A0A075T8K1_MAIZE Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A075T8K1, Species MAIZE (Zea mays, Maize), Gene PP2C4, Length 370 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	35.5	Very low	32.8	Very low	243 Å²	243	140.6 Å²	140.6	100%	1.197	85%	0.848	S	S	*	*				0	116.5	0	-111.4	-157	-82.4	0	0	107.2
2	A	35.8	Very low	32.6	Very low	103 Å²	103	137.8 Å²	137.8	85%	0.851	85%	0.851	S	S	*	*			trans	31.7	141.9	158.4	0	0	0	0	0	120
3	A	33.7	Very low	32.2	Very low	84 Å²	84	136.7 Å²	136.7	69%	0.694	85%	0.852	S	S	*	*			cis	-178.7	118.8	-8.1	0	0	0	0	0	102
4	A	29.6	Very low	32.1	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	85%	0.845	S	S	*	*				37.1	107.3	104.4	0	0	0	0	0	115
5	M	34.6	Very low	32	Very low	185 Å²	185	129.8 Å²	129.8	91%	0.911	83%	0.832	S	S	*	*			trans	-133.1	109.4	150	-74.5	-172.6	69.5	0	0	107.9
6	C	28.7	Very low	31.7	Very low	108 Å²	108	128.6 Å²	128.6	73%	0.73	84%	0.837	S	S	*	*			trans	-71.1	147.1	166.2	-61.4	0	0	0	0	109.7
7	V	36.5	Very low	31.5	Very low	148 Å²	148	131.2 Å²	131.2	90%	0.897	84%	0.836	S	S	*	*			trans	-129.2	109.1	151.8	-114.5	0	0	0	0	105.1
8	D	31.2	Very low	31.2	Very low	144 Å²	144	130.3 Å²	130.3	77%	0.77	83%	0.834	S	S	*	*			trans	-67.6	134.6	168.3	-62.9	-63	0	0	0	108.6
9	D	33.7	Very low	31.1	Very low	166 Å²	166	128.3 Å²	128.3	89%	0.888	83%	0.83	S	S	*	*			trans	-131.8	122.9	152.7	-140.8	-25.3	0	0	0	108
10	E	32.5	Very low	30.9	Very low	176 Å²	176	125.7 Å²	125.7	82%	0.822	83%	0.827	S	S	*	*			trans	-76.3	138.1	-162.8	-82.4	175.5	100.1	0	0	112.7
11	A	28.8	Very low	30.8	Very low	93 Å²	93	125.7 Å²	125.7	77%	0.769	82%	0.824	S	S	*	*			trans	35.8	100.3	134.2	0	0	0	0	0	119.3
12	A	31	Very low	30.6	Very low	106 Å²	106	121.5 Å²	121.5	88%	0.876	81%	0.807	S	S	*	*			trans	-134.8	64.3	141	0	0	0	0	0	109.8
13	S	27.1	Very low	30.4	Very low	124 Å²	124	124.3 Å²	124.3	87%	0.867	80%	0.8	S	S	*	*			trans	-86	97.7	160.2	136	0	0	0	0	106.5
14	A	30.4	Very low	30.8	Very low	92 Å²	92	122.6 Å²	122.6	76%	0.76	78%	0.779	S	S	*	*			trans	-127.9	101.7	174.2	0	0	0	0	0	110
15	A	30.5	Very low	30.9	Very low	78 Å²	78	122.5 Å²	122.5	65%	0.645	77%	0.765	S	S	*	*			trans	53.9	86.9	142.3	0	0	0	0	0	117.7	E17	A15-E17 HydrophobicContact CB-CG 4.3Å; A15-E17 PolarHBondContact O-N 3.18Å
16	A	26.9	Very low	31.3	Very low	111 Å²	111	116.2 Å²	116.2	92%	0.917	74%	0.735	S	S	*	*			trans	-63.2	84.7	140.2	0	0	0	0	0	108.3	S18	A16-S18 PolarHBondContact O-N 3.23Å
17	E	28.2	Very low	31.2	Very low	173 Å²	173	113 Å²	113	81%	0.808	72%	0.72	S	S	*	*			trans	-77.7	110.4	167.1	-91.2	-178.8	171.6	0	0	108.8	A15 A19	A15-E17 HydrophobicContact CB-CG 4.3Å; A15-E17 PolarHBondContact O-N 3.18Å; E17-A19 PolarHBondContact O-N 2.97Å
18	S	27.1	Very low	31	Very low	115 Å²	115	107.9 Å²	107.9	80%	0.804	69%	0.693	S	S	*	*			trans	-55.3	94	168.3	53.9	0	0	0	0	110.5	A16 G20	A16-S18 PolarHBondContact O-N 3.23Å; S18-G20 PolarHBondContact O-N 3.36Å
19	A	29.7	Very low	31	Very low	91 Å²	91	106.2 Å²	106.2	75%	0.752	70%	0.699	S	S	*	*			trans	-67	112.7	160.9	0	0	0	0	0	107.6	E17 V21	E17-A19 PolarHBondContact O-N 2.97Å; A19-V21 PolarHBondContact O-N 3.02Å; A19-V21 VanDerWaalsContact O-N 3.07Å
20	G	26.5	Very low	31	Very low	76 Å²	76	103.4 Å²	103.4	78%	0.784	70%	0.699	S	S	*	*			trans	-51	113.4	-176.6	0	0	0	0	0	111.8	S18 D22	S18-G20 PolarHBondContact O-N 3.36Å; G20-D22 PolarHBondContact O-N 2.94Å; G20-D22 VanDerWaalsContact O-N 3.07Å
21	V	29.1	Very low	30.9	Very low	126 Å²	126	97.2 Å²	97.2	76%	0.764	68%	0.683	S	S	*	*			trans	-69.3	100.7	165.3	-177.4	0	0	0	0	106	A19 K23	A19-V21 PolarHBondContact O-N 3.02Å; A19-V21 VanDerWaalsContact O-N 3.07Å; V21-K23 PolarHBondContact O-N 3.25Å
22	D	30.1	Very low	31.3	Very low	156 Å²	156	97.1 Å²	97.1	83%	0.834	69%	0.69	S	S	*	*			trans	-63.6	83.7	157.2	-95.4	-17.6	0	0	0	106.5	G20 L24	G20-D22 PolarHBondContact O-N 2.94Å; G20-D22 VanDerWaalsContact O-N 3.07Å; D22-L24 PolarHBondContact O-N 2.96Å
23	K	32.1	Very low	32.3	Very low	161 Å²	161	98.2 Å²	98.2	70%	0.7	68%	0.675	S	S	*	*			trans	-51.9	114.8	174.7	-143.8	177.2	-173.6	-176.8	0	105.3	V21 D25	V21-K23 PolarHBondContact O-N 3.25Å; K23-D25 PolarHBondContact O-N 3.1Å
24	L	41.6	Very low	33.9	Very low	49 Å²	49	102 Å²	102	26%	0.257	67%	0.671	S	S	.	*			trans	-50.7	119.9	166.8	-95.1	164	0	0	0	106.1	D22 L26 V36 R277 K279	D22-L24 PolarHBondContact O-N 2.96Å; L24-L26 VanDerWaalsContact C-N 3.28Å; L24-L26 WeakPolarHBondContact O-CG 3.4Å; L24-L26 PolarHBondContact O-N 3.21Å; L24-V36 HydrophobicContact CD1-CG1 4.35Å; L24-R277 WeakPolarHBondContact CD1-O 3.47Å; L24-K279 HydrophobicContact CD2-CG 3.95Å
25	D	33	Very low	35.9	Very low	95 Å²	95	98.7 Å²	98.7	51%	0.508	64%	0.642	S	S	.	*			trans	-47.8	89.7	-178.3	-160.9	12	0	0	0	109.1	K23 G27 K33	K23-D25 PolarHBondContact O-N 3.1Å; D25-G27 PolarHBondContact O-N 3.27Å; D25-K33 IonicContact OD2-NZ 3Å; D25-K33 PolarHBondContact OD2-NZ 3.34Å
26	L	41.7	Very low	38.3	Very low	53 Å²	53	96 Å²	96	28%	0.277	62%	0.617	S	S	.	*			trans	-73.6	-9.8	-174	-85.3	164.1	0	0	0	111.4	L24 V36 Y37 L84	L24-L26 VanDerWaalsContact C-N 3.28Å; L24-L26 WeakPolarHBondContact O-CG 3.4Å; L24-L26 PolarHBondContact O-N 3.21Å; L26-V36 HydrophobicContact CD2-CG2 4.29Å; L26-Y37 HydrophobicContact CD2-CD2 4.4Å; L26-Y37 HydrophobicContact CD2-CE2 3.48Å; L26-Y37 VanDerWaalsContact CD2-CE2 3.48Å; L26-L84 WeakPolarHBondContact O-CD1 3.23Å; L26-L84 WeakPolarHBondContact O-CD2 3.14Å
27	G	28.1	Very low	40.8	Very low	41 Å²	41	91.6 Å²	91.6	42%	0.423	58%	0.577	S	S	.	*			trans	-113.7	124.3	-177.1	0	0	0	0	0	113.5	D25	D25-G27 PolarHBondContact O-N 3.27Å
28	A	31.4	Very low	43.2	Very low	39 Å²	39	87.5 Å²	87.5	32%	0.322	56%	0.56	S	S	.	*			trans	-161.5	69.5	149.1	0	0	0	0	0	112.9	A30 K33	A28-A30 PolarHBondContact O-N 3.29Å; A28-K33 HydrophobicContact CB-CB 4.01Å
29	A	31.4	Very low	45.6	Very low	109 Å²	109	86.9 Å²	86.9	90%	0.901	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	59.1	149.5	0	0	0	0	0	109.5
30	A	33.1	Very low	47.7	Very low	108 Å²	108	87.8 Å²	87.8	89%	0.893	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-172.1	2.9	167.7	0	0	0	0	0	113.8	A28	A28-A30 PolarHBondContact O-N 3.29Å
31	G	31.2	Very low	50	Low	46 Å²	46	85.2 Å²	85.2	47%	0.474	51%	0.508	S	S	.	.	S	Bend	trans	-168.5	75.6	-176.7	0	0	0	0	0	113.9	K33	G31-K33 PolarHBondContact O-N 2.99Å
32	G	38.1	Very low	52.6	Low	90 Å²	90	82.3 Å²	82.3	93%	0.928	50%	0.497	S	S	*	.	S	Bend	trans	55.7	-8	154.1	0	0	0	0	0	121.1
33	K	51	Low	55.4	Low	129 Å²	129	76.2 Å²	76.2	56%	0.561	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-93.4	119.6	-179.5	-67	173.5	-178.6	165.6	0	109.3	D25 A28 G31	D25-K33 IonicContact OD2-NZ 3Å; D25-K33 PolarHBondContact OD2-NZ 3.34Å; A28-K33 HydrophobicContact CB-CB 4.01Å; G31-K33 PolarHBondContact O-N 2.99Å
34	R	59.8	Low	58.3	Low	205 Å²	205	69.2 Å²	69.2	77%	0.774	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-68.7	138.9	172.4	-72.9	-177.4	178.3	174.4	-1	109.5
35	S	73.4	Confident	60.9	Low	21 Å²	21	68.1 Å²	68.1	15%	0.147	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-55.1	142.8	171.9	175.8	0	0	0	0	110.3	Y37 L38 M39	S35-Y37 PolarHBondContact O-N 2.96Å; S35-Y37 VanDerWaalsContact O-N 3.15Å; S35-Y37 WeakPolarHBondContact OG-CD2 3.28Å; S35-Y37 PolarHBondContact OG-N 2.76Å; S35-L38 WeakPolarHBondContact O-CA 3.27Å; S35-L38 WeakPolarHBondContact O-CB 3.46Å; S35-L38 PolarHBondContact O-N 3.42Å; S35-M39 PolarHBondContact O-N 2.69Å
36	V	79.9	Confident	64	Low	22 Å²	22	63.6 Å²	63.6	13%	0.133	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-56	-31	176.8	-66.9	0	0	0	0	111.8	L24 L26 L38 M39 S193	L24-V36 HydrophobicContact CD1-CG1 4.35Å; L26-V36 HydrophobicContact CD2-CG2 4.29Å; V36-L38 PolarHBondContact O-N 3.5Å; V36-M39 PolarHBondContact O-N 2.63Å; V36-S193 WeakPolarHBondContact O-CB 3.35Å; V36-S193 PolarHBondContact O-OG 2.79Å
37	Y	80.8	Confident	66.7	Low	18 Å²	18	62 Å²	62	7%	0.071	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-72	-4.2	176	-51.5	-65.8	0	0	0	114.3	L26 S35 V72 L75 A76 L81	L26-Y37 HydrophobicContact CD2-CD2 4.4Å; L26-Y37 HydrophobicContact CD2-CE2 3.48Å; L26-Y37 VanDerWaalsContact CD2-CE2 3.48Å; S35-Y37 PolarHBondContact O-N 2.96Å; S35-Y37 VanDerWaalsContact O-N 3.15Å; S35-Y37 WeakPolarHBondContact OG-CD2 3.28Å; S35-Y37 PolarHBondContact OG-N 2.76Å; Y37-V72 HydrophobicContact CD1-CG1 3.55Å; Y37-V72 HydrophobicContact CE1-CG1 3.97Å; Y37-V72 HydrophobicContact CG-CG1 3.92Å; Y37-L75 HydrophobicContact CE1-CB 4.26Å; Y37-A76 HydrophobicContact CE1-CB 4.2Å; Y37-A76 HydrophobicContact CE2-CB 4.2Å; Y37-A76 WeakPolarHBondContact OH-CB 3.29Å; Y37-L81 HydrophobicContact CD2-CD2 3.95Å; Y37-L81 HydrophobicContact CE2-CD2 4.21Å; Y37-L81 HydrophobicContact CG-CD2 4.38Å
38	L	78.3	Confident	70	Confident	88 Å²	88	60.2 Å²	60.2	46%	0.461	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-117.9	5.8	175.7	-60.4	177.8	0	0	0	112.6	S35 V36 L86 L91	S35-L38 WeakPolarHBondContact O-CA 3.27Å; S35-L38 WeakPolarHBondContact O-CB 3.46Å; S35-L38 PolarHBondContact O-N 3.42Å; V36-L38 PolarHBondContact O-N 3.5Å; L38-L86 HydrophobicContact CD1-CD2 3.93Å; L38-L86 HydrophobicContact CD2-CD2 4.28Å; L38-L86 HydrophobicContact CG-CD2 4.34Å; L38-L91 HydrophobicContact CD2-CD1 3.93Å
39	M	77.3	Confident	73.2	Confident	101 Å²	101	60.9 Å²	60.9	50%	0.498	38%	0.382	S	S	.	.			trans	-88.3	131.1	177.7	-63.6	-170.6	80.5	0	0	110	S35 V36 S193	S35-M39 PolarHBondContact O-N 2.69Å; V36-M39 PolarHBondContact O-N 2.63Å; M39-S193 WeakPolarHBondContact O-CB 3.5Å
40	D	74.9	Confident	76.4	Confident	110 Å²	110	57.6 Å²	57.6	59%	0.588	35%	0.351	S	S	*	.			trans	-72.8	136.2	165.7	-168.3	11.7	0	0	0	109.4
41	C	74.6	Confident	79.5	Confident	22 Å²	22	58.8 Å²	58.8	15%	0.149	33%	0.332	C	S	.	.			trans	-120.2	99.4	179.1	-173.1	0	0	0	0	106.6	H96 R277	C41-H96 PolarHBondContact O-CE1 3.02Å; C41-H96 PolarHBondContact O-NE2 3.19Å; C41-R277 PolarHBondContact SG-NH1 3.24Å
42	A	83.2	Confident	82.6	Confident	66 Å²	66	57.4 Å²	57.4	55%	0.545	32%	0.318	S	S	.	.			trans	-73.9	130.3	167.7	0	0	0	0	0	108.2	V44	A42-V44 PolarHBondContact O-N 3Å
43	P	87.9	Confident	85.3	Confident	27 Å²	27	59.7 Å²	59.7	18%	0.175	30%	0.299	C	S	.	.			trans	-72.7	130.9	-179.5	28.4	-28.6	0	0	0	109.7	P65 H96 F98	P43-P65 HydrophobicContact CG-CB 3.73Å; P43-P65 HydrophobicContact CG-CG 4.04Å; P43-H96 HydrophobicContact CB-CB 4.14Å; P43-H96 VanDerWaalsContact CD-CE1 3.48Å; P43-H96 WeakPolarHBondContact CD-CE1 3.42Å; P43-H96 HydrophobicContact CG-CB 4.46Å; P43-H96 WeakPolarHBondContact CG-ND1 3.38Å; P43-F98 HydrophobicContact CB-CZ 3.95Å
44	V	93.7	Very high	87.5	Confident	15 Å²	15	54.8 Å²	54.8	9%	0.091	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	104.5	174.3	-176.4	0	0	0	0	106.6	A42 D330 V358 D359	A42-V44 PolarHBondContact O-N 3Å; V44-D330 HydrophobicContact CB-CB 4.48Å; V44-D330 HydrophobicContact CG1-CB 3.46Å; V44-D330 VanDerWaalsContact CG1-CB 3.46Å; V44-V358 CarbonylContact O-C 3.37Å; V44-V358 WeakPolarHBondContact O-CA 3.09Å; V44-D359 HydrophobicContact CB-CB 4.06Å; V44-D359 HydrophobicContact CG1-CB 3.77Å; V44-D359 PolarHBondContact O-N 3.37Å
45	W	96.9	Very high	89.3	Confident	25 Å²	25	49.6 Å²	49.6	10%	0.095	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.7	-169.5	69	-78.3	0	0	0	112.3	C47 A63 F98 N329 D330 V357 V358	W45-C47 HydrophobicContact CE3-CB 4.17Å; W45-C47 HydrophobicContact CZ3-CB 3.68Å; W45-A63 HydrophobicContact CD2-CB 4.01Å; W45-A63 HydrophobicContact CE3-CB 3.72Å; W45-A63 HydrophobicContact CH2-CB 3.27Å; W45-A63 HydrophobicContact CZ2-CB 3.57Å; W45-A63 HydrophobicContact CZ3-CB 3.34Å; W45-F98 HydrophobicContact CB-CE1 3.64Å; W45-F98 HydrophobicContact CB-CZ 3.95Å; W45-F98 AromaticContact CD1-CE1 3.86Å; W45-F98 HydrophobicContact CD2-CD1 4.48Å; W45-F98 AromaticContact CD2-CE1 3.77Å; W45-F98 HydrophobicContact CD2-CE1 3.77Å; W45-F98 HydrophobicContact CE3-CE1 4.3Å; W45-F98 HydrophobicContact CG-CD1 4.45Å; W45-F98 AromaticContact CG-CE1 3.44Å; W45-F98 HydrophobicContact CG-CE1 3.44Å; W45-F98 VanDerWaalsContact CG-CE1 3.44Å; W45-F98 AromaticContact CG-CZ 3.99Å; W45-F98 HydrophobicContact CG-CZ 3.99Å; W45-N329 WeakPolarHBondContact CH2-OD1 3.48Å; W45-N329 VanDerWaalsContact CZ2-OD1 3.25Å; W45-N329 WeakPolarHBondContact CZ2-OD1 3.42Å; W45-N329 WeakPolarHBondContact CZ3-OD1 3.39Å; W45-N329 CarbonylContact O-C 3.51Å; W45-N329 WeakPolarHBondContact O-CA 3.49Å; W45-D330 PolarHBondContact O-N 2.92Å; W45-V357 CarbonylContact C-O 3.47Å; W45-V357 WeakPolarHBondContact CA-O 3.34Å; W45-V358 HydrophobicContact CB-CG2 4.11Å
46	G	97.6	Very high	90.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.7	171.6	0	0	0	0	0	110.4	I356 V357	G46-I356 WeakPolarHBondContact O-CA 3.43Å; G46-V357 PolarHBondContact N-O 2.99Å; G46-V357 PolarHBondContact O-N 3.26Å
47	C	98	Very high	91.3	Very high	19 Å²	19	57.1 Å²	57.1	13%	0.128	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.1	-175.4	-179.4	0	0	0	0	110.6	W45 C61 Q334 V355 I356	W45-C47 HydrophobicContact CE3-CB 4.17Å; W45-C47 HydrophobicContact CZ3-CB 3.68Å; C47-C61 PolarHBondContact SG-SG 2.9Å; C47-Q334 PolarHBondContact O-NE2 3.49Å; C47-Q334 PolarHBondContact O-OE1 3.07Å; C47-V355 CarbonylContact C-O 3.58Å; C47-V355 WeakPolarHBondContact CA-O 2.95Å; C47-I356 HydrophobicContact CB-CG1 4.18Å
48	A	98.2	Very high	92.1	Very high	5 Å²	5	58.5 Å²	58.5	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.8	174.7	0	0	0	0	0	108.6	A337 D338 M341 T354 V355	A48-A337 HydrophobicContact CB-CB 3.82Å; A48-D338 WeakPolarHBondContact CB-OD1 3.39Å; A48-M341 HydrophobicContact CB-CB 4.08Å; A48-M341 HydrophobicContact CB-CE 4.32Å; A48-M341 HydrophobicContact CB-SD 3.89Å; A48-T354 CarbonylContact O-C 3.53Å; A48-T354 WeakPolarHBondContact O-CA 3.45Å; A48-V355 PolarHBondContact N-O 2.89Å; A48-V355 PolarHBondContact O-N 2.83Å
49	S	98.1	Very high	93.1	Very high	52 Å²	52	54.7 Å²	54.7	36%	0.364	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.1	-177.1	-173.6	0	0	0	0	109.7	M57 I353 T354	S49-M57 WeakPolarHBondContact OG-CE 3.45Å; S49-I353 CarbonylContact C-O 3.51Å; S49-I353 VanDerWaalsContact CA-O 3.25Å; S49-I353 WeakPolarHBondContact CA-O 3.19Å; S49-T354 PolarHBondContact OG-OG1 3.42Å
50	T	98.4	Very high	94.1	Very high	41 Å²	41	50 Å²	50	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.3	-177.8	-175	0	0	0	0	110.8	G52 M341 I353	T50-G52 PolarHBondContact O-N 3.1Å; T50-G52 VanDerWaalsContact O-N 3.13Å; T50-G52 PolarHBondContact OG1-N 3.28Å; T50-M341 HydrophobicContact CG2-CG 3.63Å; T50-M341 HydrophobicContact CG2-SD 3.39Å; T50-M341 WeakPolarHBondContact CG2-SD 3.28Å; T50-I353 HydrophobicContact CG2-CB 4.04Å; T50-I353 HydrophobicContact CG2-CD1 4.14Å; T50-I353 HydrophobicContact CG2-CG1 4.4Å; T50-I353 PolarHBondContact N-O 3.48Å; T50-I353 PolarHBondContact O-N 3.27Å
51	R	97.9	Very high	95.2	Very high	132 Å²	132	46.4 Å²	46.4	50%	0.498	26%	0.261	S	S	.	.			trans	-66.3	-11.1	170.6	77.5	174.1	170.9	73.6	8.4	113.3	R53 S54 M57 N352	R51-R53 PolarHBondContact O-N 3.36Å; R51-R53 VanDerWaalsContact O-N 3.15Å; R51-S54 PolarHBondContact NH1-O 3.21Å; R51-S54 WeakPolarHBondContact O-CB 3.38Å; R51-S54 PolarHBondContact O-N 2.88Å; R51-M57 WeakPolarHBondContact CA-SD 3.48Å; R51-M57 HydrophobicContact CB-CB 4.05Å; R51-M57 HydrophobicContact CB-SD 3.92Å; R51-M57 PolarHBondContact N-SD 3.09Å; R51-N352 WeakPolarHBondContact CA-ND2 3.34Å; R51-N352 PolarHBondContact O-ND2 2.78Å
52	G	96.4	Very high	96.3	Very high	18 Å²	18	45.9 Å²	45.9	19%	0.186	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-119.7	-176.1	0	0	0	0	0	111.6	T50	T50-G52 PolarHBondContact O-N 3.1Å; T50-G52 VanDerWaalsContact O-N 3.13Å; T50-G52 PolarHBondContact OG1-N 3.28Å
53	R	96.1	Very high	96.9	Very high	138 Å²	138	44.3 Å²	44.3	52%	0.521	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-9.5	179.9	-60	171.5	-168.9	-101.5	4.1	112.4	R51 L345 E350	R51-R53 PolarHBondContact O-N 3.36Å; R51-R53 VanDerWaalsContact O-N 3.15Å; R53-L345 PolarHBondContact NH2-O 3.19Å; R53-E350 VanDerWaalsContact CB-OE2 3.27Å; R53-E350 WeakPolarHBondContact CB-OE2 3.37Å; R53-E350 WeakPolarHBondContact CD-OE1 3.47Å; R53-E350 WeakPolarHBondContact CD-OE2 3.41Å; R53-E350 IonicContact NE-OE1 3.58Å
54	S	96.7	Very high	97.3	Very high	26 Å²	26	43.5 Å²	43.5	18%	0.182	24%	0.241	C	C	.	.	S	Bend	trans	-59.9	154.6	174.4	-50.3	0	0	0	0	111.7	R51 E350 D351 N352	R51-S54 PolarHBondContact NH1-O 3.21Å; R51-S54 WeakPolarHBondContact O-CB 3.38Å; R51-S54 PolarHBondContact O-N 2.88Å; S54-E350 PolarHBondContact N-O 3.06Å; S54-E350 PolarHBondContact OG-O 3.25Å; S54-D351 VanDerWaalsContact OG-C 3.27Å; S54-D351 WeakPolarHBondContact OG-CA 3.49Å; S54-N352 VanDerWaalsContact CB-ND2 3.28Å; S54-N352 WeakPolarHBondContact CB-ND2 3.1Å; S54-N352 PolarHBondContact OG-N 3.4Å; S54-N352 PolarHBondContact OG-ND2 3.01Å
55	A	96.4	Very high	97.3	Very high	95 Å²	95	44.2 Å²	44.2	79%	0.785	25%	0.246	S	C	*	.	S	Bend	trans	-66.7	-39.7	177.8	0	0	0	0	0	111.8
56	E	96.8	Very high	97.2	Very high	134 Å²	134	48.6 Å²	48.6	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-127.5	164.4	-173.5	-60	-171.2	177.3	0	0	111.1	N352	E56-N352 PolarHBondContact O-ND2 2.79Å
57	M	98.3	Very high	97	Very high	68 Å²	68	48.8 Å²	48.8	34%	0.335	26%	0.263	S	S	.	.			trans	-107.5	101.4	176.7	-175.3	65.8	-179.1	0	0	108.8	S49 R51 D59 A107 N352	S49-M57 WeakPolarHBondContact OG-CE 3.45Å; R51-M57 WeakPolarHBondContact CA-SD 3.48Å; R51-M57 HydrophobicContact CB-CB 4.05Å; R51-M57 HydrophobicContact CB-SD 3.92Å; R51-M57 PolarHBondContact N-SD 3.09Å; M57-D59 HydrophobicContact CE-CB 3.3Å; M57-D59 WeakPolarHBondContact CE-O 3.45Å; M57-D59 HydrophobicContact SD-CB 4.05Å; M57-A107 WeakPolarHBondContact O-CB 3.35Å; M57-N352 WeakPolarHBondContact CA-OD1 3.45Å; M57-N352 HydrophobicContact SD-CB 4.38Å
58	E	98.5	Very high	96.9	Very high	46 Å²	46	48.4 Å²	48.4	22%	0.215	26%	0.261	C	S	.	.			trans	-99.3	-21.5	177.6	-55.6	-168.2	146	0	0	112.1	G103 H104 G105 G106 A107 A110 N352	E58-G103 WeakPolarHBondContact CB-O 3.28Å; E58-G103 WeakPolarHBondContact O-CA 3.44Å; E58-G103 PolarHBondContact O-N 3.3Å; E58-H104 WeakPolarHBondContact OE2-CA 3.41Å; E58-G105 PolarHBondContact OE2-N 2.7Å; E58-G106 WeakPolarHBondContact OE1-CA 3.14Å; E58-G106 PolarHBondContact OE1-N 3.16Å; E58-A107 HydrophobicContact CB-CB 4.5Å; E58-A110 WeakPolarHBondContact O-CB 3.28Å; E58-N352 PolarHBondContact N-OD1 3.33Å
59	D	98.7	Very high	96.7	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.043	28%	0.277	C	S	.	.			trans	-61.3	143.6	171.9	-103.5	3.7	0	0	0	113	M57 F101 D102 S288 N352 I353 T354	M57-D59 HydrophobicContact CE-CB 3.3Å; M57-D59 WeakPolarHBondContact CE-O 3.45Å; M57-D59 HydrophobicContact SD-CB 4.05Å; D59-F101 CarbonylContact C-O 3.58Å; D59-D102 WeakPolarHBondContact OD1-CA 3.45Å; D59-S288 WeakPolarHBondContact OD1-CB 3.46Å; D59-S288 PolarHBondContact OD2-OG 2.96Å; D59-N352 HydrophobicContact CB-CB 3.9Å; D59-N352 PolarHBondContact N-OD1 2.95Å; D59-N352 VanDerWaalsContact N-OD1 3.17Å; D59-I353 PolarHBondContact OD2-N 3.37Å; D59-T354 VanDerWaalsContact CB-OG1 3.3Å; D59-T354 WeakPolarHBondContact CB-OG1 3.17Å; D59-T354 VanDerWaalsContact CG-OG1 3.25Å; D59-T354 WeakPolarHBondContact OD2-CB 3.34Å; D59-T354 PolarHBondContact OD2-N 2.92Å; D59-T354 PolarHBondContact OD2-OG1 3.03Å
60	A	98.7	Very high	96.5	Very high	3 Å²	3	49 Å²	49	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.3	168.9	0	0	0	0	0	111.9	F101 A110 R114	A60-F101 HydrophobicContact CB-CB 4.36Å; A60-F101 HydrophobicContact CB-CD2 4.4Å; A60-F101 PolarHBondContact N-O 3.19Å; A60-F101 PolarHBondContact O-N 2.67Å; A60-A110 HydrophobicContact CB-CB 3.96Å; A60-R114 HydrophobicContact CB-CB 4.27Å
61	C	98.1	Very high	96.2	Very high	35 Å²	35	47.4 Å²	47.4	24%	0.236	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.7	175.6	59.7	0	0	0	0	112	C47 G99 R114 T354 I356	C47-C61 PolarHBondContact SG-SG 2.9Å; C61-G99 CarbonylContact C-O 3.56Å; C61-G99 VanDerWaalsContact CA-O 3.25Å; C61-G99 WeakPolarHBondContact CA-O 3.5Å; C61-R114 WeakPolarHBondContact O-CD 3.35Å; C61-R114 VanDerWaalsContact O-CG 3.23Å; C61-R114 WeakPolarHBondContact O-CG 3.32Å; C61-T354 HydrophobicContact CB-CG2 3.7Å; C61-I356 HydrophobicContact CB-CD1 4.19Å
62	A	97.4	Very high	96	Very high	10 Å²	10	41.1 Å²	41.1	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.6	170.6	0	0	0	0	0	110.5	L97 F98 G99 F101 R114	A62-L97 HydrophobicContact CB-CD2 4.41Å; A62-F98 CarbonylContact O-C 3.49Å; A62-F98 WeakPolarHBondContact O-CA 3.45Å; A62-G99 PolarHBondContact N-O 2.92Å; A62-G99 PolarHBondContact O-N 3.37Å; A62-F101 HydrophobicContact CB-CE2 3.87Å; A62-F101 HydrophobicContact CB-CZ 4.47Å; A62-R114 HydrophobicContact CB-CG 4.06Å
63	A	96.6	Very high	95.7	Very high	34 Å²	34	40.7 Å²	40.7	28%	0.281	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.5	166.9	0	0	0	0	0	108	W45 L97 F98	W45-A63 HydrophobicContact CD2-CB 4.01Å; W45-A63 HydrophobicContact CE3-CB 3.72Å; W45-A63 HydrophobicContact CH2-CB 3.27Å; W45-A63 HydrophobicContact CZ2-CB 3.57Å; W45-A63 HydrophobicContact CZ3-CB 3.34Å; A63-L97 CarbonylContact C-O 3.56Å; A63-L97 WeakPolarHBondContact CA-O 3.45Å; A63-F98 HydrophobicContact CB-CD1 3.82Å; A63-F98 HydrophobicContact CB-CE1 4.07Å
64	A	95.6	Very high	95.6	Very high	9 Å²	9	34.1 Å²	34.1	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	88.2	-175.2	0	0	0	0	0	109.8	R66 F67 H96 L97	A64-R66 PolarHBondContact O-N 2.69Å; A64-F67 HydrophobicContact CB-CB 3.7Å; A64-F67 WeakPolarHBondContact O-CB 3.39Å; A64-F67 PolarHBondContact O-N 3.26Å; A64-H96 WeakPolarHBondContact O-CA 3.32Å; A64-L97 HydrophobicContact CB-CB 4.32Å; A64-L97 PolarHBondContact N-O 2.93Å; A64-L97 PolarHBondContact O-N 2.94Å
65	P	94.8	Very high	95.4	Very high	30 Å²	30	33.3 Å²	33.3	20%	0.195	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	131.7	170.9	-28	38	0	0	0	111.9	P43 F67	P43-P65 HydrophobicContact CG-CB 3.73Å; P43-P65 HydrophobicContact CG-CG 4.04Å; P65-F67 PolarHBondContact O-N 3.45Å
66	R	93.6	Very high	95.2	Very high	117 Å²	117	29 Å²	29	44%	0.442	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	38.9	176	-65.3	178.4	-77.1	-97.6	-1.4	111.7	A64 A68 P94 A95 H96	A64-R66 PolarHBondContact O-N 2.69Å; R66-A68 VanDerWaalsContact C-N 3.27Å; R66-A68 PolarHBondContact O-N 3.24Å; R66-P94 HydrophobicContact CG-CB 4.49Å; R66-A95 CarbonylContact C-O 3.51Å; R66-A95 WeakPolarHBondContact CA-O 3.38Å; R66-A95 PolarHBondContact N-O 3.35Å; R66-H96 PolarHBondContact N-ND1 2.64Å; R66-H96 VanDerWaalsContact N-ND1 3.1Å
67	F	94.8	Very high	94.8	Very high	4 Å²	4	24 Å²	24	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-32	-175.6	86.4	-74.6	0	0	0	111.9	A64 P65 A95 L97 L121 R122 L125 V190	A64-F67 HydrophobicContact CB-CB 3.7Å; A64-F67 WeakPolarHBondContact O-CB 3.39Å; A64-F67 PolarHBondContact O-N 3.26Å; P65-F67 PolarHBondContact O-N 3.45Å; F67-A95 VanDerWaalsContact CD1-O 3.32Å; F67-A95 WeakPolarHBondContact CD1-O 3.25Å; F67-A95 HydrophobicContact CE1-CB 3.93Å; F67-A95 PolarHBondContact N-O 2.89Å; F67-L97 HydrophobicContact CB-CB 4.37Å; F67-L97 HydrophobicContact CD1-CB 3.5Å; F67-L97 HydrophobicContact CD2-CB 4.2Å; F67-L97 HydrophobicContact CD2-CD1 4.25Å; F67-L97 HydrophobicContact CE1-CB 3.76Å; F67-L97 HydrophobicContact CE1-CD1 4.49Å; F67-L97 HydrophobicContact CE2-CB 4.41Å; F67-L97 HydrophobicContact CE2-CD1 3.98Å; F67-L97 HydrophobicContact CG-CB 3.74Å; F67-L97 HydrophobicContact CZ-CB 4.2Å; F67-L97 HydrophobicContact CZ-CD1 4.11Å; F67-L121 HydrophobicContact CE2-CB 4.31Å; F67-L121 HydrophobicContact CE2-CD2 3.88Å; F67-L121 HydrophobicContact CE2-CG 4.08Å; F67-L121 HydrophobicContact CZ-CD2 3.92Å; F67-L121 HydrophobicContact CZ-CG 4.41Å; F67-R122 HydrophobicContact CD2-CB 4.48Å; F67-R122 PolarHBondContact O-NE 3.01Å; F67-R122 PolarHBondContact O-NH2 2.75Å; F67-L125 HydrophobicContact CE2-CD1 3.97Å; F67-L125 HydrophobicContact CZ-CD1 3.73Å; F67-V190 HydrophobicContact CE1-CG1 4.09Å; F67-V190 HydrophobicContact CE1-CG2 4.22Å; F67-V190 HydrophobicContact CZ-CG1 4.35Å; F67-V190 HydrophobicContact CZ-CG2 4.01Å
68	A	94.6	Very high	94.2	Very high	11 Å²	11	24.5 Å²	24.5	9%	0.091	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	161.6	178.8	0	0	0	0	0	110.1	R66 A95 R122 L125	R66-A68 VanDerWaalsContact C-N 3.27Å; R66-A68 PolarHBondContact O-N 3.24Å; A68-A95 PolarHBondContact O-N 3.06Å; A68-R122 HydrophobicContact CB-CB 4.44Å; A68-R122 HydrophobicContact CB-CG 4.36Å; A68-L125 HydrophobicContact CB-CD1 3.92Å
69	D	93.4	Very high	93.7	Very high	70 Å²	70	31.1 Å²	31.1	37%	0.374	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.1	165.4	-48	-56.6	0	0	0	109.7	R92 L93	D69-R92 HydrophobicContact CB-CB 3.5Å; D69-R92 HydrophobicContact CB-CG 4.46Å; D69-R92 PolarHBondContact O-NH1 3.16Å; D69-R92 PolarHBondContact O-NH2 3.27Å; D69-R92 IonicContact OD2-NH1 3.37Å; D69-L93 CarbonylContact C-O 3.6Å; D69-L93 WeakPolarHBondContact CA-O 3.18Å
70	V	94.2	Very high	93.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	125.7	178.7	174.6	0	0	0	0	108.9	V72 L74 L75 R92 L93 A95 L125 W145 V190	V70-V72 PolarHBondContact O-N 3.2Å; V70-L74 HydrophobicContact CG1-CB 4.4Å; V70-L74 HydrophobicContact CG1-CD1 4.46Å; V70-L75 HydrophobicContact CG1-CD1 3.94Å; V70-L75 HydrophobicContact CG1-CD2 4.32Å; V70-L75 HydrophobicContact CG1-CG 4.06Å; V70-R92 WeakPolarHBondContact O-CA 3.32Å; V70-L93 PolarHBondContact N-O 3Å; V70-L93 PolarHBondContact O-N 2.91Å; V70-A95 HydrophobicContact CG2-CB 3.55Å; V70-L125 HydrophobicContact CG2-CD1 4.44Å; V70-W145 HydrophobicContact CG1-CH2 3.92Å; V70-W145 HydrophobicContact CG1-CZ2 3.71Å; V70-W145 HydrophobicContact CG2-CH2 4.18Å; V70-V190 HydrophobicContact CG2-CG1 4.17Å
71	P	93.3	Very high	92.6	Very high	7 Å²	7	34.8 Å²	34.8	5%	0.045	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	124	170.4	-21.4	31.7	0	0	0	110.2	R73 L74 L132	P71-R73 PolarHBondContact O-N 3.48Å; P71-L74 HydrophobicContact CG-CD1 4.46Å; P71-L74 WeakPolarHBondContact O-CB 3.41Å; P71-L74 PolarHBondContact O-N 3.43Å; P71-L132 HydrophobicContact CB-CD1 4.46Å
72	V	92.9	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.1	-17.8	-176.5	-178.7	0	0	0	0	112	Y37 V70 L74 L75 A76 L81 L91 L93	Y37-V72 HydrophobicContact CD1-CG1 3.55Å; Y37-V72 HydrophobicContact CE1-CG1 3.97Å; Y37-V72 HydrophobicContact CG-CG1 3.92Å; V70-V72 PolarHBondContact O-N 3.2Å; V72-L74 PolarHBondContact O-N 2.69Å; V72-L74 VanDerWaalsContact O-N 3.14Å; V72-L75 CarbonylContact O-C 3.53Å; V72-L75 WeakPolarHBondContact O-CA 3.45Å; V72-L75 PolarHBondContact O-N 3.08Å; V72-A76 HydrophobicContact CG1-CB 4.31Å; V72-A76 PolarHBondContact O-N 3.47Å; V72-L81 HydrophobicContact CB-CD1 4.35Å; V72-L81 HydrophobicContact CG1-CD1 3.81Å; V72-L81 HydrophobicContact CG1-CD2 3.67Å; V72-L81 HydrophobicContact CG1-CG 4.36Å; V72-L91 HydrophobicContact CB-CB 4.32Å; V72-L91 HydrophobicContact CB-CD2 4.19Å; V72-L91 HydrophobicContact CB-CG 4.31Å; V72-L91 HydrophobicContact CG1-CD2 4.23Å; V72-L91 HydrophobicContact CG2-CB 4.12Å; V72-L91 HydrophobicContact CG2-CD2 3.82Å; V72-L91 HydrophobicContact CG2-CG 3.69Å; V72-L91 WeakPolarHBondContact CG2-O 3.4Å; V72-L91 PolarHBondContact N-O 2.96Å; V72-L91 VanDerWaalsContact N-O 3.08Å; V72-L93 HydrophobicContact CG2-CB 4.08Å
73	R	91.3	Very high	91.4	Very high	8 Å²	8	40.1 Å²	40.1	3%	0.03	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.2	-19.6	168.1	-64.3	-144.4	58.3	-173.7	-1.9	115.3	P71 L75 A88 L132 I135 C137 M141	P71-R73 PolarHBondContact O-N 3.48Å; R73-L75 VanDerWaalsContact C-N 3.34Å; R73-A88 HydrophobicContact CG-CB 4.27Å; R73-A88 WeakPolarHBondContact CG-O 3.4Å; R73-L132 HydrophobicContact CB-CB 4.35Å; R73-L132 HydrophobicContact CB-CD1 4.19Å; R73-L132 WeakPolarHBondContact CD-O 2.93Å; R73-L132 PolarHBondContact NH1-O 3.09Å; R73-I135 PolarHBondContact NH1-O 3.38Å; R73-C137 PolarHBondContact NH2-O 2.9Å; R73-M141 WeakPolarHBondContact O-CG 3.28Å
74	L	93.3	Very high	90.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-86.9	-4.1	172.5	-68.6	178.1	0	0	0	113.3	V70 P71 V72 L125 L128 L132 H144 W145	V70-L74 HydrophobicContact CG1-CB 4.4Å; V70-L74 HydrophobicContact CG1-CD1 4.46Å; P71-L74 HydrophobicContact CG-CD1 4.46Å; P71-L74 WeakPolarHBondContact O-CB 3.41Å; P71-L74 PolarHBondContact O-N 3.43Å; V72-L74 PolarHBondContact O-N 2.69Å; V72-L74 VanDerWaalsContact O-N 3.14Å; L74-L125 HydrophobicContact CD1-CD2 4.09Å; L74-L128 HydrophobicContact CD1-CD2 3.85Å; L74-L128 HydrophobicContact CD2-CD2 4.1Å; L74-L132 HydrophobicContact CD1-CD1 4.41Å; L74-L132 HydrophobicContact CD2-CD1 3.57Å; L74-L132 HydrophobicContact CG-CD1 3.68Å; L74-H144 HydrophobicContact CD2-CB 3.61Å; L74-W145 HydrophobicContact CB-CZ2 3.94Å; L74-W145 HydrophobicContact CD1-CH2 4.32Å; L74-W145 HydrophobicContact CD1-CZ2 4.01Å; L74-W145 PolarHBondContact O-NE1 2.87Å
75	L	92.9	Very high	90.4	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-20.4	-171.4	-55.3	178.9	0	0	0	113.2	Y37 V70 V72 R73 L93 W145 H195	Y37-L75 HydrophobicContact CE1-CB 4.26Å; V70-L75 HydrophobicContact CG1-CD1 3.94Å; V70-L75 HydrophobicContact CG1-CD2 4.32Å; V70-L75 HydrophobicContact CG1-CG 4.06Å; V72-L75 CarbonylContact O-C 3.53Å; V72-L75 WeakPolarHBondContact O-CA 3.45Å; V72-L75 PolarHBondContact O-N 3.08Å; R73-L75 VanDerWaalsContact C-N 3.34Å; L75-L93 HydrophobicContact CD1-CD2 4.03Å; L75-W145 HydrophobicContact CD2-CZ2 4.06Å; L75-H195 HydrophobicContact CD2-CB 3.93Å; L75-H195 PolarHBondContact O-CE1 3.37Å; L75-H195 VanDerWaalsContact O-CE1 3.29Å
76	A	90.9	Very high	90	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	24%	0.24	C	C	.	.	S	Bend	trans	-148.8	149.6	178.3	0	0	0	0	0	111	Y37 V72 L81 M141	Y37-A76 HydrophobicContact CE1-CB 4.2Å; Y37-A76 HydrophobicContact CE2-CB 4.2Å; Y37-A76 WeakPolarHBondContact OH-CB 3.29Å; V72-A76 HydrophobicContact CG1-CB 4.31Å; V72-A76 PolarHBondContact O-N 3.47Å; A76-L81 HydrophobicContact CB-CD1 4.11Å; A76-L81 HydrophobicContact CB-CD2 4.03Å; A76-L81 HydrophobicContact CB-CG 3.91Å; A76-M141 PolarHBondContact N-SD 3.3Å
77	S	88.4	Confident	89.6	Confident	28 Å²	28	42.7 Å²	42.7	20%	0.196	24%	0.244	C	C	.	.			trans	-66.4	156.5	173	77.2	0	0	0	0	110.8	R79 D80 L81	S77-R79 PolarHBondContact O-N 3.2Å; S77-D80 PolarHBondContact O-N 3Å; S77-D80 PolarHBondContact OG-N 2.95Å; S77-D80 VanDerWaalsContact OG-N 3.1Å; S77-D80 PolarHBondContact OG-OD2 2.63Å; S77-L81 WeakPolarHBondContact O-CG 3.33Å; S77-L81 PolarHBondContact O-N 3.28Å
78	R	86.9	Confident	89	Confident	80 Å²	80	42.6 Å²	42.6	30%	0.302	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-40.1	176.3	-176.6	173.2	-165.4	159.3	12	110.6	D80 L81 D82 A88 S136 D138	R78-D80 VanDerWaalsContact C-N 3.34Å; R78-D80 PolarHBondContact O-N 3Å; R78-L81 PolarHBondContact O-N 3.44Å; R78-D82 WeakPolarHBondContact O-CB 3.43Å; R78-D82 VanDerWaalsContact O-CG 3.29Å; R78-D82 PolarHBondContact O-N 3.22Å; R78-A88 HydrophobicContact CB-CB 4.36Å; R78-A88 HydrophobicContact CG-CB 3.95Å; R78-S136 PolarHBondContact NH1-O 2.87Å; R78-D138 PolarHBondContact N-OD1 3.3Å
79	R	86.8	Confident	88.4	Confident	185 Å²	185	44 Å²	44	70%	0.698	26%	0.259	S	S	*	.	H	α-helix	trans	-61.1	-40.7	179.3	-58.1	-175.3	-147.2	179.5	6.3	112.6	S77 L81 G83 D138	S77-R79 PolarHBondContact O-N 3.2Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-G83 PolarHBondContact O-N 3.18Å; R79-D138 IonicContact CZ-OD2 3.42Å; R79-D138 IonicContact NE-OD2 2.76Å; R79-D138 PolarHBondContact NE-OD2 3.15Å; R79-D138 IonicContact NH2-OD2 3.76Å; R79-D138 PolarHBondContact NH2-OD2 3Å
80	D	87.6	Confident	87.9	Confident	87 Å²	87	43.8 Å²	43.8	47%	0.465	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-39.3	178.2	-66.2	-44.5	0	0	0	111.1	S77 R78 G83 L84	S77-D80 PolarHBondContact O-N 3Å; S77-D80 PolarHBondContact OG-N 2.95Å; S77-D80 VanDerWaalsContact OG-N 3.1Å; S77-D80 PolarHBondContact OG-OD2 2.63Å; R78-D80 VanDerWaalsContact C-N 3.34Å; R78-D80 PolarHBondContact O-N 3Å; D80-G83 PolarHBondContact O-N 3.19Å; D80-L84 WeakPolarHBondContact O-CG 3.33Å; D80-L84 PolarHBondContact O-N 2.8Å
81	L	86.4	Confident	87.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-42.8	179.4	-65.1	167.7	0	0	0	112.2	Y37 V72 A76 S77 R78 R79 G83 L84 G85 L86 A88 L91	Y37-L81 HydrophobicContact CD2-CD2 3.95Å; Y37-L81 HydrophobicContact CE2-CD2 4.21Å; Y37-L81 HydrophobicContact CG-CD2 4.38Å; V72-L81 HydrophobicContact CB-CD1 4.35Å; V72-L81 HydrophobicContact CG1-CD1 3.81Å; V72-L81 HydrophobicContact CG1-CD2 3.67Å; V72-L81 HydrophobicContact CG1-CG 4.36Å; A76-L81 HydrophobicContact CB-CD1 4.11Å; A76-L81 HydrophobicContact CB-CD2 4.03Å; A76-L81 HydrophobicContact CB-CG 3.91Å; S77-L81 WeakPolarHBondContact O-CG 3.33Å; S77-L81 PolarHBondContact O-N 3.28Å; R78-L81 PolarHBondContact O-N 3.44Å; R79-L81 VanDerWaalsContact C-N 3.33Å; L81-G83 PolarHBondContact O-N 2.9Å; L81-L84 CarbonylContact O-C 3.56Å; L81-L84 WeakPolarHBondContact O-CA 3.44Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-G85 PolarHBondContact O-N 2.94Å; L81-L86 CarbonylContact C-O 3.47Å; L81-L86 HydrophobicContact CB-CB 4.37Å; L81-L86 HydrophobicContact CD2-CB 4.45Å; L81-L86 HydrophobicContact CD2-CD1 4.27Å; L81-L86 PolarHBondContact O-N 3.14Å; L81-A88 HydrophobicContact CB-CB 4.07Å; L81-A88 HydrophobicContact CD1-CB 3.48Å; L81-A88 VanDerWaalsContact CD1-CB 3.48Å; L81-A88 HydrophobicContact CG-CB 4.43Å; L81-L91 HydrophobicContact CD2-CD2 4.48Å
82	D	85.6	Confident	87.6	Confident	91 Å²	91	49.5 Å²	49.5	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-38.2	174.5	-70.7	-13.9	0	0	0	110.6	R78 L84 G85	R78-D82 WeakPolarHBondContact O-CB 3.43Å; R78-D82 VanDerWaalsContact O-CG 3.29Å; R78-D82 PolarHBondContact O-N 3.22Å; D82-L84 PolarHBondContact O-N 3.31Å; D82-G85 PolarHBondContact O-N 2.73Å
83	G	85.6	Confident	87.5	Confident	67 Å²	67	49.6 Å²	49.6	69%	0.691	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.9	173.3	0	0	0	0	0	114.4	R79 D80 L81	R79-G83 PolarHBondContact O-N 3.18Å; D80-G83 PolarHBondContact O-N 3.19Å; L81-G83 PolarHBondContact O-N 2.9Å
84	L	85	Confident	87.7	Confident	49 Å²	49	51.1 Å²	51.1	26%	0.257	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	1.1	174.2	-58.2	179.5	0	0	0	113.3	L26 D80 L81 D82 L86	L26-L84 WeakPolarHBondContact O-CD1 3.23Å; L26-L84 WeakPolarHBondContact O-CD2 3.14Å; D80-L84 WeakPolarHBondContact O-CG 3.33Å; D80-L84 PolarHBondContact O-N 2.8Å; L81-L84 CarbonylContact O-C 3.56Å; L81-L84 WeakPolarHBondContact O-CA 3.44Å; L81-L84 WeakPolarHBondContact O-CB 3.47Å; L81-L84 PolarHBondContact O-N 2.89Å; D82-L84 PolarHBondContact O-N 3.31Å; L84-L86 VanDerWaalsContact C-N 3.29Å; L84-L86 HydrophobicContact CB-CD1 3.99Å; L84-L86 HydrophobicContact CB-CG 3.89Å; L84-L86 HydrophobicContact CD1-CD1 4.24Å
85	G	86.6	Confident	87.8	Confident	70 Å²	70	51.1 Å²	51.1	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	26.5	-174	0	0	0	0	0	113.4	L81 D82	L81-G85 PolarHBondContact O-N 2.94Å; D82-G85 PolarHBondContact O-N 2.73Å
86	L	86.4	Confident	87.9	Confident	27 Å²	27	50.6 Å²	50.6	14%	0.141	30%	0.299	C	S	.	.			trans	-104.6	130.4	-179.3	-56.7	179.6	0	0	0	110.4	L38 L81 L84 A88 L91	L38-L86 HydrophobicContact CD1-CD2 3.93Å; L38-L86 HydrophobicContact CD2-CD2 4.28Å; L38-L86 HydrophobicContact CG-CD2 4.34Å; L81-L86 CarbonylContact C-O 3.47Å; L81-L86 HydrophobicContact CB-CB 4.37Å; L81-L86 HydrophobicContact CD2-CB 4.45Å; L81-L86 HydrophobicContact CD2-CD1 4.27Å; L81-L86 PolarHBondContact O-N 3.14Å; L84-L86 VanDerWaalsContact C-N 3.29Å; L84-L86 HydrophobicContact CB-CD1 3.99Å; L84-L86 HydrophobicContact CB-CG 3.89Å; L84-L86 HydrophobicContact CD1-CD1 4.24Å; L86-A88 PolarHBondContact O-N 3.06Å; L86-A88 VanDerWaalsContact O-N 3.1Å; L86-L91 HydrophobicContact CB-CD2 4.3Å; L86-L91 HydrophobicContact CD1-CD2 4.09Å
87	D	85.8	Confident	88.3	Confident	98 Å²	98	50.5 Å²	50.5	52%	0.524	30%	0.298	S	S	.	.			trans	-72.8	104.1	175.8	-178.9	-0.9	0	0	0	110.7	G89 A90 L91	D87-G89 PolarHBondContact O-N 2.86Å; D87-G89 PolarHBondContact OD1-N 3.26Å; D87-A90 HydrophobicContact CB-CB 4.22Å; D87-A90 PolarHBondContact O-N 2.87Å; D87-A90 WeakPolarHBondContact OD2-CB 3.03Å; D87-L91 VanDerWaalsContact O-CB 3.28Å; D87-L91 WeakPolarHBondContact O-CB 3.49Å; D87-L91 PolarHBondContact O-N 3.3Å
88	A	81.6	Confident	88.8	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.017	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.3	179.7	0	0	0	0	0	113.8	R73 R78 L81 L86	R73-A88 HydrophobicContact CG-CB 4.27Å; R73-A88 WeakPolarHBondContact CG-O 3.4Å; R78-A88 HydrophobicContact CB-CB 4.36Å; R78-A88 HydrophobicContact CG-CB 3.95Å; L81-A88 HydrophobicContact CB-CB 4.07Å; L81-A88 HydrophobicContact CD1-CB 3.48Å; L81-A88 VanDerWaalsContact CD1-CB 3.48Å; L81-A88 HydrophobicContact CG-CB 4.43Å; L86-A88 PolarHBondContact O-N 3.06Å; L86-A88 VanDerWaalsContact O-N 3.1Å
89	G	80.8	Confident	89.3	Confident	39 Å²	39	45.3 Å²	45.3	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-29.5	-177.1	0	0	0	0	0	113.2	D87	D87-G89 PolarHBondContact O-N 2.86Å; D87-G89 PolarHBondContact OD1-N 3.26Å
90	A	84	Confident	89.9	Confident	67 Å²	67	36.5 Å²	36.5	55%	0.554	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-25.6	-177.9	0	0	0	0	0	113.4	D87 R92	D87-A90 HydrophobicContact CB-CB 4.22Å; D87-A90 PolarHBondContact O-N 2.87Å; D87-A90 WeakPolarHBondContact OD2-CB 3.03Å; A90-R92 PolarHBondContact O-N 3.12Å
91	L	89.9	Confident	90.4	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.178	22%	0.219	C	C	.	.			trans	-73.9	122.6	-171.9	-166.1	67.9	0	0	0	111.6	L38 V72 L81 L86 D87	L38-L91 HydrophobicContact CD2-CD1 3.93Å; V72-L91 HydrophobicContact CB-CB 4.32Å; V72-L91 HydrophobicContact CB-CD2 4.19Å; V72-L91 HydrophobicContact CB-CG 4.31Å; V72-L91 HydrophobicContact CG1-CD2 4.23Å; V72-L91 HydrophobicContact CG2-CB 4.12Å; V72-L91 HydrophobicContact CG2-CD2 3.82Å; V72-L91 HydrophobicContact CG2-CG 3.69Å; V72-L91 WeakPolarHBondContact CG2-O 3.4Å; V72-L91 PolarHBondContact N-O 2.96Å; V72-L91 VanDerWaalsContact N-O 3.08Å; L81-L91 HydrophobicContact CD2-CD2 4.48Å; L86-L91 HydrophobicContact CB-CD2 4.3Å; L86-L91 HydrophobicContact CD1-CD2 4.09Å; D87-L91 VanDerWaalsContact O-CB 3.28Å; D87-L91 WeakPolarHBondContact O-CB 3.49Å; D87-L91 PolarHBondContact O-N 3.3Å
92	R	90.4	Very high	91	Very high	93 Å²	93	33 Å²	33	35%	0.351	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.7	173.4	-40.1	-171.3	96.8	-137.6	0.4	109.7	D69 V70 A90 L125	D69-R92 HydrophobicContact CB-CB 3.5Å; D69-R92 HydrophobicContact CB-CG 4.46Å; D69-R92 PolarHBondContact O-NH1 3.16Å; D69-R92 PolarHBondContact O-NH2 3.27Å; D69-R92 IonicContact OD2-NH1 3.37Å; V70-R92 WeakPolarHBondContact O-CA 3.32Å; A90-R92 PolarHBondContact O-N 3.12Å; R92-L125 PolarHBondContact NH2-O 3.22Å
93	L	92.4	Very high	91.6	Very high	3 Å²	3	29 Å²	29	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.2	-177.5	-173.8	66.1	0	0	0	110.1	D69 V70 V72 L75 A95 C192 S193	D69-L93 CarbonylContact C-O 3.6Å; D69-L93 WeakPolarHBondContact CA-O 3.18Å; V70-L93 PolarHBondContact N-O 3Å; V70-L93 PolarHBondContact O-N 2.91Å; V72-L93 HydrophobicContact CG2-CB 4.08Å; L75-L93 HydrophobicContact CD1-CD2 4.03Å; L93-A95 PolarHBondContact O-N 2.84Å; L93-C192 HydrophobicContact CD2-CB 3.54Å; L93-C192 VanDerWaalsContact CD2-SG 3.51Å; L93-C192 HydrophobicContact CG-CB 4.01Å; L93-S193 WeakPolarHBondContact CD1-OG 3.13Å; L93-S193 VanDerWaalsContact CD2-OG 3.29Å; L93-S193 WeakPolarHBondContact CD2-OG 3.12Å
94	P	93.8	Very high	92.2	Very high	39 Å²	39	27.2 Å²	27.2	25%	0.253	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	132.4	175.3	-24.9	34.5	0	0	0	110.8	R66	R66-P94 HydrophobicContact CG-CB 4.49Å
95	A	95.6	Very high	92.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154	179.1	0	0	0	0	0	111.8	R66 F67 A68 V70 L93 V190 V191 C192	R66-A95 CarbonylContact C-O 3.51Å; R66-A95 WeakPolarHBondContact CA-O 3.38Å; R66-A95 PolarHBondContact N-O 3.35Å; F67-A95 VanDerWaalsContact CD1-O 3.32Å; F67-A95 WeakPolarHBondContact CD1-O 3.25Å; F67-A95 HydrophobicContact CE1-CB 3.93Å; F67-A95 PolarHBondContact N-O 2.89Å; A68-A95 PolarHBondContact O-N 3.06Å; V70-A95 HydrophobicContact CG2-CB 3.55Å; L93-A95 PolarHBondContact O-N 2.84Å; A95-V190 HydrophobicContact CB-CG1 3.8Å; A95-V191 WeakPolarHBondContact CA-O 3.4Å; A95-C192 HydrophobicContact CB-CB 4.25Å
96	H	96.5	Very high	93.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.1	177.6	-35.5	-73.1	0	0	0	108.4	C41 P43 A64 R66 F98 V190 V191	C41-H96 PolarHBondContact O-CE1 3.02Å; C41-H96 PolarHBondContact O-NE2 3.19Å; P43-H96 HydrophobicContact CB-CB 4.14Å; P43-H96 VanDerWaalsContact CD-CE1 3.48Å; P43-H96 WeakPolarHBondContact CD-CE1 3.42Å; P43-H96 HydrophobicContact CG-CB 4.46Å; P43-H96 WeakPolarHBondContact CG-ND1 3.38Å; A64-H96 WeakPolarHBondContact O-CA 3.32Å; R66-H96 PolarHBondContact N-ND1 2.64Å; R66-H96 VanDerWaalsContact N-ND1 3.1Å; H96-F98 HydrophobicContact CB-CE2 3.85Å; H96-F98 HydrophobicContact CB-CZ 4.01Å; H96-V190 CarbonylContact O-C 3.48Å; H96-V190 WeakPolarHBondContact O-CA 3.39Å; H96-V191 PolarHBondContact CD2-O 2.93Å; H96-V191 PolarHBondContact N-O 3.35Å; H96-V191 PolarHBondContact O-N 2.95Å
97	L	98	Very high	94	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.2	177.7	-178.5	141.7	0	0	0	109.8	A62 A63 A64 F67 L117 Q118 L121 V188 A189 V190	A62-L97 HydrophobicContact CB-CD2 4.41Å; A63-L97 CarbonylContact C-O 3.56Å; A63-L97 WeakPolarHBondContact CA-O 3.45Å; A64-L97 HydrophobicContact CB-CB 4.32Å; A64-L97 PolarHBondContact N-O 2.93Å; A64-L97 PolarHBondContact O-N 2.94Å; F67-L97 HydrophobicContact CB-CB 4.37Å; F67-L97 HydrophobicContact CD1-CB 3.5Å; F67-L97 HydrophobicContact CD2-CB 4.2Å; F67-L97 HydrophobicContact CD2-CD1 4.25Å; F67-L97 HydrophobicContact CE1-CB 3.76Å; F67-L97 HydrophobicContact CE1-CD1 4.49Å; F67-L97 HydrophobicContact CE2-CB 4.41Å; F67-L97 HydrophobicContact CE2-CD1 3.98Å; F67-L97 HydrophobicContact CG-CB 3.74Å; F67-L97 HydrophobicContact CZ-CB 4.2Å; F67-L97 HydrophobicContact CZ-CD1 4.11Å; L97-L117 HydrophobicContact CD1-CD2 3.78Å; L97-L117 HydrophobicContact CD2-CD2 4.43Å; L97-Q118 HydrophobicContact CD2-CB 4.37Å; L97-L121 HydrophobicContact CD1-CD2 3.59Å; L97-V188 HydrophobicContact CD1-CG1 3.84Å; L97-V188 HydrophobicContact CD2-CG1 4.38Å; L97-V188 HydrophobicContact CG-CG1 3.89Å; L97-A189 WeakPolarHBondContact CA-O 3.12Å; L97-V190 HydrophobicContact CD1-CG2 4.5Å
98	F	98.4	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.9	170.4	-56	-76.8	0	0	0	108.1	P43 W45 A62 A63 H96 V188 A189 V191 L286 I356 V358	P43-F98 HydrophobicContact CB-CZ 3.95Å; W45-F98 HydrophobicContact CB-CE1 3.64Å; W45-F98 HydrophobicContact CB-CZ 3.95Å; W45-F98 AromaticContact CD1-CE1 3.86Å; W45-F98 HydrophobicContact CD2-CD1 4.48Å; W45-F98 AromaticContact CD2-CE1 3.77Å; W45-F98 HydrophobicContact CD2-CE1 3.77Å; W45-F98 HydrophobicContact CE3-CE1 4.3Å; W45-F98 HydrophobicContact CG-CD1 4.45Å; W45-F98 AromaticContact CG-CE1 3.44Å; W45-F98 HydrophobicContact CG-CE1 3.44Å; W45-F98 VanDerWaalsContact CG-CE1 3.44Å; W45-F98 AromaticContact CG-CZ 3.99Å; W45-F98 HydrophobicContact CG-CZ 3.99Å; A62-F98 CarbonylContact O-C 3.49Å; A62-F98 WeakPolarHBondContact O-CA 3.45Å; A63-F98 HydrophobicContact CB-CD1 3.82Å; A63-F98 HydrophobicContact CB-CE1 4.07Å; H96-F98 HydrophobicContact CB-CE2 3.85Å; H96-F98 HydrophobicContact CB-CZ 4.01Å; F98-V188 CarbonylContact O-C 3.58Å; F98-V188 VanDerWaalsContact O-CA 3.32Å; F98-V188 WeakPolarHBondContact O-CA 3.33Å; F98-A189 PolarHBondContact N-O 3.36Å; F98-A189 PolarHBondContact O-N 2.87Å; F98-V191 HydrophobicContact CD2-CG2 3.91Å; F98-V191 HydrophobicContact CE2-CB 4.17Å; F98-V191 HydrophobicContact CE2-CG2 3.94Å; F98-L286 HydrophobicContact CB-CD2 4.29Å; F98-I356 HydrophobicContact CB-CD1 4.24Å; F98-I356 HydrophobicContact CB-CG2 4.31Å; F98-I356 HydrophobicContact CD1-CG2 4.01Å; F98-I356 HydrophobicContact CG-CG2 4.35Å; F98-V358 HydrophobicContact CD1-CG2 4.16Å; F98-V358 HydrophobicContact CD2-CG2 3.74Å; F98-V358 HydrophobicContact CE1-CG2 4.15Å; F98-V358 HydrophobicContact CE2-CG1 4.04Å; F98-V358 HydrophobicContact CE2-CG2 3.71Å; F98-V358 HydrophobicContact CG-CG2 3.95Å; F98-V358 HydrophobicContact CZ-CG1 4.23Å; F98-V358 HydrophobicContact CZ-CG2 3.92Å
99	G	98.6	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.6	-179.2	0	0	0	0	0	111.8	C61 A62 V187 I356	C61-G99 CarbonylContact C-O 3.56Å; C61-G99 VanDerWaalsContact CA-O 3.25Å; C61-G99 WeakPolarHBondContact CA-O 3.5Å; A62-G99 PolarHBondContact N-O 2.92Å; A62-G99 PolarHBondContact O-N 3.37Å; G99-V187 CarbonylContact C-O 3.55Å; G99-V187 VanDerWaalsContact CA-O 3.3Å; G99-V187 WeakPolarHBondContact CA-O 3.23Å; G99-I356 WeakPolarHBondContact O-CD1 3.48Å
100	V	98.8	Very high	96.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.2	168.4	178.9	0	0	0	0	107.9	V187 L286 T354 I356	V100-V187 HydrophobicContact CB-CG1 3.86Å; V100-V187 PolarHBondContact N-O 3.47Å; V100-V187 PolarHBondContact O-N 3.4Å; V100-L286 HydrophobicContact CG2-CB 3.84Å; V100-T354 HydrophobicContact CG1-CG2 3.81Å; V100-T354 HydrophobicContact CG2-CG2 4.05Å; V100-I356 HydrophobicContact CG2-CD1 3.84Å; V100-I356 HydrophobicContact CG2-CG1 3.97Å
101	F	98.8	Very high	96.9	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	105.2	-175.2	-47	-73.4	0	0	0	107.6	D59 A60 A62 A110 C113 R114 L117 T185 A186 V188	D59-F101 CarbonylContact C-O 3.58Å; A60-F101 HydrophobicContact CB-CB 4.36Å; A60-F101 HydrophobicContact CB-CD2 4.4Å; A60-F101 PolarHBondContact N-O 3.19Å; A60-F101 PolarHBondContact O-N 2.67Å; A62-F101 HydrophobicContact CB-CE2 3.87Å; A62-F101 HydrophobicContact CB-CZ 4.47Å; F101-A110 HydrophobicContact CB-CB 3.99Å; F101-C113 HydrophobicContact CB-CB 4.26Å; F101-C113 HydrophobicContact CD1-CB 3.4Å; F101-C113 VanDerWaalsContact CD1-CB 3.4Å; F101-C113 HydrophobicContact CD2-CB 4.25Å; F101-C113 HydrophobicContact CE1-CB 3.71Å; F101-C113 HydrophobicContact CG-CB 3.69Å; F101-C113 HydrophobicContact CZ-CB 4.26Å; F101-R114 HydrophobicContact CD2-CB 4.04Å; F101-R114 VanDerWaalsContact CE2-CA 3.48Å; F101-R114 HydrophobicContact CE2-CB 4.05Å; F101-L117 HydrophobicContact CE1-CD1 4.02Å; F101-L117 HydrophobicContact CZ-CD1 4.44Å; F101-T185 WeakPolarHBondContact CA-O 3.45Å; F101-A186 HydrophobicContact CD1-CB 3.77Å; F101-A186 HydrophobicContact CE1-CB 3.93Å; F101-V188 HydrophobicContact CE1-CG2 4.04Å; F101-V188 HydrophobicContact CZ-CG2 4.34Å
102	D	98.8	Very high	97.3	Very high	13 Å²	13	21 Å²	21	7%	0.07	12%	0.119	C	C	.	.			trans	-91.1	110.1	-178.9	-167.3	-22.8	0	0	0	107.6	D59 S184 T185 S204 S288 D289	D59-D102 WeakPolarHBondContact OD1-CA 3.45Å; D102-S184 VanDerWaalsContact C-OG 3.29Å; D102-S184 PolarHBondContact N-OG 3.35Å; D102-S184 CarbonylContact O-C 3.59Å; D102-S184 WeakPolarHBondContact O-CA 3.49Å; D102-S184 WeakPolarHBondContact O-CB 3.25Å; D102-S184 PolarHBondContact O-OG 3.24Å; D102-T185 HydrophobicContact CB-CG2 3.87Å; D102-T185 WeakPolarHBondContact CB-OG1 3.35Å; D102-T185 PolarHBondContact N-OG1 3.39Å; D102-T185 PolarHBondContact O-N 2.84Å; D102-S204 WeakPolarHBondContact CB-OG 3.24Å; D102-S288 WeakPolarHBondContact OD2-CB 3.39Å; D102-D289 PolarHBondContact OD2-N 3.08Å
103	G	98.7	Very high	97.7	Very high	5 Å²	5	16.5 Å²	16.5	5%	0.052	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147.8	-174.1	0	0	0	0	0	111.3	E58	E58-G103 WeakPolarHBondContact CB-O 3.28Å; E58-G103 WeakPolarHBondContact O-CA 3.44Å; E58-G103 PolarHBondContact O-N 3.3Å
104	H	98.5	Very high	97.9	Very high	30 Å²	30	20.3 Å²	20.3	14%	0.139	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.9	173	57.1	-100.9	0	0	0	111.9	E58 G106 V182 G183 D259	E58-H104 WeakPolarHBondContact OE2-CA 3.41Å; H104-G106 PolarHBondContact O-N 3.44Å; H104-V182 WeakPolarHBondContact O-CA 3.39Å; H104-G183 PolarHBondContact N-O 2.97Å; H104-G183 WeakPolarHBondContact NE2-CA 3.48Å; H104-G183 PolarHBondContact O-N 2.8Å; H104-G183 VanDerWaalsContact O-N 3.08Å; H104-D259 IonicContact CD2-OD1 2.71Å; H104-D259 IonicContact CD2-OD2 3.59Å; H104-D259 IonicContact CE1-OD2 3.76Å; H104-D259 PolarHBondContact CE1-OD2 2.83Å; H104-D259 IonicContact NE2-OD1 3.56Å; H104-D259 PolarHBondContact NE2-OD1 2.84Å; H104-D259 IonicContact NE2-OD2 2.97Å; H104-D259 PolarHBondContact NE2-OD2 2.96Å
105	G	97.6	Very high	98	Very high	49 Å²	49	23.8 Å²	23.8	51%	0.505	13%	0.129	S	C	.	.	S	Bend	trans	75.5	4.1	-176.7	0	0	0	0	0	113.8	E58 V182	E58-G105 PolarHBondContact OE2-N 2.7Å; G105-V182 WeakPolarHBondContact O-CG2 3.29Å
106	G	98	Very high	98	Very high	9 Å²	9	26 Å²	26	9%	0.093	14%	0.138	C	C	.	.			trans	151	154	-177.4	0	0	0	0	0	111.8	E58 H104 E108 V182	E58-G106 WeakPolarHBondContact OE1-CA 3.14Å; E58-G106 PolarHBondContact OE1-N 3.16Å; H104-G106 PolarHBondContact O-N 3.44Å; G106-E108 VanDerWaalsContact C-N 3.35Å; G106-E108 VanDerWaalsContact C-OE2 3.28Å; G106-E108 VanDerWaalsContact CA-OE2 3.28Å; G106-E108 WeakPolarHBondContact CA-OE2 3.05Å; G106-V182 WeakPolarHBondContact O-CG1 3.37Å
107	A	98.4	Very high	98	Very high	23 Å²	23	26 Å²	26	19%	0.19	14%	0.138	C	C	.	.	S	Bend	trans	-84.1	-7.1	-178.7	0	0	0	0	0	113.6	M57 E58 V109 A110 N111	M57-A107 WeakPolarHBondContact O-CB 3.35Å; E58-A107 HydrophobicContact CB-CB 4.5Å; A107-V109 PolarHBondContact O-N 3.07Å; A107-A110 PolarHBondContact O-N 2.74Å; A107-N111 WeakPolarHBondContact CB-ND2 3.3Å; A107-N111 WeakPolarHBondContact O-CB 3.39Å; A107-N111 PolarHBondContact O-N 3.48Å; A107-N111 PolarHBondContact O-ND2 3.11Å
108	E	98.4	Very high	97.9	Very high	97 Å²	97	28.6 Å²	28.6	45%	0.453	15%	0.15	S	C	.	.	H	α-helix	trans	-64.8	-41.2	-167	-63.9	93.2	147.1	0	0	112.5	G106 Y112 A178	G106-E108 VanDerWaalsContact C-N 3.35Å; G106-E108 VanDerWaalsContact C-OE2 3.28Å; G106-E108 VanDerWaalsContact CA-OE2 3.28Å; G106-E108 WeakPolarHBondContact CA-OE2 3.05Å; E108-Y112 VanDerWaalsContact O-CB 3.29Å; E108-Y112 WeakPolarHBondContact O-CB 3.3Å; E108-Y112 PolarHBondContact O-N 3.29Å; E108-A178 HydrophobicContact CB-CB 3.89Å
109	V	98.6	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.4	-44	-179.8	-179.3	0	0	0	0	110.7	A107 N111 Y112 C113 V160 A178 V182 I257	A107-V109 PolarHBondContact O-N 3.07Å; V109-N111 PolarHBondContact O-N 3.34Å; V109-Y112 WeakPolarHBondContact O-CB 3.5Å; V109-Y112 PolarHBondContact O-N 3.29Å; V109-Y112 VanDerWaalsContact O-N 3.16Å; V109-C113 PolarHBondContact O-N 2.98Å; V109-C113 PolarHBondContact O-SG 2.81Å; V109-V160 HydrophobicContact CG1-CG1 4.28Å; V109-V160 HydrophobicContact CG1-CG2 4.3Å; V109-V160 HydrophobicContact CG2-CG1 3.76Å; V109-A178 HydrophobicContact CG2-CB 3.79Å; V109-V182 HydrophobicContact CB-CG1 4.35Å; V109-V182 HydrophobicContact CG2-CB 4.14Å; V109-V182 HydrophobicContact CG2-CG1 3.74Å; V109-I257 HydrophobicContact CG1-CB 4.35Å; V109-I257 HydrophobicContact CG1-CG2 3.93Å
110	A	98.7	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-45.3	176	0	0	0	0	0	112.1	E58 A60 F101 A107 Y112 C113 R114 S184	E58-A110 WeakPolarHBondContact O-CB 3.28Å; A60-A110 HydrophobicContact CB-CB 3.96Å; F101-A110 HydrophobicContact CB-CB 3.99Å; A107-A110 PolarHBondContact O-N 2.74Å; A110-Y112 VanDerWaalsContact C-N 3.35Å; A110-Y112 PolarHBondContact O-N 3.16Å; A110-C113 WeakPolarHBondContact O-CB 3.2Å; A110-C113 PolarHBondContact O-N 2.99Å; A110-R114 PolarHBondContact O-N 3.29Å; A110-S184 WeakPolarHBondContact CA-OG 3.42Å; A110-S184 WeakPolarHBondContact CB-OG 3.19Å
111	N	98.5	Very high	97.5	Very high	49 Å²	49	30.9 Å²	30.9	26%	0.262	16%	0.163	S	C	.	.	H	α-helix	trans	-63.4	-39.4	174.8	-75.9	-56.3	0	0	0	112.1	A107 V109 R114 E115	A107-N111 WeakPolarHBondContact CB-ND2 3.3Å; A107-N111 WeakPolarHBondContact O-CB 3.39Å; A107-N111 PolarHBondContact O-N 3.48Å; A107-N111 PolarHBondContact O-ND2 3.11Å; V109-N111 PolarHBondContact O-N 3.34Å; N111-R114 WeakPolarHBondContact O-CB 3.39Å; N111-R114 PolarHBondContact O-N 3.3Å; N111-R114 PolarHBondContact OD1-NH1 3.24Å; N111-R114 PolarHBondContact OD1-NH2 3.39Å; N111-R114 VanDerWaalsContact OD1-NH2 3.15Å; N111-E115 PolarHBondContact O-N 2.87Å
112	Y	98	Very high	97.4	Very high	28 Å²	28	36.4 Å²	36.4	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-43.1	175.5	-167.8	-105	0	0	0	111.7	E108 V109 A110 R114 E115 R116 L156 E159 V160 R166 V177	E108-Y112 VanDerWaalsContact O-CB 3.29Å; E108-Y112 WeakPolarHBondContact O-CB 3.3Å; E108-Y112 PolarHBondContact O-N 3.29Å; V109-Y112 WeakPolarHBondContact O-CB 3.5Å; V109-Y112 PolarHBondContact O-N 3.29Å; V109-Y112 VanDerWaalsContact O-N 3.16Å; A110-Y112 VanDerWaalsContact C-N 3.35Å; A110-Y112 PolarHBondContact O-N 3.16Å; Y112-R114 PolarHBondContact O-N 3.22Å; Y112-E115 PolarHBondContact O-N 3.03Å; Y112-R116 HydrophobicContact CD1-CB 4.24Å; Y112-R116 HydrophobicContact CE1-CB 3.98Å; Y112-R116 HydrophobicContact CE1-CG 3.85Å; Y112-R116 HydrophobicContact CE2-CB 4.42Å; Y112-R116 WeakPolarHBondContact O-CB 3.36Å; Y112-R116 PolarHBondContact O-N 3.01Å; Y112-L156 HydrophobicContact CD1-CD1 3.67Å; Y112-L156 HydrophobicContact CE1-CD1 3.59Å; Y112-E159 HydrophobicContact CE1-CB 4.05Å; Y112-E159 PolarHBondContact OH-OE2 3.07Å; Y112-V160 HydrophobicContact CD1-CG2 3.44Å; Y112-V160 VanDerWaalsContact CD1-CG2 3.44Å; Y112-V160 HydrophobicContact CE1-CG2 3.91Å; Y112-V160 HydrophobicContact CG-CG2 4.3Å; Y112-R166 WeakPolarHBondContact OH-CB 3.32Å; Y112-R166 WeakPolarHBondContact OH-CD 3.3Å; Y112-V177 HydrophobicContact CD1-CG2 4.33Å; Y112-V177 HydrophobicContact CD2-CG1 4.01Å; Y112-V177 HydrophobicContact CD2-CG2 3.95Å; Y112-V177 HydrophobicContact CE1-CG2 4.27Å; Y112-V177 HydrophobicContact CE2-CG2 3.91Å; Y112-V177 HydrophobicContact CG-CG1 4.01Å; Y112-V177 HydrophobicContact CG-CG2 4.18Å
113	C	98.4	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-47.5	174.9	-67.6	0	0	0	0	111.6	F101 V109 A110 E115 R116 L117 L156	F101-C113 HydrophobicContact CB-CB 4.26Å; F101-C113 HydrophobicContact CD1-CB 3.4Å; F101-C113 VanDerWaalsContact CD1-CB 3.4Å; F101-C113 HydrophobicContact CD2-CB 4.25Å; F101-C113 HydrophobicContact CE1-CB 3.71Å; F101-C113 HydrophobicContact CG-CB 3.69Å; F101-C113 HydrophobicContact CZ-CB 4.26Å; V109-C113 PolarHBondContact O-N 2.98Å; V109-C113 PolarHBondContact O-SG 2.81Å; A110-C113 WeakPolarHBondContact O-CB 3.2Å; A110-C113 PolarHBondContact O-N 2.99Å; C113-E115 VanDerWaalsContact C-N 3.29Å; C113-E115 PolarHBondContact O-N 2.92Å; C113-R116 PolarHBondContact O-N 2.85Å; C113-L117 WeakPolarHBondContact O-CB 3.5Å; C113-L117 PolarHBondContact O-N 2.89Å; C113-L156 HydrophobicContact CB-CD2 4.28Å
114	R	97.7	Very high	96.9	Very high	82 Å²	82	43.5 Å²	43.5	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-51.9	-46	176.6	175.3	-173	71.9	-149.7	-5.4	112.6	A60 C61 A62 F101 A110 N111 Y112	A60-R114 HydrophobicContact CB-CB 4.27Å; C61-R114 WeakPolarHBondContact O-CD 3.35Å; C61-R114 VanDerWaalsContact O-CG 3.23Å; C61-R114 WeakPolarHBondContact O-CG 3.32Å; A62-R114 HydrophobicContact CB-CG 4.06Å; F101-R114 HydrophobicContact CD2-CB 4.04Å; F101-R114 VanDerWaalsContact CE2-CA 3.48Å; F101-R114 HydrophobicContact CE2-CB 4.05Å; A110-R114 PolarHBondContact O-N 3.29Å; N111-R114 WeakPolarHBondContact O-CB 3.39Å; N111-R114 PolarHBondContact O-N 3.3Å; N111-R114 PolarHBondContact OD1-NH1 3.24Å; N111-R114 PolarHBondContact OD1-NH2 3.39Å; N111-R114 VanDerWaalsContact OD1-NH2 3.15Å; Y112-R114 PolarHBondContact O-N 3.22Å
115	E	95.6	Very high	96.7	Very high	112 Å²	112	42.1 Å²	42.1	52%	0.523	21%	0.209	S	C	.	.	H	α-helix	trans	-83.1	-39.7	-173.4	-69.7	172	-164.1	0	0	112.4	N111 Y112 C113	N111-E115 PolarHBondContact O-N 2.87Å; Y112-E115 PolarHBondContact O-N 3.03Å; C113-E115 VanDerWaalsContact C-N 3.29Å; C113-E115 PolarHBondContact O-N 2.92Å
116	R	96	Very high	96.5	Very high	46 Å²	46	47.4 Å²	47.4	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-93	-35.2	-166.5	-170.6	62.6	175.2	145.4	6.3	113.9	Y112 C113 Q118 V119 L120 L156 E159	Y112-R116 HydrophobicContact CD1-CB 4.24Å; Y112-R116 HydrophobicContact CE1-CB 3.98Å; Y112-R116 HydrophobicContact CE1-CG 3.85Å; Y112-R116 HydrophobicContact CE2-CB 4.42Å; Y112-R116 WeakPolarHBondContact O-CB 3.36Å; Y112-R116 PolarHBondContact O-N 3.01Å; C113-R116 PolarHBondContact O-N 2.85Å; R116-Q118 PolarHBondContact O-N 2.99Å; R116-V119 WeakPolarHBondContact O-CB 3.12Å; R116-V119 PolarHBondContact O-N 3.07Å; R116-L120 HydrophobicContact CG-CD1 3.96Å; R116-L120 HydrophobicContact CG-CG 4.13Å; R116-L120 PolarHBondContact O-N 3.33Å; R116-L120 VanDerWaalsContact O-N 3.07Å; R116-L156 HydrophobicContact CB-CD1 3.74Å; R116-L156 HydrophobicContact CG-CD1 3.72Å; R116-E159 WeakPolarHBondContact CG-OE2 3.24Å; R116-E159 IonicContact CZ-OE1 2.66Å; R116-E159 IonicContact CZ-OE2 3.09Å; R116-E159 IonicContact NE-OE1 3.53Å; R116-E159 IonicContact NE-OE2 3.91Å; R116-E159 PolarHBondContact NE-OE2 2.69Å; R116-E159 IonicContact NH2-OE1 3.86Å; R116-E159 PolarHBondContact NH2-OE1 2.87Å; R116-E159 IonicContact NH2-OE2 2.87Å
117	L	96.3	Very high	96.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-45.5	-171.4	-174.9	147	0	0	0	112.2	L97 F101 C113 V119 L120 L121 F153 L156 V188	L97-L117 HydrophobicContact CD1-CD2 3.78Å; L97-L117 HydrophobicContact CD2-CD2 4.43Å; F101-L117 HydrophobicContact CE1-CD1 4.02Å; F101-L117 HydrophobicContact CZ-CD1 4.44Å; C113-L117 WeakPolarHBondContact O-CB 3.5Å; C113-L117 PolarHBondContact O-N 2.89Å; L117-V119 PolarHBondContact O-N 3.28Å; L117-L120 PolarHBondContact O-N 3.14Å; L117-L121 WeakPolarHBondContact O-CB 3.45Å; L117-L121 PolarHBondContact O-N 2.86Å; L117-F153 HydrophobicContact CD1-CD1 4.34Å; L117-F153 HydrophobicContact CD1-CE1 3.72Å; L117-F153 HydrophobicContact CD1-CZ 4.15Å; L117-L156 HydrophobicContact CB-CD2 4.1Å; L117-L156 HydrophobicContact CD1-CD2 3.98Å; L117-L156 HydrophobicContact CG-CD2 4.42Å; L117-V188 HydrophobicContact CD1-CG2 3.79Å; L117-V188 HydrophobicContact CD2-CG1 4.06Å; L117-V188 HydrophobicContact CD2-CG2 3.98Å
118	Q	95.2	Very high	95.9	Very high	55 Å²	55	51.5 Å²	51.5	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-31.4	178	60.4	173	-6.8	0	0	113.1	L97 R116 R122	L97-Q118 HydrophobicContact CD2-CB 4.37Å; R116-Q118 PolarHBondContact O-N 2.99Å; Q118-R122 VanDerWaalsContact O-CB 3.23Å; Q118-R122 WeakPolarHBondContact O-CB 3.39Å; Q118-R122 PolarHBondContact O-N 3.24Å; Q118-R122 VanDerWaalsContact O-N 3.14Å
119	V	95.2	Very high	95.4	Very high	43 Å²	43	47.4 Å²	47.4	26%	0.261	21%	0.214	S	C	.	.	H	α-helix	trans	-74.1	-47	179.8	179.4	0	0	0	0	110	R116 L117 Q123	R116-V119 WeakPolarHBondContact O-CB 3.12Å; R116-V119 PolarHBondContact O-N 3.07Å; L117-V119 PolarHBondContact O-N 3.28Å; V119-Q123 WeakPolarHBondContact O-CG 3.41Å; V119-Q123 PolarHBondContact O-N 3.29Å
120	L	95.6	Very high	94.9	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-51.7	176.5	-68.5	177	0	0	0	110.5	R116 L117 R122 Q123 E124 R155 L156	R116-L120 HydrophobicContact CG-CD1 3.96Å; R116-L120 HydrophobicContact CG-CG 4.13Å; R116-L120 PolarHBondContact O-N 3.33Å; R116-L120 VanDerWaalsContact O-N 3.07Å; L117-L120 PolarHBondContact O-N 3.14Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.19Å; L120-Q123 WeakPolarHBondContact O-CB 3.33Å; L120-Q123 PolarHBondContact O-N 2.85Å; L120-E124 WeakPolarHBondContact O-CG 3.03Å; L120-E124 PolarHBondContact O-N 3.23Å; L120-R155 HydrophobicContact CD1-CB 4.4Å; L120-R155 HydrophobicContact CD1-CG 4.05Å; L120-R155 HydrophobicContact CD2-CG 4.01Å; L120-L156 HydrophobicContact CD1-CB 4.1Å; L120-L156 HydrophobicContact CD1-CD1 4.17Å
121	L	96.5	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-37.1	-177.5	-170.6	64.3	0	0	0	112.6	F67 L97 L117 Q123 L125 L148 F149 V190	F67-L121 HydrophobicContact CE2-CB 4.31Å; F67-L121 HydrophobicContact CE2-CD2 3.88Å; F67-L121 HydrophobicContact CE2-CG 4.08Å; F67-L121 HydrophobicContact CZ-CD2 3.92Å; F67-L121 HydrophobicContact CZ-CG 4.41Å; L97-L121 HydrophobicContact CD1-CD2 3.59Å; L117-L121 WeakPolarHBondContact O-CB 3.45Å; L117-L121 PolarHBondContact O-N 2.86Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; L121-L125 HydrophobicContact CD1-CG 4.49Å; L121-L125 HydrophobicContact CG-CD1 4.07Å; L121-L125 HydrophobicContact CG-CG 4.42Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.4Å; L121-L125 WeakPolarHBondContact O-CG 3.14Å; L121-L125 PolarHBondContact O-N 3.47Å; L121-L148 HydrophobicContact CD1-CD1 4.18Å; L121-L148 HydrophobicContact CD1-CD2 3.91Å; L121-L148 HydrophobicContact CD1-CG 3.87Å; L121-F149 HydrophobicContact CD1-CD1 4.31Å; L121-F149 HydrophobicContact CD1-CE1 4.08Å; L121-F149 HydrophobicContact CD1-CZ 4.44Å; L121-F149 HydrophobicContact CD2-CE1 3.81Å; L121-F149 HydrophobicContact CD2-CZ 4.08Å; L121-V190 HydrophobicContact CD2-CG2 3.93Å
122	R	96.3	Very high	93.8	Very high	117 Å²	117	54.2 Å²	54.2	44%	0.442	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-42.6	173.4	176	-172.1	-67.3	156.7	0.8	112	F67 A68 Q118 L120 R126	F67-R122 HydrophobicContact CD2-CB 4.48Å; F67-R122 PolarHBondContact O-NE 3.01Å; F67-R122 PolarHBondContact O-NH2 2.75Å; A68-R122 HydrophobicContact CB-CB 4.44Å; A68-R122 HydrophobicContact CB-CG 4.36Å; Q118-R122 VanDerWaalsContact O-CB 3.23Å; Q118-R122 WeakPolarHBondContact O-CB 3.39Å; Q118-R122 PolarHBondContact O-N 3.24Å; Q118-R122 VanDerWaalsContact O-N 3.14Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.19Å; R122-R126 PolarHBondContact O-N 3.02Å
123	Q	94.3	Very high	93	Very high	96 Å²	96	54.9 Å²	54.9	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-48.8	179.5	-71.7	171.4	-11.7	0	0	110.6	V119 L120 L121 R126 L127	V119-Q123 WeakPolarHBondContact O-CG 3.41Å; V119-Q123 PolarHBondContact O-N 3.29Å; L120-Q123 WeakPolarHBondContact O-CB 3.33Å; L120-Q123 PolarHBondContact O-N 2.85Å; L121-Q123 VanDerWaalsContact C-N 3.35Å; Q123-R126 WeakPolarHBondContact O-CB 3.33Å; Q123-R126 PolarHBondContact O-N 3.05Å; Q123-R126 VanDerWaalsContact O-N 3.16Å; Q123-L127 PolarHBondContact O-N 2.97Å; Q123-L127 VanDerWaalsContact O-N 3.12Å
124	E	93.4	Very high	92.2	Very high	71 Å²	71	62.4 Å²	62.4	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-42.6	179.9	-63.1	-62	158.1	0	0	112.1	L120 R126 L127 L128 L148	L120-E124 WeakPolarHBondContact O-CG 3.03Å; L120-E124 PolarHBondContact O-N 3.23Å; E124-R126 PolarHBondContact O-N 3.45Å; E124-L127 PolarHBondContact O-N 3.1Å; E124-L128 VanDerWaalsContact O-CB 3.25Å; E124-L128 WeakPolarHBondContact O-CB 3.36Å; E124-L128 PolarHBondContact O-N 3.13Å; E124-L148 HydrophobicContact CB-CD1 3.32Å; E124-L148 HydrophobicContact CG-CD1 4.44Å
125	L	94.6	Very high	91.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-30.6	174.5	-81.8	170.8	0	0	0	113.4	F67 A68 V70 L74 R92 L121 G129 W145 L148	F67-L125 HydrophobicContact CE2-CD1 3.97Å; F67-L125 HydrophobicContact CZ-CD1 3.73Å; A68-L125 HydrophobicContact CB-CD1 3.92Å; V70-L125 HydrophobicContact CG2-CD1 4.44Å; L74-L125 HydrophobicContact CD1-CD2 4.09Å; R92-L125 PolarHBondContact NH2-O 3.22Å; L121-L125 HydrophobicContact CD1-CG 4.49Å; L121-L125 HydrophobicContact CG-CD1 4.07Å; L121-L125 HydrophobicContact CG-CG 4.42Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.4Å; L121-L125 WeakPolarHBondContact O-CG 3.14Å; L121-L125 PolarHBondContact O-N 3.47Å; L125-G129 PolarHBondContact O-N 2.87Å; L125-W145 HydrophobicContact CD2-CH2 4.08Å; L125-W145 HydrophobicContact CD2-CZ3 4.15Å; L125-L148 HydrophobicContact CD2-CD2 3.48Å; L125-L148 VanDerWaalsContact CD2-CD2 3.48Å; L125-L148 HydrophobicContact CG-CD2 3.92Å
126	R	92.9	Very high	90.7	Very high	161 Å²	161	60.3 Å²	60.3	61%	0.608	30%	0.303	S	S	*	.	H	α-helix	trans	-70.4	-51.5	175.9	-179.5	-178.4	170.9	173	0.4	110.7	R122 Q123 E124 G129 E130	R122-R126 PolarHBondContact O-N 3.02Å; Q123-R126 WeakPolarHBondContact O-CB 3.33Å; Q123-R126 PolarHBondContact O-N 3.05Å; Q123-R126 VanDerWaalsContact O-N 3.16Å; E124-R126 PolarHBondContact O-N 3.45Å; R126-G129 PolarHBondContact O-N 3.13Å; R126-E130 IonicContact NE-OE1 3.41Å; R126-E130 PolarHBondContact NE-OE1 2.79Å; R126-E130 PolarHBondContact O-N 3.14Å
127	L	91.8	Very high	90.1	Very high	91 Å²	91	61.9 Å²	61.9	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-48.4	179.4	-65.9	173.6	0	0	0	111	Q123 E124 G129 E130 D131	Q123-L127 PolarHBondContact O-N 2.97Å; Q123-L127 VanDerWaalsContact O-N 3.12Å; E124-L127 PolarHBondContact O-N 3.1Å; L127-G129 PolarHBondContact O-N 3.45Å; L127-E130 WeakPolarHBondContact O-CB 3.38Å; L127-E130 PolarHBondContact O-N 3.34Å; L127-D131 PolarHBondContact O-N 3.24Å
128	L	91.1	Very high	89.5	Confident	26 Å²	26	64.4 Å²	64.4	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-34.9	178	-178.4	57.3	0	0	0	112.4	L74 E124 D131 L132 L148	L74-L128 HydrophobicContact CD1-CD2 3.85Å; L74-L128 HydrophobicContact CD2-CD2 4.1Å; E124-L128 VanDerWaalsContact O-CB 3.25Å; E124-L128 WeakPolarHBondContact O-CB 3.36Å; E124-L128 PolarHBondContact O-N 3.13Å; L128-D131 PolarHBondContact O-N 2.79Å; L128-L132 HydrophobicContact CD1-CD1 4.05Å; L128-L132 HydrophobicContact CD1-CG 3.98Å; L128-L132 HydrophobicContact CG-CD1 3.89Å; L128-L132 HydrophobicContact CG-CG 4.28Å; L128-L132 VanDerWaalsContact O-CB 3.27Å; L128-L132 WeakPolarHBondContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.37Å; L128-L148 HydrophobicContact CD2-CB 4.24Å; L128-L148 HydrophobicContact CD2-CD1 4.21Å; L128-L148 HydrophobicContact CD2-CD2 4.32Å; L128-L148 HydrophobicContact CD2-CG 4.48Å
129	G	88.5	Confident	89.1	Confident	12 Å²	12	63.1 Å²	63.1	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-37.6	174	0	0	0	0	0	113.7	L125 R126 L127 G133	L125-G129 PolarHBondContact O-N 2.87Å; R126-G129 PolarHBondContact O-N 3.13Å; L127-G129 PolarHBondContact O-N 3.45Å; G129-G133 PolarHBondContact O-N 2.99Å; G129-G133 VanDerWaalsContact O-N 3.09Å
130	E	87.7	Confident	88.9	Confident	98 Å²	98	65.5 Å²	65.5	46%	0.458	34%	0.341	S	S	.	.	H	α-helix	trans	-68.7	-41.1	177.2	-66.7	170.9	-169.7	0	0	110.8	R126 L127 G133	R126-E130 IonicContact NE-OE1 3.41Å; R126-E130 PolarHBondContact NE-OE1 2.79Å; R126-E130 PolarHBondContact O-N 3.14Å; L127-E130 WeakPolarHBondContact O-CB 3.38Å; L127-E130 PolarHBondContact O-N 3.34Å; E130-G133 PolarHBondContact O-N 2.86Å
131	D	88.3	Confident	88.8	Confident	92 Å²	92	68.2 Å²	68.2	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-47	177	-69	-20.9	0	0	0	112	L127 L128 G133 Q134 I135	L127-D131 PolarHBondContact O-N 3.24Å; L128-D131 PolarHBondContact O-N 2.79Å; D131-G133 PolarHBondContact O-N 3.13Å; D131-Q134 PolarHBondContact O-N 2.9Å; D131-I135 PolarHBondContact O-N 3.07Å
132	L	87.1	Confident	88.7	Confident	2 Å²	2	72 Å²	72	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-27.9	175.9	-71.9	173.8	0	0	0	112.3	P71 R73 L74 L128 Q134 I135 V139	P71-L132 HydrophobicContact CB-CD1 4.46Å; R73-L132 HydrophobicContact CB-CB 4.35Å; R73-L132 HydrophobicContact CB-CD1 4.19Å; R73-L132 WeakPolarHBondContact CD-O 2.93Å; R73-L132 PolarHBondContact NH1-O 3.09Å; L74-L132 HydrophobicContact CD1-CD1 4.41Å; L74-L132 HydrophobicContact CD2-CD1 3.57Å; L74-L132 HydrophobicContact CG-CD1 3.68Å; L128-L132 HydrophobicContact CD1-CD1 4.05Å; L128-L132 HydrophobicContact CD1-CG 3.98Å; L128-L132 HydrophobicContact CG-CD1 3.89Å; L128-L132 HydrophobicContact CG-CG 4.28Å; L128-L132 VanDerWaalsContact O-CB 3.27Å; L128-L132 WeakPolarHBondContact O-CB 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.37Å; L132-Q134 PolarHBondContact O-N 2.75Å; L132-I135 HydrophobicContact CD2-CD1 4.22Å; L132-I135 PolarHBondContact O-N 2.83Å; L132-V139 HydrophobicContact CD2-CB 4.38Å; L132-V139 HydrophobicContact CD2-CG1 3.91Å; L132-V139 HydrophobicContact CD2-CG2 4.06Å
133	G	79.9	Confident	88.6	Confident	41 Å²	41	71.3 Å²	71.3	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-63.6	-27.5	173.8	0	0	0	0	0	113.4	G129 E130 D131	G129-G133 PolarHBondContact O-N 2.99Å; G129-G133 VanDerWaalsContact O-N 3.09Å; E130-G133 PolarHBondContact O-N 2.86Å; D131-G133 PolarHBondContact O-N 3.13Å
134	Q	82.2	Confident	88.7	Confident	158 Å²	158	68.3 Å²	68.3	74%	0.738	36%	0.358	S	S	*	.	H	α-helix	trans	-89.1	-22.5	-177.3	-61.6	173.8	34.7	0	0	113.1	D131 L132	D131-Q134 PolarHBondContact O-N 2.9Å; L132-Q134 PolarHBondContact O-N 2.75Å
135	I	83.5	Confident	88.9	Confident	56 Å²	56	64.9 Å²	64.9	29%	0.287	34%	0.342	S	S	.	.			trans	-74.9	126.9	-178.6	-65.2	168.2	0	0	0	109.7	R73 D131 L132 V139	R73-I135 PolarHBondContact NH1-O 3.38Å; D131-I135 PolarHBondContact O-N 3.07Å; L132-I135 HydrophobicContact CD2-CD1 4.22Å; L132-I135 PolarHBondContact O-N 2.83Å; I135-V139 HydrophobicContact CD1-CG1 4.38Å; I135-V139 HydrophobicContact CG2-CG1 3.9Å
136	S	78.8	Confident	89	Confident	95 Å²	95	67.2 Å²	67.2	66%	0.664	36%	0.355	S	S	*	.			trans	-84.8	-32.9	-178	57.4	0	0	0	0	113.8	R78	R78-S136 PolarHBondContact NH1-O 2.87Å
137	C	82.5	Confident	89.2	Confident	78 Å²	78	65.2 Å²	65.2	53%	0.527	35%	0.352	S	S	.	.	S	Bend	trans	-84.9	167.7	-176	63.2	0	0	0	0	113.1	R73	R73-C137 PolarHBondContact NH2-O 2.9Å
138	D	83.3	Confident	89.5	Confident	54 Å²	54	61.4 Å²	61.4	29%	0.289	33%	0.332	S	S	.	.			trans	-62.9	150.9	169.2	-61.6	-51.9	0	0	0	110.5	R78 R79	R78-D138 PolarHBondContact N-OD1 3.3Å; R79-D138 IonicContact CZ-OD2 3.42Å; R79-D138 IonicContact NE-OD2 2.76Å; R79-D138 PolarHBondContact NE-OD2 3.15Å; R79-D138 IonicContact NH2-OD2 3.76Å; R79-D138 PolarHBondContact NH2-OD2 3Å
139	V	86.8	Confident	89.8	Confident	28 Å²	28	60.2 Å²	60.2	17%	0.17	33%	0.326	C	S	.	.			trans	-120.6	151.5	-177.3	-65.8	0	0	0	0	109.6	L132 I135 M141	L132-V139 HydrophobicContact CD2-CB 4.38Å; L132-V139 HydrophobicContact CD2-CG1 3.91Å; L132-V139 HydrophobicContact CD2-CG2 4.06Å; I135-V139 HydrophobicContact CD1-CG1 4.38Å; I135-V139 HydrophobicContact CG2-CG1 3.9Å; V139-M141 HydrophobicContact CG2-CG 4.41Å; V139-M141 PolarHBondContact O-N 2.86Å; V139-M141 VanDerWaalsContact O-N 3.07Å
140	D	91.9	Very high	90.3	Very high	93 Å²	93	61.7 Å²	61.7	50%	0.497	33%	0.333	S	S	.	.			trans	-74.1	97.8	167.6	-169.5	-34.7	0	0	0	108.9	K142 E143 H144	D140-K142 PolarHBondContact O-N 3.49Å; D140-K142 PolarHBondContact OD1-N 2.87Å; D140-E143 HydrophobicContact CB-CB 3.85Å; D140-E143 PolarHBondContact O-N 3.07Å; D140-E143 PolarHBondContact OD1-N 3.47Å; D140-E143 VanDerWaalsContact OD1-N 3.09Å; D140-H144 PolarHBondContact O-N 2.69Å; D140-H144 VanDerWaalsContact O-N 3.16Å; D140-H144 PolarHBondContact O-ND1 2.87Å
141	M	92.4	Very high	90.8	Very high	63 Å²	63	58.8 Å²	58.8	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-35.7	-177.3	-65.2	177.1	-74.8	0	0	112.2	R73 A76 V139 W145	R73-M141 WeakPolarHBondContact O-CG 3.28Å; A76-M141 PolarHBondContact N-SD 3.3Å; V139-M141 HydrophobicContact CG2-CG 4.41Å; V139-M141 PolarHBondContact O-N 2.86Å; V139-M141 VanDerWaalsContact O-N 3.07Å; M141-W145 PolarHBondContact O-N 3.02Å; M141-W145 VanDerWaalsContact O-N 3.11Å
142	K	94.8	Very high	91.2	Very high	78 Å²	78	54.4 Å²	54.4	34%	0.339	31%	0.306	S	S	.	.	H	α-helix	trans	-71.6	-42.8	-177.4	178.3	56.6	169.1	70.6	0	110.5	D140 H144 W145 D146 V272 V274	D140-K142 PolarHBondContact O-N 3.49Å; D140-K142 PolarHBondContact OD1-N 2.87Å; K142-H144 VanDerWaalsContact C-N 3.35Å; K142-H144 PolarHBondContact O-N 2.89Å; K142-W145 PolarHBondContact O-N 3.39Å; K142-D146 IonicContact NZ-OD1 2.77Å; K142-D146 PolarHBondContact NZ-OD1 3.16Å; K142-D146 IonicContact NZ-OD2 3.03Å; K142-D146 PolarHBondContact NZ-OD2 3.01Å; K142-D146 PolarHBondContact O-N 2.79Å; K142-V272 WeakPolarHBondContact CE-O 3.2Å; K142-V272 PolarHBondContact NZ-O 3.47Å; K142-V274 HydrophobicContact CD-CG2 4.06Å
143	E	95.6	Very high	91.8	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-59	-45.2	175.5	-171.3	171.3	-152.9	0	0	111.4	D140 W145 D146 E147	D140-E143 HydrophobicContact CB-CB 3.85Å; D140-E143 PolarHBondContact O-N 3.07Å; D140-E143 PolarHBondContact OD1-N 3.47Å; D140-E143 VanDerWaalsContact OD1-N 3.09Å; E143-W145 VanDerWaalsContact C-N 3.34Å; E143-W145 PolarHBondContact O-N 2.77Å; E143-D146 WeakPolarHBondContact O-CB 3.38Å; E143-D146 PolarHBondContact O-N 3.27Å; E143-D146 VanDerWaalsContact O-N 3.13Å; E143-E147 WeakPolarHBondContact O-CG 2.96Å; E143-E147 PolarHBondContact O-N 2.8Å
144	H	95.3	Very high	92.6	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.153	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-35.2	177.8	-69.6	75.7	0	0	0	112.7	L74 D140 K142 L148	L74-H144 HydrophobicContact CD2-CB 3.61Å; D140-H144 PolarHBondContact O-N 2.69Å; D140-H144 VanDerWaalsContact O-N 3.16Å; D140-H144 PolarHBondContact O-ND1 2.87Å; K142-H144 VanDerWaalsContact C-N 3.35Å; K142-H144 PolarHBondContact O-N 2.89Å; H144-L148 WeakPolarHBondContact O-CB 3.26Å; H144-L148 PolarHBondContact O-N 2.88Å
145	W	97.5	Very high	93.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-40.9	171.5	-83.1	116.6	0	0	0	112.1	V70 L74 L75 L125 M141 K142 E143 L148 F149 V197 V272 V274	V70-W145 HydrophobicContact CG1-CH2 3.92Å; V70-W145 HydrophobicContact CG1-CZ2 3.71Å; V70-W145 HydrophobicContact CG2-CH2 4.18Å; L74-W145 HydrophobicContact CB-CZ2 3.94Å; L74-W145 HydrophobicContact CD1-CH2 4.32Å; L74-W145 HydrophobicContact CD1-CZ2 4.01Å; L74-W145 PolarHBondContact O-NE1 2.87Å; L75-W145 HydrophobicContact CD2-CZ2 4.06Å; L125-W145 HydrophobicContact CD2-CH2 4.08Å; L125-W145 HydrophobicContact CD2-CZ3 4.15Å; M141-W145 PolarHBondContact O-N 3.02Å; M141-W145 VanDerWaalsContact O-N 3.11Å; K142-W145 PolarHBondContact O-N 3.39Å; E143-W145 VanDerWaalsContact C-N 3.34Å; E143-W145 PolarHBondContact O-N 2.77Å; W145-L148 HydrophobicContact CE3-CD2 3.65Å; W145-L148 HydrophobicContact CZ3-CD2 3.55Å; W145-F149 AromaticContact CE3-CD2 3.99Å; W145-F149 HydrophobicContact CE3-CD2 3.99Å; W145-F149 AromaticContact CE3-CE2 3.55Å; W145-F149 HydrophobicContact CE3-CE2 3.55Å; W145-F149 AromaticContact CZ3-CE2 3.82Å; W145-F149 HydrophobicContact CZ3-CE2 3.82Å; W145-F149 HydrophobicContact CZ3-CZ 4.44Å; W145-F149 WeakPolarHBondContact O-CD2 3.2Å; W145-F149 PolarHBondContact O-N 3.02Å; W145-F149 VanDerWaalsContact O-N 3.07Å; W145-V197 HydrophobicContact CD2-CG1 3.96Å; W145-V197 HydrophobicContact CD2-CG2 4.26Å; W145-V197 HydrophobicContact CE3-CG1 3.91Å; W145-V197 HydrophobicContact CG-CG1 4.36Å; W145-V197 HydrophobicContact CH2-CG2 4.24Å; W145-V197 HydrophobicContact CZ2-CG2 3.87Å; W145-V197 HydrophobicContact CZ3-CG1 4.33Å; W145-V272 HydrophobicContact CB-CG1 4.26Å; W145-V274 HydrophobicContact CB-CG2 4.12Å; W145-V274 HydrophobicContact CG-CG2 3.87Å
146	D	97.9	Very high	94	Very high	50 Å²	50	50 Å²	50	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-62.4	-46.9	176.6	-75.5	-27.4	0	0	0	111.5	K142 E143 T150 V272	K142-D146 IonicContact NZ-OD1 2.77Å; K142-D146 PolarHBondContact NZ-OD1 3.16Å; K142-D146 IonicContact NZ-OD2 3.03Å; K142-D146 PolarHBondContact NZ-OD2 3.01Å; K142-D146 PolarHBondContact O-N 2.79Å; E143-D146 WeakPolarHBondContact O-CB 3.38Å; E143-D146 PolarHBondContact O-N 3.27Å; E143-D146 VanDerWaalsContact O-N 3.13Å; D146-T150 WeakPolarHBondContact O-CB 3.44Å; D146-T150 PolarHBondContact O-N 3.27Å; D146-T150 PolarHBondContact O-OG1 3.5Å; D146-V272 WeakPolarHBondContact OD1-CB 3.39Å; D146-V272 WeakPolarHBondContact OD1-CG2 3.22Å
147	E	97	Very high	94.9	Very high	118 Å²	118	45.5 Å²	45.5	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-62.7	-46.7	177.2	-72.5	-179.6	169	0	0	111.7	E143 F149 T150 G151	E143-E147 WeakPolarHBondContact O-CG 2.96Å; E143-E147 PolarHBondContact O-N 2.8Å; E147-F149 PolarHBondContact O-N 2.62Å; E147-T150 PolarHBondContact O-N 2.85Å; E147-G151 PolarHBondContact O-N 2.87Å
148	L	97.2	Very high	95.6	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-52.3	179	175.3	70.9	0	0	0	111.8	L121 E124 L125 L128 H144 W145 C152	L121-L148 HydrophobicContact CD1-CD1 4.18Å; L121-L148 HydrophobicContact CD1-CD2 3.91Å; L121-L148 HydrophobicContact CD1-CG 3.87Å; E124-L148 HydrophobicContact CB-CD1 3.32Å; E124-L148 HydrophobicContact CG-CD1 4.44Å; L125-L148 HydrophobicContact CD2-CD2 3.48Å; L125-L148 VanDerWaalsContact CD2-CD2 3.48Å; L125-L148 HydrophobicContact CG-CD2 3.92Å; L128-L148 HydrophobicContact CD2-CB 4.24Å; L128-L148 HydrophobicContact CD2-CD1 4.21Å; L128-L148 HydrophobicContact CD2-CD2 4.32Å; L128-L148 HydrophobicContact CD2-CG 4.48Å; H144-L148 WeakPolarHBondContact O-CB 3.26Å; H144-L148 PolarHBondContact O-N 2.88Å; W145-L148 HydrophobicContact CE3-CD2 3.65Å; W145-L148 HydrophobicContact CZ3-CD2 3.55Å; L148-C152 VanDerWaalsContact O-CB 3.28Å; L148-C152 WeakPolarHBondContact O-CB 3.29Å; L148-C152 PolarHBondContact O-N 3.17Å
149	F	98.3	Very high	96.3	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-71.7	-37.4	-179.4	-83.8	-70.6	0	0	0	112.3	L121 W145 E147 C152 F153 V188 V190 V197 A199 P270 V272	L121-F149 HydrophobicContact CD1-CD1 4.31Å; L121-F149 HydrophobicContact CD1-CE1 4.08Å; L121-F149 HydrophobicContact CD1-CZ 4.44Å; L121-F149 HydrophobicContact CD2-CE1 3.81Å; L121-F149 HydrophobicContact CD2-CZ 4.08Å; W145-F149 AromaticContact CE3-CD2 3.99Å; W145-F149 HydrophobicContact CE3-CD2 3.99Å; W145-F149 AromaticContact CE3-CE2 3.55Å; W145-F149 HydrophobicContact CE3-CE2 3.55Å; W145-F149 AromaticContact CZ3-CE2 3.82Å; W145-F149 HydrophobicContact CZ3-CE2 3.82Å; W145-F149 HydrophobicContact CZ3-CZ 4.44Å; W145-F149 WeakPolarHBondContact O-CD2 3.2Å; W145-F149 PolarHBondContact O-N 3.02Å; W145-F149 VanDerWaalsContact O-N 3.07Å; E147-F149 PolarHBondContact O-N 2.62Å; F149-C152 PolarHBondContact O-N 3.05Å; F149-F153 HydrophobicContact CD1-CD1 4.4Å; F149-F153 AromaticContact CD1-CE1 3.85Å; F149-F153 HydrophobicContact CD1-CE1 3.85Å; F149-F153 WeakPolarHBondContact O-CB 3.45Å; F149-F153 VanDerWaalsContact O-CD1 3.3Å; F149-F153 WeakPolarHBondContact O-CD1 3.36Å; F149-F153 PolarHBondContact O-N 2.91Å; F149-V188 HydrophobicContact CE1-CG1 4.43Å; F149-V190 HydrophobicContact CZ-CG2 3.93Å; F149-V197 HydrophobicContact CE2-CG1 3.69Å; F149-V197 HydrophobicContact CZ-CG1 4.47Å; F149-A199 HydrophobicContact CB-CB 4.03Å; F149-A199 HydrophobicContact CD1-CB 3.35Å; F149-A199 HydrophobicContact CD2-CB 3.89Å; F149-A199 HydrophobicContact CE1-CB 3.62Å; F149-A199 HydrophobicContact CE2-CB 4.13Å; F149-A199 HydrophobicContact CG-CB 3.49Å; F149-A199 VanDerWaalsContact CG-CB 3.49Å; F149-A199 HydrophobicContact CZ-CB 4Å; F149-P270 HydrophobicContact CB-CG 3.96Å; F149-V272 HydrophobicContact CB-CG2 3.72Å; F149-V272 HydrophobicContact CD2-CG1 3.81Å; F149-V272 HydrophobicContact CD2-CG2 3.9Å; F149-V272 HydrophobicContact CE2-CG1 4.17Å; F149-V272 HydrophobicContact CG-CG2 4.12Å
150	T	98.4	Very high	96.8	Very high	43 Å²	43	39.8 Å²	39.8	26%	0.264	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-46.8	176	-60.8	0	0	0	0	111.1	D146 E147 F153 Q154 K269	D146-T150 WeakPolarHBondContact O-CB 3.44Å; D146-T150 PolarHBondContact O-N 3.27Å; D146-T150 PolarHBondContact O-OG1 3.5Å; E147-T150 PolarHBondContact O-N 2.85Å; T150-F153 PolarHBondContact O-N 2.88Å; T150-Q154 VanDerWaalsContact O-CB 3.26Å; T150-Q154 WeakPolarHBondContact O-CB 3.2Å; T150-Q154 PolarHBondContact O-N 2.97Å; T150-K269 HydrophobicContact CG2-CG 4.37Å
151	G	97.6	Very high	97	Very high	37 Å²	37	36 Å²	36	38%	0.381	18%	0.181	S	C	.	.	H	α-helix	trans	-62	-44.7	176.2	0	0	0	0	0	112.1	E147 R155	E147-G151 PolarHBondContact O-N 2.87Å; G151-R155 VanDerWaalsContact O-CB 3.28Å; G151-R155 WeakPolarHBondContact O-CB 3.26Å; G151-R155 PolarHBondContact O-N 2.78Å
152	C	97.6	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-45.5	177.8	-175.6	0	0	0	0	112.5	L148 F149 R155 L156	L148-C152 VanDerWaalsContact O-CB 3.28Å; L148-C152 WeakPolarHBondContact O-CB 3.29Å; L148-C152 PolarHBondContact O-N 3.17Å; F149-C152 PolarHBondContact O-N 3.05Å; C152-R155 PolarHBondContact O-N 2.79Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 PolarHBondContact O-N 3.5Å
153	F	98.5	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.9	-38.9	-178.5	-81.2	40	0	0	0	111.2	L117 F149 T150 L156 D157 A186 V188 A199 C201 I257 P268 P270	L117-F153 HydrophobicContact CD1-CD1 4.34Å; L117-F153 HydrophobicContact CD1-CE1 3.72Å; L117-F153 HydrophobicContact CD1-CZ 4.15Å; F149-F153 HydrophobicContact CD1-CD1 4.4Å; F149-F153 AromaticContact CD1-CE1 3.85Å; F149-F153 HydrophobicContact CD1-CE1 3.85Å; F149-F153 WeakPolarHBondContact O-CB 3.45Å; F149-F153 VanDerWaalsContact O-CD1 3.3Å; F149-F153 WeakPolarHBondContact O-CD1 3.36Å; F149-F153 PolarHBondContact O-N 2.91Å; T150-F153 PolarHBondContact O-N 2.88Å; F153-L156 WeakPolarHBondContact O-CB 3.37Å; F153-L156 PolarHBondContact O-N 3.04Å; F153-D157 WeakPolarHBondContact O-CB 3.5Å; F153-D157 PolarHBondContact O-N 3.36Å; F153-A186 HydrophobicContact CE2-CB 3.74Å; F153-A186 HydrophobicContact CZ-CB 4Å; F153-V188 HydrophobicContact CZ-CG2 4.2Å; F153-A199 HydrophobicContact CE1-CB 4.45Å; F153-A199 HydrophobicContact CZ-CB 4.14Å; F153-C201 HydrophobicContact CD2-CB 3.67Å; F153-C201 HydrophobicContact CE2-CB 3.53Å; F153-I257 HydrophobicContact CD2-CD1 4.29Å; F153-P268 WeakPolarHBondContact CB-O 3.46Å; F153-P270 HydrophobicContact CB-CG 4.25Å; F153-P270 HydrophobicContact CD1-CG 4.38Å; F153-P270 HydrophobicContact CD2-CB 3.76Å; F153-P270 HydrophobicContact CD2-CG 3.85Å; F153-P270 HydrophobicContact CE2-CB 3.78Å; F153-P270 HydrophobicContact CE2-CG 4.27Å; F153-P270 HydrophobicContact CG-CB 4.31Å; F153-P270 HydrophobicContact CG-CG 3.91Å; F153-P270 HydrophobicContact CZ-CB 4.35Å
154	Q	98.3	Very high	97	Very high	74 Å²	74	32.9 Å²	32.9	35%	0.346	18%	0.175	S	C	.	.	H	α-helix	trans	-62.6	-44.2	173.3	-172.9	60.5	59	0	0	111	T150 L156 D157 D158 P268	T150-Q154 VanDerWaalsContact O-CB 3.26Å; T150-Q154 WeakPolarHBondContact O-CB 3.2Å; T150-Q154 PolarHBondContact O-N 2.97Å; Q154-L156 VanDerWaalsContact C-N 3.28Å; Q154-L156 PolarHBondContact O-N 3.48Å; Q154-D157 WeakPolarHBondContact O-CB 3.5Å; Q154-D157 PolarHBondContact O-N 2.88Å; Q154-D158 PolarHBondContact NE2-OD1 3.42Å; Q154-D158 WeakPolarHBondContact O-CB 3.49Å; Q154-D158 PolarHBondContact O-N 2.9Å; Q154-P268 VanDerWaalsContact OE1-CG 3.29Å
155	R	97	Very high	96.7	Very high	90 Å²	90	33.2 Å²	33.2	34%	0.34	18%	0.181	S	C	.	.	H	α-helix	trans	-60.7	-40.4	176.8	179.4	58.8	-175	-164.6	1.6	112	L120 G151 C152 D158 E159 S165	L120-R155 HydrophobicContact CD1-CB 4.4Å; L120-R155 HydrophobicContact CD1-CG 4.05Å; L120-R155 HydrophobicContact CD2-CG 4.01Å; G151-R155 VanDerWaalsContact O-CB 3.28Å; G151-R155 WeakPolarHBondContact O-CB 3.26Å; G151-R155 PolarHBondContact O-N 2.78Å; C152-R155 PolarHBondContact O-N 2.79Å; R155-D158 PolarHBondContact O-N 2.67Å; R155-E159 IonicContact CZ-OE1 3.16Å; R155-E159 IonicContact NE-OE1 3.73Å; R155-E159 PolarHBondContact NE-OE1 3.21Å; R155-E159 IonicContact NH2-OE1 2.8Å; R155-E159 WeakPolarHBondContact O-CG 3.32Å; R155-E159 PolarHBondContact O-N 3.25Å; R155-S165 PolarHBondContact NH2-O 3.21Å
156	L	96.8	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-44.9	176.7	-172.2	60.8	0	0	0	111.1	Y112 C113 R116 L117 L120 C152 F153 Q154 E159 V160 I257	Y112-L156 HydrophobicContact CD1-CD1 3.67Å; Y112-L156 HydrophobicContact CE1-CD1 3.59Å; C113-L156 HydrophobicContact CB-CD2 4.28Å; R116-L156 HydrophobicContact CB-CD1 3.74Å; R116-L156 HydrophobicContact CG-CD1 3.72Å; L117-L156 HydrophobicContact CB-CD2 4.1Å; L117-L156 HydrophobicContact CD1-CD2 3.98Å; L117-L156 HydrophobicContact CG-CD2 4.42Å; L120-L156 HydrophobicContact CD1-CB 4.1Å; L120-L156 HydrophobicContact CD1-CD1 4.17Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 PolarHBondContact O-N 3.5Å; F153-L156 WeakPolarHBondContact O-CB 3.37Å; F153-L156 PolarHBondContact O-N 3.04Å; Q154-L156 VanDerWaalsContact C-N 3.28Å; Q154-L156 PolarHBondContact O-N 3.48Å; L156-E159 PolarHBondContact O-N 3.12Å; L156-V160 VanDerWaalsContact O-CG2 3.28Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 2.64Å; L156-I257 HydrophobicContact CD2-CD1 3.73Å; L156-I257 HydrophobicContact CG-CD1 4.45Å; L156-I257 HydrophobicContact CG-CG2 4.35Å
157	D	98.4	Very high	95.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-40.3	175.5	-174.2	70	0	0	0	113.1	F153 Q154 V160 S161 I257 G258 K263 P268	F153-D157 WeakPolarHBondContact O-CB 3.5Å; F153-D157 PolarHBondContact O-N 3.36Å; Q154-D157 WeakPolarHBondContact O-CB 3.5Å; Q154-D157 PolarHBondContact O-N 2.88Å; D157-V160 PolarHBondContact O-N 2.93Å; D157-S161 VanDerWaalsContact O-CB 3.28Å; D157-S161 WeakPolarHBondContact O-CB 3.43Å; D157-S161 PolarHBondContact O-N 2.92Å; D157-S161 PolarHBondContact O-OG 2.78Å; D157-I257 HydrophobicContact CB-CG2 4.34Å; D157-G258 PolarHBondContact OD1-N 2.97Å; D157-K263 IonicContact OD1-NZ 3.53Å; D157-K263 PolarHBondContact OD1-NZ 2.99Å; D157-K263 VanDerWaalsContact OD2-CE 3.24Å; D157-K263 WeakPolarHBondContact OD2-CE 3.31Å; D157-K263 IonicContact OD2-NZ 3.69Å; D157-K263 PolarHBondContact OD2-NZ 3.23Å; D157-P268 HydrophobicContact CB-CB 3.64Å; D157-P268 HydrophobicContact CB-CG 3.77Å
158	D	97.7	Very high	94.9	Very high	37 Å²	37	35.2 Å²	35.2	20%	0.198	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-42	176	-64.5	-17.1	0	0	0	111.1	Q154 R155 S161 G162 Q163 A164	Q154-D158 PolarHBondContact NE2-OD1 3.42Å; Q154-D158 WeakPolarHBondContact O-CB 3.49Å; Q154-D158 PolarHBondContact O-N 2.9Å; R155-D158 PolarHBondContact O-N 2.67Å; D158-S161 PolarHBondContact O-N 3.47Å; D158-G162 PolarHBondContact O-N 2.79Å; D158-G162 VanDerWaalsContact O-N 3.1Å; D158-Q163 HydrophobicContact CB-CB 4.29Å; D158-Q163 PolarHBondContact O-N 2.83Å; D158-A164 HydrophobicContact CB-CB 3.62Å; D158-A164 PolarHBondContact O-N 2.84Å
159	E	96.8	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-40.3	176.1	-74.5	-178.4	-177.8	0	0	111.6	Y112 R116 R155 L156 G162 A164 R166	Y112-E159 HydrophobicContact CE1-CB 4.05Å; Y112-E159 PolarHBondContact OH-OE2 3.07Å; R116-E159 WeakPolarHBondContact CG-OE2 3.24Å; R116-E159 IonicContact CZ-OE1 2.66Å; R116-E159 IonicContact CZ-OE2 3.09Å; R116-E159 IonicContact NE-OE1 3.53Å; R116-E159 IonicContact NE-OE2 3.91Å; R116-E159 PolarHBondContact NE-OE2 2.69Å; R116-E159 IonicContact NH2-OE1 3.86Å; R116-E159 PolarHBondContact NH2-OE1 2.87Å; R116-E159 IonicContact NH2-OE2 2.87Å; R155-E159 IonicContact CZ-OE1 3.16Å; R155-E159 IonicContact NE-OE1 3.73Å; R155-E159 PolarHBondContact NE-OE1 3.21Å; R155-E159 IonicContact NH2-OE1 2.8Å; R155-E159 WeakPolarHBondContact O-CG 3.32Å; R155-E159 PolarHBondContact O-N 3.25Å; L156-E159 PolarHBondContact O-N 3.12Å; E159-G162 PolarHBondContact O-N 2.94Å; E159-A164 HydrophobicContact CG-CB 4.02Å; E159-R166 HydrophobicContact CB-CB 4.38Å; E159-R166 HydrophobicContact CG-CB 4.09Å
160	V	97.2	Very high	93.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-42.9	175.2	166.6	0	0	0	0	111.2	V109 Y112 L156 D157 G162 P176 V177 I257	V109-V160 HydrophobicContact CG1-CG1 4.28Å; V109-V160 HydrophobicContact CG1-CG2 4.3Å; V109-V160 HydrophobicContact CG2-CG1 3.76Å; Y112-V160 HydrophobicContact CD1-CG2 3.44Å; Y112-V160 VanDerWaalsContact CD1-CG2 3.44Å; Y112-V160 HydrophobicContact CE1-CG2 3.91Å; Y112-V160 HydrophobicContact CG-CG2 4.3Å; L156-V160 VanDerWaalsContact O-CG2 3.28Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 2.64Å; D157-V160 PolarHBondContact O-N 2.93Å; V160-G162 VanDerWaalsContact C-N 3.27Å; V160-G162 PolarHBondContact O-N 2.74Å; V160-P176 CarbonylContact O-C 3.57Å; V160-P176 WeakPolarHBondContact O-CA 3.27Å; V160-V177 PolarHBondContact O-N 3.31Å; V160-I257 HydrophobicContact CG2-CG2 4.23Å
161	S	96.2	Very high	92.6	Very high	13 Å²	13	45.4 Å²	45.4	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-77.7	-9.6	-178.4	-60.9	0	0	0	0	113.8	D157 D158 Q163	D157-S161 VanDerWaalsContact O-CB 3.28Å; D157-S161 WeakPolarHBondContact O-CB 3.43Å; D157-S161 PolarHBondContact O-N 2.92Å; D157-S161 PolarHBondContact O-OG 2.78Å; D158-S161 PolarHBondContact O-N 3.47Å; S161-Q163 VanDerWaalsContact C-N 3.28Å
162	G	95.5	Very high	92.1	Very high	22 Å²	22	50.1 Å²	50.1	23%	0.227	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	13.8	-174.5	0	0	0	0	0	114.2	D158 E159 V160 S174	D158-G162 PolarHBondContact O-N 2.79Å; D158-G162 VanDerWaalsContact O-N 3.1Å; E159-G162 PolarHBondContact O-N 2.94Å; V160-G162 VanDerWaalsContact C-N 3.27Å; V160-G162 PolarHBondContact O-N 2.74Å; G162-S174 VanDerWaalsContact CA-O 3.3Å; G162-S174 WeakPolarHBondContact CA-O 3.28Å
163	Q	94	Very high	91.7	Very high	150 Å²	150	52.6 Å²	52.6	70%	0.701	31%	0.308	S	S	*	.	S	Bend	trans	-80.4	-25.6	174.2	-67.6	-172.2	-29.7	0	0	112.1	D158 S161	D158-Q163 HydrophobicContact CB-CB 4.29Å; D158-Q163 PolarHBondContact O-N 2.83Å; S161-Q163 VanDerWaalsContact C-N 3.28Å
164	A	93.3	Very high	91.2	Very high	8 Å²	8	56.5 Å²	56.5	7%	0.066	34%	0.335	C	S	.	.	S	Bend	trans	-116.8	142.7	170.3	0	0	0	0	0	110.8	D158 E159	D158-A164 HydrophobicContact CB-CB 3.62Å; D158-A164 PolarHBondContact O-N 2.84Å; E159-A164 HydrophobicContact CG-CB 4.02Å
165	S	90.3	Very high	91	Very high	40 Å²	40	60.6 Å²	60.6	28%	0.28	35%	0.348	S	S	.	.			trans	-71.6	140.4	170.9	64.2	0	0	0	0	111.1	R155 Q172 E173	R155-S165 PolarHBondContact NH2-O 3.21Å; S165-Q172 VanDerWaalsContact CB-NE2 3.27Å; S165-Q172 PolarHBondContact OG-NE2 2.84Å; S165-E173 WeakPolarHBondContact CA-O 3.28Å
166	R	90.4	Very high	91	Very high	17 Å²	17	59 Å²	59	6%	0.064	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160.6	169.7	66.8	-179.7	179.6	-73.6	1	110.6	Y112 E159 V168 Q172 E173 R175 V177	Y112-R166 WeakPolarHBondContact OH-CB 3.32Å; Y112-R166 WeakPolarHBondContact OH-CD 3.3Å; E159-R166 HydrophobicContact CB-CB 4.38Å; E159-R166 HydrophobicContact CG-CB 4.09Å; R166-V168 HydrophobicContact CG-CG2 4.14Å; R166-Q172 WeakPolarHBondContact O-CA 3.42Å; R166-E173 HydrophobicContact CG-CB 4.21Å; R166-E173 PolarHBondContact N-O 3.21Å; R166-E173 PolarHBondContact O-N 3.47Å; R166-R175 PolarHBondContact NH1-O 3.36Å; R166-R175 PolarHBondContact NH2-O 2.94Å; R166-V177 VanDerWaalsContact CZ-CG2 3.49Å
167	L	84.6	Confident	90.9	Very high	116 Å²	116	60.7 Å²	60.7	61%	0.607	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	121	170	-69.8	171	0	0	0	109.3	Q172	L167-Q172 HydrophobicContact CD2-CB 4.37Å
168	V	79.9	Confident	90.8	Very high	76 Å²	76	61.2 Å²	61.2	46%	0.461	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	100.7	168.7	-177.5	0	0	0	0	106.9	R166 A170 V171 E173	R166-V168 HydrophobicContact CG-CG2 4.14Å; V168-A170 PolarHBondContact O-N 2.68Å; V168-V171 PolarHBondContact N-O 2.79Å; V168-V171 PolarHBondContact O-N 3.49Å; V168-V171 VanDerWaalsContact O-N 3.13Å; V168-E173 HydrophobicContact CB-CG 4.18Å; V168-E173 HydrophobicContact CG2-CB 4.09Å; V168-E173 HydrophobicContact CG2-CG 3.93Å
169	G	78.3	Confident	90.9	Very high	75 Å²	75	62 Å²	62	77%	0.773	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	-121.7	-165.6	0	0	0	0	0	110.8
170	A	80.4	Confident	90.9	Very high	104 Å²	104	67.2 Å²	67.2	86%	0.86	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	4.6	176.3	0	0	0	0	0	113.5	V168	V168-A170 PolarHBondContact O-N 2.68Å
171	V	86.1	Confident	90.9	Very high	92 Å²	92	70.9 Å²	70.9	56%	0.558	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.8	-175	-175.4	0	0	0	0	110	V168	V168-V171 PolarHBondContact N-O 2.79Å; V168-V171 PolarHBondContact O-N 3.49Å; V168-V171 VanDerWaalsContact O-N 3.13Å
172	Q	87.3	Confident	91	Very high	136 Å²	136	70.5 Å²	70.5	64%	0.636	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	120.8	172.6	-170	173.4	13.6	0	0	109.5	S165 R166 L167	S165-Q172 VanDerWaalsContact CB-NE2 3.27Å; S165-Q172 PolarHBondContact OG-NE2 2.84Å; R166-Q172 WeakPolarHBondContact O-CA 3.42Å; L167-Q172 HydrophobicContact CD2-CB 4.37Å
173	E	88.3	Confident	91.2	Very high	52 Å²	52	69.5 Å²	69.5	24%	0.243	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.8	-178.3	-78	-82	-157	0	0	109.7	S165 R166 V168 R175	S165-E173 WeakPolarHBondContact CA-O 3.28Å; R166-E173 HydrophobicContact CG-CB 4.21Å; R166-E173 PolarHBondContact N-O 3.21Å; R166-E173 PolarHBondContact O-N 3.47Å; V168-E173 HydrophobicContact CB-CG 4.18Å; V168-E173 HydrophobicContact CG2-CB 4.09Å; V168-E173 HydrophobicContact CG2-CG 3.93Å; E173-R175 IonicContact OE1-NE 3.57Å; E173-R175 IonicContact OE2-NE 2.83Å
174	S	89.4	Confident	91.4	Very high	82 Å²	82	62.3 Å²	62.3	57%	0.573	37%	0.372	S	S	*	.			trans	-116.4	-2.1	177	63.8	0	0	0	0	113.2	G162	G162-S174 VanDerWaalsContact CA-O 3.3Å; G162-S174 WeakPolarHBondContact CA-O 3.28Å
175	R	93.7	Very high	91.7	Very high	160 Å²	160	62 Å²	62	60%	0.604	37%	0.369	S	S	*	.	S	Bend	trans	-68.9	143.7	175.2	66.5	-173.4	177.8	117	-2.1	110.4	R166 E173	R166-R175 PolarHBondContact NH1-O 3.36Å; R166-R175 PolarHBondContact NH2-O 2.94Å; E173-R175 IonicContact OE1-NE 3.57Å; E173-R175 IonicContact OE2-NE 2.83Å
176	P	95.9	Very high	92.1	Very high	56 Å²	56	60 Å²	60	36%	0.364	36%	0.356	S	S	.	.			trans	-53.5	144.9	173.7	-22.8	31.5	0	0	0	111.9	V160	V160-P176 CarbonylContact O-C 3.57Å; V160-P176 WeakPolarHBondContact O-CA 3.27Å
177	V	96.2	Very high	92.5	Very high	36 Å²	36	59.2 Å²	59.2	22%	0.218	35%	0.353	C	S	.	.	S	Bend	trans	-69.4	-37.9	178.1	173.4	0	0	0	0	110.7	Y112 V160 R166	Y112-V177 HydrophobicContact CD1-CG2 4.33Å; Y112-V177 HydrophobicContact CD2-CG1 4.01Å; Y112-V177 HydrophobicContact CD2-CG2 3.95Å; Y112-V177 HydrophobicContact CE1-CG2 4.27Å; Y112-V177 HydrophobicContact CE2-CG2 3.91Å; Y112-V177 HydrophobicContact CG-CG1 4.01Å; Y112-V177 HydrophobicContact CG-CG2 4.18Å; V160-V177 PolarHBondContact O-N 3.31Å; R166-V177 VanDerWaalsContact CZ-CG2 3.49Å
178	A	96.6	Very high	93.2	Very high	12 Å²	12	53.7 Å²	53.7	10%	0.099	32%	0.324	C	S	.	.	S	Bend	trans	-138.7	171.4	-175.7	0	0	0	0	0	112.2	E108 V109 V182 R260	E108-A178 HydrophobicContact CB-CB 3.89Å; V109-A178 HydrophobicContact CG2-CB 3.79Å; A178-V182 HydrophobicContact CB-CB 3.72Å; A178-V182 HydrophobicContact CB-CG1 4.02Å; A178-V182 HydrophobicContact CB-CG2 4.02Å; A178-R260 PolarHBondContact O-NH1 2.81Å; A178-R260 PolarHBondContact O-NH2 2.88Å
179	A	97.9	Very high	94.1	Very high	54 Å²	54	50.1 Å²	50.1	45%	0.446	30%	0.302	S	S	.	.			trans	-61.9	164.8	171.2	0	0	0	0	0	111.2	N181 V182	A179-N181 WeakPolarHBondContact CB-OD1 3.12Å; A179-N181 PolarHBondContact O-N 2.85Å; A179-V182 HydrophobicContact CB-CG2 3.98Å; A179-V182 PolarHBondContact O-N 2.88Å
180	E	97.5	Very high	95	Very high	108 Å²	108	46.6 Å²	46.6	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-22	-169.5	64	-179.3	-176	0	0	114.6	D259 R260 Y261	E180-D259 CarbonylContact O-C 3.34Å; E180-R260 VanDerWaalsContact CA-CZ 3.42Å; E180-R260 HydrophobicContact CB-CG 3.55Å; E180-R260 VanDerWaalsContact CB-NE 3.3Å; E180-R260 PolarHBondContact O-N 2.75Å; E180-R260 VanDerWaalsContact O-N 3.13Å; E180-Y261 WeakPolarHBondContact O-CD1 2.93Å; E180-Y261 PolarHBondContact O-N 2.99Å
181	N	97.9	Very high	95.8	Very high	80 Å²	80	41.8 Å²	41.8	43%	0.428	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.7	-179.1	67.5	-51	0	0	0	113.5	A179 Y261	A179-N181 WeakPolarHBondContact CB-OD1 3.12Å; A179-N181 PolarHBondContact O-N 2.85Å; N181-Y261 HydrophobicContact CB-CD1 4.21Å; N181-Y261 HydrophobicContact CB-CE1 4.02Å
182	V	98.6	Very high	96.2	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	20%	0.2	C	C	.	.			trans	-98.3	134	173.3	-169.1	0	0	0	0	108.3	H104 G105 G106 V109 A178 A179 D259	H104-V182 WeakPolarHBondContact O-CA 3.39Å; G105-V182 WeakPolarHBondContact O-CG2 3.29Å; G106-V182 WeakPolarHBondContact O-CG1 3.37Å; V109-V182 HydrophobicContact CB-CG1 4.35Å; V109-V182 HydrophobicContact CG2-CB 4.14Å; V109-V182 HydrophobicContact CG2-CG1 3.74Å; A178-V182 HydrophobicContact CB-CB 3.72Å; A178-V182 HydrophobicContact CB-CG1 4.02Å; A178-V182 HydrophobicContact CB-CG2 4.02Å; A179-V182 HydrophobicContact CB-CG2 3.98Å; A179-V182 PolarHBondContact O-N 2.88Å; V182-D259 PolarHBondContact O-N 3.23Å; V182-D259 VanDerWaalsContact O-N 3.1Å
183	G	98.7	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	178.9	176.4	0	0	0	0	0	111.8	H104 I257	H104-G183 PolarHBondContact N-O 2.97Å; H104-G183 WeakPolarHBondContact NE2-CA 3.48Å; H104-G183 PolarHBondContact O-N 2.8Å; H104-G183 VanDerWaalsContact O-N 3.08Å; G183-I257 CarbonylContact C-O 3.6Å; G183-I257 WeakPolarHBondContact CA-O 3.26Å
184	S	98.8	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	148.7	171.1	-172.6	0	0	0	0	111	D102 A110 I257	D102-S184 VanDerWaalsContact C-OG 3.29Å; D102-S184 PolarHBondContact N-OG 3.35Å; D102-S184 CarbonylContact O-C 3.59Å; D102-S184 WeakPolarHBondContact O-CA 3.49Å; D102-S184 WeakPolarHBondContact O-CB 3.25Å; D102-S184 PolarHBondContact O-OG 3.24Å; A110-S184 WeakPolarHBondContact CA-OG 3.42Å; A110-S184 WeakPolarHBondContact CB-OG 3.19Å; S184-I257 PolarHBondContact N-O 3.31Å; S184-I257 PolarHBondContact O-N 3.15Å
185	T	98.8	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.			trans	-68.1	166.5	162	77.2	0	0	0	0	110.5	F101 D102 C201 D203 S204 M253	F101-T185 WeakPolarHBondContact CA-O 3.45Å; D102-T185 HydrophobicContact CB-CG2 3.87Å; D102-T185 WeakPolarHBondContact CB-OG1 3.35Å; D102-T185 PolarHBondContact N-OG1 3.39Å; D102-T185 PolarHBondContact O-N 2.84Å; T185-C201 CarbonylContact C-O 3.56Å; T185-C201 VanDerWaalsContact CA-O 3.29Å; T185-C201 WeakPolarHBondContact CA-O 3.2Å; T185-D203 WeakPolarHBondContact CG2-OD1 3.48Å; T185-S204 PolarHBondContact OG1-OG 3.1Å; T185-M253 HydrophobicContact CG2-CE 3.59Å
186	A	98.9	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	113.2	163.7	0	0	0	0	0	110.1	F101 F153 N200 C201 I257	F101-A186 HydrophobicContact CD1-CB 3.77Å; F101-A186 HydrophobicContact CE1-CB 3.93Å; F153-A186 HydrophobicContact CE2-CB 3.74Å; F153-A186 HydrophobicContact CZ-CB 4Å; A186-N200 CarbonylContact O-C 3.39Å; A186-N200 WeakPolarHBondContact O-CA 3.13Å; A186-C201 PolarHBondContact N-O 3.32Å; A186-C201 PolarHBondContact O-N 3.29Å; A186-I257 HydrophobicContact CB-CD1 3.72Å
187	V	98.9	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.1	163.6	64.4	0	0	0	0	108.7	G99 V100 V198 N200 A206 L286	G99-V187 CarbonylContact C-O 3.55Å; G99-V187 VanDerWaalsContact CA-O 3.3Å; G99-V187 WeakPolarHBondContact CA-O 3.23Å; V100-V187 HydrophobicContact CB-CG1 3.86Å; V100-V187 PolarHBondContact N-O 3.47Å; V100-V187 PolarHBondContact O-N 3.4Å; V187-V198 HydrophobicContact CG2-CG1 4.24Å; V187-N200 HydrophobicContact CG2-CB 4.49Å; V187-A206 HydrophobicContact CG2-CB 3.76Å; V187-L286 HydrophobicContact CG1-CB 4.47Å; V187-L286 HydrophobicContact CG1-CD2 4.46Å
188	V	98.8	Very high	97.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.4	-174.6	179.8	0	0	0	0	109.7	L97 F98 F101 L117 F149 F153 V198 A199	L97-V188 HydrophobicContact CD1-CG1 3.84Å; L97-V188 HydrophobicContact CD2-CG1 4.38Å; L97-V188 HydrophobicContact CG-CG1 3.89Å; F98-V188 CarbonylContact O-C 3.58Å; F98-V188 VanDerWaalsContact O-CA 3.32Å; F98-V188 WeakPolarHBondContact O-CA 3.33Å; F101-V188 HydrophobicContact CE1-CG2 4.04Å; F101-V188 HydrophobicContact CZ-CG2 4.34Å; L117-V188 HydrophobicContact CD1-CG2 3.79Å; L117-V188 HydrophobicContact CD2-CG1 4.06Å; L117-V188 HydrophobicContact CD2-CG2 3.98Å; F149-V188 HydrophobicContact CE1-CG1 4.43Å; F153-V188 HydrophobicContact CZ-CG2 4.2Å; V188-V198 CarbonylContact O-C 3.58Å; V188-V198 VanDerWaalsContact O-CA 3.24Å; V188-V198 WeakPolarHBondContact O-CA 3.31Å; V188-A199 PolarHBondContact N-O 3.01Å; V188-A199 PolarHBondContact O-N 3.48Å
189	A	98.7	Very high	97.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.4	172.6	0	0	0	0	0	111	L97 F98 V191 V197 V198 L284 L286	L97-A189 WeakPolarHBondContact CA-O 3.12Å; F98-A189 PolarHBondContact N-O 3.36Å; F98-A189 PolarHBondContact O-N 2.87Å; A189-V191 HydrophobicContact CB-CG2 4.43Å; A189-V197 CarbonylContact C-O 3.59Å; A189-V197 VanDerWaalsContact CA-O 3.3Å; A189-V197 WeakPolarHBondContact CA-O 3.24Å; A189-V198 HydrophobicContact CB-CG2 4.19Å; A189-L284 HydrophobicContact CB-CD2 3.75Å; A189-L286 HydrophobicContact CB-CD1 3.96Å; A189-L286 HydrophobicContact CB-CD2 3.9Å; A189-L286 HydrophobicContact CB-CG 4.44Å
190	V	98.1	Very high	97.7	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.012	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.7	166.4	174.9	0	0	0	0	107.8	F67 V70 A95 H96 L97 L121 F149 V197	F67-V190 HydrophobicContact CE1-CG1 4.09Å; F67-V190 HydrophobicContact CE1-CG2 4.22Å; F67-V190 HydrophobicContact CZ-CG1 4.35Å; F67-V190 HydrophobicContact CZ-CG2 4.01Å; V70-V190 HydrophobicContact CG2-CG1 4.17Å; A95-V190 HydrophobicContact CB-CG1 3.8Å; H96-V190 CarbonylContact O-C 3.48Å; H96-V190 WeakPolarHBondContact O-CA 3.39Å; L97-V190 HydrophobicContact CD1-CG2 4.5Å; L121-V190 HydrophobicContact CD2-CG2 3.93Å; F149-V190 HydrophobicContact CZ-CG2 3.93Å; V190-V197 HydrophobicContact CB-CB 4.31Å; V190-V197 PolarHBondContact N-O 2.88Å; V190-V197 PolarHBondContact O-N 2.71Å
191	V	97.1	Very high	97.8	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.018	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.7	-177.7	-177.5	0	0	0	0	109.1	A95 H96 F98 A189 V196 L284 L360	A95-V191 WeakPolarHBondContact CA-O 3.4Å; H96-V191 PolarHBondContact CD2-O 2.93Å; H96-V191 PolarHBondContact N-O 3.35Å; H96-V191 PolarHBondContact O-N 2.95Å; F98-V191 HydrophobicContact CD2-CG2 3.91Å; F98-V191 HydrophobicContact CE2-CB 4.17Å; F98-V191 HydrophobicContact CE2-CG2 3.94Å; A189-V191 HydrophobicContact CB-CG2 4.43Å; V191-V196 HydrophobicContact CG1-CG2 4.43Å; V191-V196 HydrophobicContact CG2-CG1 4.43Å; V191-V196 HydrophobicContact CG2-CG2 4.42Å; V191-L284 HydrophobicContact CG2-CD2 3.96Å; V191-L360 HydrophobicContact CG1-CD2 4Å
192	C	94.8	Very high	97.8	Very high	4 Å²	4	2.7 Å²	2.7	3%	0.027	2%	0.016	C	C	.	.			trans	-131.4	-177.6	170.9	67.3	0	0	0	0	110.1	L93 A95 S194 H195 R277	L93-C192 HydrophobicContact CD2-CB 3.54Å; L93-C192 VanDerWaalsContact CD2-SG 3.51Å; L93-C192 HydrophobicContact CG-CB 4.01Å; A95-C192 HydrophobicContact CB-CB 4.25Å; C192-S194 PolarHBondContact O-N 2.8Å; C192-H195 PolarHBondContact N-O 2.77Å; C192-H195 PolarHBondContact SG-N 2.83Å; C192-H195 PolarHBondContact SG-O 2.83Å; C192-R277 WeakPolarHBondContact O-CD 3.3Å; C192-R277 PolarHBondContact O-NH1 2.93Å
193	S	93.8	Very high	97.8	Very high	15 Å²	15	2.5 Å²	2.5	11%	0.105	2%	0.015	C	C	.	.	S	Bend	trans	-60.3	-29.7	-179.4	65.7	0	0	0	0	113.5	V36 M39 L93	V36-S193 WeakPolarHBondContact O-CB 3.35Å; V36-S193 PolarHBondContact O-OG 2.79Å; M39-S193 WeakPolarHBondContact O-CB 3.5Å; L93-S193 WeakPolarHBondContact CD1-OG 3.13Å; L93-S193 VanDerWaalsContact CD2-OG 3.29Å; L93-S193 WeakPolarHBondContact CD2-OG 3.12Å
194	S	93.8	Very high	97.8	Very high	4 Å²	4	2.5 Å²	2.5	3%	0.028	2%	0.015	C	C	.	.	S	Bend	trans	-108.3	-30	-170.2	63.2	0	0	0	0	114.4	C192 R277	C192-S194 PolarHBondContact O-N 2.8Å; S194-R277 WeakPolarHBondContact O-CB 3.26Å; S194-R277 PolarHBondContact O-N 3.28Å
195	H	96.8	Very high	97.8	Very high	17 Å²	17	4.3 Å²	4.3	8%	0.079	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.2	-171.9	-68.1	78.4	0	0	0	112.2	L75 C192 V275	L75-H195 HydrophobicContact CD2-CB 3.93Å; L75-H195 PolarHBondContact O-CE1 3.37Å; L75-H195 VanDerWaalsContact O-CE1 3.29Å; C192-H195 PolarHBondContact N-O 2.77Å; C192-H195 PolarHBondContact SG-N 2.83Å; C192-H195 PolarHBondContact SG-O 2.83Å; H195-V275 WeakPolarHBondContact CA-O 3.33Å
196	V	97.6	Very high	97.8	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.012	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	162.5	178.5	0	0	0	0	107.1	V191 V198 L217 V275 R277 L284 L360	V191-V196 HydrophobicContact CG1-CG2 4.43Å; V191-V196 HydrophobicContact CG2-CG1 4.43Å; V191-V196 HydrophobicContact CG2-CG2 4.42Å; V196-V198 HydrophobicContact CG1-CG2 4.07Å; V196-L217 HydrophobicContact CG1-CD1 3.9Å; V196-V275 PolarHBondContact N-O 2.79Å; V196-V275 PolarHBondContact O-N 3.25Å; V196-R277 HydrophobicContact CG2-CG 3.98Å; V196-L284 HydrophobicContact CG1-CD2 3.88Å; V196-L360 HydrophobicContact CG2-CD1 4.49Å
197	V	98.4	Very high	97.8	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.012	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.4	174	-174.5	0	0	0	0	108.3	W145 F149 A189 V190 V272 T273 V274	W145-V197 HydrophobicContact CD2-CG1 3.96Å; W145-V197 HydrophobicContact CD2-CG2 4.26Å; W145-V197 HydrophobicContact CE3-CG1 3.91Å; W145-V197 HydrophobicContact CG-CG1 4.36Å; W145-V197 HydrophobicContact CH2-CG2 4.24Å; W145-V197 HydrophobicContact CZ2-CG2 3.87Å; W145-V197 HydrophobicContact CZ3-CG1 4.33Å; F149-V197 HydrophobicContact CE2-CG1 3.69Å; F149-V197 HydrophobicContact CZ-CG1 4.47Å; A189-V197 CarbonylContact C-O 3.59Å; A189-V197 VanDerWaalsContact CA-O 3.3Å; A189-V197 WeakPolarHBondContact CA-O 3.24Å; V190-V197 HydrophobicContact CB-CB 4.31Å; V190-V197 PolarHBondContact N-O 2.88Å; V190-V197 PolarHBondContact O-N 2.71Å; V197-V272 HydrophobicContact CG1-CG1 3.65Å; V197-T273 CarbonylContact C-O 3.6Å; V197-T273 WeakPolarHBondContact CA-O 3.48Å; V197-V274 HydrophobicContact CG1-CG2 3.92Å; V197-V274 HydrophobicContact CG2-CG1 4.18Å; V197-V274 HydrophobicContact CG2-CG2 4.21Å
198	V	98.8	Very high	97.8	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.006	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.9	178.6	173.7	0	0	0	0	109.4	V187 V188 A189 V196 A206 L217 V272 T273	V187-V198 HydrophobicContact CG2-CG1 4.24Å; V188-V198 CarbonylContact O-C 3.58Å; V188-V198 VanDerWaalsContact O-CA 3.24Å; V188-V198 WeakPolarHBondContact O-CA 3.31Å; A189-V198 HydrophobicContact CB-CG2 4.19Å; V196-V198 HydrophobicContact CG1-CG2 4.07Å; V198-A206 HydrophobicContact CG1-CB 3.74Å; V198-A206 HydrophobicContact CG2-CB 4.04Å; V198-L217 HydrophobicContact CB-CB 4.12Å; V198-L217 HydrophobicContact CG1-CB 4.39Å; V198-L217 HydrophobicContact CG2-CB 3.73Å; V198-L217 HydrophobicContact CG2-CD1 3.64Å; V198-L217 HydrophobicContact CG2-CG 4.37Å; V198-V272 CarbonylContact O-C 3.44Å; V198-V272 WeakPolarHBondContact O-CA 3.46Å; V198-V272 WeakPolarHBondContact O-CG1 3.48Å; V198-T273 PolarHBondContact N-O 2.88Å; V198-T273 PolarHBondContact O-N 3.47Å
199	A	98.8	Very high	97.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.9	166.9	0	0	0	0	0	108.8	F149 F153 V188 P270 E271 V272	F149-A199 HydrophobicContact CB-CB 4.03Å; F149-A199 HydrophobicContact CD1-CB 3.35Å; F149-A199 HydrophobicContact CD2-CB 3.89Å; F149-A199 HydrophobicContact CE1-CB 3.62Å; F149-A199 HydrophobicContact CE2-CB 4.13Å; F149-A199 HydrophobicContact CG-CB 3.49Å; F149-A199 VanDerWaalsContact CG-CB 3.49Å; F149-A199 HydrophobicContact CZ-CB 4Å; F153-A199 HydrophobicContact CE1-CB 4.45Å; F153-A199 HydrophobicContact CZ-CB 4.14Å; V188-A199 PolarHBondContact N-O 3.01Å; V188-A199 PolarHBondContact O-N 3.48Å; A199-P270 HydrophobicContact CB-CB 4.25Å; A199-E271 WeakPolarHBondContact CA-O 3.19Å; A199-V272 HydrophobicContact CB-CG2 4.21Å
200	N	98.9	Very high	97.8	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.8	179.7	-178.1	45.8	0	0	0	111.2	A186 V187 G202 S204 I219 H221 P270 E271	A186-N200 CarbonylContact O-C 3.39Å; A186-N200 WeakPolarHBondContact O-CA 3.13Å; V187-N200 HydrophobicContact CG2-CB 4.49Å; N200-G202 PolarHBondContact ND2-O 3.41Å; N200-S204 PolarHBondContact OD1-O 3.19Å; N200-S204 VanDerWaalsContact OD1-O 3.13Å; N200-I219 PolarHBondContact ND2-O 2.81Å; N200-H221 PolarHBondContact O-CE1 2.97Å; N200-P270 CarbonylContact O-C 3.5Å; N200-P270 WeakPolarHBondContact O-CA 3.46Å; N200-P270 WeakPolarHBondContact O-CB 3.27Å; N200-E271 PolarHBondContact N-O 2.97Å; N200-E271 PolarHBondContact O-N 2.81Å
201	C	98.9	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	78.3	169.9	-174.5	0	0	0	0	109.4	F153 T185 A186 P270	F153-C201 HydrophobicContact CD2-CB 3.67Å; F153-C201 HydrophobicContact CE2-CB 3.53Å; T185-C201 CarbonylContact C-O 3.56Å; T185-C201 VanDerWaalsContact CA-O 3.29Å; T185-C201 WeakPolarHBondContact CA-O 3.2Å; A186-C201 PolarHBondContact N-O 3.32Å; A186-C201 PolarHBondContact O-N 3.29Å; C201-P270 HydrophobicContact CB-CB 4.36Å
202	G	98.7	Very high	97.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	153.7	-154.2	174.6	0	0	0	0	0	110.1	N200 H221 R255	N200-G202 PolarHBondContact ND2-O 3.41Å; G202-H221 PolarHBondContact N-ND1 3.01Å; G202-H221 VanDerWaalsContact N-ND1 3.19Å; G202-H221 PolarHBondContact O-N 2.98Å; G202-R255 WeakPolarHBondContact CA-O 3.35Å
203	D	98.6	Very high	97.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.104	C	C	.	.	S	Bend	trans	-113.3	7.4	176.6	54.1	0.1	0	0	0	114.1	T185 D220 K222 M253	T185-D203 WeakPolarHBondContact CG2-OD1 3.48Å; D203-D220 HydrophobicContact CB-CB 4.06Å; D203-K222 HydrophobicContact CB-CD 3.99Å; D203-K222 VanDerWaalsContact CB-CE 3.47Å; D203-K222 VanDerWaalsContact CB-NZ 3.33Å; D203-K222 IonicContact OD2-NZ 2.71Å; D203-K222 PolarHBondContact OD2-NZ 2.92Å; D203-M253 VanDerWaalsContact CG-CE 3.48Å; D203-M253 WeakPolarHBondContact OD1-CE 3.47Å; D203-M253 WeakPolarHBondContact OD2-CE 3.48Å
204	S	98.7	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.			trans	-63.2	154.2	152.4	-51.3	0	0	0	0	110	D102 T185 N200 A287	D102-S204 WeakPolarHBondContact CB-OG 3.24Å; T185-S204 PolarHBondContact OG1-OG 3.1Å; N200-S204 PolarHBondContact OD1-O 3.19Å; N200-S204 VanDerWaalsContact OD1-O 3.13Å; S204-A287 WeakPolarHBondContact CA-O 3.22Å; S204-A287 WeakPolarHBondContact CB-O 3.28Å
205	R	98.9	Very high	98.1	Very high	38 Å²	38	24 Å²	24	14%	0.143	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.4	-169.1	-159	-174.4	-61.5	147	5.5	113.4	V207 S218 D220 L286 A287 W292 N297	R205-V207 HydrophobicContact CG-CG2 4.14Å; R205-S218 WeakPolarHBondContact CA-OG 3.31Å; R205-S218 WeakPolarHBondContact CG-OG 3.41Å; R205-D220 IonicContact CZ-OD1 3.94Å; R205-D220 IonicContact CZ-OD2 3.79Å; R205-D220 IonicContact NE-OD1 3.22Å; R205-D220 PolarHBondContact NE-OD1 3.01Å; R205-D220 IonicContact NE-OD2 2.79Å; R205-D220 IonicContact NH2-OD1 2.7Å; R205-D220 PolarHBondContact NH2-OD1 3.41Å; R205-D220 IonicContact NH2-OD2 2.78Å; R205-D220 PolarHBondContact NH2-OD2 2.88Å; R205-L286 WeakPolarHBondContact O-CA 3.18Å; R205-A287 PolarHBondContact N-O 3.01Å; R205-A287 PolarHBondContact O-N 2.86Å; R205-W292 HydrophobicContact CB-CD2 4.25Å; R205-W292 HydrophobicContact CB-CG 4.19Å; R205-W292 HydrophobicContact CB-CZ2 4.38Å; R205-W292 PolarHBondContact O-NE1 3.3Å; R205-N297 PolarHBondContact NH1-OD1 2.9Å
206	A	98.9	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.8	169.2	0	0	0	0	0	110.8	V187 V198 L217 S218 I285 L286	V187-A206 HydrophobicContact CG2-CB 3.76Å; V198-A206 HydrophobicContact CG1-CB 3.74Å; V198-A206 HydrophobicContact CG2-CB 4.04Å; A206-L217 HydrophobicContact CB-CB 4.26Å; A206-L217 PolarHBondContact O-N 2.97Å; A206-S218 PolarHBondContact N-OG 3.42Å; A206-I285 CarbonylContact C-O 3.42Å; A206-I285 VanDerWaalsContact CA-O 3.31Å; A206-I285 WeakPolarHBondContact CA-O 3.29Å; A206-L286 HydrophobicContact CB-CG 4.19Å
207	V	98.9	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	-180	-175.1	0	0	0	0	109.7	R205 P214 I285 W292 N297	R205-V207 HydrophobicContact CG-CG2 4.14Å; V207-P214 HydrophobicContact CG1-CB 3.78Å; V207-I285 PolarHBondContact N-O 3.48Å; V207-I285 PolarHBondContact O-N 3.4Å; V207-W292 HydrophobicContact CB-CH2 4.07Å; V207-W292 HydrophobicContact CG2-CH2 3.64Å; V207-W292 HydrophobicContact CG2-CZ2 4.09Å; V207-W292 HydrophobicContact CG2-CZ3 4.03Å; V207-N297 HydrophobicContact CG1-CB 4.21Å; V207-N297 HydrophobicContact CG2-CB 4.43Å
208	L	98.7	Very high	98.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.8	172.7	171.8	66.4	0	0	0	109.7	R210 P214 V215 L217 D281 L284 L360	L208-R210 HydrophobicContact CD2-CB 4.29Å; L208-R210 HydrophobicContact CG-CB 4.27Å; L208-P214 CarbonylContact O-C 3.5Å; L208-V215 HydrophobicContact CB-CB 4.28Å; L208-V215 PolarHBondContact N-O 3.34Å; L208-V215 PolarHBondContact O-N 3.48Å; L208-L217 HydrophobicContact CB-CD1 3.9Å; L208-L217 HydrophobicContact CB-CD2 4.13Å; L208-L217 HydrophobicContact CB-CG 3.92Å; L208-L217 HydrophobicContact CD2-CD2 4.48Å; L208-D281 HydrophobicContact CD1-CB 4.36Å; L208-L284 HydrophobicContact CB-CD1 4.45Å; L208-L360 HydrophobicContact CD1-CD1 3.48Å; L208-L360 VanDerWaalsContact CD1-CD1 3.48Å
209	C	98.4	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.2	165.5	-171.4	0	0	0	0	109	E213 D282 C283 C301 R305	C209-E213 CarbonylContact C-O 3.51Å; C209-E213 WeakPolarHBondContact CA-O 3.35Å; C209-D282 HydrophobicContact CB-CB 4.09Å; C209-D282 PolarHBondContact O-N 2.82Å; C209-C283 PolarHBondContact N-O 2.86Å; C209-C301 HydrophobicContact CB-CB 3.85Å; C209-R305 PolarHBondContact SG-NH1 2.86Å; C209-R305 VanDerWaalsContact SG-NH1 3.38Å
210	R	97.6	Very high	98.2	Very high	61 Å²	61	34.4 Å²	34.4	23%	0.23	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.7	178.1	175.9	171.6	-69.3	-178.8	-5.4	109.7	L208 K212 E213 V215 P276 D280 D281	L208-R210 HydrophobicContact CD2-CB 4.29Å; L208-R210 HydrophobicContact CG-CB 4.27Å; R210-K212 PolarHBondContact O-N 2.82Å; R210-K212 VanDerWaalsContact O-N 3.09Å; R210-E213 PolarHBondContact N-O 3.08Å; R210-E213 PolarHBondContact O-N 3.41Å; R210-E213 VanDerWaalsContact O-O 3.12Å; R210-V215 HydrophobicContact CB-CG2 4.01Å; R210-P276 PolarHBondContact NH2-O 3Å; R210-D280 VanDerWaalsContact CG-OD2 3.26Å; R210-D280 WeakPolarHBondContact CG-OD2 3.48Å; R210-D281 IonicContact CZ-OD1 2.87Å; R210-D281 IonicContact NE-OD1 3.63Å; R210-D281 PolarHBondContact NE-OD1 2.89Å; R210-D281 IonicContact NH2-OD1 3.14Å; R210-D281 PolarHBondContact NH2-OD1 2.93Å; R210-D281 IonicContact NH2-OD2 2.8Å; R210-D281 PolarHBondContact NH2-OD2 3.45Å
211	G	95.5	Very high	98.2	Very high	38 Å²	38	34.3 Å²	34.3	39%	0.392	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	26.6	178.6	0	0	0	0	0	113.2	E213 D280	G211-E213 VanDerWaalsContact C-N 3.29Å; G211-E213 PolarHBondContact O-N 3.37Å; G211-D280 PolarHBondContact N-O 3.19Å; G211-D280 PolarHBondContact N-OD2 3.21Å
212	K	95.4	Very high	98.2	Very high	134 Å²	134	36.9 Å²	36.9	58%	0.583	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	-1.8	-172.4	-52.2	170.3	-174.3	166.4	0	117.3	R210 D282 R305	R210-K212 PolarHBondContact O-N 2.82Å; R210-K212 VanDerWaalsContact O-N 3.09Å; K212-D282 PolarHBondContact N-OD2 3.31Å; K212-R305 PolarHBondContact O-NH1 3.18Å
213	E	97.8	Very high	98.2	Very high	122 Å²	122	36.9 Å²	36.9	57%	0.57	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	150.8	177.7	-62.7	-55.9	139.6	0	0	111	C209 R210 G211	C209-E213 CarbonylContact C-O 3.51Å; C209-E213 WeakPolarHBondContact CA-O 3.35Å; R210-E213 PolarHBondContact N-O 3.08Å; R210-E213 PolarHBondContact O-N 3.41Å; R210-E213 VanDerWaalsContact O-O 3.12Å; G211-E213 VanDerWaalsContact C-N 3.29Å; G211-E213 PolarHBondContact O-N 3.37Å
214	P	98.2	Very high	98.2	Very high	30 Å²	30	40.7 Å²	40.7	20%	0.195	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.6	172.4	31.6	-33.7	0	0	0	111.3	V207 L208 N297 E298	V207-P214 HydrophobicContact CG1-CB 3.78Å; L208-P214 CarbonylContact O-C 3.5Å; P214-N297 HydrophobicContact CB-CB 3.83Å; P214-N297 HydrophobicContact CG-CB 4.23Å; P214-E298 HydrophobicContact CG-CB 4.44Å; P214-E298 HydrophobicContact CG-CG 3.88Å
215	V	98.5	Very high	98.2	Very high	56 Å²	56	42.6 Å²	42.6	34%	0.339	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	111.9	170.2	-178.4	0	0	0	0	106.9	L208 R210 L217	L208-V215 HydrophobicContact CB-CB 4.28Å; L208-V215 PolarHBondContact N-O 3.34Å; L208-V215 PolarHBondContact O-N 3.48Å; R210-V215 HydrophobicContact CB-CG2 4.01Å; V215-L217 HydrophobicContact CG1-CD2 4.19Å; V215-L217 PolarHBondContact O-N 3.3Å
216	E	98.2	Very high	98.1	Very high	110 Å²	110	49.9 Å²	49.9	51%	0.514	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.3	177.1	-67.8	175	-170.7	0	0	109.7	N297	E216-N297 WeakPolarHBondContact CG-ND2 3.43Å; E216-N297 PolarHBondContact OE1-ND2 3.49Å
217	L	98.6	Very high	98.1	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	27%	0.265	C	S	.	.	S	Bend	trans	-98.4	-7.6	176.1	-59.5	-167.5	0	0	0	112.4	V196 V198 A206 L208 V215 T273 V275 L284	V196-L217 HydrophobicContact CG1-CD1 3.9Å; V198-L217 HydrophobicContact CB-CB 4.12Å; V198-L217 HydrophobicContact CG1-CB 4.39Å; V198-L217 HydrophobicContact CG2-CB 3.73Å; V198-L217 HydrophobicContact CG2-CD1 3.64Å; V198-L217 HydrophobicContact CG2-CG 4.37Å; A206-L217 HydrophobicContact CB-CB 4.26Å; A206-L217 PolarHBondContact O-N 2.97Å; L208-L217 HydrophobicContact CB-CD1 3.9Å; L208-L217 HydrophobicContact CB-CD2 4.13Å; L208-L217 HydrophobicContact CB-CG 3.92Å; L208-L217 HydrophobicContact CD2-CD2 4.48Å; V215-L217 HydrophobicContact CG1-CD2 4.19Å; V215-L217 PolarHBondContact O-N 3.3Å; L217-T273 WeakPolarHBondContact O-CB 3.43Å; L217-T273 PolarHBondContact O-OG1 3.13Å; L217-V275 HydrophobicContact CD2-CG2 3.7Å; L217-L284 HydrophobicContact CD1-CD1 3.73Å
218	S	98.6	Very high	98.1	Very high	5 Å²	5	53.6 Å²	53.6	4%	0.035	27%	0.265	C	S	.	.			trans	-142.7	145.2	176.9	60.1	0	0	0	0	110.1	R205 A206	R205-S218 WeakPolarHBondContact CA-OG 3.31Å; R205-S218 WeakPolarHBondContact CG-OG 3.41Å; A206-S218 PolarHBondContact N-OG 3.42Å
219	I	98.6	Very high	98.1	Very high	99 Å²	99	58.6 Å²	58.6	51%	0.508	28%	0.284	S	S	.	.			trans	-107.5	128.7	171.5	-55.9	172.5	0	0	0	107.3	N200 H221	N200-I219 PolarHBondContact ND2-O 2.81Å; I219-H221 PolarHBondContact O-N 3.18Å
220	D	98.7	Very high	98.1	Very high	23 Å²	23	61.3 Å²	61.3	12%	0.123	31%	0.307	C	S	.	.			trans	-58.9	135.5	-179.5	-58.8	11	0	0	0	111.1	D203 R205 K222	D203-D220 HydrophobicContact CB-CB 4.06Å; R205-D220 IonicContact CZ-OD1 3.94Å; R205-D220 IonicContact CZ-OD2 3.79Å; R205-D220 IonicContact NE-OD1 3.22Å; R205-D220 PolarHBondContact NE-OD1 3.01Å; R205-D220 IonicContact NE-OD2 2.79Å; R205-D220 IonicContact NH2-OD1 2.7Å; R205-D220 PolarHBondContact NH2-OD1 3.41Å; R205-D220 IonicContact NH2-OD2 2.78Å; R205-D220 PolarHBondContact NH2-OD2 2.88Å; D220-K222 HydrophobicContact CB-CD 4.49Å; D220-K222 HydrophobicContact CB-CG 3.92Å; D220-K222 PolarHBondContact O-N 3.22Å
221	H	98.8	Very high	98.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.305	C	S	.	.			trans	-82.1	67.9	174.3	-66.9	132.4	0	0	0	110.6	N200 G202 I219 R225 M253 S254 R255 E271	N200-H221 PolarHBondContact O-CE1 2.97Å; G202-H221 PolarHBondContact N-ND1 3.01Å; G202-H221 VanDerWaalsContact N-ND1 3.19Å; G202-H221 PolarHBondContact O-N 2.98Å; I219-H221 PolarHBondContact O-N 3.18Å; H221-R225 PolarHBondContact CD2-NH1 3.21Å; H221-M253 CarbonylContact O-C 3.55Å; H221-M253 VanDerWaalsContact O-CA 3.26Å; H221-M253 WeakPolarHBondContact O-CA 3.5Å; H221-M253 WeakPolarHBondContact O-CB 3.45Å; H221-S254 PolarHBondContact O-N 3.45Å; H221-S254 PolarHBondContact O-OG 2.8Å; H221-S254 VanDerWaalsContact O-OG 3.08Å; H221-R255 HydrophobicContact CB-CB 3.95Å; H221-R255 HydrophobicContact CB-CG 4.01Å; H221-R255 PolarHBondContact NE2-NH1 2.81Å; H221-E271 VanDerWaalsContact NE2-CD 3.27Å; H221-E271 IonicContact NE2-OE1 3.16Å; H221-E271 PolarHBondContact NE2-OE1 3.03Å; H221-E271 IonicContact NE2-OE2 3.47Å
222	K	98.4	Very high	98.3	Very high	54 Å²	54	59 Å²	59	24%	0.235	29%	0.286	C	S	.	.			trans	-85.4	138.5	175.6	-60.4	-65.5	-172.6	-179.3	0	110.7	D203 D220 D224 R225	D203-K222 HydrophobicContact CB-CD 3.99Å; D203-K222 VanDerWaalsContact CB-CE 3.47Å; D203-K222 VanDerWaalsContact CB-NZ 3.33Å; D203-K222 IonicContact OD2-NZ 2.71Å; D203-K222 PolarHBondContact OD2-NZ 2.92Å; D220-K222 HydrophobicContact CB-CD 4.49Å; D220-K222 HydrophobicContact CB-CG 3.92Å; D220-K222 PolarHBondContact O-N 3.22Å; K222-D224 WeakPolarHBondContact CB-OD1 3.14Å; K222-D224 PolarHBondContact O-N 3.36Å; K222-D224 VanDerWaalsContact O-N 3.11Å; K222-R225 VanDerWaalsContact O-CB 3.24Å; K222-R225 WeakPolarHBondContact O-CB 3.45Å; K222-R225 PolarHBondContact O-N 2.79Å
223	P	98.3	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	-176.8	-28.5	37.3	0	0	0	115.9	R229 V239 V247 A252	P223-R229 WeakPolarHBondContact O-CB 3.41Å; P223-V239 HydrophobicContact CB-CG1 3.73Å; P223-V239 HydrophobicContact CB-CG2 4.11Å; P223-V247 HydrophobicContact CB-CG2 4.1Å; P223-V247 HydrophobicContact CG-CG2 3.72Å; P223-A252 WeakPolarHBondContact CD-O 3.49Å
224	D	98.1	Very high	98.5	Very high	81 Å²	81	55.2 Å²	55.2	43%	0.433	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.7	176.5	62	-39.2	0	0	0	114.4	K222 K226 Y245	K222-D224 WeakPolarHBondContact CB-OD1 3.14Å; K222-D224 PolarHBondContact O-N 3.36Å; K222-D224 VanDerWaalsContact O-N 3.11Å; D224-K226 PolarHBondContact O-N 3.42Å; D224-Y245 HydrophobicContact CB-CD1 4.17Å; D224-Y245 HydrophobicContact CB-CD2 3.43Å; D224-Y245 VanDerWaalsContact CB-CD2 3.43Å; D224-Y245 HydrophobicContact CB-CE2 3.95Å; D224-Y245 HydrophobicContact CB-CG 3.54Å; D224-Y245 WeakPolarHBondContact OD2-CD2 3.45Å
225	R	98.4	Very high	98.5	Very high	39 Å²	39	58.3 Å²	58.3	15%	0.147	30%	0.3	C	S	.	.	S	Bend	trans	-58.3	127.8	167.9	-153.1	178.1	74.8	176.1	6.1	108.3	H221 K222 D227 E228 R229 E271	H221-R225 PolarHBondContact CD2-NH1 3.21Å; K222-R225 VanDerWaalsContact O-CB 3.24Å; K222-R225 WeakPolarHBondContact O-CB 3.45Å; K222-R225 PolarHBondContact O-N 2.79Å; R225-D227 VanDerWaalsContact C-N 3.29Å; R225-D227 VanDerWaalsContact CG-OD1 3.22Å; R225-D227 WeakPolarHBondContact CG-OD1 3.31Å; R225-D227 IonicContact CZ-OD1 2.68Å; R225-D227 IonicContact CZ-OD2 3.6Å; R225-D227 IonicContact NE-OD1 3.21Å; R225-D227 PolarHBondContact NE-OD1 2.71Å; R225-D227 IonicContact NE-OD2 2.81Å; R225-D227 PolarHBondContact NE-OD2 2.91Å; R225-D227 IonicContact NH2-OD1 3.18Å; R225-D227 IonicContact NH2-OD2 3.46Å; R225-D227 PolarHBondContact NH2-OD2 3.38Å; R225-D227 PolarHBondContact O-N 3.23Å; R225-E228 HydrophobicContact CB-CB 4.22Å; R225-E228 HydrophobicContact CB-CG 4.29Å; R225-E228 IonicContact NH2-OE1 2.88Å; R225-E228 PolarHBondContact O-N 3.21Å; R225-R229 WeakPolarHBondContact O-CB 3.36Å; R225-R229 PolarHBondContact O-N 2.83Å; R225-E271 IonicContact CZ-OE1 3.38Å; R225-E271 IonicContact CZ-OE2 3.78Å; R225-E271 IonicContact NH1-OE1 3.33Å; R225-E271 IonicContact NH1-OE2 3.42Å; R225-E271 PolarHBondContact NH1-OE2 3.33Å; R225-E271 VanDerWaalsContact NH1-OE2 3.09Å; R225-E271 IonicContact NH2-OE1 4Å; R225-E271 PolarHBondContact NH2-OE1 2.77Å; R225-E271 IonicContact NH2-OE2 2.84Å; R225-E271 PolarHBondContact NH2-OE2 3.45Å
226	K	98.5	Very high	98.5	Very high	191 Å²	191	58.6 Å²	58.6	83%	0.83	31%	0.314	S	S	*	.	H	α-helix	trans	-55.9	-41.3	-164.6	-69.2	-177.4	-180	177.4	0	113.5	D224 A230	D224-K226 PolarHBondContact O-N 3.42Å; K226-A230 VanDerWaalsContact O-CB 3.3Å; K226-A230 WeakPolarHBondContact O-CB 3.41Å; K226-A230 PolarHBondContact O-N 2.94Å
227	D	98.6	Very high	98.5	Very high	76 Å²	76	53.8 Å²	53.8	41%	0.406	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-44.6	177.8	62.2	-38	0	0	0	112.2	R225 A230 R231	R225-D227 VanDerWaalsContact C-N 3.29Å; R225-D227 VanDerWaalsContact CG-OD1 3.22Å; R225-D227 WeakPolarHBondContact CG-OD1 3.31Å; R225-D227 IonicContact CZ-OD1 2.68Å; R225-D227 IonicContact CZ-OD2 3.6Å; R225-D227 IonicContact NE-OD1 3.21Å; R225-D227 PolarHBondContact NE-OD1 2.71Å; R225-D227 IonicContact NE-OD2 2.81Å; R225-D227 PolarHBondContact NE-OD2 2.91Å; R225-D227 IonicContact NH2-OD1 3.18Å; R225-D227 IonicContact NH2-OD2 3.46Å; R225-D227 PolarHBondContact NH2-OD2 3.38Å; R225-D227 PolarHBondContact O-N 3.23Å; D227-A230 PolarHBondContact O-N 3.07Å; D227-R231 WeakPolarHBondContact O-CB 3.24Å; D227-R231 PolarHBondContact O-N 2.82Å
228	E	98.8	Very high	98.4	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-42.1	178	-69.8	-67.4	96.4	0	0	111.8	R225 R231 I232 S254 R255	R225-E228 HydrophobicContact CB-CB 4.22Å; R225-E228 HydrophobicContact CB-CG 4.29Å; R225-E228 IonicContact NH2-OE1 2.88Å; R225-E228 PolarHBondContact O-N 3.21Å; E228-R231 WeakPolarHBondContact O-CB 3.46Å; E228-R231 PolarHBondContact O-N 3.29Å; E228-R231 IonicContact OE1-CZ 3.31Å; E228-R231 IonicContact OE1-NE 2.67Å; E228-R231 PolarHBondContact OE1-NE 2.78Å; E228-R231 IonicContact OE1-NH2 3.57Å; E228-R231 IonicContact OE2-CZ 3.6Å; E228-R231 IonicContact OE2-NE 3.88Å; E228-R231 IonicContact OE2-NH2 2.79Å; E228-R231 PolarHBondContact OE2-NH2 3.13Å; E228-I232 WeakPolarHBondContact O-CD1 3.45Å; E228-I232 VanDerWaalsContact O-CG1 3.29Å; E228-I232 WeakPolarHBondContact O-CG1 3.38Å; E228-I232 PolarHBondContact O-N 3.02Å; E228-S254 WeakPolarHBondContact CG-OG 3.44Å; E228-S254 VanDerWaalsContact OE2-CB 3.24Å; E228-S254 WeakPolarHBondContact OE2-CB 3.2Å; E228-S254 PolarHBondContact OE2-OG 2.66Å; E228-R255 VanDerWaalsContact CD-NE 3.34Å; E228-R255 IonicContact OE1-CZ 3Å; E228-R255 IonicContact OE1-NE 2.76Å; E228-R255 PolarHBondContact OE1-NE 3.09Å; E228-R255 VanDerWaalsContact OE1-NE 3.16Å; E228-R255 IonicContact OE1-NH2 2.69Å; E228-R255 PolarHBondContact OE1-NH2 3.48Å; E228-R255 VanDerWaalsContact OE2-CG 3.26Å; E228-R255 WeakPolarHBondContact OE2-CG 3.44Å; E228-R255 IonicContact OE2-CZ 3.6Å; E228-R255 IonicContact OE2-NE 2.68Å; E228-R255 PolarHBondContact OE2-NE 2.85Å; E228-R255 IonicContact OE2-NH2 2.64Å
229	R	98.6	Very high	98.4	Very high	105 Å²	105	60.9 Å²	60.9	40%	0.396	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-50	173.3	-176	171.7	178.2	-172.1	-2.2	111.4	P223 R225 R231 I232 E233 V239	P223-R229 WeakPolarHBondContact O-CB 3.41Å; R225-R229 WeakPolarHBondContact O-CB 3.36Å; R225-R229 PolarHBondContact O-N 2.83Å; R229-R231 VanDerWaalsContact C-N 3.31Å; R229-R231 PolarHBondContact O-N 2.95Å; R229-I232 PolarHBondContact O-N 2.9Å; R229-E233 HydrophobicContact CG-CG 4.32Å; R229-E233 IonicContact CZ-OE1 2.6Å; R229-E233 IonicContact NE-OE1 3.01Å; R229-E233 PolarHBondContact NE-OE1 2.86Å; R229-E233 IonicContact NE-OE2 3.35Å; R229-E233 IonicContact NH2-OE1 3.51Å; R229-E233 PolarHBondContact NH2-OE1 2.86Å; R229-E233 WeakPolarHBondContact O-CB 3.5Å; R229-E233 WeakPolarHBondContact O-CG 3.42Å; R229-E233 PolarHBondContact O-N 2.95Å; R229-V239 HydrophobicContact CB-CG2 4.47Å; R229-V239 HydrophobicContact CG-CB 4.32Å; R229-V239 HydrophobicContact CG-CG2 4.06Å
230	A	98.7	Very high	98.4	Very high	57 Å²	57	59.4 Å²	59.4	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-41.3	178.5	0	0	0	0	0	111.6	K226 D227 A234	K226-A230 VanDerWaalsContact O-CB 3.3Å; K226-A230 WeakPolarHBondContact O-CB 3.41Å; K226-A230 PolarHBondContact O-N 2.94Å; D227-A230 PolarHBondContact O-N 3.07Å; A230-A234 WeakPolarHBondContact O-CB 3.12Å; A230-A234 PolarHBondContact O-N 2.73Å
231	R	98.7	Very high	98.4	Very high	52 Å²	52	64.9 Å²	64.9	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-47.4	175.2	-179.2	-176.4	63.6	71.2	-2.5	111.9	D227 E228 R229 L235 S254 F265	D227-R231 WeakPolarHBondContact O-CB 3.24Å; D227-R231 PolarHBondContact O-N 2.82Å; E228-R231 WeakPolarHBondContact O-CB 3.46Å; E228-R231 PolarHBondContact O-N 3.29Å; E228-R231 IonicContact OE1-CZ 3.31Å; E228-R231 IonicContact OE1-NE 2.67Å; E228-R231 PolarHBondContact OE1-NE 2.78Å; E228-R231 IonicContact OE1-NH2 3.57Å; E228-R231 IonicContact OE2-CZ 3.6Å; E228-R231 IonicContact OE2-NE 3.88Å; E228-R231 IonicContact OE2-NH2 2.79Å; E228-R231 PolarHBondContact OE2-NH2 3.13Å; R229-R231 VanDerWaalsContact C-N 3.31Å; R229-R231 PolarHBondContact O-N 2.95Å; R231-L235 WeakPolarHBondContact O-CG 2.88Å; R231-L235 PolarHBondContact O-N 2.79Å; R231-S254 PolarHBondContact NH2-O 3.16Å; R231-F265 PolarHBondContact NH1-O 3.13Å; R231-F265 PolarHBondContact NH2-O 2.87Å
232	I	98.7	Very high	98.2	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.6	-48.2	-179.8	-69.5	161.8	0	0	0	110.8	E228 R229 A234 L235 G237 V239 V247 F265	E228-I232 WeakPolarHBondContact O-CD1 3.45Å; E228-I232 VanDerWaalsContact O-CG1 3.29Å; E228-I232 WeakPolarHBondContact O-CG1 3.38Å; E228-I232 PolarHBondContact O-N 3.02Å; R229-I232 PolarHBondContact O-N 2.9Å; I232-A234 PolarHBondContact O-N 2.9Å; I232-L235 PolarHBondContact O-N 3.5Å; I232-G237 WeakPolarHBondContact O-CA 3.44Å; I232-G237 PolarHBondContact O-N 3.09Å; I232-V239 HydrophobicContact CB-CG2 4.29Å; I232-V239 HydrophobicContact CD1-CG2 3.98Å; I232-V239 HydrophobicContact CG2-CG2 4.09Å; I232-V247 HydrophobicContact CD1-CG1 4.48Å; I232-V247 HydrophobicContact CD1-CG2 3.78Å; I232-V247 HydrophobicContact CG2-CG1 4.48Å; I232-F265 HydrophobicContact CG1-CB 4.47Å; I232-F265 HydrophobicContact CG2-CB 4.3Å; I232-F265 HydrophobicContact CG2-CD1 4.42Å
233	E	98.4	Very high	98	Very high	87 Å²	87	77.7 Å²	77.7	41%	0.407	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-34.8	-178.3	-70.5	178.6	170.3	0	0	111.9	R229 L235 G236	R229-E233 HydrophobicContact CG-CG 4.32Å; R229-E233 IonicContact CZ-OE1 2.6Å; R229-E233 IonicContact NE-OE1 3.01Å; R229-E233 PolarHBondContact NE-OE1 2.86Å; R229-E233 IonicContact NE-OE2 3.35Å; R229-E233 IonicContact NH2-OE1 3.51Å; R229-E233 PolarHBondContact NH2-OE1 2.86Å; R229-E233 WeakPolarHBondContact O-CB 3.5Å; R229-E233 WeakPolarHBondContact O-CG 3.42Å; R229-E233 PolarHBondContact O-N 2.95Å; E233-L235 PolarHBondContact O-N 2.95Å; E233-G236 PolarHBondContact O-N 3.35Å
234	A	98.6	Very high	97.8	Very high	89 Å²	89	79.7 Å²	79.7	74%	0.736	42%	0.421	S	S	*	.	H	α-helix	trans	-63.6	-26.7	174.6	0	0	0	0	0	113.4	A230 I232 G236	A230-A234 WeakPolarHBondContact O-CB 3.12Å; A230-A234 PolarHBondContact O-N 2.73Å; I232-A234 PolarHBondContact O-N 2.9Å; A234-G236 VanDerWaalsContact C-N 3.3Å
235	L	98.1	Very high	97.8	Very high	95 Å²	95	80 Å²	80	50%	0.497	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	4.6	174.4	-64.6	173.7	0	0	0	112.9	R231 I232 E233 G237 P264 F265	R231-L235 WeakPolarHBondContact O-CG 2.88Å; R231-L235 PolarHBondContact O-N 2.79Å; I232-L235 PolarHBondContact O-N 3.5Å; E233-L235 PolarHBondContact O-N 2.95Å; L235-G237 VanDerWaalsContact C-N 3.32Å; L235-P264 HydrophobicContact CD1-CB 4.39Å; L235-P264 HydrophobicContact CD1-CG 4.4Å; L235-F265 HydrophobicContact CB-CD1 4.18Å; L235-F265 HydrophobicContact CB-CE1 4.12Å
236	G	98.1	Very high	97.8	Very high	62 Å²	62	81.3 Å²	81.3	64%	0.639	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	7.5	-176.7	0	0	0	0	0	114.5	E233 A234	E233-G236 PolarHBondContact O-N 3.35Å; A234-G236 VanDerWaalsContact C-N 3.3Å
237	G	97.9	Very high	97.8	Very high	8 Å²	8	72.2 Å²	72.2	8%	0.082	38%	0.383	C	S	.	.			trans	-74.2	172.1	172.7	0	0	0	0	0	112.2	I232 L235 F265	I232-G237 WeakPolarHBondContact O-CA 3.44Å; I232-G237 PolarHBondContact O-N 3.09Å; L235-G237 VanDerWaalsContact C-N 3.32Å; G237-F265 VanDerWaalsContact N-CE1 3.25Å
238	K	98	Very high	97.7	Very high	140 Å²	140	70.7 Å²	70.7	61%	0.609	38%	0.378	S	S	*	.			trans	-128.3	138.6	178	-65	-176.8	-179.5	178.7	0	110.6	I240 S248	K238-I240 HydrophobicContact CB-CD1 4.29Å; K238-I240 HydrophobicContact CB-CG1 4.06Å; K238-S248 PolarHBondContact O-N 3.07Å
239	V	98.3	Very high	97.6	Very high	18 Å²	18	71.5 Å²	71.5	11%	0.109	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.1	166	178.8	0	0	0	0	107.8	P223 R229 I232 Y245	P223-V239 HydrophobicContact CB-CG1 3.73Å; P223-V239 HydrophobicContact CB-CG2 4.11Å; R229-V239 HydrophobicContact CB-CG2 4.47Å; R229-V239 HydrophobicContact CG-CB 4.32Å; R229-V239 HydrophobicContact CG-CG2 4.06Å; I232-V239 HydrophobicContact CB-CG2 4.29Å; I232-V239 HydrophobicContact CD1-CG2 3.98Å; I232-V239 HydrophobicContact CG2-CG2 4.09Å; V239-Y245 HydrophobicContact CG1-CD1 4.03Å; V239-Y245 HydrophobicContact CG1-CG 4.48Å
240	I	98.2	Very high	97.5	Very high	68 Å²	68	70.7 Å²	70.7	35%	0.349	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.6	-172.1	-54.5	177.9	0	0	0	108.5	K238 W242 R246	K238-I240 HydrophobicContact CB-CD1 4.29Å; K238-I240 HydrophobicContact CB-CG1 4.06Å; I240-W242 HydrophobicContact CG2-CB 4.42Å; I240-W242 PolarHBondContact O-N 3.34Å; I240-R246 PolarHBondContact N-O 2.89Å; I240-R246 PolarHBondContact O-N 3.08Å
241	Q	97.4	Very high	97.5	Very high	138 Å²	138	68.7 Å²	68.7	65%	0.645	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	100	171.9	-165.7	178.5	15.3	0	0	109.3	G244 Y245	Q241-G244 CarbonylContact C-O 3.51Å; Q241-G244 WeakPolarHBondContact CA-O 3.4Å; Q241-Y245 HydrophobicContact CB-CD1 3.91Å; Q241-Y245 HydrophobicContact CB-CE1 3.77Å; Q241-Y245 HydrophobicContact CG-CD1 4.3Å; Q241-Y245 HydrophobicContact CG-CE1 4.1Å
242	W	95.2	Very high	97.4	Very high	177 Å²	177	67.5 Å²	67.5	67%	0.67	37%	0.372	S	S	*	.	S	Bend	trans	-142.4	95.2	179.3	-170.7	-80.4	0	0	0	108.9	I240 G244 R246	I240-W242 HydrophobicContact CG2-CB 4.42Å; I240-W242 PolarHBondContact O-N 3.34Å; W242-G244 CarbonylContact C-O 3.55Å; W242-G244 PolarHBondContact N-O 2.88Å; W242-R246 WeakPolarHBondContact O-CD 3.42Å; W242-R246 PolarHBondContact O-NE 3.01Å
243	N	94	Very high	97.4	Very high	146 Å²	146	68.1 Å²	68.1	78%	0.781	38%	0.375	S	S	*	.	S	Bend	trans	49.3	57.3	-168.5	-65.2	-8	0	0	0	111.9	R246	N243-R246 PolarHBondContact O-NE 2.93Å; N243-R246 PolarHBondContact O-NH2 3.43Å
244	G	95	Very high	97.4	Very high	42 Å²	42	64 Å²	64	43%	0.433	36%	0.356	S	S	.	.	S	Bend	trans	101.4	165.7	-167.3	0	0	0	0	0	112	Q241 W242	Q241-G244 CarbonylContact C-O 3.51Å; Q241-G244 WeakPolarHBondContact CA-O 3.4Å; W242-G244 CarbonylContact C-O 3.55Å; W242-G244 PolarHBondContact N-O 2.88Å
245	Y	98.1	Very high	97.4	Very high	86 Å²	86	60.5 Å²	60.5	34%	0.337	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.2	174.3	-72	-80.6	0	0	0	110	D224 V239 Q241	D224-Y245 HydrophobicContact CB-CD1 4.17Å; D224-Y245 HydrophobicContact CB-CD2 3.43Å; D224-Y245 VanDerWaalsContact CB-CD2 3.43Å; D224-Y245 HydrophobicContact CB-CE2 3.95Å; D224-Y245 HydrophobicContact CB-CG 3.54Å; D224-Y245 WeakPolarHBondContact OD2-CD2 3.45Å; V239-Y245 HydrophobicContact CG1-CD1 4.03Å; V239-Y245 HydrophobicContact CG1-CG 4.48Å; Q241-Y245 HydrophobicContact CB-CD1 3.91Å; Q241-Y245 HydrophobicContact CB-CE1 3.77Å; Q241-Y245 HydrophobicContact CG-CD1 4.3Å; Q241-Y245 HydrophobicContact CG-CE1 4.1Å
246	R	98.6	Very high	97.5	Very high	68 Å²	68	56 Å²	56	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.1	-173.3	-65.6	176.9	-179.7	-89.4	-11.1	112.3	I240 W242 N243 S248 G249 I250 L251 A252	I240-R246 PolarHBondContact N-O 2.89Å; I240-R246 PolarHBondContact O-N 3.08Å; W242-R246 WeakPolarHBondContact O-CD 3.42Å; W242-R246 PolarHBondContact O-NE 3.01Å; N243-R246 PolarHBondContact O-NE 2.93Å; N243-R246 PolarHBondContact O-NH2 3.43Å; R246-S248 PolarHBondContact O-N 2.86Å; R246-G249 PolarHBondContact O-N 2.9Å; R246-I250 WeakPolarHBondContact CD-O 3.34Å; R246-I250 PolarHBondContact NH1-O 2.85Å; R246-L251 CarbonylContact C-O 3.58Å; R246-L251 WeakPolarHBondContact CA-O 3.4Å; R246-L251 WeakPolarHBondContact CB-O 3.21Å; R246-A252 HydrophobicContact CG-CB 4.29Å
247	V	98.1	Very high	97.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.6	170.1	-171.7	0	0	0	0	108.7	P223 I232 G249 I250 L251 M253 F265 V266	P223-V247 HydrophobicContact CB-CG2 4.1Å; P223-V247 HydrophobicContact CG-CG2 3.72Å; I232-V247 HydrophobicContact CD1-CG1 4.48Å; I232-V247 HydrophobicContact CD1-CG2 3.78Å; I232-V247 HydrophobicContact CG2-CG1 4.48Å; V247-G249 PolarHBondContact O-N 3.38Å; V247-I250 PolarHBondContact O-N 3.22Å; V247-L251 PolarHBondContact N-O 3.45Å; V247-L251 PolarHBondContact O-N 3.45Å; V247-M253 WeakPolarHBondContact CG2-O 3.3Å; V247-F265 HydrophobicContact CG1-CB 3.6Å; V247-F265 HydrophobicContact CG1-CG 4.41Å; V247-V266 HydrophobicContact CB-CG2 4.19Å; V247-V266 HydrophobicContact CG1-CG2 4.08Å; V247-V266 HydrophobicContact CG2-CG2 4.11Å
248	S	97	Very high	97.5	Very high	44 Å²	44	52.8 Å²	52.8	31%	0.308	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	19.7	-174.7	-59.2	0	0	0	0	114.4	K238 R246 I250	K238-S248 PolarHBondContact O-N 3.07Å; R246-S248 PolarHBondContact O-N 2.86Å; S248-I250 VanDerWaalsContact C-N 3.26Å; S248-I250 PolarHBondContact O-N 3.42Å
249	G	96.5	Very high	97.6	Very high	20 Å²	20	46.1 Å²	46.1	21%	0.206	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	7	-173.9	0	0	0	0	0	114.8	R246 V247	R246-G249 PolarHBondContact O-N 2.9Å; V247-G249 PolarHBondContact O-N 3.38Å
250	I	97	Very high	97.5	Very high	88 Å²	88	48.9 Å²	48.9	45%	0.451	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-64.3	-171.6	-57.3	170.4	0	0	0	111.3	R246 V247 S248 Y261 L262	R246-I250 WeakPolarHBondContact CD-O 3.34Å; R246-I250 PolarHBondContact NH1-O 2.85Å; V247-I250 PolarHBondContact O-N 3.22Å; S248-I250 VanDerWaalsContact C-N 3.26Å; S248-I250 PolarHBondContact O-N 3.42Å; I250-Y261 HydrophobicContact CD1-CE2 4.15Å; I250-Y261 HydrophobicContact CG2-CE2 4.3Å; I250-Y261 WeakPolarHBondContact CG2-OH 3.38Å; I250-L262 HydrophobicContact CD1-CD2 4.36Å
251	L	97.1	Very high	97.5	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.079	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-101.4	134.4	-170.2	-165.6	67.6	0	0	0	112.5	R246 V247 M253 D259 L262 V266	R246-L251 CarbonylContact C-O 3.58Å; R246-L251 WeakPolarHBondContact CA-O 3.4Å; R246-L251 WeakPolarHBondContact CB-O 3.21Å; V247-L251 PolarHBondContact N-O 3.45Å; V247-L251 PolarHBondContact O-N 3.45Å; L251-M253 HydrophobicContact CD1-SD 3.7Å; L251-M253 HydrophobicContact CD2-CG 4.09Å; L251-M253 HydrophobicContact CD2-SD 3.85Å; L251-M253 HydrophobicContact CG-CG 4.25Å; L251-M253 HydrophobicContact CG-SD 3.62Å; L251-D259 HydrophobicContact CD2-CB 4.49Å; L251-L262 HydrophobicContact CB-CD1 3.65Å; L251-L262 HydrophobicContact CD2-CD1 4.13Å; L251-V266 HydrophobicContact CD2-CG1 4.09Å; L251-V266 HydrophobicContact CD2-CG2 3.98Å
252	A	97.9	Very high	97.5	Very high	27 Å²	27	43.2 Å²	43.2	22%	0.223	22%	0.216	C	C	.	.	S	Bend	trans	-86.3	-0.8	-174.8	0	0	0	0	0	115	P223 R246	P223-A252 WeakPolarHBondContact CD-O 3.49Å; R246-A252 HydrophobicContact CG-CB 4.29Å
253	M	98.3	Very high	97.7	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.064	20%	0.196	C	C	.	.			trans	-117.9	153	166.9	66.5	-86.1	-59.1	0	0	111.7	T185 D203 H221 V247 L251 R255	T185-M253 HydrophobicContact CG2-CE 3.59Å; D203-M253 VanDerWaalsContact CG-CE 3.48Å; D203-M253 WeakPolarHBondContact OD1-CE 3.47Å; D203-M253 WeakPolarHBondContact OD2-CE 3.48Å; H221-M253 CarbonylContact O-C 3.55Å; H221-M253 VanDerWaalsContact O-CA 3.26Å; H221-M253 WeakPolarHBondContact O-CA 3.5Å; H221-M253 WeakPolarHBondContact O-CB 3.45Å; V247-M253 WeakPolarHBondContact CG2-O 3.3Å; L251-M253 HydrophobicContact CD1-SD 3.7Å; L251-M253 HydrophobicContact CD2-CG 4.09Å; L251-M253 HydrophobicContact CD2-SD 3.85Å; L251-M253 HydrophobicContact CG-CG 4.25Å; L251-M253 HydrophobicContact CG-SD 3.62Å; M253-R255 VanDerWaalsContact CG-O 3.31Å; M253-R255 WeakPolarHBondContact CG-O 3.39Å
254	S	98.6	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-94.6	-8.7	179.8	59.5	0	0	0	0	113.7	H221 E228 R231 V266	H221-S254 PolarHBondContact O-N 3.45Å; H221-S254 PolarHBondContact O-OG 2.8Å; H221-S254 VanDerWaalsContact O-OG 3.08Å; E228-S254 WeakPolarHBondContact CG-OG 3.44Å; E228-S254 VanDerWaalsContact OE2-CB 3.24Å; E228-S254 WeakPolarHBondContact OE2-CB 3.2Å; E228-S254 PolarHBondContact OE2-OG 2.66Å; R231-S254 PolarHBondContact NH2-O 3.16Å; S254-V266 WeakPolarHBondContact O-CA 3.38Å
255	R	98.9	Very high	98	Very high	16 Å²	16	34.1 Å²	34.1	6%	0.06	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-142.3	138.7	177.4	-55.2	-162.4	-164.9	165.7	14.3	110.4	G202 H221 E228 M253 I267 K269 E271	G202-R255 WeakPolarHBondContact CA-O 3.35Å; H221-R255 HydrophobicContact CB-CB 3.95Å; H221-R255 HydrophobicContact CB-CG 4.01Å; H221-R255 PolarHBondContact NE2-NH1 2.81Å; E228-R255 VanDerWaalsContact CD-NE 3.34Å; E228-R255 IonicContact OE1-CZ 3Å; E228-R255 IonicContact OE1-NE 2.76Å; E228-R255 PolarHBondContact OE1-NE 3.09Å; E228-R255 VanDerWaalsContact OE1-NE 3.16Å; E228-R255 IonicContact OE1-NH2 2.69Å; E228-R255 PolarHBondContact OE1-NH2 3.48Å; E228-R255 VanDerWaalsContact OE2-CG 3.26Å; E228-R255 WeakPolarHBondContact OE2-CG 3.44Å; E228-R255 IonicContact OE2-CZ 3.6Å; E228-R255 IonicContact OE2-NE 2.68Å; E228-R255 PolarHBondContact OE2-NE 2.85Å; E228-R255 IonicContact OE2-NH2 2.64Å; M253-R255 VanDerWaalsContact CG-O 3.31Å; M253-R255 WeakPolarHBondContact CG-O 3.39Å; R255-I267 VanDerWaalsContact CA-O 3.24Å; R255-I267 WeakPolarHBondContact CA-O 3.1Å; R255-I267 WeakPolarHBondContact CB-O 3.15Å; R255-I267 HydrophobicContact CG-CG1 3.93Å; R255-K269 WeakPolarHBondContact CD-O 3.41Å; R255-K269 PolarHBondContact NH1-O 2.88Å; R255-E271 IonicContact CZ-OE1 3.73Å; R255-E271 IonicContact NH1-OE1 2.74Å; R255-E271 PolarHBondContact NH1-OE1 3.16Å; R255-E271 IonicContact NH2-OE1 3.95Å; R255-E271 PolarHBondContact NH2-OE1 2.74Å
256	S	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.			trans	-164.5	164.2	177.4	61.8	0	0	0	0	109.3	D259 V266 I267 P268	S256-D259 WeakPolarHBondContact CB-OD2 3.24Å; S256-D259 PolarHBondContact OG-OD2 3.04Å; S256-V266 WeakPolarHBondContact OG-CG1 3.42Å; S256-I267 PolarHBondContact N-O 3.44Å; S256-I267 CarbonylContact O-C 3.52Å; S256-P268 VanDerWaalsContact O-CA 3.31Å; S256-P268 WeakPolarHBondContact O-CA 3.39Å
257	I	98.8	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.3	165.1	-63.7	159.7	0	0	0	107.6	V109 F153 L156 D157 V160 G183 S184 A186 P268	V109-I257 HydrophobicContact CG1-CB 4.35Å; V109-I257 HydrophobicContact CG1-CG2 3.93Å; F153-I257 HydrophobicContact CD2-CD1 4.29Å; L156-I257 HydrophobicContact CD2-CD1 3.73Å; L156-I257 HydrophobicContact CG-CD1 4.45Å; L156-I257 HydrophobicContact CG-CG2 4.35Å; D157-I257 HydrophobicContact CB-CG2 4.34Å; V160-I257 HydrophobicContact CG2-CG2 4.23Å; G183-I257 CarbonylContact C-O 3.6Å; G183-I257 WeakPolarHBondContact CA-O 3.26Å; S184-I257 PolarHBondContact N-O 3.31Å; S184-I257 PolarHBondContact O-N 3.15Å; A186-I257 HydrophobicContact CB-CD1 3.72Å; I257-P268 HydrophobicContact CG1-CB 4.49Å
258	G	98.4	Very high	98.1	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.2	-138	-173.7	0	0	0	0	0	111.9	D157 R260 K263	D157-G258 PolarHBondContact OD1-N 2.97Å; G258-R260 PolarHBondContact O-N 3.12Å; G258-R260 VanDerWaalsContact O-N 3.08Å; G258-K263 VanDerWaalsContact O-CE 3.26Å; G258-K263 WeakPolarHBondContact O-CE 3.42Å; G258-K263 PolarHBondContact O-NZ 3.22Å
259	D	98.4	Very high	98.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.161	C	C	.	.			trans	47.2	40.8	179.7	-63.9	-65.2	0	0	0	114.2	H104 E180 V182 L251 S256 Y261 L262 V266	H104-D259 IonicContact CD2-OD1 2.71Å; H104-D259 IonicContact CD2-OD2 3.59Å; H104-D259 IonicContact CE1-OD2 3.76Å; H104-D259 PolarHBondContact CE1-OD2 2.83Å; H104-D259 IonicContact NE2-OD1 3.56Å; H104-D259 PolarHBondContact NE2-OD1 2.84Å; H104-D259 IonicContact NE2-OD2 2.97Å; H104-D259 PolarHBondContact NE2-OD2 2.96Å; E180-D259 CarbonylContact O-C 3.34Å; V182-D259 PolarHBondContact O-N 3.23Å; V182-D259 VanDerWaalsContact O-N 3.1Å; L251-D259 HydrophobicContact CD2-CB 4.49Å; S256-D259 WeakPolarHBondContact CB-OD2 3.24Å; S256-D259 PolarHBondContact OG-OD2 3.04Å; D259-Y261 HydrophobicContact CB-CD1 4.4Å; D259-Y261 HydrophobicContact CB-CE1 4.14Å; D259-Y261 PolarHBondContact O-N 3.08Å; D259-L262 PolarHBondContact O-N 3.15Å; D259-V266 HydrophobicContact CB-CG1 4.31Å
260	R	97.4	Very high	98.3	Very high	76 Å²	76	31.3 Å²	31.3	29%	0.287	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.9	-173.3	65.8	-180	176.9	-104.1	1.8	113.6	A178 E180 G258 L262 K263	A178-R260 PolarHBondContact O-NH1 2.81Å; A178-R260 PolarHBondContact O-NH2 2.88Å; E180-R260 VanDerWaalsContact CA-CZ 3.42Å; E180-R260 HydrophobicContact CB-CG 3.55Å; E180-R260 VanDerWaalsContact CB-NE 3.3Å; E180-R260 PolarHBondContact O-N 2.75Å; E180-R260 VanDerWaalsContact O-N 3.13Å; G258-R260 PolarHBondContact O-N 3.12Å; G258-R260 VanDerWaalsContact O-N 3.08Å; R260-L262 VanDerWaalsContact C-N 3.27Å; R260-L262 PolarHBondContact O-N 2.89Å; R260-K263 HydrophobicContact CB-CD 4.37Å; R260-K263 PolarHBondContact O-N 3.17Å
261	Y	97.7	Very high	98.3	Very high	79 Å²	79	29.8 Å²	29.8	31%	0.31	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-67.5	-20	174.2	81.8	-64.7	0	0	0	114.6	E180 N181 I250 D259	E180-Y261 WeakPolarHBondContact O-CD1 2.93Å; E180-Y261 PolarHBondContact O-N 2.99Å; N181-Y261 HydrophobicContact CB-CD1 4.21Å; N181-Y261 HydrophobicContact CB-CE1 4.02Å; I250-Y261 HydrophobicContact CD1-CE2 4.15Å; I250-Y261 HydrophobicContact CG2-CE2 4.3Å; I250-Y261 WeakPolarHBondContact CG2-OH 3.38Å; D259-Y261 HydrophobicContact CB-CD1 4.4Å; D259-Y261 HydrophobicContact CB-CE1 4.14Å; D259-Y261 PolarHBondContact O-N 3.08Å
262	L	98.1	Very high	98.4	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.037	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-104.6	1.8	178.1	-72.2	175.7	0	0	0	113.6	I250 L251 D259 R260 F265 V266	I250-L262 HydrophobicContact CD1-CD2 4.36Å; L251-L262 HydrophobicContact CB-CD1 3.65Å; L251-L262 HydrophobicContact CD2-CD1 4.13Å; D259-L262 PolarHBondContact O-N 3.15Å; R260-L262 VanDerWaalsContact C-N 3.27Å; R260-L262 PolarHBondContact O-N 2.89Å; L262-F265 WeakPolarHBondContact O-CA 3.38Å; L262-F265 WeakPolarHBondContact O-CB 3.5Å; L262-F265 WeakPolarHBondContact O-CD2 3.16Å; L262-F265 PolarHBondContact O-N 3.26Å; L262-V266 HydrophobicContact CB-CB 4.08Å; L262-V266 HydrophobicContact CB-CG2 3.73Å; L262-V266 HydrophobicContact CD1-CG2 4Å; L262-V266 PolarHBondContact O-N 3.43Å; L262-V266 VanDerWaalsContact O-N 3.13Å
263	K	98	Very high	98.4	Very high	60 Å²	60	30.5 Å²	30.5	26%	0.261	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	139.4	170.1	-64.6	-178.6	-163.4	-69.1	0	108.9	D157 G258 R260 V266	D157-K263 IonicContact OD1-NZ 3.53Å; D157-K263 PolarHBondContact OD1-NZ 2.99Å; D157-K263 VanDerWaalsContact OD2-CE 3.24Å; D157-K263 WeakPolarHBondContact OD2-CE 3.31Å; D157-K263 IonicContact OD2-NZ 3.69Å; D157-K263 PolarHBondContact OD2-NZ 3.23Å; G258-K263 VanDerWaalsContact O-CE 3.26Å; G258-K263 WeakPolarHBondContact O-CE 3.42Å; G258-K263 PolarHBondContact O-NZ 3.22Å; R260-K263 HydrophobicContact CB-CD 4.37Å; R260-K263 PolarHBondContact O-N 3.17Å; K263-V266 WeakPolarHBondContact CG-O 3.07Å
264	P	97.9	Very high	98.4	Very high	72 Å²	72	31.9 Å²	31.9	47%	0.468	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.7	12.6	11.3	38.7	-36.8	0	0	0	114.7	L235 I267	L235-P264 HydrophobicContact CD1-CB 4.39Å; L235-P264 HydrophobicContact CD1-CG 4.4Å; P264-I267 WeakPolarHBondContact O-CG2 3.46Å
265	F	98.4	Very high	98.4	Very high	42 Å²	42	32.9 Å²	32.9	18%	0.184	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-42.8	-175.9	-46.2	-53.9	0	0	0	112	R231 I232 L235 G237 V247 L262	R231-F265 PolarHBondContact NH1-O 3.13Å; R231-F265 PolarHBondContact NH2-O 2.87Å; I232-F265 HydrophobicContact CG1-CB 4.47Å; I232-F265 HydrophobicContact CG2-CB 4.3Å; I232-F265 HydrophobicContact CG2-CD1 4.42Å; L235-F265 HydrophobicContact CB-CD1 4.18Å; L235-F265 HydrophobicContact CB-CE1 4.12Å; G237-F265 VanDerWaalsContact N-CE1 3.25Å; V247-F265 HydrophobicContact CG1-CB 3.6Å; V247-F265 HydrophobicContact CG1-CG 4.41Å; L262-F265 WeakPolarHBondContact O-CA 3.38Å; L262-F265 WeakPolarHBondContact O-CB 3.5Å; L262-F265 WeakPolarHBondContact O-CD2 3.16Å; L262-F265 PolarHBondContact O-N 3.26Å
266	V	98.7	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-95.6	120.6	172.4	-176.8	0	0	0	0	108.6	V247 L251 S254 S256 D259 L262 K263	V247-V266 HydrophobicContact CB-CG2 4.19Å; V247-V266 HydrophobicContact CG1-CG2 4.08Å; V247-V266 HydrophobicContact CG2-CG2 4.11Å; L251-V266 HydrophobicContact CD2-CG1 4.09Å; L251-V266 HydrophobicContact CD2-CG2 3.98Å; S254-V266 WeakPolarHBondContact O-CA 3.38Å; S256-V266 WeakPolarHBondContact OG-CG1 3.42Å; D259-V266 HydrophobicContact CB-CG1 4.31Å; L262-V266 HydrophobicContact CB-CB 4.08Å; L262-V266 HydrophobicContact CB-CG2 3.73Å; L262-V266 HydrophobicContact CD1-CG2 4Å; L262-V266 PolarHBondContact O-N 3.43Å; L262-V266 VanDerWaalsContact O-N 3.13Å; K263-V266 WeakPolarHBondContact CG-O 3.07Å
267	I	98.8	Very high	98.1	Very high	39 Å²	39	37.5 Å²	37.5	20%	0.2	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-122.5	148.7	-172.8	60.3	175.2	0	0	0	111.4	R255 S256 P264 K269	R255-I267 VanDerWaalsContact CA-O 3.24Å; R255-I267 WeakPolarHBondContact CA-O 3.1Å; R255-I267 WeakPolarHBondContact CB-O 3.15Å; R255-I267 HydrophobicContact CG-CG1 3.93Å; S256-I267 PolarHBondContact N-O 3.44Å; S256-I267 CarbonylContact O-C 3.52Å; P264-I267 WeakPolarHBondContact O-CG2 3.46Å; I267-K269 HydrophobicContact CD1-CB 3.95Å; I267-K269 HydrophobicContact CG1-CB 4.26Å; I267-K269 PolarHBondContact O-N 3.3Å
268	P	98.7	Very high	97.8	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.045	20%	0.197	C	C	.	.			trans	-85.7	19.8	-179.8	38.9	-40.3	0	0	0	112.8	F153 Q154 D157 S256 I257 P270	F153-P268 WeakPolarHBondContact CB-O 3.46Å; Q154-P268 VanDerWaalsContact OE1-CG 3.29Å; D157-P268 HydrophobicContact CB-CB 3.64Å; D157-P268 HydrophobicContact CB-CG 3.77Å; S256-P268 VanDerWaalsContact O-CA 3.31Å; S256-P268 WeakPolarHBondContact O-CA 3.39Å; I257-P268 HydrophobicContact CG1-CB 4.49Å; P268-P270 VanDerWaalsContact O-CD 3.29Å; P268-P270 WeakPolarHBondContact O-CD 3.4Å
269	K	98.7	Very high	97.6	Very high	109 Å²	109	45.8 Å²	45.8	47%	0.474	23%	0.228	S	C	.	.			trans	-81.3	114.4	-174.6	-177.8	175	179.8	174.7	0	110.7	T150 R255 I267	T150-K269 HydrophobicContact CG2-CG 4.37Å; R255-K269 WeakPolarHBondContact CD-O 3.41Å; R255-K269 PolarHBondContact NH1-O 2.88Å; I267-K269 HydrophobicContact CD1-CB 3.95Å; I267-K269 HydrophobicContact CG1-CB 4.26Å; I267-K269 PolarHBondContact O-N 3.3Å
270	P	98.7	Very high	97.4	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.032	25%	0.246	C	C	.	.			trans	-75.5	159.3	178.1	31.3	-32.8	0	0	0	112.4	F149 F153 A199 N200 C201 P268	F149-P270 HydrophobicContact CB-CG 3.96Å; F153-P270 HydrophobicContact CB-CG 4.25Å; F153-P270 HydrophobicContact CD1-CG 4.38Å; F153-P270 HydrophobicContact CD2-CB 3.76Å; F153-P270 HydrophobicContact CD2-CG 3.85Å; F153-P270 HydrophobicContact CE2-CB 3.78Å; F153-P270 HydrophobicContact CE2-CG 4.27Å; F153-P270 HydrophobicContact CG-CB 4.31Å; F153-P270 HydrophobicContact CG-CG 3.91Å; F153-P270 HydrophobicContact CZ-CB 4.35Å; A199-P270 HydrophobicContact CB-CB 4.25Å; N200-P270 CarbonylContact O-C 3.5Å; N200-P270 WeakPolarHBondContact O-CA 3.46Å; N200-P270 WeakPolarHBondContact O-CB 3.27Å; C201-P270 HydrophobicContact CB-CB 4.36Å; P268-P270 VanDerWaalsContact O-CD 3.29Å; P268-P270 WeakPolarHBondContact O-CD 3.4Å
271	E	98.8	Very high	97.4	Very high	56 Å²	56	45.6 Å²	45.6	26%	0.262	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128	159.4	-76.8	173.1	-171.2	0	0	108.6	A199 N200 H221 R225 R255	A199-E271 WeakPolarHBondContact CA-O 3.19Å; N200-E271 PolarHBondContact N-O 2.97Å; N200-E271 PolarHBondContact O-N 2.81Å; H221-E271 VanDerWaalsContact NE2-CD 3.27Å; H221-E271 IonicContact NE2-OE1 3.16Å; H221-E271 PolarHBondContact NE2-OE1 3.03Å; H221-E271 IonicContact NE2-OE2 3.47Å; R225-E271 IonicContact CZ-OE1 3.38Å; R225-E271 IonicContact CZ-OE2 3.78Å; R225-E271 IonicContact NH1-OE1 3.33Å; R225-E271 IonicContact NH1-OE2 3.42Å; R225-E271 PolarHBondContact NH1-OE2 3.33Å; R225-E271 VanDerWaalsContact NH1-OE2 3.09Å; R225-E271 IonicContact NH2-OE1 4Å; R225-E271 PolarHBondContact NH2-OE1 2.77Å; R225-E271 IonicContact NH2-OE2 2.84Å; R225-E271 PolarHBondContact NH2-OE2 3.45Å; R255-E271 IonicContact CZ-OE1 3.73Å; R255-E271 IonicContact NH1-OE1 2.74Å; R255-E271 PolarHBondContact NH1-OE1 3.16Å; R255-E271 IonicContact NH2-OE1 3.95Å; R255-E271 PolarHBondContact NH2-OE1 2.74Å
272	V	98.7	Very high	97.3	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.8	-177.8	-166.1	0	0	0	0	110.9	K142 W145 D146 F149 V197 V198 A199	K142-V272 WeakPolarHBondContact CE-O 3.2Å; K142-V272 PolarHBondContact NZ-O 3.47Å; W145-V272 HydrophobicContact CB-CG1 4.26Å; D146-V272 WeakPolarHBondContact OD1-CB 3.39Å; D146-V272 WeakPolarHBondContact OD1-CG2 3.22Å; F149-V272 HydrophobicContact CB-CG2 3.72Å; F149-V272 HydrophobicContact CD2-CG1 3.81Å; F149-V272 HydrophobicContact CD2-CG2 3.9Å; F149-V272 HydrophobicContact CE2-CG1 4.17Å; F149-V272 HydrophobicContact CG-CG2 4.12Å; V197-V272 HydrophobicContact CG1-CG1 3.65Å; V198-V272 CarbonylContact O-C 3.44Å; V198-V272 WeakPolarHBondContact O-CA 3.46Å; V198-V272 WeakPolarHBondContact O-CG1 3.48Å; A199-V272 HydrophobicContact CB-CG2 4.21Å
273	T	98.5	Very high	97.3	Very high	48 Å²	48	42.2 Å²	42.2	29%	0.294	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.8	174.1	-53.3	0	0	0	0	109	V197 V198 L217 V275	V197-T273 CarbonylContact C-O 3.6Å; V197-T273 WeakPolarHBondContact CA-O 3.48Å; V198-T273 PolarHBondContact N-O 2.88Å; V198-T273 PolarHBondContact O-N 3.47Å; L217-T273 WeakPolarHBondContact O-CB 3.43Å; L217-T273 PolarHBondContact O-OG1 3.13Å; T273-V275 HydrophobicContact CG2-CG2 3.76Å
274	V	98	Very high	97.4	Very high	42 Å²	42	39.3 Å²	39.3	26%	0.255	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.7	177.8	178.9	0	0	0	0	108.2	K142 W145 V197	K142-V274 HydrophobicContact CD-CG2 4.06Å; W145-V274 HydrophobicContact CB-CG2 4.12Å; W145-V274 HydrophobicContact CG-CG2 3.87Å; V197-V274 HydrophobicContact CG1-CG2 3.92Å; V197-V274 HydrophobicContact CG2-CG1 4.18Å; V197-V274 HydrophobicContact CG2-CG2 4.21Å
275	V	97	Very high	97.4	Very high	22 Å²	22	35.9 Å²	35.9	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.4	-176.8	-177.3	0	0	0	0	110.8	H195 V196 L217 T273 R277	H195-V275 WeakPolarHBondContact CA-O 3.33Å; V196-V275 PolarHBondContact N-O 2.79Å; V196-V275 PolarHBondContact O-N 3.25Å; L217-V275 HydrophobicContact CD2-CG2 3.7Å; T273-V275 HydrophobicContact CG2-CG2 3.76Å; V275-R277 PolarHBondContact O-N 2.88Å
276	P	96.2	Very high	97.4	Very high	77 Å²	77	33.9 Å²	33.9	50%	0.5	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	134.4	167.1	-19.3	30.9	0	0	0	110.3	R210	R210-P276 PolarHBondContact NH2-O 3Å
277	R	95.6	Very high	97.4	Very high	35 Å²	35	33.9 Å²	33.9	13%	0.132	18%	0.176	C	C	.	.			trans	-65.1	153.7	173.6	-71.9	178.6	64.2	-177.2	0.6	110.4	L24 C41 C192 S194 V196 V275 D281 L360	L24-R277 WeakPolarHBondContact CD1-O 3.47Å; C41-R277 PolarHBondContact SG-NH1 3.24Å; C192-R277 WeakPolarHBondContact O-CD 3.3Å; C192-R277 PolarHBondContact O-NH1 2.93Å; S194-R277 WeakPolarHBondContact O-CB 3.26Å; S194-R277 PolarHBondContact O-N 3.28Å; V196-R277 HydrophobicContact CG2-CG 3.98Å; V275-R277 PolarHBondContact O-N 2.88Å; R277-D281 WeakPolarHBondContact CA-OD2 3.34Å; R277-D281 WeakPolarHBondContact CB-OD2 3.47Å; R277-L360 PolarHBondContact NH2-O 2.6Å
278	A	94.1	Very high	97.4	Very high	22 Å²	22	32 Å²	32	18%	0.182	17%	0.167	C	C	.	.			trans	-133.2	160.1	177.6	0	0	0	0	0	110.5	D280 D281	A278-D280 WeakPolarHBondContact CB-OD1 3.49Å; A278-D280 PolarHBondContact O-N 2.59Å; A278-D281 PolarHBondContact N-OD2 3.45Å; A278-D281 WeakPolarHBondContact O-CB 3.14Å; A278-D281 VanDerWaalsContact O-CG 3.32Å; A278-D281 PolarHBondContact O-N 2.89Å; A278-D281 VanDerWaalsContact O-N 3.16Å
279	K	93.1	Very high	97.4	Very high	155 Å²	155	32.7 Å²	32.7	67%	0.674	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.7	-176.5	-67.2	178.2	-176.9	164.5	0	112.9	L24 K361	L24-K279 HydrophobicContact CD2-CG 3.95Å; K279-K361 PolarHBondContact O-NZ 2.76Å
280	D	95	Very high	97.4	Very high	71 Å²	71	27.5 Å²	27.5	38%	0.38	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.4	179.3	65	-32.2	0	0	0	113	R210 G211 A278 D282 K361	R210-D280 VanDerWaalsContact CG-OD2 3.26Å; R210-D280 WeakPolarHBondContact CG-OD2 3.48Å; G211-D280 PolarHBondContact N-O 3.19Å; G211-D280 PolarHBondContact N-OD2 3.21Å; A278-D280 WeakPolarHBondContact CB-OD1 3.49Å; A278-D280 PolarHBondContact O-N 2.59Å; D280-D282 PolarHBondContact O-N 3.41Å; D280-K361 PolarHBondContact O-NZ 2.99Å
281	D	97.1	Very high	97.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	122.2	166.9	-69.1	-17.3	0	0	0	109.5	L208 R210 R277 A278 L360 K361	L208-D281 HydrophobicContact CD1-CB 4.36Å; R210-D281 IonicContact CZ-OD1 2.87Å; R210-D281 IonicContact NE-OD1 3.63Å; R210-D281 PolarHBondContact NE-OD1 2.89Å; R210-D281 IonicContact NH2-OD1 3.14Å; R210-D281 PolarHBondContact NH2-OD1 2.93Å; R210-D281 IonicContact NH2-OD2 2.8Å; R210-D281 PolarHBondContact NH2-OD2 3.45Å; R277-D281 WeakPolarHBondContact CA-OD2 3.34Å; R277-D281 WeakPolarHBondContact CB-OD2 3.47Å; A278-D281 PolarHBondContact N-OD2 3.45Å; A278-D281 WeakPolarHBondContact O-CB 3.14Å; A278-D281 VanDerWaalsContact O-CG 3.32Å; A278-D281 PolarHBondContact O-N 2.89Å; A278-D281 VanDerWaalsContact O-N 3.16Å; D281-L360 HydrophobicContact CB-CB 3.97Å; D281-L360 HydrophobicContact CB-CD1 4.05Å; D281-K361 WeakPolarHBondContact O-CD 3.27Å; D281-K361 WeakPolarHBondContact O-CE 3.47Å; D281-K361 PolarHBondContact O-NZ 3.24Å
282	D	96.4	Very high	97.4	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.08	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-63	177.7	-69.2	-47.4	0	0	0	109.8	C209 K212 D280 R305 L360 K361	C209-D282 HydrophobicContact CB-CB 4.09Å; C209-D282 PolarHBondContact O-N 2.82Å; K212-D282 PolarHBondContact N-OD2 3.31Å; D280-D282 PolarHBondContact O-N 3.41Å; D282-R305 HydrophobicContact CB-CG 4.34Å; D282-R305 VanDerWaalsContact OD2-CD 3.31Å; D282-R305 WeakPolarHBondContact OD2-CD 3.29Å; D282-L360 PolarHBondContact O-N 3.4Å; D282-K361 WeakPolarHBondContact OD1-CE 3.08Å; D282-K361 IonicContact OD1-NZ 3.17Å; D282-K361 PolarHBondContact OD1-NZ 3.46Å
283	C	97.6	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	158.9	-179.3	58	0	0	0	0	111.5	C209 I308 V357 V358	C209-C283 PolarHBondContact N-O 2.86Å; C283-I308 HydrophobicContact CB-CD1 4.06Å; C283-V357 HydrophobicContact CB-CG1 4.29Å; C283-V358 CarbonylContact C-O 3.59Å; C283-V358 WeakPolarHBondContact CA-O 3.14Å; C283-V358 VanDerWaalsContact CB-O 3.27Å; C283-V358 WeakPolarHBondContact CB-O 3.08Å
284	L	98.6	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.7	171.4	173.5	69	0	0	0	109	A189 V191 V196 L208 L217 L286 V357 V358 L360	A189-L284 HydrophobicContact CB-CD2 3.75Å; V191-L284 HydrophobicContact CG2-CD2 3.96Å; V196-L284 HydrophobicContact CG1-CD2 3.88Å; L208-L284 HydrophobicContact CB-CD1 4.45Å; L217-L284 HydrophobicContact CD1-CD1 3.73Å; L284-L286 HydrophobicContact CD1-CD1 4.33Å; L284-L286 HydrophobicContact CD2-CD1 3.76Å; L284-L286 HydrophobicContact CG-CD1 3.7Å; L284-V357 CarbonylContact O-C 3.48Å; L284-V357 WeakPolarHBondContact O-CA 3.47Å; L284-V358 HydrophobicContact CB-CB 4.25Å; L284-V358 PolarHBondContact N-O 2.74Å; L284-V358 PolarHBondContact O-N 3.41Å; L284-L360 HydrophobicContact CB-CD1 4.06Å
285	I	98.8	Very high	97.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	178.9	-54.6	171.3	0	0	0	108.2	A206 V207 L291 W292 A300 A304 L340 V355 I356	A206-I285 CarbonylContact C-O 3.42Å; A206-I285 VanDerWaalsContact CA-O 3.31Å; A206-I285 WeakPolarHBondContact CA-O 3.29Å; V207-I285 PolarHBondContact N-O 3.48Å; V207-I285 PolarHBondContact O-N 3.4Å; I285-L291 HydrophobicContact CG2-CD2 4.4Å; I285-W292 HydrophobicContact CB-CH2 4.25Å; I285-W292 HydrophobicContact CG2-CH2 3.77Å; I285-W292 HydrophobicContact CG2-CZ2 3.93Å; I285-A300 HydrophobicContact CD1-CB 4.1Å; I285-A304 HydrophobicContact CD1-CB 3.77Å; I285-A304 HydrophobicContact CG1-CB 4.32Å; I285-L340 HydrophobicContact CD1-CD1 4.16Å; I285-L340 HydrophobicContact CG2-CD1 4.14Å; I285-V355 HydrophobicContact CG2-CG1 4.08Å; I285-I356 WeakPolarHBondContact CA-O 3.36Å
286	L	98.9	Very high	97.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.1	166.9	-70.4	74.8	0	0	0	107.6	F98 V100 V187 A189 R205 A206 L284 V355 I356	F98-L286 HydrophobicContact CB-CD2 4.29Å; V100-L286 HydrophobicContact CG2-CB 3.84Å; V187-L286 HydrophobicContact CG1-CB 4.47Å; V187-L286 HydrophobicContact CG1-CD2 4.46Å; A189-L286 HydrophobicContact CB-CD1 3.96Å; A189-L286 HydrophobicContact CB-CD2 3.9Å; A189-L286 HydrophobicContact CB-CG 4.44Å; R205-L286 WeakPolarHBondContact O-CA 3.18Å; A206-L286 HydrophobicContact CB-CG 4.19Å; L284-L286 HydrophobicContact CD1-CD1 4.33Å; L284-L286 HydrophobicContact CD2-CD1 3.76Å; L284-L286 HydrophobicContact CG-CD1 3.7Å; L286-V355 CarbonylContact O-C 3.45Å; L286-V355 WeakPolarHBondContact O-CA 2.96Å; L286-I356 HydrophobicContact CB-CB 4.37Å; L286-I356 PolarHBondContact N-O 2.87Å; L286-I356 PolarHBondContact O-N 2.94Å
287	A	98.9	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157.8	174.2	0	0	0	0	0	113.6	S204 R205 L291 W292 T354 V355	S204-A287 WeakPolarHBondContact CA-O 3.22Å; S204-A287 WeakPolarHBondContact CB-O 3.28Å; R205-A287 PolarHBondContact N-O 3.01Å; R205-A287 PolarHBondContact O-N 2.86Å; A287-L291 HydrophobicContact CB-CB 3.83Å; A287-L291 HydrophobicContact CB-CD2 3.55Å; A287-L291 HydrophobicContact CB-CG 4.3Å; A287-W292 HydrophobicContact CB-CZ2 3.92Å; A287-W292 PolarHBondContact O-NE1 2.53Å; A287-T354 WeakPolarHBondContact CA-O 3.29Å; A287-T354 WeakPolarHBondContact CB-O 3.25Å; A287-V355 HydrophobicContact CB-CB 4.36Å; A287-V355 HydrophobicContact CB-CG1 4.37Å; A287-V355 HydrophobicContact CB-CG2 3.99Å
288	S	98.8	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.			trans	-66.7	165.3	165.1	40.6	0	0	0	0	111.1	D59 D102 G290 L291 T354	D59-S288 WeakPolarHBondContact OD1-CB 3.46Å; D59-S288 PolarHBondContact OD2-OG 2.96Å; D102-S288 WeakPolarHBondContact OD2-CB 3.39Å; S288-G290 PolarHBondContact O-N 3.46Å; S288-L291 PolarHBondContact O-N 2.81Å; S288-T354 PolarHBondContact N-O 2.89Å; S288-T354 VanDerWaalsContact N-O 3.15Å; S288-T354 PolarHBondContact OG-N 2.95Å; S288-T354 PolarHBondContact OG-O 3.47Å
289	D	98.2	Very high	97.9	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.107	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-21	-178.4	69	-3.5	0	0	0	112.5	D102 L291 W292 D293	D102-D289 PolarHBondContact OD2-N 3.08Å; D289-L291 CarbonylContact O-C 3.48Å; D289-L291 PolarHBondContact O-N 3.13Å; D289-W292 PolarHBondContact O-N 2.7Å; D289-D293 WeakPolarHBondContact O-CB 3.25Å; D289-D293 PolarHBondContact O-N 2.98Å
290	G	98.1	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-54.8	-20.5	170.6	0	0	0	0	0	115.2	S288 T349 N352	S288-G290 PolarHBondContact O-N 3.46Å; G290-T349 WeakPolarHBondContact O-CB 3.47Å; G290-T349 WeakPolarHBondContact O-CG2 3.38Å; G290-T349 PolarHBondContact O-OG1 3.22Å; G290-T349 VanDerWaalsContact O-OG1 3.05Å; G290-N352 WeakPolarHBondContact CA-O 3.36Å
291	L	98.7	Very high	98.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-85.4	-54.4	163.1	178.1	65.9	0	0	0	111.9	I285 A287 S288 D289 D293 V294 V295 L340 A344 V355	I285-L291 HydrophobicContact CG2-CD2 4.4Å; A287-L291 HydrophobicContact CB-CB 3.83Å; A287-L291 HydrophobicContact CB-CD2 3.55Å; A287-L291 HydrophobicContact CB-CG 4.3Å; S288-L291 PolarHBondContact O-N 2.81Å; D289-L291 CarbonylContact O-C 3.48Å; D289-L291 PolarHBondContact O-N 3.13Å; L291-D293 VanDerWaalsContact C-N 3.32Å; L291-D293 PolarHBondContact O-N 2.72Å; L291-V294 PolarHBondContact O-N 2.97Å; L291-V295 HydrophobicContact CD1-CB 3.88Å; L291-V295 HydrophobicContact CD1-CG1 4.45Å; L291-V295 HydrophobicContact CD1-CG2 3.68Å; L291-V295 HydrophobicContact CG-CB 4.34Å; L291-V295 WeakPolarHBondContact O-CB 3.3Å; L291-V295 PolarHBondContact O-N 3.1Å; L291-L340 HydrophobicContact CD1-CB 4.23Å; L291-A344 HydrophobicContact CD1-CB 3.99Å; L291-V355 HydrophobicContact CB-CG2 4.29Å; L291-V355 HydrophobicContact CD2-CG1 4.24Å; L291-V355 HydrophobicContact CD2-CG2 3.95Å; L291-V355 HydrophobicContact CG-CG2 4.48Å
292	W	98.6	Very high	98.4	Very high	15 Å²	15	26.9 Å²	26.9	6%	0.057	14%	0.136	C	C	.	.	H	α-helix	trans	-71	-22.8	-165.9	-56.6	119.8	0	0	0	114.5	R205 V207 I285 A287 D289 V294 A300	R205-W292 HydrophobicContact CB-CD2 4.25Å; R205-W292 HydrophobicContact CB-CG 4.19Å; R205-W292 HydrophobicContact CB-CZ2 4.38Å; R205-W292 PolarHBondContact O-NE1 3.3Å; V207-W292 HydrophobicContact CB-CH2 4.07Å; V207-W292 HydrophobicContact CG2-CH2 3.64Å; V207-W292 HydrophobicContact CG2-CZ2 4.09Å; V207-W292 HydrophobicContact CG2-CZ3 4.03Å; I285-W292 HydrophobicContact CB-CH2 4.25Å; I285-W292 HydrophobicContact CG2-CH2 3.77Å; I285-W292 HydrophobicContact CG2-CZ2 3.93Å; A287-W292 HydrophobicContact CB-CZ2 3.92Å; A287-W292 PolarHBondContact O-NE1 2.53Å; D289-W292 PolarHBondContact O-N 2.7Å; W292-V294 PolarHBondContact O-N 2.82Å; W292-A300 HydrophobicContact CH2-CB 4.19Å; W292-A300 HydrophobicContact CZ3-CB 3.69Å
293	D	97.5	Very high	98.5	Very high	108 Å²	108	26.7 Å²	26.7	58%	0.578	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.9	175.8	-87.1	4.8	0	0	0	112.6	D289 L291	D289-D293 WeakPolarHBondContact O-CB 3.25Å; D289-D293 PolarHBondContact O-N 2.98Å; L291-D293 VanDerWaalsContact C-N 3.32Å; L291-D293 PolarHBondContact O-N 2.72Å
294	V	98.3	Very high	98.5	Very high	38 Å²	38	26.7 Å²	26.7	23%	0.23	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-17.4	-176.3	-60	0	0	0	0	114.2	L291 W292 A344 K347	L291-V294 PolarHBondContact O-N 2.97Å; W292-V294 PolarHBondContact O-N 2.82Å; V294-A344 HydrophobicContact CG2-CB 3.89Å; V294-K347 HydrophobicContact CB-CB 3.87Å; V294-K347 HydrophobicContact CB-CD 4.35Å; V294-K347 HydrophobicContact CG2-CB 3.98Å; V294-K347 WeakPolarHBondContact O-CD 3.43Å; V294-K347 PolarHBondContact O-NZ 3.38Å
295	V	98.6	Very high	98.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.143	C	C	.	.	S	Bend	trans	-118.7	123.7	178.2	-172.8	0	0	0	0	110	L291 E299 A300 L343 A344 K347	L291-V295 HydrophobicContact CD1-CB 3.88Å; L291-V295 HydrophobicContact CD1-CG1 4.45Å; L291-V295 HydrophobicContact CD1-CG2 3.68Å; L291-V295 HydrophobicContact CG-CB 4.34Å; L291-V295 WeakPolarHBondContact O-CB 3.3Å; L291-V295 PolarHBondContact O-N 3.1Å; V295-E299 HydrophobicContact CG1-CB 3.9Å; V295-E299 HydrophobicContact CG1-CG 4Å; V295-A300 HydrophobicContact CG1-CB 3.96Å; V295-L343 HydrophobicContact CG1-CD2 4.15Å; V295-L343 HydrophobicContact CG2-CD2 4.18Å; V295-L343 HydrophobicContact CG2-CG 4.09Å; V295-A344 HydrophobicContact CG2-CB 4.42Å; V295-K347 HydrophobicContact CG2-CD 4.2Å
296	S	98.6	Very high	98.3	Very high	53 Å²	53	35.7 Å²	35.7	37%	0.371	17%	0.171	S	C	.	.			trans	-72.3	161.1	176	86.1	0	0	0	0	111.9	E298 E299 A300	S296-E298 VanDerWaalsContact C-N 3.28Å; S296-E298 VanDerWaalsContact CB-OE2 3.27Å; S296-E298 WeakPolarHBondContact CB-OE2 3.5Å; S296-E298 PolarHBondContact O-N 2.99Å; S296-E298 PolarHBondContact OG-OE2 3.45Å; S296-E299 PolarHBondContact O-N 3Å; S296-E299 PolarHBondContact OG-N 3.43Å; S296-A300 WeakPolarHBondContact O-CB 3.39Å; S296-A300 PolarHBondContact O-N 3.4Å
297	N	98.7	Very high	98.3	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-56.6	-42.4	178.4	-64	-15.7	0	0	0	111.7	R205 V207 P214 E216 A300 C301	R205-N297 PolarHBondContact NH1-OD1 2.9Å; V207-N297 HydrophobicContact CG1-CB 4.21Å; V207-N297 HydrophobicContact CG2-CB 4.43Å; P214-N297 HydrophobicContact CB-CB 3.83Å; P214-N297 HydrophobicContact CG-CB 4.23Å; E216-N297 WeakPolarHBondContact CG-ND2 3.43Å; E216-N297 PolarHBondContact OE1-ND2 3.49Å; N297-A300 PolarHBondContact O-N 3.09Å; N297-C301 WeakPolarHBondContact O-CB 3.28Å; N297-C301 PolarHBondContact O-N 2.98Å; N297-C301 PolarHBondContact O-SG 2.93Å; N297-C301 VanDerWaalsContact O-SG 3.4Å
298	E	98.6	Very high	98.1	Very high	104 Å²	104	37.9 Å²	37.9	49%	0.486	18%	0.181	S	C	.	.	H	α-helix	trans	-63.5	-44.3	178.7	-56.1	70.2	-156.6	0	0	111.7	P214 S296 K302	P214-E298 HydrophobicContact CG-CB 4.44Å; P214-E298 HydrophobicContact CG-CG 3.88Å; S296-E298 VanDerWaalsContact C-N 3.28Å; S296-E298 VanDerWaalsContact CB-OE2 3.27Å; S296-E298 WeakPolarHBondContact CB-OE2 3.5Å; S296-E298 PolarHBondContact O-N 2.99Å; S296-E298 PolarHBondContact OG-OE2 3.45Å; E298-K302 WeakPolarHBondContact O-CB 3.3Å; E298-K302 PolarHBondContact O-N 3.27Å
299	E	98.4	Very high	97.9	Very high	65 Å²	65	43.1 Å²	43.1	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-67.9	-42.8	-179.7	-173.1	175.5	-173.4	0	0	111.1	V295 S296 K302 A303 L343 K347	V295-E299 HydrophobicContact CG1-CB 3.9Å; V295-E299 HydrophobicContact CG1-CG 4Å; S296-E299 PolarHBondContact O-N 3Å; S296-E299 PolarHBondContact OG-N 3.43Å; E299-K302 PolarHBondContact O-N 3.3Å; E299-A303 WeakPolarHBondContact O-CB 3.16Å; E299-A303 PolarHBondContact O-N 3.35Å; E299-L343 HydrophobicContact CG-CD2 4.16Å; E299-K347 VanDerWaalsContact OE1-CE 3.25Å; E299-K347 WeakPolarHBondContact OE1-CE 3.35Å; E299-K347 IonicContact OE1-NZ 3.45Å; E299-K347 VanDerWaalsContact OE2-CE 3.29Å; E299-K347 WeakPolarHBondContact OE2-CE 3.44Å; E299-K347 IonicContact OE2-NZ 3.68Å; E299-K347 PolarHBondContact OE2-NZ 3.46Å
300	A	98.7	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-51.8	177	0	0	0	0	0	111.4	I285 W292 V295 S296 N297 K302 A303 A304 L340	I285-A300 HydrophobicContact CD1-CB 4.1Å; W292-A300 HydrophobicContact CH2-CB 4.19Å; W292-A300 HydrophobicContact CZ3-CB 3.69Å; V295-A300 HydrophobicContact CG1-CB 3.96Å; S296-A300 WeakPolarHBondContact O-CB 3.39Å; S296-A300 PolarHBondContact O-N 3.4Å; N297-A300 PolarHBondContact O-N 3.09Å; A300-K302 PolarHBondContact O-N 3.08Å; A300-A303 PolarHBondContact O-N 3Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.39Å; A300-L340 HydrophobicContact CB-CD2 4.09Å
301	C	98.5	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-44.4	177.9	-75	0	0	0	0	112.4	C209 N297 R305	C209-C301 HydrophobicContact CB-CB 3.85Å; N297-C301 WeakPolarHBondContact O-CB 3.28Å; N297-C301 PolarHBondContact O-N 2.98Å; N297-C301 PolarHBondContact O-SG 2.93Å; N297-C301 VanDerWaalsContact O-SG 3.4Å; C301-R305 VanDerWaalsContact O-CB 3.27Å; C301-R305 WeakPolarHBondContact O-CB 3.41Å; C301-R305 PolarHBondContact O-N 3.46Å; C301-R305 VanDerWaalsContact O-N 3.09Å
302	K	98.4	Very high	97.3	Very high	136 Å²	136	49.1 Å²	49.1	59%	0.591	23%	0.233	S	C	*	.	H	α-helix	trans	-63.3	-42.8	177.4	-178.1	179	-179.6	178.1	0	111.9	E298 E299 A300 R306	E298-K302 WeakPolarHBondContact O-CB 3.3Å; E298-K302 PolarHBondContact O-N 3.27Å; E299-K302 PolarHBondContact O-N 3.3Å; A300-K302 PolarHBondContact O-N 3.08Å; K302-R306 WeakPolarHBondContact O-CB 3.22Å; K302-R306 PolarHBondContact O-N 3.15Å; K302-R306 VanDerWaalsContact O-N 3.12Å
303	A	98.3	Very high	97	Very high	11 Å²	11	56.4 Å²	56.4	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-52.1	178.8	0	0	0	0	0	111.2	E299 A300 R305 R306 Q307 Y339 L340 L343	E299-A303 WeakPolarHBondContact O-CB 3.16Å; E299-A303 PolarHBondContact O-N 3.35Å; A300-A303 PolarHBondContact O-N 3Å; A303-R305 PolarHBondContact O-N 3.25Å; A303-R306 PolarHBondContact O-N 2.88Å; A303-Q307 WeakPolarHBondContact O-CG 3.3Å; A303-Q307 PolarHBondContact O-N 3.41Å; A303-Y339 HydrophobicContact CB-CD1 3.97Å; A303-Y339 HydrophobicContact CB-CE1 3.82Å; A303-L340 HydrophobicContact CB-CD2 3.83Å; A303-L343 HydrophobicContact CB-CD2 4.49Å
304	A	98.4	Very high	96.7	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-53.6	-179.3	0	0	0	0	0	111.8	I285 A300 R306 Q307 I308 A336 L340 V357	I285-A304 HydrophobicContact CD1-CB 3.77Å; I285-A304 HydrophobicContact CG1-CB 4.32Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.39Å; A304-R306 VanDerWaalsContact C-N 3.31Å; A304-R306 PolarHBondContact O-N 2.98Å; A304-Q307 PolarHBondContact O-N 2.79Å; A304-Q307 VanDerWaalsContact O-N 3.15Å; A304-I308 WeakPolarHBondContact O-CG1 3.45Å; A304-I308 PolarHBondContact O-N 3.49Å; A304-A336 HydrophobicContact CB-CB 4.34Å; A304-L340 HydrophobicContact CB-CD1 4.19Å; A304-V357 HydrophobicContact CB-CG1 4.38Å
305	R	96.9	Very high	96.3	Very high	38 Å²	38	59.1 Å²	59.1	14%	0.143	28%	0.278	C	S	.	.	H	α-helix	trans	-56.1	-44.4	177.8	-177.9	-176.2	66.4	-122.9	6.2	112	C209 K212 D282 C301 A303 Q309	C209-R305 PolarHBondContact SG-NH1 2.86Å; C209-R305 VanDerWaalsContact SG-NH1 3.38Å; K212-R305 PolarHBondContact O-NH1 3.18Å; D282-R305 HydrophobicContact CB-CG 4.34Å; D282-R305 VanDerWaalsContact OD2-CD 3.31Å; D282-R305 WeakPolarHBondContact OD2-CD 3.29Å; C301-R305 VanDerWaalsContact O-CB 3.27Å; C301-R305 WeakPolarHBondContact O-CB 3.41Å; C301-R305 PolarHBondContact O-N 3.46Å; C301-R305 VanDerWaalsContact O-N 3.09Å; A303-R305 PolarHBondContact O-N 3.25Å; R305-Q309 WeakPolarHBondContact O-CB 3.41Å; R305-Q309 VanDerWaalsContact O-CG 3.24Å; R305-Q309 WeakPolarHBondContact O-CG 3.46Å; R305-Q309 PolarHBondContact O-N 3.17Å; R305-Q309 VanDerWaalsContact O-N 3.08Å
306	R	97	Very high	95.1	Very high	151 Å²	151	60.4 Å²	60.4	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-64.7	-41.4	179.5	-177.5	179.7	179.3	-176.4	0.3	111.5	K302 A303 A304 Q309 L310	K302-R306 WeakPolarHBondContact O-CB 3.22Å; K302-R306 PolarHBondContact O-N 3.15Å; K302-R306 VanDerWaalsContact O-N 3.12Å; A303-R306 PolarHBondContact O-N 2.88Å; A304-R306 VanDerWaalsContact C-N 3.31Å; A304-R306 PolarHBondContact O-N 2.98Å; R306-Q309 PolarHBondContact O-N 3.17Å; R306-L310 HydrophobicContact CG-CD1 3.86Å; R306-L310 HydrophobicContact CG-CG 4.22Å; R306-L310 WeakPolarHBondContact O-CB 3.47Å; R306-L310 WeakPolarHBondContact O-CG 3.47Å; R306-L310 PolarHBondContact O-N 2.95Å
307	Q	97.5	Very high	93.4	Very high	35 Å²	35	63.2 Å²	63.2	16%	0.164	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-43.3	179.7	-67.6	-55.3	-26.8	0	0	112.1	A303 A304 Q309 L310 W311 A336 Y339	A303-Q307 WeakPolarHBondContact O-CG 3.3Å; A303-Q307 PolarHBondContact O-N 3.41Å; A304-Q307 PolarHBondContact O-N 2.79Å; A304-Q307 VanDerWaalsContact O-N 3.15Å; Q307-Q309 VanDerWaalsContact C-N 3.34Å; Q307-Q309 PolarHBondContact O-N 2.72Å; Q307-L310 PolarHBondContact O-N 3.26Å; Q307-W311 WeakPolarHBondContact O-CB 3.24Å; Q307-W311 PolarHBondContact O-N 2.65Å; Q307-A336 HydrophobicContact CB-CB 3.93Å; Q307-Y339 HydrophobicContact CG-CD1 3.83Å; Q307-Y339 HydrophobicContact CG-CD2 4.24Å; Q307-Y339 HydrophobicContact CG-CG 3.63Å; Q307-Y339 VanDerWaalsContact NE2-CE2 3.3Å
308	I	95.9	Very high	91.1	Very high	12 Å²	12	69 Å²	69	6%	0.062	34%	0.342	C	S	.	.	H	α-helix	trans	-57.9	-48.1	174.6	-66.2	167.6	0	0	0	110.4	C283 A304 L310 W311 H312 A332 A336 V357 D359	C283-I308 HydrophobicContact CB-CD1 4.06Å; A304-I308 WeakPolarHBondContact O-CG1 3.45Å; A304-I308 PolarHBondContact O-N 3.49Å; I308-L310 PolarHBondContact O-N 2.87Å; I308-W311 PolarHBondContact O-N 2.96Å; I308-H312 PolarHBondContact O-CD2 2.96Å; I308-H312 PolarHBondContact O-N 3.47Å; I308-H312 VanDerWaalsContact O-N 3.08Å; I308-A332 HydrophobicContact CG2-CB 4.26Å; I308-A336 HydrophobicContact CD1-CB 4.44Å; I308-A336 HydrophobicContact CG1-CB 3.95Å; I308-V357 HydrophobicContact CD1-CG1 4.1Å; I308-D359 HydrophobicContact CD1-CB 4.23Å
309	Q	94.3	Very high	88.6	Confident	110 Å²	110	68.1 Å²	68.1	51%	0.514	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-42.4	178.7	-71.9	172.7	-3.1	0	0	113	R305 R306 Q307 H312 K313	R305-Q309 WeakPolarHBondContact O-CB 3.41Å; R305-Q309 VanDerWaalsContact O-CG 3.24Å; R305-Q309 WeakPolarHBondContact O-CG 3.46Å; R305-Q309 PolarHBondContact O-N 3.17Å; R305-Q309 VanDerWaalsContact O-N 3.08Å; R306-Q309 PolarHBondContact O-N 3.17Å; Q307-Q309 VanDerWaalsContact C-N 3.34Å; Q307-Q309 PolarHBondContact O-N 2.72Å; Q309-H312 PolarHBondContact O-N 2.89Å; Q309-K313 WeakPolarHBondContact O-CB 3.36Å; Q309-K313 PolarHBondContact O-N 3.21Å
310	L	95.1	Very high	86	Confident	57 Å²	57	66.7 Å²	66.7	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-41	177.2	-76.5	174	0	0	0	111.5	R306 Q307 I308 K313 N314	R306-L310 HydrophobicContact CG-CD1 3.86Å; R306-L310 HydrophobicContact CG-CG 4.22Å; R306-L310 WeakPolarHBondContact O-CB 3.47Å; R306-L310 WeakPolarHBondContact O-CG 3.47Å; R306-L310 PolarHBondContact O-N 2.95Å; Q307-L310 PolarHBondContact O-N 3.26Å; I308-L310 PolarHBondContact O-N 2.87Å; L310-K313 PolarHBondContact O-N 2.82Å; L310-N314 WeakPolarHBondContact O-CB 3.45Å; L310-N314 VanDerWaalsContact O-CG 3.27Å; L310-N314 PolarHBondContact O-N 3.27Å
311	W	94.9	Very high	83.3	Confident	44 Å²	44	75.4 Å²	75.4	17%	0.167	39%	0.39	C	S	.	.	H	α-helix	trans	-60.8	-48.2	177.3	-169.5	99.3	0	0	0	110.9	Q307 I308 K313 N314 N315 P331 A332	Q307-W311 WeakPolarHBondContact O-CB 3.24Å; Q307-W311 PolarHBondContact O-N 2.65Å; I308-W311 PolarHBondContact O-N 2.96Å; W311-K313 VanDerWaalsContact C-N 3.33Å; W311-K313 PolarHBondContact O-N 3.33Å; W311-N314 PolarHBondContact O-N 3.04Å; W311-N315 HydrophobicContact CD2-CB 4.31Å; W311-N315 VanDerWaalsContact CE2-ND2 3.3Å; W311-N315 HydrophobicContact CE3-CB 4.27Å; W311-N315 HydrophobicContact CH2-CB 3.86Å; W311-N315 HydrophobicContact CZ2-CB 3.85Å; W311-N315 HydrophobicContact CZ3-CB 4.07Å; W311-N315 PolarHBondContact NE1-ND2 3.25Å; W311-N315 WeakPolarHBondContact O-CB 3.35Å; W311-N315 PolarHBondContact O-N 2.89Å; W311-N315 PolarHBondContact O-ND2 3.33Å; W311-P331 HydrophobicContact CD2-CB 4.45Å; W311-P331 HydrophobicContact CH2-CB 4.04Å; W311-P331 HydrophobicContact CH2-CG 4.41Å; W311-P331 HydrophobicContact CZ2-CB 3.31Å; W311-P331 HydrophobicContact CZ2-CG 4Å; W311-A332 HydrophobicContact CB-CB 3.87Å; W311-A332 HydrophobicContact CD2-CB 3.71Å; W311-A332 HydrophobicContact CE3-CB 3.56Å; W311-A332 HydrophobicContact CG-CB 3.83Å; W311-A332 HydrophobicContact CZ3-CB 4.4Å
312	H	92	Very high	80.4	Confident	44 Å²	44	79.1 Å²	79.1	20%	0.204	42%	0.415	C	S	.	.	H	α-helix	trans	-63.8	-36.2	176.7	-79.6	-50.8	0	0	0	113.5	I308 Q309 N314 G316 R363	I308-H312 PolarHBondContact O-CD2 2.96Å; I308-H312 PolarHBondContact O-N 3.47Å; I308-H312 VanDerWaalsContact O-N 3.08Å; Q309-H312 PolarHBondContact O-N 2.89Å; H312-N314 VanDerWaalsContact C-N 3.33Å; H312-G316 WeakPolarHBondContact O-CA 3.26Å; H312-G316 PolarHBondContact O-N 3.13Å; H312-G316 VanDerWaalsContact O-N 3.12Å; H312-R363 PolarHBondContact CE1-NH2 3.5Å
313	K	91.7	Very high	77.4	Confident	169 Å²	169	79.6 Å²	79.6	74%	0.735	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-38.8	175.1	-176.9	-178.7	176.2	-176.7	0	112.1	Q309 L310 W311	Q309-K313 WeakPolarHBondContact O-CB 3.36Å; Q309-K313 PolarHBondContact O-N 3.21Å; L310-K313 PolarHBondContact O-N 2.82Å; W311-K313 VanDerWaalsContact C-N 3.33Å; W311-K313 PolarHBondContact O-N 3.33Å
314	N	92.4	Very high	74.5	Confident	121 Å²	121	86.5 Å²	86.5	65%	0.647	46%	0.455	S	S	*	.	H	α-helix	trans	-87.1	-29.7	-173.1	-68.5	-9.7	0	0	0	113.6	L310 W311 H312	L310-N314 WeakPolarHBondContact O-CB 3.45Å; L310-N314 VanDerWaalsContact O-CG 3.27Å; L310-N314 PolarHBondContact O-N 3.27Å; W311-N314 PolarHBondContact O-N 3.04Å; H312-N314 VanDerWaalsContact C-N 3.33Å
315	N	90.4	Very high	71.7	Confident	82 Å²	82	88.7 Å²	88.7	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-107	-6.2	-174.5	-59.6	-77.3	0	0	0	113.5	W311	W311-N315 HydrophobicContact CD2-CB 4.31Å; W311-N315 VanDerWaalsContact CE2-ND2 3.3Å; W311-N315 HydrophobicContact CE3-CB 4.27Å; W311-N315 HydrophobicContact CH2-CB 3.86Å; W311-N315 HydrophobicContact CZ2-CB 3.85Å; W311-N315 HydrophobicContact CZ3-CB 4.07Å; W311-N315 PolarHBondContact NE1-ND2 3.25Å; W311-N315 WeakPolarHBondContact O-CB 3.35Å; W311-N315 PolarHBondContact O-N 2.89Å; W311-N315 PolarHBondContact O-ND2 3.33Å
316	G	71.7	Confident	69	Low	28 Å²	28	92.9 Å²	92.9	29%	0.289	50%	0.502	S	S	.	.			trans	68.8	170	-171	0	0	0	0	0	112.6	H312 T318	H312-G316 WeakPolarHBondContact O-CA 3.26Å; H312-G316 PolarHBondContact O-N 3.13Å; H312-G316 VanDerWaalsContact O-N 3.12Å; G316-T318 PolarHBondContact O-N 3Å
317	V	63.1	Low	67.1	Low	112 Å²	112	93.2 Å²	93.2	68%	0.679	51%	0.51	S	S	*	.	S	Bend	trans	-82.4	2.4	179	-173.2	0	0	0	0	111.5
318	T	50.8	Low	65.8	Low	130 Å²	130	94.6 Å²	94.6	80%	0.798	52%	0.524	S	S	*	.			trans	-93.6	7.4	-163.5	36.7	0	0	0	0	116	G316	G316-T318 PolarHBondContact O-N 3Å
319	S	45.9	Very low	65.3	Low	86 Å²	86	97 Å²	97	60%	0.601	54%	0.537	S	S	*	.	S	Bend	trans	-118.7	22.9	-170.6	-159.6	0	0	0	0	117.1
320	S	44.9	Very low	65.2	Low	35 Å²	35	92.3 Å²	92.3	25%	0.245	52%	0.515	C	S	.	.			trans	-134.7	35.1	171.3	86	0	0	0	0	114.2	C322 R363	S320-C322 PolarHBondContact O-N 3.14Å; S320-C322 VanDerWaalsContact O-N 3.16Å; S320-R363 PolarHBondContact OG-NH1 3.18Å
321	L	40.9	Very low	65.2	Low	183 Å²	183	92.3 Å²	92.3	96%	0.958	52%	0.519	S	S	*	.			trans	-79.9	54.4	151.6	-69	168.8	0	0	0	107.9
322	C	36.9	Very low	65.2	Low	78 Å²	78	90.2 Å²	90.2	53%	0.527	51%	0.511	S	S	.	.			trans	-86.6	138	156.8	34.9	0	0	0	0	106.2	S320	S320-C322 PolarHBondContact O-N 3.14Å; S320-C322 VanDerWaalsContact O-N 3.16Å
323	D	36	Very low	65.5	Low	145 Å²	145	88.1 Å²	88.1	78%	0.775	50%	0.501	S	S	*	.			trans	-32.1	136.5	-169	-96.5	-43.2	0	0	0	115.2	G325 D326	D323-G325 PolarHBondContact O-N 3.3Å; D323-D326 PolarHBondContact O-N 3.21Å
324	E	37.1	Very low	65.8	Low	157 Å²	157	81.7 Å²	81.7	73%	0.734	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	85.2	165.2	-69	-162.5	164.2	0	0	108.8	K365	E324-K365 IonicContact OE1-NZ 3.98Å; E324-K365 PolarHBondContact OE1-NZ 2.97Å
325	G	39.3	Very low	66	Low	46 Å²	46	77.1 Å²	77.1	47%	0.474	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	159.8	-25	-177.4	0	0	0	0	0	117.7	D323	D323-G325 PolarHBondContact O-N 3.3Å
326	D	41.9	Very low	66.4	Low	126 Å²	126	73.2 Å²	73.2	67%	0.674	43%	0.432	S	S	*	.			trans	-85.7	130	-170.9	-139.9	-2.9	0	0	0	111.9	D323 S328	D323-D326 PolarHBondContact O-N 3.21Å; D326-S328 PolarHBondContact O-N 3.44Å
327	E	55.3	Low	67.7	Low	157 Å²	157	71.9 Å²	71.9	73%	0.734	42%	0.418	S	S	*	.			trans	-64.4	13.6	-175.6	-65.4	-178.8	143.8	0	0	114.1
328	S	71.6	Confident	69.3	Low	65 Å²	65	69 Å²	69	46%	0.455	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-77.5	140.5	-170.6	67.6	0	0	0	0	113.3	D326	D326-S328 PolarHBondContact O-N 3.44Å
329	N	84.5	Confident	71.6	Confident	63 Å²	63	66.7 Å²	66.7	34%	0.337	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-59.2	142.9	175.5	-58.1	-0.9	0	0	0	111.4	W45 Q334	W45-N329 WeakPolarHBondContact CH2-OD1 3.48Å; W45-N329 VanDerWaalsContact CZ2-OD1 3.25Å; W45-N329 WeakPolarHBondContact CZ2-OD1 3.42Å; W45-N329 WeakPolarHBondContact CZ3-OD1 3.39Å; W45-N329 CarbonylContact O-C 3.51Å; W45-N329 WeakPolarHBondContact O-CA 3.49Å; N329-Q334 PolarHBondContact ND2-OE1 3.48Å
330	D	93.2	Very high	74.1	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.053	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-72.3	127.5	169.4	176	78.8	0	0	0	110.4	V44 W45 A332 A333 Q334 R363	V44-D330 HydrophobicContact CB-CB 4.48Å; V44-D330 HydrophobicContact CG1-CB 3.46Å; V44-D330 VanDerWaalsContact CG1-CB 3.46Å; W45-D330 PolarHBondContact O-N 2.92Å; D330-A332 VanDerWaalsContact C-N 3.28Å; D330-A332 PolarHBondContact O-N 3.07Å; D330-A332 WeakPolarHBondContact OD2-CA 3.46Å; D330-A332 WeakPolarHBondContact OD2-CB 3.07Å; D330-A332 PolarHBondContact OD2-N 2.91Å; D330-A333 HydrophobicContact CB-CB 4.15Å; D330-A333 PolarHBondContact O-N 2.89Å; D330-A333 PolarHBondContact OD2-N 3.26Å; D330-Q334 VanDerWaalsContact O-CB 3.3Å; D330-Q334 WeakPolarHBondContact O-CB 3.47Å; D330-Q334 PolarHBondContact O-N 2.84Å; D330-R363 IonicContact OD1-CZ 3.57Å; D330-R363 VanDerWaalsContact OD1-CZ 3.31Å; D330-R363 IonicContact OD1-NH1 3.67Å; D330-R363 PolarHBondContact OD1-NH1 3.33Å; D330-R363 VanDerWaalsContact OD1-NH1 3.14Å; D330-R363 IonicContact OD1-NH2 3.54Å; D330-R363 PolarHBondContact OD1-NH2 2.95Å; D330-R363 IonicContact OD2-NH2 3.83Å
331	P	94.4	Very high	76.7	Confident	58 Å²	58	62.4 Å²	62.4	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-29.8	-177.2	-28.3	36.6	0	0	0	115.3	W311 A335	W311-P331 HydrophobicContact CD2-CB 4.45Å; W311-P331 HydrophobicContact CH2-CB 4.04Å; W311-P331 HydrophobicContact CH2-CG 4.41Å; W311-P331 HydrophobicContact CZ2-CB 3.31Å; W311-P331 HydrophobicContact CZ2-CG 4Å; P331-A335 WeakPolarHBondContact O-CB 3.27Å; P331-A335 PolarHBondContact O-N 2.94Å
332	A	95.9	Very high	79.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-74.3	-45.4	179.5	0	0	0	0	0	110.8	I308 W311 D330 Q334 A335 A336	I308-A332 HydrophobicContact CG2-CB 4.26Å; W311-A332 HydrophobicContact CB-CB 3.87Å; W311-A332 HydrophobicContact CD2-CB 3.71Å; W311-A332 HydrophobicContact CE3-CB 3.56Å; W311-A332 HydrophobicContact CG-CB 3.83Å; W311-A332 HydrophobicContact CZ3-CB 4.4Å; D330-A332 VanDerWaalsContact C-N 3.28Å; D330-A332 PolarHBondContact O-N 3.07Å; D330-A332 WeakPolarHBondContact OD2-CA 3.46Å; D330-A332 WeakPolarHBondContact OD2-CB 3.07Å; D330-A332 PolarHBondContact OD2-N 2.91Å; A332-Q334 VanDerWaalsContact C-N 3.35Å; A332-A335 PolarHBondContact O-N 3.42Å; A332-A336 PolarHBondContact O-N 3.33Å
333	A	97.2	Very high	82.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-38.1	174	0	0	0	0	0	111.7	D330 A336 A337	D330-A333 HydrophobicContact CB-CB 4.15Å; D330-A333 PolarHBondContact O-N 2.89Å; D330-A333 PolarHBondContact OD2-N 3.26Å; A333-A336 WeakPolarHBondContact O-CB 3.16Å; A333-A336 PolarHBondContact O-N 3.38Å; A333-A337 PolarHBondContact O-N 3.11Å
334	Q	97.5	Very high	85.3	Confident	34 Å²	34	51 Å²	51	16%	0.159	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-46.2	174	-173	61.9	46.1	0	0	111.6	C47 N329 D330 A332 A336 A337 D338	C47-Q334 PolarHBondContact O-NE2 3.49Å; C47-Q334 PolarHBondContact O-OE1 3.07Å; N329-Q334 PolarHBondContact ND2-OE1 3.48Å; D330-Q334 VanDerWaalsContact O-CB 3.3Å; D330-Q334 WeakPolarHBondContact O-CB 3.47Å; D330-Q334 PolarHBondContact O-N 2.84Å; A332-Q334 VanDerWaalsContact C-N 3.35Å; Q334-A336 PolarHBondContact O-N 3.3Å; Q334-A337 PolarHBondContact O-N 2.8Å; Q334-A337 VanDerWaalsContact O-N 3.17Å; Q334-D338 PolarHBondContact NE2-OD1 2.69Å; Q334-D338 WeakPolarHBondContact O-CB 3.4Å; Q334-D338 PolarHBondContact O-N 2.71Å
335	A	97.4	Very high	88.2	Confident	24 Å²	24	45.8 Å²	45.8	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-32.9	177.1	0	0	0	0	0	112.6	P331 A332 Y339	P331-A335 WeakPolarHBondContact O-CB 3.27Å; P331-A335 PolarHBondContact O-N 2.94Å; A332-A335 PolarHBondContact O-N 3.42Å; A335-Y339 VanDerWaalsContact O-CB 3.3Å; A335-Y339 WeakPolarHBondContact O-CB 2.93Å; A335-Y339 PolarHBondContact O-N 3.17Å; A335-Y339 VanDerWaalsContact O-N 3.13Å
336	A	98.4	Very high	91	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.6	-47.9	173.3	0	0	0	0	0	112.3	A304 Q307 I308 A332 A333 Q334 Y339 L340 V357	A304-A336 HydrophobicContact CB-CB 4.34Å; Q307-A336 HydrophobicContact CB-CB 3.93Å; I308-A336 HydrophobicContact CD1-CB 4.44Å; I308-A336 HydrophobicContact CG1-CB 3.95Å; A332-A336 PolarHBondContact O-N 3.33Å; A333-A336 WeakPolarHBondContact O-CB 3.16Å; A333-A336 PolarHBondContact O-N 3.38Å; Q334-A336 PolarHBondContact O-N 3.3Å; A336-Y339 PolarHBondContact O-N 3.08Å; A336-L340 WeakPolarHBondContact O-CG 3.49Å; A336-L340 PolarHBondContact O-N 3.02Å; A336-V357 HydrophobicContact CB-CB 4.42Å; A336-V357 HydrophobicContact CB-CG1 4.07Å; A336-V357 HydrophobicContact CB-CG2 4.25Å
337	A	98.6	Very high	93.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-47.9	176.4	0	0	0	0	0	111.7	A48 A333 Q334 Y339 L340 M341 V357	A48-A337 HydrophobicContact CB-CB 3.82Å; A333-A337 PolarHBondContact O-N 3.11Å; Q334-A337 PolarHBondContact O-N 2.8Å; Q334-A337 VanDerWaalsContact O-N 3.17Å; A337-Y339 VanDerWaalsContact C-N 3.25Å; A337-Y339 PolarHBondContact O-N 3.31Å; A337-L340 PolarHBondContact O-N 3.36Å; A337-M341 PolarHBondContact O-N 3.35Å; A337-V357 HydrophobicContact CB-CG2 4.02Å
338	D	98.4	Very high	95.7	Very high	53 Å²	53	45 Å²	45	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-61.4	-33.5	177.6	-69.7	-22.1	0	0	0	112.5	A48 Q334 R342	A48-D338 WeakPolarHBondContact CB-OD1 3.39Å; Q334-D338 PolarHBondContact NE2-OD1 2.69Å; Q334-D338 WeakPolarHBondContact O-CB 3.4Å; Q334-D338 PolarHBondContact O-N 2.71Å; D338-R342 WeakPolarHBondContact O-CB 3.36Å; D338-R342 VanDerWaalsContact O-CG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.48Å; D338-R342 PolarHBondContact O-N 2.68Å; D338-R342 VanDerWaalsContact O-N 3.14Å; D338-R342 PolarHBondContact O-NE 2.97Å
339	Y	98.6	Very high	97	Very high	81 Å²	81	42.3 Å²	42.3	32%	0.318	21%	0.211	S	C	.	.	H	α-helix	trans	-72.7	-43.4	177.1	-175.6	-93.9	0	0	0	111.8	A303 Q307 A335 A336 A337 R342 L343	A303-Y339 HydrophobicContact CB-CD1 3.97Å; A303-Y339 HydrophobicContact CB-CE1 3.82Å; Q307-Y339 HydrophobicContact CG-CD1 3.83Å; Q307-Y339 HydrophobicContact CG-CD2 4.24Å; Q307-Y339 HydrophobicContact CG-CG 3.63Å; Q307-Y339 VanDerWaalsContact NE2-CE2 3.3Å; A335-Y339 VanDerWaalsContact O-CB 3.3Å; A335-Y339 WeakPolarHBondContact O-CB 2.93Å; A335-Y339 PolarHBondContact O-N 3.17Å; A335-Y339 VanDerWaalsContact O-N 3.13Å; A336-Y339 PolarHBondContact O-N 3.08Å; A337-Y339 VanDerWaalsContact C-N 3.25Å; A337-Y339 PolarHBondContact O-N 3.31Å; Y339-R342 PolarHBondContact O-N 3.38Å; Y339-L343 HydrophobicContact CE1-CD2 4.41Å; Y339-L343 VanDerWaalsContact O-CB 3.3Å; Y339-L343 WeakPolarHBondContact O-CB 3.36Å; Y339-L343 PolarHBondContact O-N 2.81Å
340	L	98.7	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-46.2	176.1	-72.6	175.1	0	0	0	111.3	I285 L291 A300 A303 A304 A336 A337 R342 L343 A344 V355 V357	I285-L340 HydrophobicContact CD1-CD1 4.16Å; I285-L340 HydrophobicContact CG2-CD1 4.14Å; L291-L340 HydrophobicContact CD1-CB 4.23Å; A300-L340 HydrophobicContact CB-CD2 4.09Å; A303-L340 HydrophobicContact CB-CD2 3.83Å; A304-L340 HydrophobicContact CB-CD1 4.19Å; A336-L340 WeakPolarHBondContact O-CG 3.49Å; A336-L340 PolarHBondContact O-N 3.02Å; A337-L340 PolarHBondContact O-N 3.36Å; L340-R342 PolarHBondContact O-N 3.19Å; L340-L343 WeakPolarHBondContact O-CB 3.45Å; L340-L343 PolarHBondContact O-N 3.27Å; L340-L343 VanDerWaalsContact O-N 3.15Å; L340-A344 PolarHBondContact O-N 2.92Å; L340-V355 HydrophobicContact CB-CG1 4.12Å; L340-V355 HydrophobicContact CB-CG2 4.44Å; L340-V355 HydrophobicContact CD1-CG1 3.72Å; L340-V357 HydrophobicContact CD1-CG2 3.88Å
341	M	98.6	Very high	97.7	Very high	31 Å²	31	47.4 Å²	47.4	15%	0.153	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-47.6	174.6	-178.3	-172.2	68.3	0	0	111.7	A48 T50 A337 L343 A344 L345 I353	A48-M341 HydrophobicContact CB-CB 4.08Å; A48-M341 HydrophobicContact CB-CE 4.32Å; A48-M341 HydrophobicContact CB-SD 3.89Å; T50-M341 HydrophobicContact CG2-CG 3.63Å; T50-M341 HydrophobicContact CG2-SD 3.39Å; T50-M341 WeakPolarHBondContact CG2-SD 3.28Å; A337-M341 PolarHBondContact O-N 3.35Å; M341-L343 VanDerWaalsContact C-N 3.34Å; M341-L343 PolarHBondContact O-N 3.43Å; M341-A344 PolarHBondContact O-N 2.89Å; M341-L345 PolarHBondContact O-N 2.89Å; M341-L345 VanDerWaalsContact O-N 3.1Å; M341-I353 HydrophobicContact CB-CG2 4.44Å; M341-I353 HydrophobicContact CG-CB 4.34Å; M341-I353 HydrophobicContact CG-CD1 4.46Å; M341-I353 HydrophobicContact CG-CG2 4.17Å
342	R	98.4	Very high	97.9	Very high	145 Å²	145	44.9 Å²	44.9	55%	0.547	22%	0.217	S	C	.	.	H	α-helix	trans	-66.7	-33.5	176.9	-75.8	-179.9	-67.6	168.4	-3.8	113.3	D338 Y339 L340 K346	D338-R342 WeakPolarHBondContact O-CB 3.36Å; D338-R342 VanDerWaalsContact O-CG 3.28Å; D338-R342 WeakPolarHBondContact O-CG 3.48Å; D338-R342 PolarHBondContact O-N 2.68Å; D338-R342 VanDerWaalsContact O-N 3.14Å; D338-R342 PolarHBondContact O-NE 2.97Å; Y339-R342 PolarHBondContact O-N 3.38Å; L340-R342 PolarHBondContact O-N 3.19Å; R342-K346 WeakPolarHBondContact O-CB 3.35Å; R342-K346 PolarHBondContact O-N 3.03Å
343	L	98.4	Very high	98	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-45.3	176.2	179.4	61.4	0	0	0	110.4	V295 E299 A303 Y339 L340 M341 K346 K347	V295-L343 HydrophobicContact CG1-CD2 4.15Å; V295-L343 HydrophobicContact CG2-CD2 4.18Å; V295-L343 HydrophobicContact CG2-CG 4.09Å; E299-L343 HydrophobicContact CG-CD2 4.16Å; A303-L343 HydrophobicContact CB-CD2 4.49Å; Y339-L343 HydrophobicContact CE1-CD2 4.41Å; Y339-L343 VanDerWaalsContact O-CB 3.3Å; Y339-L343 WeakPolarHBondContact O-CB 3.36Å; Y339-L343 PolarHBondContact O-N 2.81Å; L340-L343 WeakPolarHBondContact O-CB 3.45Å; L340-L343 PolarHBondContact O-N 3.27Å; L340-L343 VanDerWaalsContact O-N 3.15Å; M341-L343 VanDerWaalsContact C-N 3.34Å; M341-L343 PolarHBondContact O-N 3.43Å; L343-K346 PolarHBondContact O-N 3.27Å; L343-K347 HydrophobicContact CD1-CG 4.49Å; L343-K347 WeakPolarHBondContact O-CG 3.47Å; L343-K347 PolarHBondContact O-N 3.1Å
344	A	98.5	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-47.9	175.2	0	0	0	0	0	111.8	L291 V294 V295 L340 M341 K346 K347 G348 T349 I353	L291-A344 HydrophobicContact CD1-CB 3.99Å; V294-A344 HydrophobicContact CG2-CB 3.89Å; V295-A344 HydrophobicContact CG2-CB 4.42Å; L340-A344 PolarHBondContact O-N 2.92Å; M341-A344 PolarHBondContact O-N 2.89Å; A344-K346 VanDerWaalsContact C-N 3.29Å; A344-K346 PolarHBondContact O-N 3.05Å; A344-K347 CarbonylContact O-C 3.5Å; A344-K347 PolarHBondContact O-N 3.32Å; A344-G348 PolarHBondContact O-N 2.96Å; A344-T349 HydrophobicContact CB-CG2 3.92Å; A344-T349 WeakPolarHBondContact O-CG2 3.36Å; A344-T349 PolarHBondContact O-N 2.85Å; A344-I353 HydrophobicContact CB-CD1 4.06Å; A344-I353 HydrophobicContact CB-CG2 4.37Å
345	L	98	Very high	98.2	Very high	46 Å²	46	43.3 Å²	43.3	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-39.5	174.9	-73.3	171.8	0	0	0	113.3	R53 M341 K347 G348 I353	R53-L345 PolarHBondContact NH2-O 3.19Å; M341-L345 PolarHBondContact O-N 2.89Å; M341-L345 VanDerWaalsContact O-N 3.1Å; L345-K347 VanDerWaalsContact C-N 3.32Å; L345-G348 PolarHBondContact O-N 3.15Å; L345-I353 HydrophobicContact CD1-CD1 4.49Å; L345-I353 HydrophobicContact CD2-CD1 3.6Å; L345-I353 HydrophobicContact CG-CD1 3.56Å
346	K	98.1	Very high	98.2	Very high	186 Å²	186	42.1 Å²	42.1	81%	0.809	20%	0.2	S	C	*	.	H	α-helix	trans	-69	-32.4	177.9	-176.3	179.6	177.7	-175.7	0	111.9	R342 L343 A344 G348	R342-K346 WeakPolarHBondContact O-CB 3.35Å; R342-K346 PolarHBondContact O-N 3.03Å; L343-K346 PolarHBondContact O-N 3.27Å; A344-K346 VanDerWaalsContact C-N 3.29Å; A344-K346 PolarHBondContact O-N 3.05Å; K346-G348 PolarHBondContact O-N 3.42Å
347	K	98.3	Very high	98.2	Very high	90 Å²	90	42.1 Å²	42.1	39%	0.391	20%	0.2	S	C	.	.	H	α-helix	trans	-80.9	-2.6	176.8	-74	-163.9	172.6	-157	0	114.2	V294 V295 E299 L343 A344 L345	V294-K347 HydrophobicContact CB-CB 3.87Å; V294-K347 HydrophobicContact CB-CD 4.35Å; V294-K347 HydrophobicContact CG2-CB 3.98Å; V294-K347 WeakPolarHBondContact O-CD 3.43Å; V294-K347 PolarHBondContact O-NZ 3.38Å; V295-K347 HydrophobicContact CG2-CD 4.2Å; E299-K347 VanDerWaalsContact OE1-CE 3.25Å; E299-K347 WeakPolarHBondContact OE1-CE 3.35Å; E299-K347 IonicContact OE1-NZ 3.45Å; E299-K347 VanDerWaalsContact OE2-CE 3.29Å; E299-K347 WeakPolarHBondContact OE2-CE 3.44Å; E299-K347 IonicContact OE2-NZ 3.68Å; E299-K347 PolarHBondContact OE2-NZ 3.46Å; L343-K347 HydrophobicContact CD1-CG 4.49Å; L343-K347 WeakPolarHBondContact O-CG 3.47Å; L343-K347 PolarHBondContact O-N 3.1Å; A344-K347 CarbonylContact O-C 3.5Å; A344-K347 PolarHBondContact O-N 3.32Å; L345-K347 VanDerWaalsContact C-N 3.32Å
348	G	97.4	Very high	98.2	Very high	38 Å²	38	42.2 Å²	42.2	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	27.7	170.9	0	0	0	0	0	113.9	A344 L345 K346 E350	A344-G348 PolarHBondContact O-N 2.96Å; L345-G348 PolarHBondContact O-N 3.15Å; K346-G348 PolarHBondContact O-N 3.42Å; G348-E350 PolarHBondContact O-N 3.15Å
349	T	97.5	Very high	98.1	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.049	19%	0.191	C	C	.	.			trans	-60.7	135.7	162	-168.8	0	0	0	0	109.1	G290 A344 D351 I353	G290-T349 WeakPolarHBondContact O-CB 3.47Å; G290-T349 WeakPolarHBondContact O-CG2 3.38Å; G290-T349 PolarHBondContact O-OG1 3.22Å; G290-T349 VanDerWaalsContact O-OG1 3.05Å; A344-T349 HydrophobicContact CB-CG2 3.92Å; A344-T349 WeakPolarHBondContact O-CG2 3.36Å; A344-T349 PolarHBondContact O-N 2.85Å; T349-D351 PolarHBondContact OG1-N 3Å; T349-I353 HydrophobicContact CG2-CD1 3.32Å; T349-I353 HydrophobicContact CG2-CG1 3.73Å
350	E	96.4	Very high	98	Very high	118 Å²	118	36.9 Å²	36.9	55%	0.551	18%	0.178	S	C	*	.			trans	-101.6	-3.4	175.7	-65.1	-63.4	140.6	0	0	111.6	R53 S54 G348	R53-E350 VanDerWaalsContact CB-OE2 3.27Å; R53-E350 WeakPolarHBondContact CB-OE2 3.37Å; R53-E350 WeakPolarHBondContact CD-OE1 3.47Å; R53-E350 WeakPolarHBondContact CD-OE2 3.41Å; R53-E350 IonicContact NE-OE1 3.58Å; S54-E350 PolarHBondContact N-O 3.06Å; S54-E350 PolarHBondContact OG-O 3.25Å; G348-E350 PolarHBondContact O-N 3.15Å
351	D	97.3	Very high	97.6	Very high	62 Å²	62	40.4 Å²	40.4	33%	0.332	19%	0.193	S	C	.	.	S	Bend	trans	-90	176.1	-172.8	-140.7	-25	0	0	0	113.7	S54 T349	S54-D351 VanDerWaalsContact OG-C 3.27Å; S54-D351 WeakPolarHBondContact OG-CA 3.49Å; T349-D351 PolarHBondContact OG1-N 3Å
352	N	98.5	Very high	96.6	Very high	5 Å²	5	44 Å²	44	3%	0.027	22%	0.219	C	C	.	.			trans	-58.3	149.9	158.1	-71.3	-169.3	0	0	0	110	R51 S54 E56 M57 E58 D59 G290	R51-N352 WeakPolarHBondContact CA-ND2 3.34Å; R51-N352 PolarHBondContact O-ND2 2.78Å; S54-N352 VanDerWaalsContact CB-ND2 3.28Å; S54-N352 WeakPolarHBondContact CB-ND2 3.1Å; S54-N352 PolarHBondContact OG-N 3.4Å; S54-N352 PolarHBondContact OG-ND2 3.01Å; E56-N352 PolarHBondContact O-ND2 2.79Å; M57-N352 WeakPolarHBondContact CA-OD1 3.45Å; M57-N352 HydrophobicContact SD-CB 4.38Å; E58-N352 PolarHBondContact N-OD1 3.33Å; D59-N352 HydrophobicContact CB-CB 3.9Å; D59-N352 PolarHBondContact N-OD1 2.95Å; D59-N352 VanDerWaalsContact N-OD1 3.17Å; G290-N352 WeakPolarHBondContact CA-O 3.36Å
353	I	98.6	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119	-179.8	-46.9	162.9	0	0	0	107.9	S49 T50 D59 M341 A344 L345 T349 V355	S49-I353 CarbonylContact C-O 3.51Å; S49-I353 VanDerWaalsContact CA-O 3.25Å; S49-I353 WeakPolarHBondContact CA-O 3.19Å; T50-I353 HydrophobicContact CG2-CB 4.04Å; T50-I353 HydrophobicContact CG2-CD1 4.14Å; T50-I353 HydrophobicContact CG2-CG1 4.4Å; T50-I353 PolarHBondContact N-O 3.48Å; T50-I353 PolarHBondContact O-N 3.27Å; D59-I353 PolarHBondContact OD2-N 3.37Å; M341-I353 HydrophobicContact CB-CG2 4.44Å; M341-I353 HydrophobicContact CG-CB 4.34Å; M341-I353 HydrophobicContact CG-CD1 4.46Å; M341-I353 HydrophobicContact CG-CG2 4.17Å; A344-I353 HydrophobicContact CB-CD1 4.06Å; A344-I353 HydrophobicContact CB-CG2 4.37Å; L345-I353 HydrophobicContact CD1-CD1 4.49Å; L345-I353 HydrophobicContact CD2-CD1 3.6Å; L345-I353 HydrophobicContact CG-CD1 3.56Å; T349-I353 HydrophobicContact CG2-CD1 3.32Å; T349-I353 HydrophobicContact CG2-CG1 3.73Å; I353-V355 HydrophobicContact CG2-CG2 4.02Å
354	T	98.8	Very high	93	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.2	173.6	-66.1	0	0	0	0	109.4	A48 S49 D59 C61 V100 A287 S288	A48-T354 CarbonylContact O-C 3.53Å; A48-T354 WeakPolarHBondContact O-CA 3.45Å; S49-T354 PolarHBondContact OG-OG1 3.42Å; D59-T354 VanDerWaalsContact CB-OG1 3.3Å; D59-T354 WeakPolarHBondContact CB-OG1 3.17Å; D59-T354 VanDerWaalsContact CG-OG1 3.25Å; D59-T354 WeakPolarHBondContact OD2-CB 3.34Å; D59-T354 PolarHBondContact OD2-N 2.92Å; D59-T354 PolarHBondContact OD2-OG1 3.03Å; C61-T354 HydrophobicContact CB-CG2 3.7Å; V100-T354 HydrophobicContact CG1-CG2 3.81Å; V100-T354 HydrophobicContact CG2-CG2 4.05Å; A287-T354 WeakPolarHBondContact CA-O 3.29Å; A287-T354 WeakPolarHBondContact CB-O 3.25Å; S288-T354 PolarHBondContact N-O 2.89Å; S288-T354 VanDerWaalsContact N-O 3.15Å; S288-T354 PolarHBondContact OG-N 2.95Å; S288-T354 PolarHBondContact OG-O 3.47Å
355	V	98.8	Very high	90.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.2	-177	-172.4	0	0	0	0	109.6	C47 A48 I285 L286 A287 L291 L340 I353 V357	C47-V355 CarbonylContact C-O 3.58Å; C47-V355 WeakPolarHBondContact CA-O 2.95Å; A48-V355 PolarHBondContact N-O 2.89Å; A48-V355 PolarHBondContact O-N 2.83Å; I285-V355 HydrophobicContact CG2-CG1 4.08Å; L286-V355 CarbonylContact O-C 3.45Å; L286-V355 WeakPolarHBondContact O-CA 2.96Å; A287-V355 HydrophobicContact CB-CB 4.36Å; A287-V355 HydrophobicContact CB-CG1 4.37Å; A287-V355 HydrophobicContact CB-CG2 3.99Å; L291-V355 HydrophobicContact CB-CG2 4.29Å; L291-V355 HydrophobicContact CD2-CG1 4.24Å; L291-V355 HydrophobicContact CD2-CG2 3.95Å; L291-V355 HydrophobicContact CG-CG2 4.48Å; L340-V355 HydrophobicContact CB-CG1 4.12Å; L340-V355 HydrophobicContact CB-CG2 4.44Å; L340-V355 HydrophobicContact CD1-CG1 3.72Å; I353-V355 HydrophobicContact CG2-CG2 4.02Å; V355-V357 HydrophobicContact CG1-CG2 4.12Å
356	I	98.7	Very high	87.5	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.5	167.2	-58.1	176.5	0	0	0	108.3	G46 C47 C61 F98 G99 V100 I285 L286 V358	G46-I356 WeakPolarHBondContact O-CA 3.43Å; C47-I356 HydrophobicContact CB-CG1 4.18Å; C61-I356 HydrophobicContact CB-CD1 4.19Å; F98-I356 HydrophobicContact CB-CD1 4.24Å; F98-I356 HydrophobicContact CB-CG2 4.31Å; F98-I356 HydrophobicContact CD1-CG2 4.01Å; F98-I356 HydrophobicContact CG-CG2 4.35Å; G99-I356 WeakPolarHBondContact O-CD1 3.48Å; V100-I356 HydrophobicContact CG2-CD1 3.84Å; V100-I356 HydrophobicContact CG2-CG1 3.97Å; I285-I356 WeakPolarHBondContact CA-O 3.36Å; L286-I356 HydrophobicContact CB-CB 4.37Å; L286-I356 PolarHBondContact N-O 2.87Å; L286-I356 PolarHBondContact O-N 2.94Å; I356-V358 HydrophobicContact CG2-CG2 4.08Å
357	V	98.6	Very high	84.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.9	171.7	-179.1	0	0	0	0	108.7	W45 G46 C283 L284 A304 I308 A336 A337 L340 V355	W45-V357 CarbonylContact C-O 3.47Å; W45-V357 WeakPolarHBondContact CA-O 3.34Å; G46-V357 PolarHBondContact N-O 2.99Å; G46-V357 PolarHBondContact O-N 3.26Å; C283-V357 HydrophobicContact CB-CG1 4.29Å; L284-V357 CarbonylContact O-C 3.48Å; L284-V357 WeakPolarHBondContact O-CA 3.47Å; A304-V357 HydrophobicContact CB-CG1 4.38Å; I308-V357 HydrophobicContact CD1-CG1 4.1Å; A336-V357 HydrophobicContact CB-CB 4.42Å; A336-V357 HydrophobicContact CB-CG1 4.07Å; A336-V357 HydrophobicContact CB-CG2 4.25Å; A337-V357 HydrophobicContact CB-CG2 4.02Å; L340-V357 HydrophobicContact CD1-CG2 3.88Å; V355-V357 HydrophobicContact CG1-CG2 4.12Å
358	V	97.8	Very high	81.4	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.2	176	-172.9	0	0	0	0	108.7	V44 W45 F98 C283 L284 I356 L360	V44-V358 CarbonylContact O-C 3.37Å; V44-V358 WeakPolarHBondContact O-CA 3.09Å; W45-V358 HydrophobicContact CB-CG2 4.11Å; F98-V358 HydrophobicContact CD1-CG2 4.16Å; F98-V358 HydrophobicContact CD2-CG2 3.74Å; F98-V358 HydrophobicContact CE1-CG2 4.15Å; F98-V358 HydrophobicContact CE2-CG1 4.04Å; F98-V358 HydrophobicContact CE2-CG2 3.71Å; F98-V358 HydrophobicContact CG-CG2 3.95Å; F98-V358 HydrophobicContact CZ-CG1 4.23Å; F98-V358 HydrophobicContact CZ-CG2 3.92Å; C283-V358 CarbonylContact C-O 3.59Å; C283-V358 WeakPolarHBondContact CA-O 3.14Å; C283-V358 VanDerWaalsContact CB-O 3.27Å; C283-V358 WeakPolarHBondContact CB-O 3.08Å; L284-V358 HydrophobicContact CB-CB 4.25Å; L284-V358 PolarHBondContact N-O 2.74Å; L284-V358 PolarHBondContact O-N 3.41Å; I356-V358 HydrophobicContact CG2-CG2 4.08Å; V358-L360 HydrophobicContact CG1-CD2 4.13Å; V358-L360 PolarHBondContact O-N 2.89Å
359	D	96.5	Very high	78.3	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.08	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	122.6	173.2	-176.9	5.3	0	0	0	109.6	V44 I308 K361	V44-D359 HydrophobicContact CB-CB 4.06Å; V44-D359 HydrophobicContact CG1-CB 3.77Å; V44-D359 PolarHBondContact O-N 3.37Å; I308-D359 HydrophobicContact CD1-CB 4.23Å; D359-K361 WeakPolarHBondContact OD1-CB 2.99Å; D359-K361 PolarHBondContact OD1-N 3.44Å
360	L	95.4	Very high	75.2	Confident	6 Å²	6	74.9 Å²	74.9	3%	0.031	40%	0.401	C	S	.	.			trans	-101.8	-1.8	-176.4	-65	177.7	0	0	0	112.5	V191 V196 L208 R277 D281 D282 L284 V358	V191-L360 HydrophobicContact CG1-CD2 4Å; V196-L360 HydrophobicContact CG2-CD1 4.49Å; L208-L360 HydrophobicContact CD1-CD1 3.48Å; L208-L360 VanDerWaalsContact CD1-CD1 3.48Å; R277-L360 PolarHBondContact NH2-O 2.6Å; D281-L360 HydrophobicContact CB-CB 3.97Å; D281-L360 HydrophobicContact CB-CD1 4.05Å; D282-L360 PolarHBondContact O-N 3.4Å; L284-L360 HydrophobicContact CB-CD1 4.06Å; V358-L360 HydrophobicContact CG1-CD2 4.13Å; V358-L360 PolarHBondContact O-N 2.89Å
361	K	90.3	Very high	74.2	Confident	74 Å²	74	72.7 Å²	72.7	32%	0.322	39%	0.393	S	S	.	.	S	Bend	trans	-70.5	137.7	178.7	-72.7	-65.6	-171	-133.7	0	111.4	K279 D280 D281 D282 D359 R363	K279-K361 PolarHBondContact O-NZ 2.76Å; D280-K361 PolarHBondContact O-NZ 2.99Å; D281-K361 WeakPolarHBondContact O-CD 3.27Å; D281-K361 WeakPolarHBondContact O-CE 3.47Å; D281-K361 PolarHBondContact O-NZ 3.24Å; D282-K361 WeakPolarHBondContact OD1-CE 3.08Å; D282-K361 IonicContact OD1-NZ 3.17Å; D282-K361 PolarHBondContact OD1-NZ 3.46Å; D359-K361 WeakPolarHBondContact OD1-CB 2.99Å; D359-K361 PolarHBondContact OD1-N 3.44Å; K361-R363 PolarHBondContact O-N 3.27Å
362	P	78.5	Confident	73	Confident	108 Å²	108	73.3 Å²	73.3	70%	0.701	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-62.6	123.3	172.4	-19.9	30.6	0	0	0	111.2	K364	P362-K364 PolarHBondContact O-N 3.06Å
363	R	68.7	Low	71.5	Confident	92 Å²	92	77.1 Å²	77.1	35%	0.347	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-72.9	117.1	165.2	-74.6	-169	151.8	161.1	1.2	109.1	H312 S320 D330 K361 K365	H312-R363 PolarHBondContact CE1-NH2 3.5Å; S320-R363 PolarHBondContact OG-NH1 3.18Å; D330-R363 IonicContact OD1-CZ 3.57Å; D330-R363 VanDerWaalsContact OD1-CZ 3.31Å; D330-R363 IonicContact OD1-NH1 3.67Å; D330-R363 PolarHBondContact OD1-NH1 3.33Å; D330-R363 VanDerWaalsContact OD1-NH1 3.14Å; D330-R363 IonicContact OD1-NH2 3.54Å; D330-R363 PolarHBondContact OD1-NH2 2.95Å; D330-R363 IonicContact OD2-NH2 3.83Å; K361-R363 PolarHBondContact O-N 3.27Å; R363-K365 PolarHBondContact O-N 2.97Å; R363-K365 VanDerWaalsContact O-N 3.08Å
364	K	52.1	Low	70	Confident	192 Å²	192	81.6 Å²	81.6	84%	0.835	44%	0.442	S	S	*	.			trans	-67	108.4	165.6	-67.7	-177.2	-178	177.8	0	106.8	P362 A366	P362-K364 PolarHBondContact O-N 3.06Å; K364-A366 PolarHBondContact O-N 3.29Å; K364-A366 VanDerWaalsContact O-N 3.13Å
365	K	46.5	Very low	68.2	Low	170 Å²	170	86.7 Å²	86.7	74%	0.739	47%	0.469	S	S	*	.			trans	-50.6	124.6	163.5	-74.4	-166.4	174.4	-168.1	0	106	E324 R363 K367	E324-K365 IonicContact OE1-NZ 3.98Å; E324-K365 PolarHBondContact OE1-NZ 2.97Å; R363-K365 PolarHBondContact O-N 2.97Å; R363-K365 VanDerWaalsContact O-N 3.08Å; K365-K367 PolarHBondContact O-N 3.24Å
366	A	35.8	Very low	66.1	Low	95 Å²	95	92.5 Å²	92.5	79%	0.785	50%	0.5	S	S	*	.			trans	-54.3	128.1	173.4	0	0	0	0	0	106.9	K364 S368	K364-A366 PolarHBondContact O-N 3.29Å; K364-A366 VanDerWaalsContact O-N 3.13Å; A366-S368 PolarHBondContact O-N 3.41Å
367	K	34.2	Very low	63.8	Low	193 Å²	193	99.1 Å²	99.1	84%	0.839	54%	0.536	S	S	*	.			trans	-56.6	113.1	172	-77.2	-177	176.3	-178.9	0	106.4	K365 N369	K365-K367 PolarHBondContact O-N 3.24Å; K367-N369 PolarHBondContact O-N 2.78Å
368	S	32.9	Very low	61.1	Low	103 Å²	103	106.7 Å²	106.7	72%	0.72	58%	0.577	S	S	*	*			trans	-62.4	107.1	162.7	58.5	0	0	0	0	105.6	A366 S370	A366-S368 PolarHBondContact O-N 3.41Å; S368-S370 PolarHBondContact O-N 3.19Å
369	N	32.1	Very low	58.1	Low	160 Å²	160	115.4 Å²	115.4	86%	0.856	62%	0.624	S	S	*	*			trans	-68.7	92.7	161.6	-80.9	-5.9	0	0	0	106	K367	K367-N369 PolarHBondContact O-N 2.78Å
370	S	33.9	Very low	54.6	Low	177 Å²	177	124.5 Å²	124.5	100%	1.238	67%	0.674	S	S	*	*			trans	-101.8	0	156.9	69.8	0	0	0	0	108.6	S368	S368-S370 PolarHBondContact O-N 3.19Å

Retrieved 370 of 370 residues in 475.7 ms (Link to these results)

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