F297 WeakPolarHBondContact OH-CB 3.48Å; Y267-F297 PolarHBondContact OH-O 2.86Å
268	S	26.6	Very low	32.2	Very low	84 Å²	84	131.1 Å²	131.1	59%	0.587	71%	0.706	S	S	*	*			trans	-131.6	138.3	159.7	178.4	0	0	0	0	106.6	S266 Q270	S266-S268 PolarHBondContact O-N 3.15Å; S268-Q270 PolarHBondContact O-N 3.32Å
269	N	34.6	Very low	33.8	Very low	107 Å²	107	133.3 Å²	133.3	57%	0.572	70%	0.704	S	S	*	*	S	Bend	trans	-65.9	25.1	-173.3	-73.3	-21	0	0	0	114.8
270	Q	31.5	Very low	36.2	Very low	169 Å²	169	131.2 Å²	131.2	79%	0.79	69%	0.686	S	S	*	*			trans	-115.2	57.4	173.3	-62.7	-176.4	5.3	0	0	110.5	S268 V272	S268-Q270 PolarHBondContact O-N 3.32Å; Q270-V272 VanDerWaalsContact C-N 3.28Å; Q270-V272 PolarHBondContact O-N 3.41Å
271	L	37.7	Very low	38.3	Very low	114 Å²	114	130 Å²	130	60%	0.597	67%	0.673	S	S	*	*			trans	-75.1	84.4	165.2	-91.2	162.6	0	0	0	109.5	A273	L271-A273 VanDerWaalsContact C-N 3.32Å; L271-A273 PolarHBondContact O-N 2.72Å
272	V	31.2	Very low	40.7	Very low	108 Å²	108	122.5 Å²	122.5	66%	0.655	63%	0.633	S	S	*	*			trans	-88.4	81.1	153.3	-173.1	0	0	0	0	106.9	Q270 H274	Q270-V272 VanDerWaalsContact C-N 3.28Å; Q270-V272 PolarHBondContact O-N 3.41Å; V272-H274 VanDerWaalsContact C-N 3.3Å; V272-H274 WeakPolarHBondContact CG1-CD2 3.31Å; V272-H274 WeakPolarHBondContact CG1-NE2 3.45Å; V272-H274 PolarHBondContact O-N 3Å
273	A	35.7	Very low	43.3	Very low	48 Å²	48	122.5 Å²	122.5	40%	0.397	64%	0.638	S	S	.	*			trans	-74.6	87.5	169.7	0	0	0	0	0	108.8	L271 T275	L271-A273 VanDerWaalsContact C-N 3.32Å; L271-A273 PolarHBondContact O-N 2.72Å; A273-T275 PolarHBondContact O-N 3.41Å
274	H	32.1	Very low	46	Very low	175 Å²	175	118.1 Å²	118.1	81%	0.81	61%	0.613	S	S	*	*			trans	-73.7	69.7	159.5	-77.8	-68.7	0	0	0	108.6	V272	V272-H274 VanDerWaalsContact C-N 3.3Å; V272-H274 WeakPolarHBondContact CG1-CD2 3.31Å; V272-H274 WeakPolarHBondContact CG1-NE2 3.45Å; V272-H274 PolarHBondContact O-N 3Å
275	T	40.7	Very low	48.5	Very low	69 Å²	69	114.4 Å²	114.4	42%	0.423	59%	0.586	S	S	.	*			trans	-116.6	129.2	173.7	55.2	0	0	0	0	109.9	A273 R277	A273-T275 PolarHBondContact O-N 3.41Å; T275-R277 PolarHBondContact O-N 3.01Å
276	P	40.4	Very low	51.1	Low	116 Å²	116	109 Å²	109	75%	0.753	57%	0.567	S	S	*	*			trans	-70.1	96.6	-171.1	27.1	-33.5	0	0	0	111.2	T278	P276-T278 PolarHBondContact O-N 3.1Å
277	R	44.9	Very low	53.3	Low	254 Å²	254	105.9 Å²	105.9	96%	0.958	54%	0.54	S	S	*	.	S	Bend	trans	42.5	28.8	168.6	-74.6	-173.8	166	158.4	-2	116	T275	T275-R277 PolarHBondContact O-N 3.01Å
278	T	53.6	Low	55.4	Low	83 Å²	83	104.4 Å²	104.4	51%	0.509	54%	0.538	S	S	.	.			trans	-78.5	131.3	176.5	45.2	0	0	0	0	108.8	P276 L280	P276-T278 PolarHBondContact O-N 3.1Å; T278-L280 PolarHBondContact O-N 3.08Å
279	R	63.5	Low	57.7	Low	198 Å²	198	100.8 Å²	100.8	75%	0.747	51%	0.512	S	S	*	.			trans	-68.8	89.6	-178.5	-64.9	-166.6	-78.5	-100.5	-2.5	109.5	K281 Q288	R279-K281 PolarHBondContact O-N 3.04Å; R279-Q288 HydrophobicContact CB-CG 4.02Å; R279-Q288 VanDerWaalsContact CB-NE2 3.29Å
280	L	74.8	Confident	59.3	Low	64 Å²	64	102.6 Å²	102.6	34%	0.335	51%	0.511	S	S	.	.			trans	-58.4	134.3	175.6	-66.9	173.5	0	0	0	109.6	T278 Q288 V289 V293	T278-L280 PolarHBondContact O-N 3.08Å; L280-Q288 CarbonylContact O-C 3.51Å; L280-Q288 VanDerWaalsContact O-CA 3.3Å; L280-Q288 WeakPolarHBondContact O-CA 3.33Å; L280-Q288 VanDerWaalsContact O-CG 3.3Å; L280-Q288 WeakPolarHBondContact O-CG 3.39Å; L280-V289 HydrophobicContact CB-CB 3.95Å; L280-V289 HydrophobicContact CB-CG2 4.46Å; L280-V289 PolarHBondContact O-N 3.09Å; L280-V293 HydrophobicContact CD1-CG2 3.97Å
281	K	78.5	Confident	60.7	Low	146 Å²	146	100.8 Å²	100.8	64%	0.635	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-117.7	130.8	178.3	-169.5	-174.2	-178	-174.6	0	108.7	R279 G286 E287	R279-K281 PolarHBondContact O-N 3.04Å; K281-G286 WeakPolarHBondContact CE-O 3.44Å; K281-E287 CarbonylContact C-O 3.58Å; K281-E287 WeakPolarHBondContact CA-O 3.34Å
282	C	77.8	Confident	62.1	Low	2 Å²	2	97.6 Å²	97.6	1%	0.014	49%	0.488	C	S	.	.			trans	-74.3	129.5	175.5	178.2	0	0	0	0	109.1	E284 C285 G286 E287 V289 H296 F297	C282-E284 VanDerWaalsContact C-N 3.31Å; C282-E284 PolarHBondContact SG-N 3.19Å; C282-E284 VanDerWaalsContact SG-N 3.41Å; C282-C285 VanDerWaalsContact CB-SG 3.52Å; C282-G286 WeakPolarHBondContact O-CA 3.34Å; C282-G286 PolarHBondContact O-N 3.11Å; C282-E287 PolarHBondContact N-O 3.43Å; C282-V289 HydrophobicContact CB-CG2 3.76Å; C282-H296 WeakPolarHBondContact CB-NE2 3.42Å; C282-H296 PolarHBondContact SG-NE2 2.88Å; C282-F297 HydrophobicContact CB-CZ 4.12Å
283	L	79.7	Confident	63.9	Low	172 Å²	172	93.6 Å²	93.6	90%	0.901	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-20.4	178.7	-62.6	178.6	0	0	0	112.6
284	E	78.8	Confident	65.3	Low	74 Å²	74	95.9 Å²	95.9	35%	0.346	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-46.4	-178.5	-55	-179.4	122.3	0	0	111.7	C282 T310 S311 C312 A315	C282-E284 VanDerWaalsContact C-N 3.31Å; C282-E284 PolarHBondContact SG-N 3.19Å; C282-E284 VanDerWaalsContact SG-N 3.41Å; E284-T310 VanDerWaalsContact OE1-CA 3.32Å; E284-T310 WeakPolarHBondContact OE1-CA 3.24Å; E284-T310 VanDerWaalsContact OE1-CB 3.28Å; E284-T310 WeakPolarHBondContact OE1-CB 3.33Å; E284-T310 PolarHBondContact OE1-OG1 2.81Å; E284-T310 PolarHBondContact OE2-OG1 3.36Å; E284-S311 PolarHBondContact OE2-N 3.41Å; E284-C312 HydrophobicContact CB-CB 3.89Å; E284-C312 HydrophobicContact CG-CB 4.43Å; E284-C312 WeakPolarHBondContact OE2-CA 3.48Å; E284-C312 WeakPolarHBondContact OE2-CB 3.48Å; E284-C312 PolarHBondContact OE2-N 3.17Å; E284-A315 HydrophobicContact CB-CB 3.47Å; E284-A315 VanDerWaalsContact CB-CB 3.47Å
285	C	75.2	Confident	67	Low	34 Å²	34	90.9 Å²	90.9	23%	0.23	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-12.5	177.4	73.2	0	0	0	0	114.5	C282 E287 H296 V314	C282-C285 VanDerWaalsContact CB-SG 3.52Å; C285-E287 PolarHBondContact O-N 3.24Å; C285-E287 PolarHBondContact SG-N 2.99Å; C285-E287 VanDerWaalsContact SG-N 3.45Å; C285-H296 PolarHBondContact SG-CE1 3.17Å; C285-V314 HydrophobicContact CB-CB 3.81Å; C285-V314 HydrophobicContact CB-CG1 3.75Å
286	G	77.6	Confident	68.4	Low	37 Å²	37	87.7 Å²	87.7	38%	0.381	42%	0.422	S	S	.	.			trans	75.1	2.1	-178.1	0	0	0	0	0	114.9	K281 C282	K281-G286 WeakPolarHBondContact CE-O 3.44Å; C282-G286 WeakPolarHBondContact O-CA 3.34Å; C282-G286 PolarHBondContact O-N 3.11Å
287	E	72.6	Confident	69.9	Low	45 Å²	45	84.4 Å²	84.4	21%	0.21	40%	0.396	C	S	.	.	S	Bend	trans	-91.1	161	-177.9	-60.8	-168.3	116.8	0	0	113.1	Y234 H240 K281 C282 C285 V289	Y234-E287 WeakPolarHBondContact CE2-OE2 3.49Å; Y234-E287 PolarHBondContact OH-OE2 2.96Å; H240-E287 IonicContact CD2-OE1 3.74Å; H240-E287 IonicContact CE1-OE1 3.83Å; H240-E287 IonicContact NE2-OE1 3.01Å; H240-E287 PolarHBondContact NE2-OE1 2.84Å; K281-E287 CarbonylContact C-O 3.58Å; K281-E287 WeakPolarHBondContact CA-O 3.34Å; C282-E287 PolarHBondContact N-O 3.43Å; C285-E287 PolarHBondContact O-N 3.24Å; C285-E287 PolarHBondContact SG-N 2.99Å; C285-E287 VanDerWaalsContact SG-N 3.45Å; E287-V289 PolarHBondContact O-N 2.95Å
288	Q	76.2	Confident	70.8	Confident	94 Å²	94	74 Å²	74	44%	0.439	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-71	118.5	173.3	-167.7	-175.7	-20.9	0	0	110.3	R279 L280 R290	R279-Q288 HydrophobicContact CB-CG 4.02Å; R279-Q288 VanDerWaalsContact CB-NE2 3.29Å; L280-Q288 CarbonylContact O-C 3.51Å; L280-Q288 VanDerWaalsContact O-CA 3.3Å; L280-Q288 WeakPolarHBondContact O-CA 3.33Å; L280-Q288 VanDerWaalsContact O-CG 3.3Å; L280-Q288 WeakPolarHBondContact O-CG 3.39Å; Q288-R290 PolarHBondContact O-N 2.93Å; Q288-R290 VanDerWaalsContact O-N 3.14Å
289	V	74.2	Confident	71.3	Confident	8 Å²	8	70.7 Å²	70.7	5%	0.048	34%	0.338	C	S	.	.			trans	-67.1	111.1	172.8	-176.3	0	0	0	0	108.3	L280 C282 E287 V293 H296 F297	L280-V289 HydrophobicContact CB-CB 3.95Å; L280-V289 HydrophobicContact CB-CG2 4.46Å; L280-V289 PolarHBondContact O-N 3.09Å; C282-V289 HydrophobicContact CB-CG2 3.76Å; E287-V289 PolarHBondContact O-N 2.95Å; V289-V293 HydrophobicContact CG1-CB 4.22Å; V289-V293 HydrophobicContact CG1-CG1 3.99Å; V289-V293 HydrophobicContact CG1-CG2 3.96Å; V289-H296 HydrophobicContact CG1-CB 4.11Å; V289-F297 HydrophobicContact CB-CE2 4.45Å; V289-F297 HydrophobicContact CG1-CD2 4.5Å; V289-F297 HydrophobicContact CG1-CE2 3.87Å; V289-F297 HydrophobicContact CG2-CE2 3.72Å; V289-F297 HydrophobicContact CG2-CZ 3.79Å
290	R	68.4	Low	71.6	Confident	144 Å²	144	64.5 Å²	64.5	54%	0.543	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-89.1	149	175.9	-70.2	176.9	-177.3	170.7	1.4	109.8	W231 Q288 P292	W231-R290 HydrophobicContact CH2-CB 3.32Å; W231-R290 HydrophobicContact CZ3-CB 3.33Å; W231-R290 HydrophobicContact CZ3-CG 4.13Å; Q288-R290 PolarHBondContact O-N 2.93Å; Q288-R290 VanDerWaalsContact O-N 3.14Å; R290-P292 CarbonylContact O-C 3.54Å
291	H	61.7	Low	71.3	Confident	132 Å²	132	63.1 Å²	63.1	61%	0.611	32%	0.316	S	S	*	.	S	Bend	trans	-76	145.9	177.5	-81.1	-86.5	0	0	0	112.1
292	P	65.9	Low	70.9	Confident	47 Å²	47	60.8 Å²	60.8	31%	0.305	32%	0.318	S	S	.	.	S	Bend	cis	-79.2	134.3	-1	31.1	-33.5	0	0	0	112.8	R290 H294 K295	R290-P292 CarbonylContact O-C 3.54Å; P292-H294 WeakPolarHBondContact CB-CE1 3.44Å; P292-H294 PolarHBondContact O-N 3.03Å; P292-K295 HydrophobicContact CG-CD 3.94Å; P292-K295 HydrophobicContact CG-CG 3.98Å; P292-K295 PolarHBondContact O-N 2.79Å
293	V	69.1	Low	70.5	Confident	24 Å²	24	61.5 Å²	61.5	15%	0.145	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-56.1	-36.1	-173.5	172.9	0	0	0	0	112.6	L280 V289 K295 H296 F297	L280-V293 HydrophobicContact CD1-CG2 3.97Å; V289-V293 HydrophobicContact CG1-CB 4.22Å; V289-V293 HydrophobicContact CG1-CG1 3.99Å; V289-V293 HydrophobicContact CG1-CG2 3.96Å; V293-K295 PolarHBondContact O-N 3.42Å; V293-K295 VanDerWaalsContact O-N 3.08Å; V293-H296 PolarHBondContact O-N 3.49Å; V293-F297 HydrophobicContact CG1-CD2 3.66Å; V293-F297 HydrophobicContact CG1-CE2 3.98Å; V293-F297 PolarHBondContact O-N 2.86Å
294	H	66.7	Low	69.8	Low	96 Å²	96	58.1 Å²	58.1	44%	0.444	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-61.3	-18	179.6	66.4	-108.2	0	0	0	113.6	P292 F297 N298	P292-H294 WeakPolarHBondContact CB-CE1 3.44Å; P292-H294 PolarHBondContact O-N 3.03Å; H294-F297 CarbonylContact O-C 3.4Å; H294-N298 WeakPolarHBondContact O-CA 3.42Å; H294-N298 WeakPolarHBondContact O-CB 3.27Å; H294-N298 PolarHBondContact O-N 3.18Å; H294-N298 VanDerWaalsContact O-N 3.1Å
295	K	66.8	Low	69.1	Low	70 Å²	70	61.9 Å²	61.9	30%	0.304	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-78.8	-27.7	175.6	-72.4	-171.3	-179.6	-170.6	0	113.1	W231 L235 P292 V293	W231-K295 HydrophobicContact CZ2-CB 4.21Å; W231-K295 HydrophobicContact CZ2-CD 4.19Å; L235-K295 HydrophobicContact CD1-CB 3.61Å; L235-K295 HydrophobicContact CD1-CD 4.03Å; L235-K295 HydrophobicContact CD1-CG 4.36Å; P292-K295 HydrophobicContact CG-CD 3.94Å; P292-K295 HydrophobicContact CG-CG 3.98Å; P292-K295 PolarHBondContact O-N 2.79Å; V293-K295 PolarHBondContact O-N 3.42Å; V293-K295 VanDerWaalsContact O-N 3.08Å
296	H	70.4	Confident	69.1	Low	2 Å²	2	62.9 Å²	62.9	1%	0.009	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-37.2	175	-171.7	92.2	0	0	0	111.2	C282 C285 V289 V293 C312	C282-H296 WeakPolarHBondContact CB-NE2 3.42Å; C282-H296 PolarHBondContact SG-NE2 2.88Å; C285-H296 PolarHBondContact SG-CE1 3.17Å; V289-H296 HydrophobicContact CG1-CB 4.11Å; V293-H296 PolarHBondContact O-N 3.49Å; H296-C312 PolarHBondContact NE2-SG 3.16Å
297	F	70.9	Confident	69.3	Low	46 Å²	46	71.5 Å²	71.5	20%	0.202	36%	0.364	C	S	.	.	S	Bend	trans	-112.8	56	177	-50.5	-75	0	0	0	111.1	Y267 C282 V289 V293 H294 M299 S311	Y267-F297 WeakPolarHBondContact OH-CB 3.48Å; Y267-F297 PolarHBondContact OH-O 2.86Å; C282-F297 HydrophobicContact CB-CZ 4.12Å; V289-F297 HydrophobicContact CB-CE2 4.45Å; V289-F297 HydrophobicContact CG1-CD2 4.5Å; V289-F297 HydrophobicContact CG1-CE2 3.87Å; V289-F297 HydrophobicContact CG2-CE2 3.72Å; V289-F297 HydrophobicContact CG2-CZ 3.79Å; V293-F297 HydrophobicContact CG1-CD2 3.66Å; V293-F297 HydrophobicContact CG1-CE2 3.98Å; V293-F297 PolarHBondContact O-N 2.86Å; H294-F297 CarbonylContact O-C 3.4Å; F297-M299 VanDerWaalsContact C-N 3.35Å; F297-S311 WeakPolarHBondContact CA-O 3.35Å
298	N	63.9	Low	69.5	Low	36 Å²	36	72.7 Å²	72.7	19%	0.193	37%	0.367	C	S	.	.	S	Bend	trans	-78.6	-19.7	-175.6	62.2	0.1	0	0	0	113.5	H294	H294-N298 WeakPolarHBondContact O-CA 3.42Å; H294-N298 WeakPolarHBondContact O-CB 3.27Å; H294-N298 PolarHBondContact O-N 3.18Å; H294-N298 VanDerWaalsContact O-N 3.1Å
299	M	65.3	Low	69.6	Low	13 Å²	13	70.8 Å²	70.8	6%	0.064	37%	0.367	C	S	.	.			trans	-164.1	149.6	-174.5	158	172.8	37.3	0	0	111.2	L23 I26 R151 F297 L301 S311	L23-M299 HydrophobicContact CD1-CE 3.59Å; L23-M299 HydrophobicContact CD1-SD 3.95Å; I26-M299 HydrophobicContact CB-SD 3.86Å; I26-M299 HydrophobicContact CD1-CE 3.41Å; I26-M299 VanDerWaalsContact CD1-CE 3.41Å; I26-M299 HydrophobicContact CD1-CG 4.45Å; I26-M299 HydrophobicContact CD1-SD 3.06Å; I26-M299 WeakPolarHBondContact CD1-SD 3.36Å; I26-M299 HydrophobicContact CG1-CE 4.29Å; I26-M299 HydrophobicContact CG1-CG 4.49Å; I26-M299 HydrophobicContact CG1-SD 3.27Å; I26-M299 WeakPolarHBondContact CG1-SD 3.28Å; I26-M299 HydrophobicContact CG2-CB 3.93Å; I26-M299 HydrophobicContact CG2-CG 3.38Å; I26-M299 HydrophobicContact CG2-SD 3.31Å; I26-M299 WeakPolarHBondContact CG2-SD 3.1Å; R151-M299 VanDerWaalsContact CD-CE 3.44Å; R151-M299 HydrophobicContact CG-CE 4.06Å; F297-M299 VanDerWaalsContact C-N 3.35Å; M299-L301 HydrophobicContact CE-CD2 3.73Å; M299-L301 HydrophobicContact CE-CG 4.45Å; M299-L301 HydrophobicContact CG-CD2 4.11Å; M299-L301 HydrophobicContact CG-CG 4.29Å; M299-L301 HydrophobicContact SD-CD2 3.55Å; M299-L301 VanDerWaalsContact SD-CD2 3.55Å; M299-L301 HydrophobicContact SD-CG 4.34Å; M299-S311 CarbonylContact O-C 3.56Å; M299-S311 VanDerWaalsContact O-CA 3.24Å; M299-S311 WeakPolarHBondContact O-CA 3.34Å
300	T	70.1	Confident	69.7	Low	68 Å²	68	70.5 Å²	70.5	42%	0.417	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-86.9	118.5	162.9	-51.9	0	0	0	0	111.8	A309 T310 S311	T300-A309 HydrophobicContact CG2-CB 4.41Å; T300-T310 CarbonylContact C-O 3.37Å; T300-T310 WeakPolarHBondContact CA-O 3.45Å; T300-S311 PolarHBondContact OG1-OG 3.25Å
301	L	67.1	Low	70.1	Confident	35 Å²	35	64.7 Å²	64.7	18%	0.183	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123	173.7	-66	173	0	0	0	109.8	L23 M299 A309 T310 I313 A316	L23-L301 HydrophobicContact CD1-CD2 3.45Å; L23-L301 VanDerWaalsContact CD1-CD2 3.45Å; M299-L301 HydrophobicContact CE-CD2 3.73Å; M299-L301 HydrophobicContact CE-CG 4.45Å; M299-L301 HydrophobicContact CG-CD2 4.11Å; M299-L301 HydrophobicContact CG-CG 4.29Å; M299-L301 HydrophobicContact SD-CD2 3.55Å; M299-L301 VanDerWaalsContact SD-CD2 3.55Å; M299-L301 HydrophobicContact SD-CG 4.34Å; L301-A309 CarbonylContact O-C 3.39Å; L301-A309 WeakPolarHBondContact O-CA 3.49Å; L301-T310 HydrophobicContact CB-CG2 4.49Å; L301-T310 PolarHBondContact N-O 3.44Å; L301-T310 PolarHBondContact O-N 2.95Å; L301-I313 HydrophobicContact CD1-CD1 3.71Å; L301-A316 HydrophobicContact CB-CB 4.3Å; L301-A316 HydrophobicContact CD1-CB 3.46Å; L301-A316 VanDerWaalsContact CD1-CB 3.46Å
302	S	71.5	Confident	70.7	Confident	97 Å²	97	58.4 Å²	58.4	68%	0.678	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.3	169.4	58.9	0	0	0	0	110.7	A304	S302-A304 PolarHBondContact O-N 3.34Å
303	C	67.6	Low	70.8	Confident	17 Å²	17	56.9 Å²	56.9	12%	0.115	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.1	127.2	173.6	-179	0	0	0	0	110.5	R305 C306 Y308 H319 H324	C303-R305 PolarHBondContact O-N 3.1Å; C303-R305 PolarHBondContact SG-N 2.86Å; C303-R305 VanDerWaalsContact SG-N 3.38Å; C303-C306 VanDerWaalsContact SG-SG 3.62Å; C303-Y308 VanDerWaalsContact CB-O 3.32Å; C303-Y308 WeakPolarHBondContact CB-O 3.25Å; C303-Y308 PolarHBondContact N-O 3.11Å; C303-H319 WeakPolarHBondContact CB-NE2 3.48Å; C303-H319 PolarHBondContact SG-NE2 3.08Å; C303-H324 PolarHBondContact SG-NE2 3.42Å
304	A	65.1	Low	70.9	Confident	101 Å²	101	56.4 Å²	56.4	84%	0.835	31%	0.305	S	S	*	.	S	Bend	trans	-71.6	-13.9	177.6	0	0	0	0	0	113.8	S302	S302-A304 PolarHBondContact O-N 3.34Å
305	R	64.5	Low	71.3	Confident	154 Å²	154	52 Å²	52	58%	0.581	28%	0.284	S	S	*	.	S	Bend	trans	-105.3	-14.5	-174.4	-76.5	-176.2	157.1	-161.8	-11.8	114.2	C303 W320 H324	C303-R305 PolarHBondContact O-N 3.1Å; C303-R305 PolarHBondContact SG-N 2.86Å; C303-R305 VanDerWaalsContact SG-N 3.38Å; R305-W320 HydrophobicContact CG-CH2 4.26Å; R305-H324 VanDerWaalsContact CB-CE1 3.48Å; R305-H324 WeakPolarHBondContact CB-CE1 3.33Å
306	C	75.5	Confident	71.6	Confident	55 Å²	55	49.3 Å²	49.3	37%	0.372	28%	0.275	S	S	.	.	S	Bend	trans	-154	177.6	179.1	73.9	0	0	0	0	110.8	C303 Y308 H319	C303-C306 VanDerWaalsContact SG-SG 3.62Å; C306-Y308 PolarHBondContact O-N 3.47Å; C306-Y308 VanDerWaalsContact O-N 3.13Å; C306-Y308 WeakPolarHBondContact SG-CB 3.49Å; C306-Y308 PolarHBondContact SG-N 3.38Å; C306-H319 PolarHBondContact SG-CE1 3.39Å; C306-H319 PolarHBondContact SG-NE2 3.17Å
307	K	81.7	Confident	71.4	Confident	217 Å²	217	50.4 Å²	50.4	94%	0.943	28%	0.281	S	S	*	.	S	Bend	trans	-75.8	6.1	-178.1	-60.8	-176	179.2	-178.4	0	114.4
308	Y	77.1	Confident	71.2	Confident	70 Å²	70	53 Å²	53	28%	0.275	29%	0.29	S	S	.	.			trans	-70.8	132.1	-179	-177.2	-95.8	0	0	0	110.6	C303 C306 T310 A315 H319	C303-Y308 VanDerWaalsContact CB-O 3.32Å; C303-Y308 WeakPolarHBondContact CB-O 3.25Å; C303-Y308 PolarHBondContact N-O 3.11Å; C306-Y308 PolarHBondContact O-N 3.47Å; C306-Y308 VanDerWaalsContact O-N 3.13Å; C306-Y308 WeakPolarHBondContact SG-CB 3.49Å; C306-Y308 PolarHBondContact SG-N 3.38Å; Y308-T310 HydrophobicContact CD1-CG2 4.37Å; Y308-T310 HydrophobicContact CE1-CG2 3.43Å; Y308-T310 VanDerWaalsContact CE1-CG2 3.43Å; Y308-A315 PolarHBondContact OH-O 3.26Å; Y308-H319 WeakPolarHBondContact CB-CE1 3.32Å; Y308-H319 HydrophobicContact CD1-CB 3.59Å; Y308-H319 AromaticContact CD1-CD2 3.28Å; Y308-H319 WeakPolarHBondContact CD1-CD2 3.18Å; Y308-H319 AromaticContact CD1-CE1 3.89Å; Y308-H319 AromaticContact CD1-CG 3.12Å; Y308-H319 AromaticContact CD1-ND1 3.53Å; Y308-H319 AromaticContact CD1-NE2 3.78Å; Y308-H319 HydrophobicContact CD2-CB 4.45Å; Y308-H319 AromaticContact CD2-ND1 3.65Å; Y308-H319 HydrophobicContact CE1-CB 3.2Å; Y308-H319 AromaticContact CE1-CD2 3.85Å; Y308-H319 AromaticContact CE1-CG 3.37Å; Y308-H319 HydrophobicContact CE2-CB 4.17Å; Y308-H319 HydrophobicContact CG-CB 4.18Å; Y308-H319 AromaticContact CG-CD2 3.79Å; Y308-H319 AromaticContact CG-CE1 3.55Å; Y308-H319 AromaticContact CG-CG 3.47Å; Y308-H319 VanDerWaalsContact CG-CG 3.47Å; Y308-H319 AromaticContact CG-ND1 3.3Å; Y308-H319 VanDerWaalsContact CG-ND1 3.3Å; Y308-H319 AromaticContact CG-NE2 3.84Å; Y308-H319 AromaticContact CZ-CG 3.94Å
309	A	77.3	Confident	71.6	Confident	54 Å²	54	52.4 Å²	52.4	45%	0.446	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.6	169.4	0	0	0	0	0	109	T300 L301	T300-A309 HydrophobicContact CG2-CB 4.41Å; L301-A309 CarbonylContact O-C 3.39Å; L301-A309 WeakPolarHBondContact O-CA 3.49Å
310	T	77.6	Confident	71.4	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	149	-175.4	178.5	0	0	0	0	110.7	E284 T300 L301 Y308 C312 A316	E284-T310 VanDerWaalsContact OE1-CA 3.32Å; E284-T310 WeakPolarHBondContact OE1-CA 3.24Å; E284-T310 VanDerWaalsContact OE1-CB 3.28Å; E284-T310 WeakPolarHBondContact OE1-CB 3.33Å; E284-T310 PolarHBondContact OE1-OG1 2.81Å; E284-T310 PolarHBondContact OE2-OG1 3.36Å; T300-T310 CarbonylContact C-O 3.37Å; T300-T310 WeakPolarHBondContact CA-O 3.45Å; L301-T310 HydrophobicContact CB-CG2 4.49Å; L301-T310 PolarHBondContact N-O 3.44Å; L301-T310 PolarHBondContact O-N 2.95Å; Y308-T310 HydrophobicContact CD1-CG2 4.37Å; Y308-T310 HydrophobicContact CE1-CG2 3.43Å; Y308-T310 VanDerWaalsContact CE1-CG2 3.43Å; T310-C312 PolarHBondContact OG1-N 2.99Å; T310-A316 HydrophobicContact CG2-CB 3.57Å
311	S	75.8	Confident	71	Confident	22 Å²	22	51.6 Å²	51.6	15%	0.154	28%	0.279	C	S	.	.	S	Bend	trans	-97.6	-8.4	172.3	-63.7	0	0	0	0	113.2	E284 F297 M299 T300	E284-S311 PolarHBondContact OE2-N 3.41Å; F297-S311 WeakPolarHBondContact CA-O 3.35Å; M299-S311 CarbonylContact O-C 3.56Å; M299-S311 VanDerWaalsContact O-CA 3.24Å; M299-S311 WeakPolarHBondContact O-CA 3.34Å; T300-S311 PolarHBondContact OG1-OG 3.25Å
312	C	74.3	Confident	71.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.			trans	-90.5	117.6	175.5	178.9	0	0	0	0	110.5	E284 H296 T310 V314 A315 A316	E284-C312 HydrophobicContact CB-CB 3.89Å; E284-C312 HydrophobicContact CG-CB 4.43Å; E284-C312 WeakPolarHBondContact OE2-CA 3.48Å; E284-C312 WeakPolarHBondContact OE2-CB 3.48Å; E284-C312 PolarHBondContact OE2-N 3.17Å; H296-C312 PolarHBondContact NE2-SG 3.16Å; T310-C312 PolarHBondContact OG1-N 2.99Å; C312-V314 PolarHBondContact O-N 3.31Å; C312-A315 HydrophobicContact CB-CB 3.74Å; C312-A315 PolarHBondContact O-N 3.41Å; C312-A315 VanDerWaalsContact O-N 3.12Å; C312-A315 PolarHBondContact SG-N 3.26Å; C312-A315 VanDerWaalsContact SG-N 3.37Å; C312-A316 PolarHBondContact O-N 2.97Å
313	I	69.6	Low	70.9	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.072	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-37.5	175.3	-168.8	65.2	0	0	0	112.2	L235 L301 A316 N317	L235-I313 WeakPolarHBondContact O-CG2 3.48Å; L301-I313 HydrophobicContact CD1-CD1 3.71Å; I313-A316 PolarHBondContact O-N 2.86Å; I313-N317 PolarHBondContact O-N 2.87Å; I313-N317 VanDerWaalsContact O-N 3.14Å
314	V	71.1	Confident	70.7	Confident	15 Å²	15	54.2 Å²	54.2	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-42.2	178.4	-175.6	0	0	0	0	110.6	C285 C312 N317 W318	C285-V314 HydrophobicContact CB-CB 3.81Å; C285-V314 HydrophobicContact CB-CG1 3.75Å; C312-V314 PolarHBondContact O-N 3.31Å; V314-N317 PolarHBondContact O-N 3.37Å; V314-W318 WeakPolarHBondContact O-CB 3.38Å; V314-W318 PolarHBondContact O-N 3.25Å
315	A	75.1	Confident	70.2	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-33.2	177.7	0	0	0	0	0	112.3	E284 Y308 C312 W318 H319	E284-A315 HydrophobicContact CB-CB 3.47Å; E284-A315 VanDerWaalsContact CB-CB 3.47Å; Y308-A315 PolarHBondContact OH-O 3.26Å; C312-A315 HydrophobicContact CB-CB 3.74Å; C312-A315 PolarHBondContact O-N 3.41Å; C312-A315 VanDerWaalsContact O-N 3.12Å; C312-A315 PolarHBondContact SG-N 3.26Å; C312-A315 VanDerWaalsContact SG-N 3.37Å; A315-W318 WeakPolarHBondContact O-CB 3.49Å; A315-W318 PolarHBondContact O-N 3.45Å; A315-H319 WeakPolarHBondContact O-CB 3.2Å; A315-H319 PolarHBondContact O-N 2.9Å
316	A	71.4	Confident	68.9	Low	14 Å²	14	45.2 Å²	45.2	12%	0.116	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-47.6	173.4	0	0	0	0	0	111.6	L301 T310 C312 I313 W318 H319 W320	L301-A316 HydrophobicContact CB-CB 4.3Å; L301-A316 HydrophobicContact CD1-CB 3.46Å; L301-A316 VanDerWaalsContact CD1-CB 3.46Å; T310-A316 HydrophobicContact CG2-CB 3.57Å; C312-A316 PolarHBondContact O-N 2.97Å; I313-A316 PolarHBondContact O-N 2.86Å; A316-W318 VanDerWaalsContact C-N 3.27Å; A316-W318 PolarHBondContact O-N 3.48Å; A316-H319 PolarHBondContact O-N 2.86Å; A316-W320 PolarHBondContact O-N 3.34Å
317	N	65.9	Low	66.9	Low	25 Å²	25	47.7 Å²	47.7	13%	0.134	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-39	174.9	-71.3	-17.1	0	0	0	111.5	I313 V314 S321	I313-N317 PolarHBondContact O-N 2.87Å; I313-N317 VanDerWaalsContact O-N 3.14Å; V314-N317 PolarHBondContact O-N 3.37Å; N317-S321 WeakPolarHBondContact O-CB 3.28Å; N317-S321 PolarHBondContact O-N 2.83Å; N317-S321 PolarHBondContact O-OG 3.38Å
318	W	67.4	Low	64.5	Low	101 Å²	101	40.5 Å²	40.5	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-68.1	-45.1	178.1	-164.5	64.6	0	0	0	113.1	P245 V314 A315 A316 W320 S321 K322	P245-W318 VanDerWaalsContact CD-CZ2 3.46Å; P245-W318 HydrophobicContact CG-CH2 3.45Å; P245-W318 VanDerWaalsContact CG-CH2 3.45Å; P245-W318 HydrophobicContact CG-CZ2 3.13Å; V314-W318 WeakPolarHBondContact O-CB 3.38Å; V314-W318 PolarHBondContact O-N 3.25Å; A315-W318 WeakPolarHBondContact O-CB 3.49Å; A315-W318 PolarHBondContact O-N 3.45Å; A316-W318 VanDerWaalsContact C-N 3.27Å; A316-W318 PolarHBondContact O-N 3.48Å; W318-W320 VanDerWaalsContact C-N 3.34Å; W318-W320 PolarHBondContact O-N 3.37Å; W318-S321 WeakPolarHBondContact CA-OG 3.45Å; W318-S321 PolarHBondContact O-N 2.98Å; W318-S321 PolarHBondContact O-OG 3.29Å; W318-K322 HydrophobicContact CD2-CD 3.97Å; W318-K322 VanDerWaalsContact CE2-CD 3.46Å; W318-K322 HydrophobicContact CE3-CD 4.46Å; W318-K322 HydrophobicContact CH2-CD 4.1Å; W318-K322 HydrophobicContact CZ2-CD 3.56Å; W318-K322 VanDerWaalsContact NE1-CE 3.32Å; W318-K322 WeakPolarHBondContact O-CB 3.36Å; W318-K322 PolarHBondContact O-N 3.42Å
319	H	72.9	Confident	62.4	Low	23 Å²	23	44 Å²	44	11%	0.106	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-50	175	166.5	70.8	0	0	0	110.6	C303 C306 Y308 A315 A316 K322 A323 H324	C303-H319 WeakPolarHBondContact CB-NE2 3.48Å; C303-H319 PolarHBondContact SG-NE2 3.08Å; C306-H319 PolarHBondContact SG-CE1 3.39Å; C306-H319 PolarHBondContact SG-NE2 3.17Å; Y308-H319 WeakPolarHBondContact CB-CE1 3.32Å; Y308-H319 HydrophobicContact CD1-CB 3.59Å; Y308-H319 AromaticContact CD1-CD2 3.28Å; Y308-H319 WeakPolarHBondContact CD1-CD2 3.18Å; Y308-H319 AromaticContact CD1-CE1 3.89Å; Y308-H319 AromaticContact CD1-CG 3.12Å; Y308-H319 AromaticContact CD1-ND1 3.53Å; Y308-H319 AromaticContact CD1-NE2 3.78Å; Y308-H319 HydrophobicContact CD2-CB 4.45Å; Y308-H319 AromaticContact CD2-ND1 3.65Å; Y308-H319 HydrophobicContact CE1-CB 3.2Å; Y308-H319 AromaticContact CE1-CD2 3.85Å; Y308-H319 AromaticContact CE1-CG 3.37Å; Y308-H319 HydrophobicContact CE2-CB 4.17Å; Y308-H319 HydrophobicContact CG-CB 4.18Å; Y308-H319 AromaticContact CG-CD2 3.79Å; Y308-H319 AromaticContact CG-CE1 3.55Å; Y308-H319 AromaticContact CG-CG 3.47Å; Y308-H319 VanDerWaalsContact CG-CG 3.47Å; Y308-H319 AromaticContact CG-ND1 3.3Å; Y308-H319 VanDerWaalsContact CG-ND1 3.3Å; Y308-H319 AromaticContact CG-NE2 3.84Å; Y308-H319 AromaticContact CZ-CG 3.94Å; A315-H319 WeakPolarHBondContact O-CB 3.2Å; A315-H319 PolarHBondContact O-N 2.9Å; A316-H319 PolarHBondContact O-N 2.86Å; H319-K322 PolarHBondContact O-N 3.29Å; H319-A323 WeakPolarHBondContact O-CA 3.3Å; H319-A323 WeakPolarHBondContact O-CB 3.27Å; H319-A323 PolarHBondContact O-N 3.24Å; H319-H324 AromaticContact NE2-CD2 3.77Å; H319-H324 AromaticContact NE2-NE2 3.4Å; H319-H324 PolarHBondContact NE2-NE2 3.29Å
320	W	60	Low	60	Low	36 Å²	36	48.6 Å²	48.6	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-45.9	-179	-161.7	-91.9	0	0	0	112	L138 R305 A316 W318 K322 H324 C325	L138-W320 HydrophobicContact CD1-CD2 4.49Å; R305-W320 HydrophobicContact CG-CH2 4.26Å; A316-W320 PolarHBondContact O-N 3.34Å; W318-W320 VanDerWaalsContact C-N 3.34Å; W318-W320 PolarHBondContact O-N 3.37Å; W320-K322 VanDerWaalsContact C-N 3.29Å; W320-K322 PolarHBondContact O-N 3.47Å; W320-H324 HydrophobicContact CD2-CB 4.08Å; W320-H324 AromaticContact CD2-CD2 3.8Å; W320-H324 AromaticContact CE3-CD2 3.41Å; W320-H324 VanDerWaalsContact CE3-CD2 3.41Å; W320-H324 HydrophobicContact CG-CB 4.32Å; W320-H324 HydrophobicContact CZ2-CB 4.46Å; W320-H324 AromaticContact CZ3-CD2 3.66Å; W320-H324 CarbonylContact O-C 3.41Å; W320-H324 WeakPolarHBondContact O-CA 3.42Å; W320-H324 WeakPolarHBondContact O-CB 3.48Å; W320-H324 PolarHBondContact O-N 3.1Å; W320-C325 PolarHBondContact O-N 2.78Å
321	S	62.9	Low	57.5	Low	29 Å²	29	58 Å²	58	20%	0.203	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-32.8	179.9	58.5	0	0	0	0	113.3	N317 W318 C325	N317-S321 WeakPolarHBondContact O-CB 3.28Å; N317-S321 PolarHBondContact O-N 2.83Å; N317-S321 PolarHBondContact O-OG 3.38Å; W318-S321 WeakPolarHBondContact CA-OG 3.45Å; W318-S321 PolarHBondContact O-N 2.98Å; W318-S321 PolarHBondContact O-OG 3.29Å; S321-C325 WeakPolarHBondContact O-CB 3.35Å
322	K	68.9	Low	55.1	Low	103 Å²	103	64.3 Å²	64.3	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-90	-39.9	178.7	-74.8	-166.7	161.7	-163.2	0	115.1	W318 H319 W320	W318-K322 HydrophobicContact CD2-CD 3.97Å; W318-K322 VanDerWaalsContact CE2-CD 3.46Å; W318-K322 HydrophobicContact CE3-CD 4.46Å; W318-K322 HydrophobicContact CH2-CD 4.1Å; W318-K322 HydrophobicContact CZ2-CD 3.56Å; W318-K322 VanDerWaalsContact NE1-CE 3.32Å; W318-K322 WeakPolarHBondContact O-CB 3.36Å; W318-K322 PolarHBondContact O-N 3.42Å; H319-K322 PolarHBondContact O-N 3.29Å; W320-K322 VanDerWaalsContact C-N 3.29Å; W320-K322 PolarHBondContact O-N 3.47Å
323	A	67.9	Low	52.7	Low	56 Å²	56	69.4 Å²	69.4	46%	0.463	37%	0.373	S	S	.	.	H	α-helix	trans	-92.2	-22	-172.2	0	0	0	0	0	112.7	H319	H319-A323 WeakPolarHBondContact O-CA 3.3Å; H319-A323 WeakPolarHBondContact O-CB 3.27Å; H319-A323 PolarHBondContact O-N 3.24Å
324	H	63.6	Low	50.7	Low	44 Å²	44	74.6 Å²	74.6	20%	0.204	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-23.3	-173.9	-62.1	-41.5	0	0	0	114.9	C303 R305 H319 W320	C303-H324 PolarHBondContact SG-NE2 3.42Å; R305-H324 VanDerWaalsContact CB-CE1 3.48Å; R305-H324 WeakPolarHBondContact CB-CE1 3.33Å; H319-H324 AromaticContact NE2-CD2 3.77Å; H319-H324 AromaticContact NE2-NE2 3.4Å; H319-H324 PolarHBondContact NE2-NE2 3.29Å; W320-H324 HydrophobicContact CD2-CB 4.08Å; W320-H324 AromaticContact CD2-CD2 3.8Å; W320-H324 AromaticContact CE3-CD2 3.41Å; W320-H324 VanDerWaalsContact CE3-CD2 3.41Å; W320-H324 HydrophobicContact CG-CB 4.32Å; W320-H324 HydrophobicContact CZ2-CB 4.46Å; W320-H324 AromaticContact CZ3-CD2 3.66Å; W320-H324 CarbonylContact O-C 3.41Å; W320-H324 WeakPolarHBondContact O-CA 3.42Å; W320-H324 WeakPolarHBondContact O-CB 3.48Å; W320-H324 PolarHBondContact O-N 3.1Å
325	C	53	Low	48.7	Very low	15 Å²	15	79.4 Å²	79.4	10%	0.101	44%	0.436	C	S	.	.	S	Bend	trans	-94.6	140.9	166.2	-64.1	0	0	0	0	110.3	Y137 W320 S321	Y137-C325 HydrophobicContact CE2-CB 4.34Å; W320-C325 PolarHBondContact O-N 2.78Å; S321-C325 WeakPolarHBondContact O-CB 3.35Å
326	A	39	Very low	46.5	Very low	52 Å²	52	86.1 Å²	86.1	43%	0.43	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-60.6	146.4	171.1	0	0	0	0	0	109.6
327	P	33.1	Very low	44.5	Very low	107 Å²	107	92.4 Å²	92.4	70%	0.695	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-62.9	153.4	-170.5	25.7	-33.9	0	0	0	111.9	I329	P327-I329 PolarHBondContact O-N 2.91Å
328	P	31.7	Very low	42.8	Very low	66 Å²	66	97.1 Å²	97.1	43%	0.429	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-56.4	136.6	176.5	27.4	-38.5	0	0	0	110.9	L242 Q330	L242-P328 HydrophobicContact CB-CG 4.08Å; L242-P328 HydrophobicContact CD1-CB 3.36Å; L242-P328 HydrophobicContact CD1-CG 3.4Å; L242-P328 HydrophobicContact CD2-CG 3.76Å; L242-P328 HydrophobicContact CG-CB 4.38Å; L242-P328 HydrophobicContact CG-CG 3.89Å; P328-Q330 PolarHBondContact O-N 2.74Å
329	I	32.9	Very low	41	Very low	143 Å²	143	100.6 Å²	100.6	73%	0.733	55%	0.554	S	S	*	*			trans	-56.8	111.9	169.1	-60.8	171.4	0	0	0	106.2	P327 Q331 F332	P327-I329 PolarHBondContact O-N 2.91Å; I329-Q331 PolarHBondContact O-N 3.41Å; I329-F332 HydrophobicContact CG2-CD2 4.45Å
330	Q	26.1	Very low	38.9	Very low	150 Å²	150	104.5 Å²	104.5	70%	0.701	58%	0.581	S	S	*	*			trans	-50.5	134.9	170.9	-76.2	177.3	-32	0	0	107.5	P328 F332	P328-Q330 PolarHBondContact O-N 2.74Å; Q330-F332 HydrophobicContact CB-CE2 4.45Å; Q330-F332 VanDerWaalsContact O-CD2 3.23Å; Q330-F332 WeakPolarHBondContact O-CD2 3.44Å; Q330-F332 PolarHBondContact O-N 2.93Å
331	Q	24.2	Very low	37.3	Very low	200 Å²	200	114.5 Å²	114.5	94%	0.935	62%	0.619	S	S	*	*			trans	-56.4	90.6	173.4	-72.2	175.5	-28.1	0	0	108.4	I329 S333	I329-Q331 PolarHBondContact O-N 3.41Å; Q331-S333 PolarHBondContact O-N 2.96Å; Q331-S333 VanDerWaalsContact O-N 3.12Å
332	F	25.8	Very low	35.6	Very low	155 Å²	155	121.3 Å²	121.3	68%	0.68	65%	0.648	S	S	*	*			trans	-70.5	109.2	169.5	-82.1	-82.1	0	0	0	105.6	I329 Q330 V334	I329-F332 HydrophobicContact CG2-CD2 4.45Å; Q330-F332 HydrophobicContact CB-CE2 4.45Å; Q330-F332 VanDerWaalsContact O-CD2 3.23Å; Q330-F332 WeakPolarHBondContact O-CD2 3.44Å; Q330-F332 PolarHBondContact O-N 2.93Å; F332-V334 PolarHBondContact O-N 3.12Å
333	S	25.3	Very low	33.5	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	67%	0.668	S	S	*	*			trans	-47.6	109.8	157.9	48.5	0	0	0	0	107.2	Q331 P335	Q331-S333 PolarHBondContact O-N 2.96Å; Q331-S333 VanDerWaalsContact O-N 3.12Å; S333-P335 WeakPolarHBondContact O-CD 3.28Å
334	V	27	Very low	31.4	Very low	123 Å²	123	128.2 Å²	128.2	75%	0.745	68%	0.678	S	S	*	*			trans	-62.2	127.4	-178.7	178.9	0	0	0	0	109.3	F332	F332-V334 PolarHBondContact O-N 3.12Å
335	P	29	Very low	29.6	Very low	116 Å²	116	133.4 Å²	133.4	75%	0.753	71%	0.706	S	S	*	*			trans	-96.9	135.8	139.2	1.3	20.6	0	0	0	107.9	S333 D337	S333-P335 WeakPolarHBondContact O-CD 3.28Å; P335-D337 PolarHBondContact O-N 3.26Å
336	N	28.2	Very low	28.2	Very low	143 Å²	143	140 Å²	140	77%	0.765	74%	0.74	S	S	*	*			trans	-43.2	125.7	171.7	-74.1	-26.5	0	0	0	111.7
337	D	30.4	Very low	27.6	Very low	147 Å²	147	143.2 Å²	143.2	79%	0.786	76%	0.755	S	S	*	*				-172.6	113.2	122.7	-89.8	-24.6	0	0	0	111.1	P335	P335-D337 PolarHBondContact O-N 3.26Å
338	T	29	Very low	27.1	Very low	123 Å²	123	143 Å²	143	76%	0.755	76%	0.761	S	S	*	*			trans	12.7	107.9	140.4	44.6	0	0	0	0	118.6
339	Q	29.9	Very low	26.9	Very low	174 Å²	174	144.2 Å²	144.2	81%	0.813	78%	0.777	S	S	*	*				174.5	142.1	99.9	-91	-173.4	5.6	0	0	112.3
340	P	29.9	Very low	26.4	Very low	106 Å²	106	145.8 Å²	145.8	69%	0.688	78%	0.782	S	S	*	*			trans	-90.9	138.5	-171.3	20	-3.3	0	0	0	113	H342	P340-H342 PolarHBondContact O-N 3.22Å
341	W	26.5	Very low	26.5	Very low	246 Å²	246	146.4 Å²	146.4	93%	0.932	78%	0.784	S	S	*	*			trans	-62.3	95.3	-179.4	-19.4	77.3	0	0	0	111.9
342	H	25.8	Very low	26.4	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.796	78%	0.776	S	S	*	*			trans	-78.2	110.7	150.3	-86.7	-94.9	0	0	0	107.9	P340	P340-H342 PolarHBondContact O-N 3.22Å
343	M	25.6	Very low	26.2	Very low	176 Å²	176	143.2 Å²	143.2	87%	0.867	78%	0.78	S	S	*	*			trans	-132.7	103.5	158.5	-93.4	-65.2	-154.8	0	0	109.6
344	N	24.4	Very low	26.3	Very low	128 Å²	128	146.8 Å²	146.8	68%	0.684	79%	0.785	S	S	*	*			trans	-38.1	131.8	177.3	-61.2	-35.2	0	0	0	115
345	I	25.4	Very low	26.1	Very low	152 Å²	152	146.4 Å²	146.4	78%	0.779	79%	0.788	S	S	*	*			trans	-97.2	105.9	153.4	-62.1	174.3	0	0	0	106	T347	I345-T347 PolarHBondContact O-N 3.03Å
346	N	22.6	Very low	26	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	79%	0.793	S	S	*	*			trans	-77.7	99.2	165.7	-83.1	-8.2	0	0	0	108.1
347	T	27.5	Very low	25.7	Very low	121 Å²	121	146.6 Å²	146.6	74%	0.742	79%	0.789	S	S	*	*			trans	-97	95.1	162.9	-39.3	0	0	0	0	107.8	I345 A349	I345-T347 PolarHBondContact O-N 3.03Å; T347-A349 PolarHBondContact O-N 3.22Å
348	A	21.3	Very low	25.3	Very low	101 Å²	101	147.6 Å²	147.6	84%	0.835	79%	0.791	S	S	*	*			trans	-77.1	108.1	163.8	0	0	0	0	0	108.3
349	A	27.4	Very low	25.1	Very low	93 Å²	93	148 Å²	148	77%	0.769	79%	0.793	S	S	*	*			trans	-149.3	88.3	156.6	0	0	0	0	0	107.3	T347	T347-A349 PolarHBondContact O-N 3.22Å
350	Q	24.1	Very low	24.8	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.822	79%	0.789	S	S	*	*			trans	-74.5	167.6	161.5	-71.7	-175.1	-41	0	0	110.1
351	H	27.1	Very low	24.6	Very low	163 Å²	163	144.5 Å²	144.5	76%	0.755	79%	0.786	S	S	*	*			trans	100.5	86.6	178.5	-60.7	-68.1	0	0	0	113.4
352	E	21.5	Very low	24.5	Very low	163 Å²	163	138 Å²	138	76%	0.762	78%	0.778	S	S	*	*				67.1	103	78.5	-73.4	-173.6	152.1	0	0	113.6
353	T	22.4	Very low	24.5	Very low	125 Å²	125	136.4 Å²	136.4	77%	0.767	78%	0.775	S	S	*	*			trans	32.1	112.4	130.8	25.2	0	0	0	0	117.7
354	Q	27.2	Very low	24.5	Very low	182 Å²	182	138.5 Å²	138.5	85%	0.85	77%	0.774	S	S	*	*				-147.8	112.1	129.9	-107	164.9	36.6	0	0	110.2	L356	Q354-L356 PolarHBondContact O-N 3.14Å
355	S	22.1	Very low	24.6	Very low	115 Å²	115	138.3 Å²	138.3	80%	0.804	77%	0.773	S	S	*	*			trans	-52.7	119.9	158.6	51.3	0	0	0	0	110.3
356	L	26.9	Very low	24.6	Very low	164 Å²	164	135.3 Å²	135.3	86%	0.859	76%	0.764	S	S	*	*			trans	-118.2	109.7	155.5	-85.1	165.2	0	0	0	108.4	Q354	Q354-L356 PolarHBondContact O-N 3.14Å
357	S	21.9	Very low	25.1	Very low	98 Å²	98	133 Å²	133	69%	0.685	76%	0.758	S	S	*	*			trans	-57.6	144.2	168.9	50.4	0	0	0	0	112.6
358	M	22.2	Very low	25.2	Very low	169 Å²	169	132.1 Å²	132.1	83%	0.833	76%	0.757	S	S	*	*			trans	41.7	95.2	147.8	-57.8	-161.9	84.9	0	0	117.3
359	V	26.5	Very low	25.4	Very low	131 Å²	131	131.5 Å²	131.5	79%	0.794	75%	0.747	S	S	*	*			trans	-117.6	99.5	135.6	-173.1	0	0	0	0	107.6	V361	V359-V361 HydrophobicContact CG1-CG2 3.73Å; V359-V361 PolarHBondContact O-N 3.17Å
360	S	23.2	Very low	25.3	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	74%	0.742	S	S	*	*			trans	-58.6	97.6	159.7	50.9	0	0	0	0	109.1
361	V	25.6	Very low	25.4	Very low	103 Å²	103	128.8 Å²	128.8	62%	0.624	74%	0.737	S	S	*	*			trans	-106.1	80.7	156.6	-171.7	0	0	0	0	106.8	V359 L363	V359-V361 HydrophobicContact CG1-CG2 3.73Å; V359-V361 PolarHBondContact O-N 3.17Å; V361-L363 HydrophobicContact CG1-CB 4.1Å; V361-L363 HydrophobicContact CG1-CD1 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.07Å; V361-L363 PolarHBondContact O-N 2.99Å; V361-L363 VanDerWaalsContact O-N 3.17Å
362	S	24.3	Very low	25.5	Very low	109 Å²	109	127.1 Å²	127.1	76%	0.762	74%	0.738	S	S	*	*			trans	-67.6	101.5	158.1	172.3	0	0	0	0	106.7
363	L	25.1	Very low	25.8	Very low	140 Å²	140	127.4 Å²	127.4	73%	0.733	74%	0.739	S	S	*	*			trans	-129.2	12.7	169	-102	169	0	0	0	112.8	V361	V361-L363 HydrophobicContact CG1-CB 4.1Å; V361-L363 HydrophobicContact CG1-CD1 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.07Å; V361-L363 PolarHBondContact O-N 2.99Å; V361-L363 VanDerWaalsContact O-N 3.17Å
364	Y	26.8	Very low	26.3	Very low	219 Å²	219	125.8 Å²	125.8	86%	0.859	74%	0.738	S	S	*	*			trans	-112.8	96	169.3	-70.6	-76.6	0	0	0	108.5
365	D	25	Very low	26.2	Very low	124 Å²	124	126.9 Å²	126.9	66%	0.663	74%	0.741	S	S	*	*			trans	-54.2	132.4	164.8	-80	-36.8	0	0	0	108.8	C367	D365-C367 PolarHBondContact O-N 2.96Å; D365-C367 VanDerWaalsContact O-N 3.14Å
366	P	25.9	Very low	26.3	Very low	90 Å²	90	131.7 Å²	131.7	58%	0.584	74%	0.741	S	S	*	*			trans	-60.6	119.3	178.2	23.2	-31.8	0	0	0	110	S368	P366-S368 WeakPolarHBondContact O-CB 3.33Å; P366-S368 PolarHBondContact O-N 2.87Å; P366-S368 PolarHBondContact O-OG 3.2Å
367	C	32.3	Very low	26.4	Very low	103 Å²	103	127.3 Å²	127.3	70%	0.696	72%	0.723	S	S	*	*	S	Bend	trans	19.2	23.3	162.7	69	0	0	0	0	121.6	D365	D365-C367 PolarHBondContact O-N 2.96Å; D365-C367 VanDerWaalsContact O-N 3.14Å
368	S	30.1	Very low	26.8	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	73%	0.734	S	S	*	*			trans	-126.8	7.4	-168.7	61.8	0	0	0	0	115.6	P366	P366-S368 WeakPolarHBondContact O-CB 3.33Å; P366-S368 PolarHBondContact O-N 2.87Å; P366-S368 PolarHBondContact O-OG 3.2Å
369	S	25.2	Very low	27.1	Very low	88 Å²	88	131.5 Å²	131.5	62%	0.615	72%	0.723	S	S	*	*	S	Bend	trans	-125.8	8.6	-171.2	62.9	0	0	0	0	117.6
370	S	25.9	Very low	27.5	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	72%	0.72	S	S	*	*			trans	-119.2	74.7	166.3	71.5	0	0	0	0	111.5	T372	S370-T372 VanDerWaalsContact C-N 3.31Å; S370-T372 PolarHBondContact O-N 3.44Å
371	T	26.2	Very low	27.9	Very low	116 Å²	116	134.2 Å²	134.2	71%	0.712	72%	0.716	S	S	*	*			trans	-57	104.8	150.4	29	0	0	0	0	106.7	H373	T371-H373 VanDerWaalsContact C-N 3.29Å; T371-H373 PolarHBondContact O-N 2.83Å
372	T	29.3	Very low	28.3	Very low	127 Å²	127	134 Å²	134	78%	0.779	71%	0.714	S	S	*	*			trans	-60.9	98.9	167.9	40	0	0	0	0	107	S370 A374	S370-T372 VanDerWaalsContact C-N 3.31Å; S370-T372 PolarHBondContact O-N 3.44Å; T372-A374 PolarHBondContact O-N 3.04Å
373	H	26.8	Very low	28.5	Very low	169 Å²	169	131.5 Å²	131.5	78%	0.782	70%	0.695	S	S	*	*			trans	-66.4	90.2	168.3	-85.7	-88.8	0	0	0	107.1	T371 K375	T371-H373 VanDerWaalsContact C-N 3.29Å; T371-H373 PolarHBondContact O-N 2.83Å; H373-K375 PolarHBondContact O-N 3.21Å
374	A	34.7	Very low	28.6	Very low	91 Å²	91	130.3 Å²	130.3	75%	0.752	71%	0.705	S	S	*	*			trans	-58.9	105.2	167.2	0	0	0	0	0	107.8	T372 R376	T372-A374 PolarHBondContact O-N 3.04Å; A374-R376 PolarHBondContact O-N 3.05Å
375	K	23.5	Very low	28.7	Very low	206 Å²	206	123 Å²	123	90%	0.896	70%	0.697	S	S	*	*			trans	-65.5	102.5	162.8	-78.9	-177	178.1	176.4	0	106.2	H373 C377	H373-K375 PolarHBondContact O-N 3.21Å; K375-C377 PolarHBondContact O-N 3.23Å
376	R	25.7	Very low	29	Very low	216 Å²	216	120.8 Å²	120.8	82%	0.815	69%	0.685	S	S	*	*			trans	-55.7	122.5	161.9	-90.9	-174.5	175.6	-169.3	-3.2	106.9	A374 R378	A374-R376 PolarHBondContact O-N 3.05Å; R376-R378 PolarHBondContact O-N 3.39Å
377	C	29.1	Very low	29.2	Very low	71 Å²	71	124.5 Å²	124.5	48%	0.48	69%	0.692	S	S	.	*			trans	-56.6	131.8	161.3	-177.2	0	0	0	0	107.5	K375 N379 E380 H381	K375-C377 PolarHBondContact O-N 3.23Å; C377-N379 PolarHBondContact O-N 3.22Å; C377-E380 PolarHBondContact O-N 3.02Å; C377-E380 VanDerWaalsContact O-N 3.16Å; C377-H381 VanDerWaalsContact SG-CD2 3.58Å
378	R	29.2	Very low	29.6	Very low	243 Å²	243	123 Å²	123	92%	0.917	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-20.4	-177.8	-92.5	-177.8	172.4	177.5	-2.1	113.5	R376	R376-R378 PolarHBondContact O-N 3.39Å
379	N	29.7	Very low	29.9	Very low	113 Å²	113	127 Å²	127	60%	0.604	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	19.2	-174.7	-63.9	-8.1	0	0	0	113.6	C377 H381	C377-N379 PolarHBondContact O-N 3.22Å; N379-H381 WeakPolarHBondContact CB-NE2 3.28Å; N379-H381 PolarHBondContact O-N 2.91Å
380	E	33	Very low	31.1	Very low	157 Å²	157	123.1 Å²	123.1	73%	0.734	65%	0.653	S	S	*	*			trans	49.1	35.8	175.4	-61.3	-167.9	150.5	0	0	114.2	C377 V382	C377-E380 PolarHBondContact O-N 3.02Å; C377-E380 VanDerWaalsContact O-N 3.16Å; E380-V382 PolarHBondContact O-N 2.87Å
381	H	32.2	Very low	32.6	Very low	134 Å²	134	119.9 Å²	119.9	62%	0.62	63%	0.626	S	S	*	*			trans	-72.1	78.9	174.8	-60.3	-62.1	0	0	0	110.2	C377 N379	C377-H381 VanDerWaalsContact SG-CD2 3.58Å; N379-H381 WeakPolarHBondContact CB-NE2 3.28Å; N379-H381 PolarHBondContact O-N 2.91Å
382	V	34	Very low	34	Very low	98 Å²	98	115 Å²	115	59%	0.594	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-98.8	124.7	148	-178.3	0	0	0	0	105.5	E380 L386	E380-V382 PolarHBondContact O-N 2.87Å; V382-L386 HydrophobicContact CG1-CB 3.88Å; V382-L386 VanDerWaalsContact CG1-O 3.28Å; V382-L386 WeakPolarHBondContact CG1-O 3.32Å
383	P	29.6	Very low	35.4	Very low	57 Å²	57	114 Å²	114	37%	0.37	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-54.9	142.3	-176.3	-23.5	31.8	0	0	0	111.6	G385 L386	P383-G385 PolarHBondContact O-N 3.07Å; P383-G385 VanDerWaalsContact O-N 3.09Å; P383-L386 HydrophobicContact CB-CD1 4.11Å; P383-L386 HydrophobicContact CG-CD1 3.85Å; P383-L386 PolarHBondContact O-N 3.28Å; P383-L386 VanDerWaalsContact O-N 3.08Å
384	A	25.9	Very low	36.9	Very low	114 Å²	114	105.9 Å²	105.9	94%	0.942	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	118	176	0	0	0	0	0	109.6
385	G	28.5	Very low	38.1	Very low	67 Å²	67	106 Å²	106	69%	0.691	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.1	-20.4	-178.8	0	0	0	0	0	115.4	P383 F387	P383-G385 PolarHBondContact O-N 3.07Å; P383-G385 VanDerWaalsContact O-N 3.09Å; G385-F387 VanDerWaalsContact C-N 3.35Å; G385-F387 PolarHBondContact O-N 3.13Å; G385-F387 VanDerWaalsContact O-N 3.08Å
386	L	31.2	Very low	39.9	Very low	76 Å²	76	98.4 Å²	98.4	40%	0.398	50%	0.5	S	S	.	.			trans	-86	73.1	174.9	-78.7	164.1	0	0	0	111.2	V382 P383 V388	V382-L386 HydrophobicContact CG1-CB 3.88Å; V382-L386 VanDerWaalsContact CG1-O 3.28Å; V382-L386 WeakPolarHBondContact CG1-O 3.32Å; P383-L386 HydrophobicContact CB-CD1 4.11Å; P383-L386 HydrophobicContact CG-CD1 3.85Å; P383-L386 PolarHBondContact O-N 3.28Å; P383-L386 VanDerWaalsContact O-N 3.08Å; L386-V388 VanDerWaalsContact C-N 3.33Å; L386-V388 PolarHBondContact O-N 3.46Å; L386-V388 VanDerWaalsContact O-N 3.07Å
387	F	31	Very low	41.4	Very low	169 Å²	169	89.4 Å²	89.4	74%	0.741	48%	0.475	S	S	*	.			trans	-75	91	161	-68.8	-82.9	0	0	0	108.2	G385 R389	G385-F387 VanDerWaalsContact C-N 3.35Å; G385-F387 PolarHBondContact O-N 3.13Å; G385-F387 VanDerWaalsContact O-N 3.08Å; F387-R389 VanDerWaalsContact C-N 3.3Å; F387-R389 HydrophobicContact CB-CG 4.28Å; F387-R389 PolarHBondContact O-N 3.23Å
388	V	39.9	Very low	42.7	Very low	70 Å²	70	89.6 Å²	89.6	42%	0.424	47%	0.468	S	S	.	.			trans	-67.8	94.8	169.9	-172.2	0	0	0	0	108.2	L386 G390 M401	L386-V388 VanDerWaalsContact C-N 3.33Å; L386-V388 PolarHBondContact O-N 3.46Å; L386-V388 VanDerWaalsContact O-N 3.07Å; V388-G390 VanDerWaalsContact C-N 3.29Å; V388-G390 WeakPolarHBondContact CG1-O 2.85Å; V388-G390 PolarHBondContact O-N 3.31Å; V388-M401 HydrophobicContact CB-CE 3.6Å; V388-M401 HydrophobicContact CG1-CE 3.21Å; V388-M401 HydrophobicContact CG1-SD 3.84Å; V388-M401 HydrophobicContact CG2-CE 4.03Å
389	R	37.1	Very low	43.9	Very low	187 Å²	187	84.1 Å²	84.1	71%	0.706	45%	0.447	S	S	*	.			trans	-82.4	-1.5	-177.7	-78	-176.8	169.7	168	-1.9	113.9	F387 N425	F387-R389 VanDerWaalsContact C-N 3.3Å; F387-R389 HydrophobicContact CB-CG 4.28Å; F387-R389 PolarHBondContact O-N 3.23Å; R389-N425 PolarHBondContact O-N 2.67Å
390	G	50.9	Low	45.1	Very low	7 Å²	7	79.3 Å²	79.3	7%	0.072	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	177.7	-175.7	0	0	0	0	0	113.3	V388 V423	V388-G390 VanDerWaalsContact C-N 3.29Å; V388-G390 WeakPolarHBondContact CG1-O 2.85Å; V388-G390 PolarHBondContact O-N 3.31Å; G390-V423 CarbonylContact C-O 3.57Å; G390-V423 WeakPolarHBondContact CA-O 3.4Å
391	Y	57.4	Low	45.8	Very low	30 Å²	30	76.8 Å²	76.8	12%	0.118	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.5	173.3	55	-89	0	0	0	109.3	R393 R399 T400 V423 N425	Y391-R393 HydrophobicContact CD2-CB 4.15Å; Y391-R393 HydrophobicContact CE2-CB 3.98Å; Y391-R399 HydrophobicContact CD2-CB 3.99Å; Y391-R399 HydrophobicContact CD2-CG 3.95Å; Y391-R399 HydrophobicContact CE2-CG 3.98Å; Y391-T400 WeakPolarHBondContact CB-O 3.37Å; Y391-V423 HydrophobicContact CD2-CB 4.24Å; Y391-V423 HydrophobicContact CE1-CB 4.17Å; Y391-V423 HydrophobicContact CE1-CG1 4.13Å; Y391-V423 HydrophobicContact CE2-CB 3.76Å; Y391-V423 HydrophobicContact CE2-CG1 4.27Å; Y391-V423 HydrophobicContact CE2-CG2 3.89Å; Y391-V423 PolarHBondContact N-O 3.05Å; Y391-V423 VanDerWaalsContact N-O 3.08Å; Y391-V423 PolarHBondContact O-N 3.21Å; Y391-N425 HydrophobicContact CE1-CB 3.9Å; Y391-N425 WeakPolarHBondContact CE1-ND2 3.46Å; Y391-N425 PolarHBondContact OH-ND2 3.34Å
392	V	56	Low	46.4	Very low	13 Å²	13	72.1 Å²	72.1	8%	0.079	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.5	170.3	-174	0	0	0	0	107.2	R399 T400 M406 A420 F422	V392-R399 WeakPolarHBondContact O-CA 3.46Å; V392-T400 PolarHBondContact N-O 3.21Å; V392-T400 PolarHBondContact O-N 3.4Å; V392-M406 HydrophobicContact CB-CE 4.1Å; V392-M406 HydrophobicContact CG1-CE 3.96Å; V392-M406 HydrophobicContact CG1-CG 3.92Å; V392-M406 WeakPolarHBondContact O-CE 3.32Å; V392-A420 HydrophobicContact CG1-CB 3.64Å; V392-F422 HydrophobicContact CG2-CD2 3.99Å; V392-F422 HydrophobicContact CG2-CE2 4.47Å
393	R	57.3	Low	46.9	Very low	105 Å²	105	75.6 Å²	75.6	40%	0.396	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.1	177.2	-177.6	175.2	176.6	178.8	0.2	109.7	Y391 F398 A420 K421 V423	Y391-R393 HydrophobicContact CD2-CB 4.15Å; Y391-R393 HydrophobicContact CE2-CB 3.98Å; R393-F398 CarbonylContact C-O 3.6Å; R393-F398 WeakPolarHBondContact CA-O 3.39Å; R393-A420 WeakPolarHBondContact O-CA 3.11Å; R393-K421 PolarHBondContact N-O 2.8Å; R393-K421 PolarHBondContact O-N 2.85Å; R393-V423 HydrophobicContact CB-CG2 3.96Å
394	C	59.6	Low	47.5	Very low	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	150.3	165	-177	0	0	0	0	109.5	C396 G397 F398 M406 L410	C394-C396 PolarHBondContact O-N 2.93Å; C394-C396 VanDerWaalsContact O-N 3.17Å; C394-C396 PolarHBondContact SG-SG 3.38Å; C394-G397 PolarHBondContact O-N 3.02Å; C394-F398 HydrophobicContact CB-CB 4.08Å; C394-F398 PolarHBondContact N-O 2.78Å; C394-M406 HydrophobicContact CB-CE 4.26Å; C394-M406 HydrophobicContact CB-SD 3.86Å; C394-L410 HydrophobicContact CB-CD2 4.17Å; C394-L410 VanDerWaalsContact SG-CD2 3.53Å
395	N	59.2	Low	48.5	Very low	94 Å²	94	75.5 Å²	75.5	50%	0.503	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24	176.2	-73.5	-13.5	0	0	0	113.1	G397 H417	N395-G397 PolarHBondContact O-N 3.46Å; N395-H417 HydrophobicContact CB-CB 3.85Å; N395-H417 VanDerWaalsContact CB-CD2 3.44Å; N395-H417 WeakPolarHBondContact CB-CD2 3.3Å; N395-H417 VanDerWaalsContact CB-CG 3.4Å
396	C	60.7	Low	49.8	Very low	45 Å²	45	72.6 Å²	72.6	30%	0.304	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.1	173.5	72	0	0	0	0	113	C394 F398 H409 H417	C394-C396 PolarHBondContact O-N 2.93Å; C394-C396 VanDerWaalsContact O-N 3.17Å; C394-C396 PolarHBondContact SG-SG 3.38Å; C396-F398 PolarHBondContact SG-N 3.38Å; C396-F398 VanDerWaalsContact SG-N 3.43Å; C396-H409 VanDerWaalsContact SG-CE1 3.55Å; C396-H409 PolarHBondContact SG-NE2 3.03Å; C396-H417 PolarHBondContact N-CD2 3.4Å; C396-H417 PolarHBondContact N-NE2 2.79Å
397	G	58.8	Low	50.8	Low	28 Å²	28	71.3 Å²	71.3	29%	0.289	35%	0.345	S	S	.	.	S	Bend	trans	104.2	-11.2	-178.3	0	0	0	0	0	115.2	C394 N395 R399	C394-G397 PolarHBondContact O-N 3.02Å; N395-G397 PolarHBondContact O-N 3.46Å; G397-R399 WeakPolarHBondContact O-CG 3.48Å
398	F	56.5	Low	51.7	Low	74 Å²	74	70.5 Å²	70.5	33%	0.325	34%	0.337	S	S	.	.			trans	-58.3	136.9	175.1	-173.3	-109.6	0	0	0	111.1	R393 C394 C396 T400 M406 H409	R393-F398 CarbonylContact C-O 3.6Å; R393-F398 WeakPolarHBondContact CA-O 3.39Å; C394-F398 HydrophobicContact CB-CB 4.08Å; C394-F398 PolarHBondContact N-O 2.78Å; C396-F398 PolarHBondContact SG-N 3.38Å; C396-F398 VanDerWaalsContact SG-N 3.43Å; F398-T400 HydrophobicContact CD1-CG2 3.78Å; F398-T400 HydrophobicContact CE1-CG2 3.07Å; F398-T400 HydrophobicContact CZ-CG2 3.64Å; F398-M406 HydrophobicContact CD1-CE 3.69Å; F398-M406 HydrophobicContact CD1-SD 3.74Å; F398-M406 HydrophobicContact CE1-CE 4.31Å; F398-M406 HydrophobicContact CE1-SD 4.3Å; F398-H409 VanDerWaalsContact CB-NE2 3.33Å; F398-H409 WeakPolarHBondContact CB-NE2 3.36Å; F398-H409 HydrophobicContact CD1-CB 3.76Å; F398-H409 AromaticContact CD1-CD2 3.35Å; F398-H409 WeakPolarHBondContact CD1-CD2 3.13Å; F398-H409 AromaticContact CD1-CG 3.36Å; F398-H409 AromaticContact CD1-ND1 3.91Å; F398-H409 AromaticContact CD1-NE2 3.9Å; F398-H409 HydrophobicContact CE1-CB 3.57Å; F398-H409 AromaticContact CE1-CG 3.69Å; F398-H409 AromaticContact CG-CD2 3.75Å; F398-H409 AromaticContact CG-CE1 3.87Å; F398-H409 AromaticContact CG-CG 3.8Å; F398-H409 AromaticContact CG-ND1 3.88Å; F398-H409 AromaticContact CG-NE2 3.78Å; F398-H409 HydrophobicContact CZ-CB 4.29Å
399	R	54	Low	52.4	Low	129 Å²	129	68.5 Å²	68.5	49%	0.487	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	-176.3	-54.4	-179.9	-171	-177.7	2.3	109.5	Y391 V392 G397	Y391-R399 HydrophobicContact CD2-CB 3.99Å; Y391-R399 HydrophobicContact CD2-CG 3.95Å; Y391-R399 HydrophobicContact CE2-CG 3.98Å; V392-R399 WeakPolarHBondContact O-CA 3.46Å; G397-R399 WeakPolarHBondContact O-CG 3.48Å
400	T	54.6	Low	53.2	Low	11 Å²	11	61 Å²	61	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.8	170.6	73	0	0	0	0	111.4	Y391 V392 F398 L405 M406	Y391-T400 WeakPolarHBondContact CB-O 3.37Å; V392-T400 PolarHBondContact N-O 3.21Å; V392-T400 PolarHBondContact O-N 3.4Å; F398-T400 HydrophobicContact CD1-CG2 3.78Å; F398-T400 HydrophobicContact CE1-CG2 3.07Å; F398-T400 HydrophobicContact CZ-CG2 3.64Å; T400-L405 HydrophobicContact CG2-CB 4.07Å; T400-M406 HydrophobicContact CG2-CB 4.03Å; T400-M406 HydrophobicContact CG2-CE 3.9Å; T400-M406 WeakPolarHBondContact OG1-CB 3.43Å
401	M	47.1	Very low	53.3	Low	104 Å²	104	61.8 Å²	61.8	51%	0.512	30%	0.303	S	S	.	.	S	Bend	trans	-74.8	140.4	157.9	-59.9	-67.5	-86.6	0	0	107.2	V388 Y403	V388-M401 HydrophobicContact CB-CE 3.6Å; V388-M401 HydrophobicContact CG1-CE 3.21Å; V388-M401 HydrophobicContact CG1-SD 3.84Å; V388-M401 HydrophobicContact CG2-CE 4.03Å; M401-Y403 PolarHBondContact O-N 3.41Å
402	V	44.5	Very low	53.2	Low	36 Å²	36	64.1 Å²	64.1	22%	0.218	32%	0.32	C	S	.	.	S	Bend	trans	-42.7	100.7	-171.3	-177.1	0	0	0	0	112.3	V63 F422	V63-V402 HydrophobicContact CG1-CG1 4.11Å; V63-V402 HydrophobicContact CG2-CG1 3.89Å; V402-F422 HydrophobicContact CG2-CE2 4.26Å
403	Y	44	Very low	52.6	Low	171 Å²	171	71.7 Å²	71.7	67%	0.671	36%	0.355	S	S	*	.	S	Bend	trans	-165.9	178.5	173.4	-74	-66	0	0	0	109.6	M401 L405	M401-Y403 PolarHBondContact O-N 3.41Å; Y403-L405 PolarHBondContact O-N 3.28Å
404	D	42.7	Very low	52.4	Low	83 Å²	83	70.6 Å²	70.6	44%	0.444	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.6	-177.3	72.7	-36.9	0	0	0	115.1	M406 A407 R408	D404-M406 VanDerWaalsContact C-N 3.28Å; D404-M406 PolarHBondContact O-N 3.37Å; D404-A407 WeakPolarHBondContact O-CB 3.4Å; D404-A407 PolarHBondContact O-N 3.37Å; D404-R408 PolarHBondContact O-N 3.24Å; D404-R408 IonicContact OD1-NH2 3.47Å; D404-R408 PolarHBondContact OD1-NH2 3.41Å; D404-R408 IonicContact OD2-CZ 3.21Å; D404-R408 IonicContact OD2-NE 2.97Å; D404-R408 PolarHBondContact OD2-NE 2.94Å; D404-R408 IonicContact OD2-NH2 2.65Å; D404-R408 PolarHBondContact OD2-NH2 2.96Å
405	L	46.4	Very low	51.8	Low	87 Å²	87	75.6 Å²	75.6	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-35.9	179.1	-66.7	174.1	0	0	0	112.9	T400 Y403 H409	T400-L405 HydrophobicContact CG2-CB 4.07Å; Y403-L405 PolarHBondContact O-N 3.28Å; L405-H409 WeakPolarHBondContact O-CB 3.46Å; L405-H409 PolarHBondContact O-N 3.33Å; L405-H409 VanDerWaalsContact O-N 3.08Å
406	M	57.3	Low	51.3	Low	5 Å²	5	73 Å²	73	3%	0.025	40%	0.395	C	S	.	.	H	α-helix	trans	-69.7	-40.1	174.3	-174	60.8	74.9	0	0	111	V392 C394 F398 T400 D404 R408 H409 L410	V392-M406 HydrophobicContact CB-CE 4.1Å; V392-M406 HydrophobicContact CG1-CE 3.96Å; V392-M406 HydrophobicContact CG1-CG 3.92Å; V392-M406 WeakPolarHBondContact O-CE 3.32Å; C394-M406 HydrophobicContact CB-CE 4.26Å; C394-M406 HydrophobicContact CB-SD 3.86Å; F398-M406 HydrophobicContact CD1-CE 3.69Å; F398-M406 HydrophobicContact CD1-SD 3.74Å; F398-M406 HydrophobicContact CE1-CE 4.31Å; F398-M406 HydrophobicContact CE1-SD 4.3Å; T400-M406 HydrophobicContact CG2-CB 4.03Å; T400-M406 HydrophobicContact CG2-CE 3.9Å; T400-M406 WeakPolarHBondContact OG1-CB 3.43Å; D404-M406 VanDerWaalsContact C-N 3.28Å; D404-M406 PolarHBondContact O-N 3.37Å; M406-R408 VanDerWaalsContact C-N 3.32Å; M406-R408 PolarHBondContact O-N 2.71Å; M406-H409 PolarHBondContact O-N 2.9Å; M406-H409 VanDerWaalsContact O-N 3.17Å; M406-L410 HydrophobicContact CG-CD1 3.91Å; M406-L410 HydrophobicContact CG-CG 4.16Å; M406-L410 VanDerWaalsContact O-CG 3.3Å; M406-L410 WeakPolarHBondContact O-CG 3.39Å; M406-L410 PolarHBondContact O-N 3.5Å; M406-L410 HydrophobicContact SD-CD1 4.42Å; M406-L410 HydrophobicContact SD-CD2 4.32Å; M406-L410 HydrophobicContact SD-CG 4.15Å
407	A	50.8	Low	50.9	Low	50 Å²	50	74.5 Å²	74.5	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-61.8	-42	178.5	0	0	0	0	0	111.3	D404 L410 A411	D404-A407 WeakPolarHBondContact O-CB 3.4Å; D404-A407 PolarHBondContact O-N 3.37Å; A407-L410 PolarHBondContact O-N 3.41Å; A407-A411 WeakPolarHBondContact O-CB 3.34Å; A407-A411 PolarHBondContact O-N 3.29Å; A407-A411 VanDerWaalsContact O-N 3.12Å
408	R	50.5	Low	50.8	Low	151 Å²	151	79.5 Å²	79.5	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-63.9	-40.9	173.3	-67.8	-169.6	-121.6	164.3	-0.9	112.4	D404 M406 A411 T412	D404-R408 PolarHBondContact O-N 3.24Å; D404-R408 IonicContact OD1-NH2 3.47Å; D404-R408 PolarHBondContact OD1-NH2 3.41Å; D404-R408 IonicContact OD2-CZ 3.21Å; D404-R408 IonicContact OD2-NE 2.97Å; D404-R408 PolarHBondContact OD2-NE 2.94Å; D404-R408 IonicContact OD2-NH2 2.65Å; D404-R408 PolarHBondContact OD2-NH2 2.96Å; M406-R408 VanDerWaalsContact C-N 3.32Å; M406-R408 PolarHBondContact O-N 2.71Å; R408-A411 PolarHBondContact O-N 2.91Å; R408-T412 PolarHBondContact O-N 2.95Å
409	H	54.3	Low	50.5	Low	29 Å²	29	81 Å²	81	13%	0.134	43%	0.428	C	S	.	.	H	α-helix	trans	-66.3	-38.6	177.8	172.2	72.6	0	0	0	113.4	C396 F398 L405 M406 A411 T412	C396-H409 VanDerWaalsContact SG-CE1 3.55Å; C396-H409 PolarHBondContact SG-NE2 3.03Å; F398-H409 VanDerWaalsContact CB-NE2 3.33Å; F398-H409 WeakPolarHBondContact CB-NE2 3.36Å; F398-H409 HydrophobicContact CD1-CB 3.76Å; F398-H409 AromaticContact CD1-CD2 3.35Å; F398-H409 WeakPolarHBondContact CD1-CD2 3.13Å; F398-H409 AromaticContact CD1-CG 3.36Å; F398-H409 AromaticContact CD1-ND1 3.91Å; F398-H409 AromaticContact CD1-NE2 3.9Å; F398-H409 HydrophobicContact CE1-CB 3.57Å; F398-H409 AromaticContact CE1-CG 3.69Å; F398-H409 AromaticContact CG-CD2 3.75Å; F398-H409 AromaticContact CG-CE1 3.87Å; F398-H409 AromaticContact CG-CG 3.8Å; F398-H409 AromaticContact CG-ND1 3.88Å; F398-H409 AromaticContact CG-NE2 3.78Å; F398-H409 HydrophobicContact CZ-CB 4.29Å; L405-H409 WeakPolarHBondContact O-CB 3.46Å; L405-H409 PolarHBondContact O-N 3.33Å; L405-H409 VanDerWaalsContact O-N 3.08Å; M406-H409 PolarHBondContact O-N 2.9Å; M406-H409 VanDerWaalsContact O-N 3.17Å; H409-A411 VanDerWaalsContact C-N 3.26Å; H409-A411 PolarHBondContact O-N 2.96Å; H409-T412 PolarHBondContact O-N 3.45Å; H409-T412 PolarHBondContact O-OG1 2.53Å
410	L	55.3	Low	50.9	Low	30 Å²	30	76 Å²	76	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-73.5	-21.2	175.5	-61.6	171.5	0	0	0	112.2	F74 C394 M406 A407 H417 A420	F74-L410 HydrophobicContact CD1-CD1 3.9Å; F74-L410 HydrophobicContact CE1-CD1 3.55Å; F74-L410 HydrophobicContact CE2-CD1 4.46Å; F74-L410 HydrophobicContact CG-CD1 4.49Å; F74-L410 HydrophobicContact CZ-CD1 3.86Å; C394-L410 HydrophobicContact CB-CD2 4.17Å; C394-L410 VanDerWaalsContact SG-CD2 3.53Å; M406-L410 HydrophobicContact CG-CD1 3.91Å; M406-L410 HydrophobicContact CG-CG 4.16Å; M406-L410 VanDerWaalsContact O-CG 3.3Å; M406-L410 WeakPolarHBondContact O-CG 3.39Å; M406-L410 PolarHBondContact O-N 3.5Å; M406-L410 HydrophobicContact SD-CD1 4.42Å; M406-L410 HydrophobicContact SD-CD2 4.32Å; M406-L410 HydrophobicContact SD-CG 4.15Å; A407-L410 PolarHBondContact O-N 3.41Å; L410-H417 VanDerWaalsContact CD2-O 3.24Å; L410-H417 WeakPolarHBondContact CD2-O 3.08Å; L410-A420 HydrophobicContact CD1-CB 4.2Å
411	A	53.1	Low	51	Low	23 Å²	23	82.5 Å²	82.5	19%	0.19	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	0.7	175.5	0	0	0	0	0	113.7	T90 A407 R408 H409	T90-A411 HydrophobicContact CG2-CB 4.17Å; T90-A411 WeakPolarHBondContact CG2-O 3.3Å; A407-A411 WeakPolarHBondContact O-CB 3.34Å; A407-A411 PolarHBondContact O-N 3.29Å; A407-A411 VanDerWaalsContact O-N 3.12Å; R408-A411 PolarHBondContact O-N 2.91Å; H409-A411 VanDerWaalsContact C-N 3.26Å; H409-A411 PolarHBondContact O-N 2.96Å
412	T	54	Low	51.4	Low	78 Å²	78	81 Å²	81	48%	0.479	43%	0.433	S	S	.	.	S	Bend	trans	-86.4	123.7	174.4	36.4	0	0	0	0	111.3	R408 H409	R408-T412 PolarHBondContact O-N 2.95Å; H409-T412 PolarHBondContact O-N 3.45Å; H409-T412 PolarHBondContact O-OG1 2.53Å
413	E	44.9	Very low	51.8	Low	173 Å²	173	80.7 Å²	80.7	81%	0.808	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	137.5	172.3	-70.3	-176.6	174.5	0	0	110.7
414	G	51.6	Low	51.8	Low	82 Å²	82	81 Å²	81	85%	0.845	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.4	-26.7	174	0	0	0	0	0	115.9
415	E	47.3	Very low	52.2	Low	105 Å²	105	80.5 Å²	80.5	49%	0.491	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-0.8	175.1	-64.5	-165.6	169.7	0	0	113.7	H417	E415-H417 PolarHBondContact O-N 3.45Å; E415-H417 VanDerWaalsContact O-N 3.17Å
416	G	48.1	Very low	52	Low	40 Å²	40	84.9 Å²	84.9	41%	0.412	45%	0.452	S	S	.	.			trans	-69.8	108.2	-173.1	0	0	0	0	0	112.9
417	H	52.7	Low	50.9	Low	75 Å²	75	95.6 Å²	95.6	35%	0.347	49%	0.492	S	S	.	.			trans	-75.1	143.8	156.2	-62.3	-85.6	0	0	0	109	N395 C396 L410 E415 L419	N395-H417 HydrophobicContact CB-CB 3.85Å; N395-H417 VanDerWaalsContact CB-CD2 3.44Å; N395-H417 WeakPolarHBondContact CB-CD2 3.3Å; N395-H417 VanDerWaalsContact CB-CG 3.4Å; C396-H417 PolarHBondContact N-CD2 3.4Å; C396-H417 PolarHBondContact N-NE2 2.79Å; L410-H417 VanDerWaalsContact CD2-O 3.24Å; L410-H417 WeakPolarHBondContact CD2-O 3.08Å; E415-H417 PolarHBondContact O-N 3.45Å; E415-H417 VanDerWaalsContact O-N 3.17Å; H417-L419 PolarHBondContact O-N 3.14Å
418	D	58.2	Low	50.2	Low	134 Å²	134	96.6 Å²	96.6	72%	0.717	49%	0.494	S	S	*	.	S	Bend	trans	-77.6	-7	177.5	58	-27.2	0	0	0	113.4
419	L	50.1	Low	49.3	Very low	106 Å²	106	94.9 Å²	94.9	56%	0.555	51%	0.506	S	S	*	.			trans	-128.6	138.1	-174.9	-63.3	172.1	0	0	0	111.7	H417	H417-L419 PolarHBondContact O-N 3.14Å
420	A	60.6	Low	48.4	Very low	23 Å²	23	97.6 Å²	97.6	19%	0.19	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.1	169.3	0	0	0	0	0	110.1	F74 V392 R393 L410	F74-A420 HydrophobicContact CZ-CB 4.27Å; V392-A420 HydrophobicContact CG1-CB 3.64Å; R393-A420 WeakPolarHBondContact O-CA 3.11Å; L410-A420 HydrophobicContact CD1-CB 4.2Å
421	K	57.5	Low	46.9	Very low	148 Å²	148	104.6 Å²	104.6	64%	0.643	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.1	129.9	178.8	-175.9	172.8	179.9	174.7	0	110.1	R393 V423	R393-K421 PolarHBondContact N-O 2.8Å; R393-K421 PolarHBondContact O-N 2.85Å; K421-V423 PolarHBondContact O-N 2.91Å
422	F	55.7	Low	45.5	Very low	73 Å²	73	111.3 Å²	111.3	32%	0.32	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.7	119	166.6	-165.1	-91.6	0	0	0	109.3	V392 V402 Y424	V392-F422 HydrophobicContact CG2-CD2 3.99Å; V392-F422 HydrophobicContact CG2-CE2 4.47Å; V402-F422 HydrophobicContact CG2-CE2 4.26Å; F422-Y424 HydrophobicContact CD1-CD1 4.02Å; F422-Y424 AromaticContact CD1-CD2 3.84Å; F422-Y424 HydrophobicContact CD1-CD2 3.84Å; F422-Y424 AromaticContact CD1-CE1 3.81Å; F422-Y424 HydrophobicContact CD1-CE1 3.81Å; F422-Y424 AromaticContact CD1-CE2 3.62Å; F422-Y424 HydrophobicContact CD1-CE2 3.62Å; F422-Y424 HydrophobicContact CD1-CG 4.02Å; F422-Y424 AromaticContact CD1-CZ 3.59Å; F422-Y424 AromaticContact CE1-CD1 3.57Å; F422-Y424 HydrophobicContact CE1-CD1 3.57Å; F422-Y424 HydrophobicContact CE1-CD2 4.25Å; F422-Y424 AromaticContact CE1-CE1 3.43Å; F422-Y424 HydrophobicContact CE1-CE1 3.43Å; F422-Y424 VanDerWaalsContact CE1-CE1 3.43Å; F422-Y424 HydrophobicContact CE1-CE2 4.13Å; F422-Y424 AromaticContact CE1-CG 3.98Å; F422-Y424 HydrophobicContact CE1-CG 3.98Å; F422-Y424 AromaticContact CE1-CZ 3.72Å
423	V	53	Low	44.1	Very low	28 Å²	28	115 Å²	115	17%	0.17	61%	0.605	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-103	103.5	176.1	-174.9	0	0	0	0	108.2	G390 Y391 R393 K421 N425	G390-V423 CarbonylContact C-O 3.57Å; G390-V423 WeakPolarHBondContact CA-O 3.4Å; Y391-V423 HydrophobicContact CD2-CB 4.24Å; Y391-V423 HydrophobicContact CE1-CB 4.17Å; Y391-V423 HydrophobicContact CE1-CG1 4.13Å; Y391-V423 HydrophobicContact CE2-CB 3.76Å; Y391-V423 HydrophobicContact CE2-CG1 4.27Å; Y391-V423 HydrophobicContact CE2-CG2 3.89Å; Y391-V423 PolarHBondContact N-O 3.05Å; Y391-V423 VanDerWaalsContact N-O 3.08Å; Y391-V423 PolarHBondContact O-N 3.21Å; R393-V423 HydrophobicContact CB-CG2 3.96Å; K421-V423 PolarHBondContact O-N 2.91Å; V423-N425 HydrophobicContact CG1-CB 4.4Å; V423-N425 PolarHBondContact O-N 3.11Å
424	Y	45	Very low	43.2	Very low	179 Å²	179	112.7 Å²	112.7	70%	0.702	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.4	123.5	161.1	-60.8	-84.3	0	0	0	107.8	F422	F422-Y424 HydrophobicContact CD1-CD1 4.02Å; F422-Y424 AromaticContact CD1-CD2 3.84Å; F422-Y424 HydrophobicContact CD1-CD2 3.84Å; F422-Y424 AromaticContact CD1-CE1 3.81Å; F422-Y424 HydrophobicContact CD1-CE1 3.81Å; F422-Y424 AromaticContact CD1-CE2 3.62Å; F422-Y424 HydrophobicContact CD1-CE2 3.62Å; F422-Y424 HydrophobicContact CD1-CG 4.02Å; F422-Y424 AromaticContact CD1-CZ 3.59Å; F422-Y424 AromaticContact CE1-CD1 3.57Å; F422-Y424 HydrophobicContact CE1-CD1 3.57Å; F422-Y424 HydrophobicContact CE1-CD2 4.25Å; F422-Y424 AromaticContact CE1-CE1 3.43Å; F422-Y424 HydrophobicContact CE1-CE1 3.43Å; F422-Y424 VanDerWaalsContact CE1-CE1 3.43Å; F422-Y424 HydrophobicContact CE1-CE2 4.13Å; F422-Y424 AromaticContact CE1-CG 3.98Å; F422-Y424 HydrophobicContact CE1-CG 3.98Å; F422-Y424 AromaticContact CE1-CZ 3.72Å
425	N	51.1	Low	41.9	Very low	72 Å²	72	112.9 Å²	112.9	39%	0.385	60%	0.595	S	S	.	*			trans	-132.3	125.1	-178.1	-118.5	14.7	0	0	0	113	R389 Y391 V423 R427	R389-N425 PolarHBondContact O-N 2.67Å; Y391-N425 HydrophobicContact CE1-CB 3.9Å; Y391-N425 WeakPolarHBondContact CE1-ND2 3.46Å; Y391-N425 PolarHBondContact OH-ND2 3.34Å; V423-N425 HydrophobicContact CG1-CB 4.4Å; V423-N425 PolarHBondContact O-N 3.11Å; N425-R427 PolarHBondContact O-N 2.76Å
426	L	40.9	Very low	40.9	Very low	178 Å²	178	118.7 Å²	118.7	93%	0.932	61%	0.613	S	S	*	*	S	Bend	trans	-71.9	94.6	154.8	-83.6	148.6	0	0	0	107.8
427	R	34.5	Very low	39.9	Very low	230 Å²	230	122.6 Å²	122.6	87%	0.868	63%	0.631	S	S	*	*			trans	57.4	113.4	172.8	-70.5	-175.9	176.7	-178	0	116.8	N425 S429	N425-R427 PolarHBondContact O-N 2.76Å; R427-S429 PolarHBondContact O-N 2.87Å
428	P	35.6	Very low	39	Very low	71 Å²	71	123.8 Å²	123.8	46%	0.461	65%	0.653	S	S	.	*			trans	-67.1	133.2	172.2	28.3	-31.1	0	0	0	110.5	S430	P428-S430 PolarHBondContact O-N 2.78Å
429	S	32.3	Very low	37.7	Very low	116 Å²	116	126.2 Å²	126.2	81%	0.811	66%	0.658	S	S	*	*			trans	-71.6	58	166.6	52.2	0	0	0	0	110.9	R427 F431	R427-S429 PolarHBondContact O-N 2.87Å; S429-F431 PolarHBondContact O-N 3.47Å
430	S	34.5	Very low	36.8	Very low	86 Å²	86	127.4 Å²	127.4	60%	0.601	67%	0.67	S	S	*	*			trans	-79.6	3.9	169.2	54.4	0	0	0	0	112.6	P428	P428-S430 PolarHBondContact O-N 2.78Å
431	F	24.4	Very low	35.5	Very low	176 Å²	176	133.7 Å²	133.7	77%	0.772	70%	0.699	S	S	*	*			trans	-122.7	98.1	170.1	-58.1	-76.8	0	0	0	108.4	S429 I433	S429-F431 PolarHBondContact O-N 3.47Å; F431-I433 PolarHBondContact O-N 2.98Å
432	L	23.8	Very low	34.4	Very low	164 Å²	164	138.9 Å²	138.9	86%	0.859	72%	0.715	S	S	*	*			trans	-58.2	119.7	149	-102.1	146.7	0	0	0	105.7	V434	L432-V434 PolarHBondContact O-N 3.31Å
433	I	25.4	Very low	33.8	Very low	157 Å²	157	140.1 Å²	140.1	81%	0.805	73%	0.728	S	S	*	*			trans	-63	95.5	165.6	-61.8	172.7	0	0	0	104.9	F431 A435	F431-I433 PolarHBondContact O-N 2.98Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 2.79Å
434	V	24.9	Very low	33.2	Very low	123 Å²	123	142.3 Å²	142.3	75%	0.745	75%	0.745	S	S	*	*			trans	-63.6	105	161.9	-177.5	0	0	0	0	103.9	L432 R436	L432-V434 PolarHBondContact O-N 3.31Å; V434-R436 PolarHBondContact O-N 3.08Å
435	A	24.9	Very low	33.6	Very low	86 Å²	86	139.9 Å²	139.9	71%	0.711	74%	0.743	S	S	*	*			trans	-52	105.9	175.8	0	0	0	0	0	107.3	I433	I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 2.79Å
436	R	25	Very low	33.6	Very low	228 Å²	228	143.5 Å²	143.5	86%	0.86	75%	0.752	S	S	*	*			trans	-63.3	131.7	173.9	-79.3	-174.6	174.8	177.8	-1.4	106.6	V434 A438	V434-R436 PolarHBondContact O-N 3.08Å; R436-A438 PolarHBondContact O-N 3.42Å
437	P	28.8	Very low	33.5	Very low	121 Å²	121	142 Å²	142	79%	0.786	73%	0.734	S	S	*	*			trans	-56.1	123.3	-179.9	1.7	-0.2	0	0	0	108.1	K439	P437-K439 PolarHBondContact O-N 3.4Å
438	A	32.8	Very low	34.2	Very low	100 Å²	100	137.4 Å²	137.4	83%	0.826	72%	0.722	S	S	*	*	S	Bend	trans	-66.3	83.7	-175.3	0	0	0	0	0	109.9	R436	R436-A438 PolarHBondContact O-N 3.42Å
439	K	31.9	Very low	35	Very low	186 Å²	186	140.5 Å²	140.5	81%	0.809	73%	0.728	S	S	*	*			trans	-156.7	132.2	161.3	-102.8	155	-166.5	-173	0	108.5	P437	P437-K439 PolarHBondContact O-N 3.4Å
440	T	31	Very low	35.6	Very low	131 Å²	131	142 Å²	142	80%	0.804	72%	0.716	S	S	*	*			trans	67.2	93.4	166	53.8	0	0	0	0	117.4
441	L	31.9	Very low	36.3	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	72%	0.718	S	S	*	*				-165.6	91.3	115.4	-97.5	151	0	0	0	108.5	T443	L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 HydrophobicContact CB-CG2 4.49Å; L441-T443 PolarHBondContact O-N 2.67Å
442	R	35.6	Very low	37.3	Very low	256 Å²	256	140 Å²	140	97%	0.966	71%	0.713	S	S	*	*			trans	-57.6	93.4	159.3	-81.4	178.7	179.4	176.2	-0.5	107.2
443	T	41.6	Very low	37.9	Very low	99 Å²	99	141.8 Å²	141.8	61%	0.607	71%	0.708	S	S	*	*			trans	-88.2	119.5	169.9	45.5	0	0	0	0	108.7	L441	L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 HydrophobicContact CB-CG2 4.49Å; L441-T443 PolarHBondContact O-N 2.67Å
444	S	41.7	Very low	38.4	Very low	74 Å²	74	140.7 Å²	140.7	52%	0.517	70%	0.703	S	S	.	*			trans	-25.1	135.3	179.5	173	0	0	0	0	116.8	W446 W447	S444-W446 PolarHBondContact O-N 3.48Å; S444-W446 WeakPolarHBondContact OG-CB 3.42Å; S444-W446 PolarHBondContact OG-N 3.01Å; S444-W447 PolarHBondContact O-N 2.96Å
445	L	53.3	Low	38.7	Very low	128 Å²	128	139.6 Å²	139.6	67%	0.67	70%	0.698	S	S	*	*	H	α-helix	trans	-43.5	-24.4	169.2	-87.8	145	0	0	0	114.5	W447 Q448 K449	L445-W447 VanDerWaalsContact C-N 3.34Å; L445-W447 PolarHBondContact O-N 3.36Å; L445-Q448 PolarHBondContact O-N 2.79Å; L445-K449 PolarHBondContact O-N 3.5Å; L445-K449 VanDerWaalsContact O-N 3.16Å
446	W	50.4	Low	39.1	Very low	148 Å²	148	143.3 Å²	143.3	56%	0.561	70%	0.701	S	S	*	*	H	α-helix	trans	-61.8	-39.1	177.3	-170.9	82.3	0	0	0	112.9	S444 R450	S444-W446 PolarHBondContact O-N 3.48Å; S444-W446 WeakPolarHBondContact OG-CB 3.42Å; S444-W446 PolarHBondContact OG-N 3.01Å; W446-R450 VanDerWaalsContact CH2-NH1 3.32Å; W446-R450 PolarHBondContact O-N 3.47Å
447	W	38.4	Very low	39.2	Very low	147 Å²	147	141.6 Å²	141.6	56%	0.557	70%	0.7	S	S	*	*	H	α-helix	trans	-72.4	-35.9	178.4	-77.9	103.2	0	0	0	112.6	S444 L445 R450 I451	S444-W447 PolarHBondContact O-N 2.96Å; L445-W447 VanDerWaalsContact C-N 3.34Å; L445-W447 PolarHBondContact O-N 3.36Å; W447-R450 PolarHBondContact O-N 2.69Å; W447-I451 WeakPolarHBondContact O-CG1 2.79Å; W447-I451 PolarHBondContact O-N 2.92Å
448	Q	49.8	Very low	39.1	Very low	134 Å²	134	144 Å²	144	63%	0.626	71%	0.705	S	S	*	*	H	α-helix	trans	-63.8	-42.7	175.5	-74.5	177.9	-26.7	0	0	111.9	L445 R450 I451 S452	L445-Q448 PolarHBondContact O-N 2.79Å; Q448-R450 VanDerWaalsContact C-N 3.28Å; Q448-R450 PolarHBondContact O-N 2.99Å; Q448-I451 PolarHBondContact O-N 3.07Å; Q448-S452 PolarHBondContact O-N 3.21Å
449	K	53.4	Low	38.8	Very low	136 Å²	136	145.4 Å²	145.4	59%	0.591	70%	0.699	S	S	*	*	H	α-helix	trans	-66.5	-26.3	176.3	-84.6	-177	176.2	177.7	0	113.8	L445 S452 R453	L445-K449 PolarHBondContact O-N 3.5Å; L445-K449 VanDerWaalsContact O-N 3.16Å; K449-S452 PolarHBondContact O-OG 3.24Å; K449-R453 WeakPolarHBondContact O-CG 3.35Å
450	R	44.9	Very low	38.4	Very low	146 Å²	146	141.8 Å²	141.8	55%	0.551	70%	0.697	S	S	*	*	H	α-helix	trans	-77.2	-39.9	179.2	-160.3	172	-175.2	172.1	0.6	111.3	W446 W447 Q448 S452 R453 L454	W446-R450 VanDerWaalsContact CH2-NH1 3.32Å; W446-R450 PolarHBondContact O-N 3.47Å; W447-R450 PolarHBondContact O-N 2.69Å; Q448-R450 VanDerWaalsContact C-N 3.28Å; Q448-R450 PolarHBondContact O-N 2.99Å; R450-S452 VanDerWaalsContact C-N 3.34Å; R450-R453 PolarHBondContact O-N 3.12Å; R450-L454 VanDerWaalsContact O-CD1 3.28Å; R450-L454 WeakPolarHBondContact O-CD1 3.2Å
451	I	47.6	Very low	38	Very low	127 Å²	127	142.7 Å²	142.7	65%	0.651	70%	0.702	S	S	*	*	H	α-helix	trans	-66.9	-36.6	177.5	-64.9	169.7	0	0	0	111.1	W447 Q448 R453 L454	W447-I451 WeakPolarHBondContact O-CG1 2.79Å; W447-I451 PolarHBondContact O-N 2.92Å; Q448-I451 PolarHBondContact O-N 3.07Å; I451-R453 PolarHBondContact O-N 3.33Å; I451-R453 VanDerWaalsContact O-N 3.13Å; I451-L454 PolarHBondContact O-N 3.02Å
452	S	46	Very low	37.5	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-4.6	178.6	69.7	0	0	0	0	114.8	Q448 K449 R450	Q448-S452 PolarHBondContact O-N 3.21Å; K449-S452 PolarHBondContact O-OG 3.24Å; R450-S452 VanDerWaalsContact C-N 3.34Å
453	R	37.4	Very low	36.9	Very low	203 Å²	203	134.7 Å²	134.7	77%	0.766	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	3.1	-179.7	-70.9	-175	-173.6	-169.2	0.5	114	K449 R450 I451 P455	K449-R453 WeakPolarHBondContact O-CG 3.35Å; R450-R453 PolarHBondContact O-N 3.12Å; I451-R453 PolarHBondContact O-N 3.33Å; I451-R453 VanDerWaalsContact O-N 3.13Å; R453-P455 WeakPolarHBondContact O-CD 3.23Å
454	L	35.1	Very low	36	Very low	134 Å²	134	135.5 Å²	135.5	70%	0.702	70%	0.704	S	S	*	*			trans	-81.7	117.5	172	-81.7	91.1	0	0	0	109.7	R450 I451	R450-L454 VanDerWaalsContact O-CD1 3.28Å; R450-L454 WeakPolarHBondContact O-CD1 3.2Å; I451-L454 PolarHBondContact O-N 3.02Å
455	P	32.2	Very low	35.5	Very low	99 Å²	99	144.8 Å²	144.8	64%	0.643	74%	0.739	S	S	*	*			trans	-83	147.2	174.3	34.8	-30.3	0	0	0	110.2	R453	R453-P455 WeakPolarHBondContact O-CD 3.23Å
456	H	32.6	Very low	34.6	Very low	165 Å²	165	145.7 Å²	145.7	76%	0.764	74%	0.742	S	S	*	*			trans	85.2	73.1	169.5	-49.8	-56.4	0	0	0	117.5	L458	H456-L458 PolarHBondContact O-N 3.3Å
457	F	27.6	Very low	33.8	Very low	192 Å²	192	145.5 Å²	145.5	84%	0.842	75%	0.752	S	S	*	*				-50.9	110	128.1	-93.2	-99	0	0	0	109.3	N459	F457-N459 PolarHBondContact O-N 3.08Å
458	L	26.5	Very low	33.5	Very low	170 Å²	170	145.4 Å²	145.4	89%	0.89	76%	0.763	S	S	*	*			trans	-82.5	101.5	161	-82	166.8	0	0	0	107.8	H456	H456-L458 PolarHBondContact O-N 3.3Å
459	N	25.3	Very low	32.6	Very low	130 Å²	130	146.1 Å²	146.1	70%	0.695	77%	0.771	S	S	*	*			trans	-71.8	144.7	168.7	-84.1	-25.7	0	0	0	111.2	F457	F457-N459 PolarHBondContact O-N 3.08Å
460	S	25.1	Very low	31.3	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	78%	0.782	S	S	*	*			trans	57.8	110.2	145.5	61	0	0	0	0	119.7
461	V	22.3	Very low	30.4	Very low	150 Å²	150	146.8 Å²	146.8	91%	0.909	80%	0.797	S	S	*	*			trans	-90.1	112.5	140.9	179.2	0	0	0	0	106.4
462	G	21.6	Very low	29.1	Very low	65 Å²	65	148.2 Å²	148.2	67%	0.67	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80	138.5	170.6	0	0	0	0	0	110.7
463	L	22.9	Very low	27.8	Very low	178 Å²	178	152.5 Å²	152.5	93%	0.932	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-96.8	125.8	153.1	-76.9	163.9	0	0	0	106.5
464	S	22.9	Very low	27	Very low	117 Å²	117	148.3 Å²	148.3	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.6	127.5	175.4	52	0	0	0	0	110.7
465	Q	30.5	Very low	26.3	Very low	269 Å²	269	149.5 Å²	149.5	100%	1.257	84%	0.835	S	S	*	*			trans	51.5	0	170.9	-69.7	-171.4	-8.1	0	0	118.7

Retrieved 465 of 465 residues in 99.4 ms (Link to these results)

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