G4V8Z5_SCHMA Loading...

pyrroline-5-carboxylate reductase

AlphaFold DB , UniProt , Accession G4V8Z5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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	37.4	Very low	33.5	Very low	252 Å²	252	139.2 Å²	139.2	100%	1.241	73%	0.734	S	S	*	*				0	54.9	0	-156	160.2	98.4	0	0	110.9
2	M	33.2	Very low	34.4	Very low	185 Å²	185	132.2 Å²	132.2	91%	0.911	71%	0.705	S	S	*	*			trans	-133.7	9.9	-166.2	-142.1	171.5	175.8	0	0	114.9
3	L	32.2	Very low	35.2	Very low	158 Å²	158	129 Å²	129	83%	0.827	69%	0.688	S	S	*	*	S	Bend	trans	-106.5	-5.1	-174.2	-83	157.4	0	0	0	115.7
4	L	37.7	Very low	36.1	Very low	147 Å²	147	126.1 Å²	126.1	77%	0.77	67%	0.672	S	S	*	*	S	Bend	trans	-84.7	-29.1	-179.8	-114.4	82.8	0	0	0	114.6
5	N	33.5	Very low	37	Very low	139 Å²	139	122.7 Å²	122.7	74%	0.743	65%	0.649	S	S	*	*	H	α-helix	trans	-79.4	-23.5	-171.4	-75.6	-15.4	0	0	0	114.5
6	C	29.1	Very low	38	Very low	86 Å²	86	122.6 Å²	122.6	58%	0.581	64%	0.642	S	S	*	*	H	α-helix	trans	-78.7	-28.7	-177.3	-161.7	0	0	0	0	113.1
7	C	29.9	Very low	38.8	Very low	84 Å²	84	123.1 Å²	123.1	57%	0.568	65%	0.645	S	S	*	*	H	α-helix	trans	-74.2	-28.2	179.9	-86	0	0	0	0	113.8	K11	C7-K11 WeakPolarHBondContact O-CG 3.5Å; C7-K11 PolarHBondContact O-N 2.88Å; C7-K11 VanDerWaalsContact O-N 3.16Å
8	I	35	Very low	39.5	Very low	114 Å²	114	118.1 Å²	118.1	59%	0.585	62%	0.62	S	S	*	*	H	α-helix	trans	-72.1	-40.7	-178	-60.4	172.4	0	0	0	110.6	K11 S12	I8-K11 PolarHBondContact O-N 3.36Å; I8-S12 PolarHBondContact O-N 3.46Å; I8-S12 VanDerWaalsContact O-N 3.11Å
9	A	33.2	Very low	40.4	Very low	65 Å²	65	113.3 Å²	113.3	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-66.4	-38.2	178.5	0	0	0	0	0	112.7	S12	A9-S12 PolarHBondContact O-OG 2.94Å
10	K	31.1	Very low	41	Very low	164 Å²	164	117.3 Å²	117.3	71%	0.713	60%	0.603	S	S	*	*	H	α-helix	trans	-70.2	-33.7	174.6	-79.2	-175.3	176	-179.3	0	112.9	N13	K10-N13 PolarHBondContact O-N 3.41Å
11	K	36.7	Very low	41.5	Very low	137 Å²	137	113.1 Å²	113.1	60%	0.596	58%	0.583	S	S	*	*	H	α-helix	trans	-68.2	-33.6	175.1	-80.3	-176.5	175.7	-174.3	0	113.1	C7 I8 N13 L14 F15	C7-K11 WeakPolarHBondContact O-CG 3.5Å; C7-K11 PolarHBondContact O-N 2.88Å; C7-K11 VanDerWaalsContact O-N 3.16Å; I8-K11 PolarHBondContact O-N 3.36Å; K11-N13 VanDerWaalsContact C-N 3.26Å; K11-N13 PolarHBondContact O-N 3.22Å; K11-L14 WeakPolarHBondContact O-CB 3.5Å; K11-L14 PolarHBondContact O-N 3.28Å; K11-L14 VanDerWaalsContact O-N 3.1Å; K11-F15 VanDerWaalsContact O-CD2 3.3Å; K11-F15 WeakPolarHBondContact O-CD2 3.49Å; K11-F15 PolarHBondContact O-N 3.01Å
12	S	43.8	Very low	42	Very low	55 Å²	55	109.5 Å²	109.5	39%	0.385	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-33	178.4	79.4	0	0	0	0	112.6	I8 A9 K16	I8-S12 PolarHBondContact O-N 3.46Å; I8-S12 VanDerWaalsContact O-N 3.11Å; A9-S12 PolarHBondContact O-OG 2.94Å; S12-K16 WeakPolarHBondContact O-CG 3.44Å; S12-K16 PolarHBondContact O-N 3.31Å
13	N	45.1	Very low	43.2	Very low	91 Å²	91	107.6 Å²	107.6	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-72.6	-30.6	174.1	-80.8	-10.8	0	0	0	113.1	K10 K11 K16 N17	K10-N13 PolarHBondContact O-N 3.41Å; K11-N13 VanDerWaalsContact C-N 3.26Å; K11-N13 PolarHBondContact O-N 3.22Å; N13-K16 PolarHBondContact O-N 2.99Å; N13-N17 PolarHBondContact O-N 3.13Å
14	L	46.9	Very low	44.3	Very low	89 Å²	89	104.3 Å²	104.3	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-47.1	176.3	-163.6	74.6	0	0	0	110.2	K11 N17 V18 L252	K11-L14 WeakPolarHBondContact O-CB 3.5Å; K11-L14 PolarHBondContact O-N 3.28Å; K11-L14 VanDerWaalsContact O-N 3.1Å; L14-N17 PolarHBondContact O-N 3.47Å; L14-V18 HydrophobicContact CD1-CG2 4.39Å; L14-V18 HydrophobicContact CG-CG2 4.27Å; L14-V18 WeakPolarHBondContact O-CB 3.39Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.03Å; L14-V18 VanDerWaalsContact O-N 3.14Å; L14-L252 HydrophobicContact CD2-CD2 4.5Å
15	F	50.9	Low	45.4	Very low	74 Å²	74	101.6 Å²	101.6	33%	0.325	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-39.4	178.3	-71.1	-75.6	0	0	0	113.2	K11 N17 V18 I19 L252	K11-F15 VanDerWaalsContact O-CD2 3.3Å; K11-F15 WeakPolarHBondContact O-CD2 3.49Å; K11-F15 PolarHBondContact O-N 3.01Å; F15-N17 VanDerWaalsContact C-N 3.26Å; F15-N17 PolarHBondContact O-N 3.13Å; F15-V18 PolarHBondContact O-N 3Å; F15-I19 HydrophobicContact CD1-CD1 3.74Å; F15-I19 HydrophobicContact CE1-CD1 4.48Å; F15-I19 PolarHBondContact O-N 3.4Å; F15-L252 HydrophobicContact CE1-CD1 3.95Å; F15-L252 HydrophobicContact CE1-CD2 4.4Å
16	K	52.9	Low	47.1	Very low	122 Å²	122	97.2 Å²	97.2	53%	0.53	49%	0.494	S	S	.	.	H	α-helix	trans	-60.8	-32.4	177.7	-75.7	-177	178.8	179.3	0	113.4	S12 N13	S12-K16 WeakPolarHBondContact O-CG 3.44Å; S12-K16 PolarHBondContact O-N 3.31Å; N13-K16 PolarHBondContact O-N 2.99Å
17	N	50.7	Low	49.3	Very low	130 Å²	130	95.7 Å²	95.7	70%	0.695	49%	0.485	S	S	*	.	H	α-helix	trans	-94.7	-15.6	-177.3	-68.4	-17.2	0	0	0	113.6	N13 L14 F15	N13-N17 PolarHBondContact O-N 3.13Å; L14-N17 PolarHBondContact O-N 3.47Å; F15-N17 VanDerWaalsContact C-N 3.26Å; F15-N17 PolarHBondContact O-N 3.13Å
18	V	51.8	Low	51.7	Low	33 Å²	33	95.2 Å²	95.2	20%	0.2	49%	0.487	C	S	.	.	H	α-helix	trans	-103.4	-30.8	-168.4	171.4	0	0	0	0	112.8	L14 F15 V256 K260	L14-V18 HydrophobicContact CD1-CG2 4.39Å; L14-V18 HydrophobicContact CG-CG2 4.27Å; L14-V18 WeakPolarHBondContact O-CB 3.39Å; L14-V18 WeakPolarHBondContact O-CG2 3.42Å; L14-V18 PolarHBondContact O-N 3.03Å; L14-V18 VanDerWaalsContact O-N 3.14Å; F15-V18 PolarHBondContact O-N 3Å; V18-V256 HydrophobicContact CG1-CB 4.14Å; V18-V256 HydrophobicContact CG1-CG1 3.87Å; V18-V256 HydrophobicContact CG1-CG2 3.19Å; V18-K260 WeakPolarHBondContact O-CE 3.35Å
19	I	56.2	Low	54.1	Low	28 Å²	28	95.6 Å²	95.6	14%	0.144	49%	0.49	C	S	.	.	S	Bend	trans	-103.2	131.1	-176.1	-62.6	172.8	0	0	0	110.2	F15 T21 V170	F15-I19 HydrophobicContact CD1-CD1 3.74Å; F15-I19 HydrophobicContact CE1-CD1 4.48Å; F15-I19 PolarHBondContact O-N 3.4Å; I19-T21 HydrophobicContact CB-CG2 4.47Å; I19-T21 HydrophobicContact CG2-CG2 3.92Å; I19-T21 PolarHBondContact O-N 3.41Å; I19-V170 HydrophobicContact CD1-CB 4.37Å; I19-V170 HydrophobicContact CD1-CG1 3.58Å
20	Y	52	Low	56.6	Low	192 Å²	192	93.3 Å²	93.3	75%	0.753	47%	0.469	S	S	*	.			trans	-72.1	84.7	169.5	-155.8	-82.7	0	0	0	108.4	K22	Y20-K22 HydrophobicContact CE1-CB 4.49Å; Y20-K22 PolarHBondContact O-N 3.23Å
21	T	51.8	Low	59.3	Low	30 Å²	30	91.4 Å²	91.4	18%	0.184	46%	0.46	C	S	.	.			trans	-81.3	107.6	164.5	61.7	0	0	0	0	105.8	I19 R23 P198	I19-T21 HydrophobicContact CB-CG2 4.47Å; I19-T21 HydrophobicContact CG2-CG2 3.92Å; I19-T21 PolarHBondContact O-N 3.41Å; T21-R23 PolarHBondContact O-N 3.43Å; T21-R23 WeakPolarHBondContact OG1-CG 3.46Å; T21-P198 HydrophobicContact CG2-CB 3.71Å; T21-P198 HydrophobicContact CG2-CG 3.39Å
22	K	49.1	Very low	61.8	Low	176 Å²	176	89.5 Å²	89.5	77%	0.765	46%	0.461	S	S	*	.			trans	-63.9	82.8	162.3	-168.7	-176.9	-176.3	-175.2	0	105.8	Y20 Y24	Y20-K22 HydrophobicContact CE1-CB 4.49Å; Y20-K22 PolarHBondContact O-N 3.23Å; K22-Y24 PolarHBondContact O-N 2.88Å
23	R	57.3	Low	64.1	Low	145 Å²	145	89.6 Å²	89.6	55%	0.547	46%	0.458	S	S	.	.			trans	-68.6	127.4	177.2	-72.2	-169.2	176.9	141	7.2	106.1	T21 A25	T21-R23 PolarHBondContact O-N 3.43Å; T21-R23 WeakPolarHBondContact OG1-CG 3.46Å; R23-A25 PolarHBondContact O-N 3.35Å
24	Y	55.8	Low	66.4	Low	90 Å²	90	85.4 Å²	85.4	35%	0.353	44%	0.436	S	S	.	.			trans	-50.9	120.5	165.4	-168.2	-95.1	0	0	0	107.1	K22 M26 I30 A191 S194	K22-Y24 PolarHBondContact O-N 2.88Å; Y24-M26 VanDerWaalsContact C-N 3.34Å; Y24-M26 PolarHBondContact O-N 3.08Å; Y24-I30 HydrophobicContact CE1-CG1 4.47Å; Y24-I30 HydrophobicContact CE1-CG2 4.5Å; Y24-A191 HydrophobicContact CD1-CB 4Å; Y24-A191 HydrophobicContact CE1-CB 4.16Å; Y24-S194 VanDerWaalsContact CB-OG 3.3Å; Y24-S194 WeakPolarHBondContact CB-OG 3.34Å
25	A	59.7	Low	68.6	Low	90 Å²	90	84.2 Å²	84.2	74%	0.744	44%	0.439	S	S	*	.			trans	-65.8	100.2	177.4	0	0	0	0	0	107	R23 S27	R23-A25 PolarHBondContact O-N 3.35Å; A25-S27 PolarHBondContact O-N 3.36Å
26	M	69.2	Low	70.6	Confident	46 Å²	46	84.3 Å²	84.3	23%	0.227	45%	0.449	C	S	.	.			trans	-72.2	102.1	-179.3	-71.1	-147.6	-175.3	0	0	109.6	Y24 I30 K31 L34 V60 A191	Y24-M26 VanDerWaalsContact C-N 3.34Å; Y24-M26 PolarHBondContact O-N 3.08Å; M26-I30 HydrophobicContact CB-CG2 3.71Å; M26-I30 HydrophobicContact CG-CG2 4Å; M26-I30 HydrophobicContact SD-CG2 4.32Å; M26-K31 HydrophobicContact CB-CG 4.07Å; M26-K31 HydrophobicContact SD-CG 4.17Å; M26-L34 HydrophobicContact CE-CD1 3.73Å; M26-L34 HydrophobicContact SD-CD1 3.61Å; M26-V60 HydrophobicContact CE-CB 4.35Å; M26-V60 HydrophobicContact CE-CG1 3.59Å; M26-V60 HydrophobicContact SD-CG1 4.43Å; M26-A191 HydrophobicContact CE-CB 4.15Å; M26-A191 WeakPolarHBondContact CE-O 3.36Å
27	S	76.5	Confident	72.7	Confident	54 Å²	54	81.5 Å²	81.5	38%	0.378	44%	0.437	S	S	.	.			trans	-56.3	160.9	167.9	66.3	0	0	0	0	111.1	A25 D29 I30 K31	A25-S27 PolarHBondContact O-N 3.36Å; S27-D29 PolarHBondContact O-N 3.43Å; S27-I30 WeakPolarHBondContact O-CG2 3.21Å; S27-I30 PolarHBondContact O-N 3.44Å; S27-I30 PolarHBondContact OG-N 3.22Å; S27-I30 VanDerWaalsContact OG-N 3.14Å; S27-K31 PolarHBondContact O-N 3.25Å
28	A	79.6	Confident	75	Confident	74 Å²	74	76.7 Å²	76.7	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-57.4	-38.2	172.2	0	0	0	0	0	110.7	K31 T32	A28-K31 PolarHBondContact O-N 2.85Å; A28-T32 PolarHBondContact O-N 3.03Å; A28-T32 VanDerWaalsContact O-N 3.15Å; A28-T32 PolarHBondContact O-OG1 3.14Å; A28-T32 VanDerWaalsContact O-OG1 3.11Å
29	D	85.6	Confident	77.2	Confident	122 Å²	122	75.1 Å²	75.1	65%	0.652	40%	0.401	S	S	*	.	H	α-helix	trans	-62.1	-47.1	-180	-53.9	-36.2	0	0	0	112.3	S27 K31 T32 V33	S27-D29 PolarHBondContact O-N 3.43Å; D29-K31 VanDerWaalsContact C-N 3.29Å; D29-K31 PolarHBondContact O-N 3.19Å; D29-T32 WeakPolarHBondContact O-CB 3.49Å; D29-T32 PolarHBondContact O-N 3.38Å; D29-V33 WeakPolarHBondContact O-CG2 3.42Å; D29-V33 PolarHBondContact O-N 3.14Å
30	I	86.9	Confident	79.2	Confident	17 Å²	17	73.8 Å²	73.8	9%	0.087	39%	0.394	C	S	.	.	H	α-helix	trans	-68.3	-31.3	-177.4	-159	61.7	0	0	0	112	Y24 M26 S27 V33 L34 N187 A191	Y24-I30 HydrophobicContact CE1-CG1 4.47Å; Y24-I30 HydrophobicContact CE1-CG2 4.5Å; M26-I30 HydrophobicContact CB-CG2 3.71Å; M26-I30 HydrophobicContact CG-CG2 4Å; M26-I30 HydrophobicContact SD-CG2 4.32Å; S27-I30 WeakPolarHBondContact O-CG2 3.21Å; S27-I30 PolarHBondContact O-N 3.44Å; S27-I30 PolarHBondContact OG-N 3.22Å; S27-I30 VanDerWaalsContact OG-N 3.14Å; I30-V33 HydrophobicContact CD1-CB 4.45Å; I30-V33 PolarHBondContact O-N 3.01Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 VanDerWaalsContact O-CG 3.31Å; I30-L34 WeakPolarHBondContact O-CG 3.29Å; I30-L34 PolarHBondContact O-N 3.26Å; I30-N187 HydrophobicContact CD1-CB 4.49Å; I30-A191 HydrophobicContact CD1-CB 4.22Å; I30-A191 HydrophobicContact CG1-CB 3.46Å; I30-A191 VanDerWaalsContact CG1-CB 3.46Å
31	K	86	Confident	81.4	Confident	124 Å²	124	64.6 Å²	64.6	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-42	173.6	-69.1	179.3	-176.7	176.5	0	111.3	M26 S27 A28 D29 V33 L34 A35	M26-K31 HydrophobicContact CB-CG 4.07Å; M26-K31 HydrophobicContact SD-CG 4.17Å; S27-K31 PolarHBondContact O-N 3.25Å; A28-K31 PolarHBondContact O-N 2.85Å; D29-K31 VanDerWaalsContact C-N 3.29Å; D29-K31 PolarHBondContact O-N 3.19Å; K31-V33 VanDerWaalsContact C-N 3.34Å; K31-L34 PolarHBondContact O-N 3Å; K31-A35 WeakPolarHBondContact O-CB 3.42Å; K31-A35 PolarHBondContact O-N 3.24Å
32	T	89.8	Confident	83.6	Confident	98 Å²	98	63.2 Å²	63.2	60%	0.601	35%	0.349	S	S	*	.	H	α-helix	trans	-62.1	-43.6	174.8	-56.6	0	0	0	0	110.9	A28 D29 A35 S36	A28-T32 PolarHBondContact O-N 3.03Å; A28-T32 VanDerWaalsContact O-N 3.15Å; A28-T32 PolarHBondContact O-OG1 3.14Å; A28-T32 VanDerWaalsContact O-OG1 3.11Å; D29-T32 WeakPolarHBondContact O-CB 3.49Å; D29-T32 PolarHBondContact O-N 3.38Å; T32-A35 PolarHBondContact O-N 3.18Å; T32-S36 PolarHBondContact O-N 3.03Å
33	V	92.4	Very high	85.8	Confident	56 Å²	56	55.2 Å²	55.2	34%	0.339	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-50.9	175.1	177.2	0	0	0	0	110.4	D29 I30 K31 A35 S36 K37 L188	D29-V33 WeakPolarHBondContact O-CG2 3.42Å; D29-V33 PolarHBondContact O-N 3.14Å; I30-V33 HydrophobicContact CD1-CB 4.45Å; I30-V33 PolarHBondContact O-N 3.01Å; K31-V33 VanDerWaalsContact C-N 3.34Å; V33-A35 VanDerWaalsContact C-N 3.27Å; V33-A35 PolarHBondContact O-N 3.01Å; V33-S36 PolarHBondContact O-N 2.91Å; V33-S36 PolarHBondContact O-OG 2.95Å; V33-K37 WeakPolarHBondContact O-CG 3.46Å; V33-K37 PolarHBondContact O-N 3.3Å; V33-L188 HydrophobicContact CG1-CD1 4.08Å
34	L	93.5	Very high	87.5	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-40.1	178.3	-74.4	167.4	0	0	0	112.6	M26 I30 K31 S36 K37 Y39 Q65 L188 A191 L192	M26-L34 HydrophobicContact CE-CD1 3.73Å; M26-L34 HydrophobicContact SD-CD1 3.61Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 VanDerWaalsContact O-CG 3.31Å; I30-L34 WeakPolarHBondContact O-CG 3.29Å; I30-L34 PolarHBondContact O-N 3.26Å; K31-L34 PolarHBondContact O-N 3Å; L34-S36 VanDerWaalsContact C-N 3.32Å; L34-K37 PolarHBondContact O-N 2.72Å; L34-Y39 WeakPolarHBondContact CD2-OH 3.4Å; L34-Y39 PolarHBondContact O-OH 3.04Å; L34-Y39 VanDerWaalsContact O-OH 3.09Å; L34-Q65 PolarHBondContact O-NE2 2.69Å; L34-L188 HydrophobicContact CD2-CD1 3.63Å; L34-L188 HydrophobicContact CG-CD1 4.31Å; L34-A191 HydrophobicContact CD1-CB 4.18Å; L34-L192 HydrophobicContact CD2-CB 3.91Å
35	A	92.4	Very high	89.2	Confident	64 Å²	64	45.5 Å²	45.5	53%	0.529	29%	0.289	S	S	.	.	H	α-helix	trans	-71.1	-24.3	178.4	0	0	0	0	0	113.5	K31 T32 V33 K37 Q65	K31-A35 WeakPolarHBondContact O-CB 3.42Å; K31-A35 PolarHBondContact O-N 3.24Å; T32-A35 PolarHBondContact O-N 3.18Å; V33-A35 VanDerWaalsContact C-N 3.27Å; V33-A35 PolarHBondContact O-N 3.01Å; A35-K37 VanDerWaalsContact C-N 3.35Å; A35-Q65 PolarHBondContact O-NE2 3.48Å; A35-Q65 VanDerWaalsContact O-NE2 3.15Å
36	S	94.3	Very high	90.7	Very high	77 Å²	77	47.4 Å²	47.4	54%	0.538	29%	0.286	S	S	.	.	H	α-helix	trans	-80.5	-13.6	178.5	74.1	0	0	0	0	114.2	T32 V33 L34	T32-S36 PolarHBondContact O-N 3.03Å; V33-S36 PolarHBondContact O-N 2.91Å; V33-S36 PolarHBondContact O-OG 2.95Å; L34-S36 VanDerWaalsContact C-N 3.32Å
37	K	96.7	Very high	91.8	Very high	62 Å²	62	47.5 Å²	47.5	27%	0.27	29%	0.287	S	S	.	.			trans	-96	147.6	-173.1	-61	-60.5	172.4	-170.2	0	112.6	V33 L34 A35 Y39 Q65 D108 L188	V33-K37 WeakPolarHBondContact O-CG 3.46Å; V33-K37 PolarHBondContact O-N 3.3Å; L34-K37 PolarHBondContact O-N 2.72Å; A35-K37 VanDerWaalsContact C-N 3.35Å; K37-Y39 HydrophobicContact CB-CE1 4.24Å; K37-Y39 HydrophobicContact CB-CE2 4.01Å; K37-Y39 WeakPolarHBondContact O-CE2 3.29Å; K37-Q65 PolarHBondContact O-NE2 3.43Å; K37-D108 WeakPolarHBondContact CA-OD2 3.15Å; K37-D108 HydrophobicContact CB-CB 4.33Å; K37-D108 HydrophobicContact CD-CB 3.63Å; K37-D108 HydrophobicContact CG-CB 4.5Å; K37-D108 IonicContact NZ-OD1 3.7Å; K37-L188 HydrophobicContact CG-CD1 4.25Å; K37-L188 HydrophobicContact CG-CD2 4.24Å
38	H	98.2	Very high	92.7	Very high	29 Å²	29	45 Å²	45	13%	0.134	27%	0.269	C	S	.	.			trans	-105.3	134.9	166.6	-170.6	-78.1	0	0	0	110.7	T67 K106 S107 D108 V109	H38-T67 PolarHBondContact CE1-OG1 3.45Å; H38-T67 PolarHBondContact NE2-OG1 2.83Å; H38-K106 VanDerWaalsContact CB-O 3.31Å; H38-K106 WeakPolarHBondContact CB-O 3.46Å; H38-S107 PolarHBondContact ND1-OG 2.97Å; H38-S107 VanDerWaalsContact ND1-OG 3.16Å; H38-D108 PolarHBondContact N-OD2 3.06Å; H38-D108 PolarHBondContact O-N 3.45Å; H38-V109 PolarHBondContact O-N 3.43Å
39	Y	98.3	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115	-173.8	-54.6	-86.1	0	0	0	110.4	L34 K37 M61 Q65 V66 T67 V109 F111 L192	L34-Y39 WeakPolarHBondContact CD2-OH 3.4Å; L34-Y39 PolarHBondContact O-OH 3.04Å; L34-Y39 VanDerWaalsContact O-OH 3.09Å; K37-Y39 HydrophobicContact CB-CE1 4.24Å; K37-Y39 HydrophobicContact CB-CE2 4.01Å; K37-Y39 WeakPolarHBondContact O-CE2 3.29Å; Y39-M61 HydrophobicContact CD1-CE 4.38Å; Y39-M61 HydrophobicContact CD2-CE 3.93Å; Y39-M61 HydrophobicContact CD2-SD 4.43Å; Y39-M61 HydrophobicContact CE2-CB 4.28Å; Y39-M61 HydrophobicContact CE2-CE 4.1Å; Y39-M61 HydrophobicContact CG-CE 4.09Å; Y39-Q65 HydrophobicContact CD2-CB 4.15Å; Y39-Q65 HydrophobicContact CE2-CB 4.48Å; Y39-Q65 PolarHBondContact N-O 3.06Å; Y39-V66 WeakPolarHBondContact O-CA 3.47Å; Y39-T67 PolarHBondContact O-N 3.43Å; Y39-V109 WeakPolarHBondContact CA-O 3.27Å; Y39-V109 HydrophobicContact CD1-CB 3.83Å; Y39-V109 HydrophobicContact CD1-CG1 4.36Å; Y39-V109 HydrophobicContact CD1-CG2 4.15Å; Y39-V109 HydrophobicContact CE1-CB 4.24Å; Y39-V109 HydrophobicContact CE1-CG2 4.05Å; Y39-F111 HydrophobicContact CD1-CE2 4.06Å; Y39-L192 HydrophobicContact CD1-CD2 4.12Å; Y39-L192 HydrophobicContact CE1-CD2 3.72Å
40	G	98.3	Very high	93.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.1	175.3	0	0	0	0	0	110.9	T67 M103 S107 V109 V110 F111	G40-T67 CarbonylContact C-O 3.56Å; G40-T67 WeakPolarHBondContact CA-O 3.32Å; G40-M103 WeakPolarHBondContact CA-SD 3.44Å; G40-S107 WeakPolarHBondContact CA-OG 3.47Å; G40-S107 PolarHBondContact N-OG 3.35Å; G40-S107 VanDerWaalsContact N-OG 3.11Å; G40-V109 PolarHBondContact N-O 3.45Å; G40-V110 CarbonylContact O-C 3.54Å; G40-V110 WeakPolarHBondContact O-CA 3.43Å; G40-F111 PolarHBondContact O-N 3.47Å
41	F	98.2	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.7	174.6	-70.9	-100.7	0	0	0	109.2	G43 L51 V52 F55 V66 T67 M68 T69 F111	F41-G43 PolarHBondContact O-N 3.13Å; F41-L51 HydrophobicContact CE1-CB 4.09Å; F41-V52 HydrophobicContact CD1-CG2 3.6Å; F41-V52 HydrophobicContact CD2-CG2 3.65Å; F41-V52 HydrophobicContact CE1-CG2 3.55Å; F41-V52 HydrophobicContact CE2-CG2 3.6Å; F41-V52 HydrophobicContact CG-CG2 3.67Å; F41-V52 HydrophobicContact CZ-CG2 3.55Å; F41-F55 HydrophobicContact CZ-CD2 4.25Å; F41-F55 HydrophobicContact CZ-CE2 4.26Å; F41-V66 HydrophobicContact CD2-CG1 3.77Å; F41-V66 HydrophobicContact CE2-CG1 3.88Å; F41-T67 PolarHBondContact N-O 3.49Å; F41-M68 HydrophobicContact CB-CG 4.1Å; F41-T69 PolarHBondContact O-N 2.88Å; F41-T69 PolarHBondContact O-OG1 3.09Å; F41-F111 HydrophobicContact CD1-CB 3.57Å; F41-F111 HydrophobicContact CD1-CD2 4.25Å; F41-F111 HydrophobicContact CD1-CG 4.01Å; F41-F111 HydrophobicContact CE1-CB 3.74Å; F41-F111 HydrophobicContact CE1-CD1 4.22Å; F41-F111 AromaticContact CE1-CD2 3.69Å; F41-F111 HydrophobicContact CE1-CD2 3.69Å; F41-F111 HydrophobicContact CE1-CE2 4.34Å; F41-F111 AromaticContact CE1-CG 3.62Å; F41-F111 HydrophobicContact CE1-CG 3.62Å; F41-F111 HydrophobicContact CE2-CD2 4.03Å; F41-F111 HydrophobicContact CG-CB 4.13Å; F41-F111 HydrophobicContact CZ-CB 4.43Å; F41-F111 AromaticContact CZ-CD2 3.56Å; F41-F111 HydrophobicContact CZ-CD2 3.56Å; F41-F111 AromaticContact CZ-CE2 3.94Å; F41-F111 HydrophobicContact CZ-CE2 3.94Å; F41-F111 HydrophobicContact CZ-CG 4.01Å
42	M	97.4	Very high	94.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113.2	172.2	-168.4	-168.5	-63.5	0	0	109.5	T69 M103 F111 C113 V114 A122 L123 L126	M42-T69 WeakPolarHBondContact CA-OG1 3.39Å; M42-M103 HydrophobicContact CB-CE 3.93Å; M42-F111 PolarHBondContact N-O 3.38Å; M42-C113 CarbonylContact O-C 3.44Å; M42-C113 VanDerWaalsContact O-C 3.29Å; M42-C113 VanDerWaalsContact O-CA 3.29Å; M42-C113 WeakPolarHBondContact O-CA 3.36Å; M42-C113 WeakPolarHBondContact O-CB 3.42Å; M42-C113 PolarHBondContact O-N 3.17Å; M42-V114 HydrophobicContact CB-CG1 4.42Å; M42-V114 HydrophobicContact CG-CG1 3.73Å; M42-V114 PolarHBondContact O-N 3.26Å; M42-V114 HydrophobicContact SD-CG1 4.06Å; M42-V114 HydrophobicContact SD-CG2 4.29Å; M42-A122 HydrophobicContact SD-CB 3.91Å; M42-L123 HydrophobicContact CE-CD2 4.14Å; M42-L126 HydrophobicContact CE-CD1 3.2Å; M42-L126 HydrophobicContact SD-CD1 4.44Å
43	G	95	Very high	94.8	Very high	7 Å²	7	30 Å²	30	7%	0.072	18%	0.176	C	C	.	.			trans	90.9	145.8	-173.2	0	0	0	0	0	112.7	F41 S48 T69	F41-G43 PolarHBondContact O-N 3.13Å; G43-S48 WeakPolarHBondContact O-CB 3.25Å; G43-S48 PolarHBondContact O-OG 3.2Å; G43-T69 CarbonylContact C-O 3.59Å; G43-T69 WeakPolarHBondContact CA-O 3.38Å; G43-T69 PolarHBondContact N-O 3.29Å
44	S	93.7	Very high	94.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.			trans	-120.7	19.3	-175.7	73.8	0	0	0	0	113.7	Q49 T69 D70	S44-Q49 WeakPolarHBondContact O-CG 3.35Å; S44-Q49 PolarHBondContact O-NE2 2.95Å; S44-T69 PolarHBondContact N-O 3.38Å; S44-D70 WeakPolarHBondContact CB-OD2 3.38Å; S44-D70 PolarHBondContact N-OD2 2.79Å; S44-D70 WeakPolarHBondContact OG-CB 3.32Å; S44-D70 VanDerWaalsContact OG-CG 3.27Å; S44-D70 PolarHBondContact OG-OD2 3.35Å
45	G	92	Very high	94.9	Very high	31 Å²	31	27.5 Å²	27.5	32%	0.32	16%	0.162	S	C	.	.	S	Bend	trans	-69.1	-179.8	178.9	0	0	0	0	0	114.1	M47 S48 Q49	G45-M47 VanDerWaalsContact C-N 3.29Å; G45-M47 PolarHBondContact O-N 3.36Å; G45-M47 VanDerWaalsContact O-N 3.12Å; G45-S48 WeakPolarHBondContact O-CB 3.46Å; G45-S48 PolarHBondContact O-N 3.37Å; G45-Q49 PolarHBondContact O-N 3.49Å
46	N	91.1	Very high	95	Very high	130 Å²	130	24.6 Å²	24.6	70%	0.695	14%	0.138	S	C	*	.	H	α-helix	trans	-49.2	-44	-174.7	-66.3	-13.3	0	0	0	114.3	A50	N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 3.07Å
47	M	92.6	Very high	94.9	Very high	49 Å²	49	23.8 Å²	23.8	24%	0.241	14%	0.136	C	C	.	.	H	α-helix	trans	-71	-39.7	-178.9	-165.8	55.9	59.6	0	0	112.3	G45 A50 L51 I138 P162 T164	G45-M47 VanDerWaalsContact C-N 3.29Å; G45-M47 PolarHBondContact O-N 3.36Å; G45-M47 VanDerWaalsContact O-N 3.12Å; M47-A50 WeakPolarHBondContact O-CB 3.34Å; M47-A50 PolarHBondContact O-N 3.05Å; M47-L51 HydrophobicContact CG-CD1 4.34Å; M47-L51 WeakPolarHBondContact O-CD1 3.38Å; M47-L51 VanDerWaalsContact O-CG 3.28Å; M47-L51 WeakPolarHBondContact O-CG 3.47Å; M47-L51 PolarHBondContact O-N 3.02Å; M47-I138 HydrophobicContact CG-CG2 3.98Å; M47-P162 HydrophobicContact CG-CG 4.16Å; M47-P162 HydrophobicContact SD-CB 4.48Å; M47-P162 HydrophobicContact SD-CG 3.88Å; M47-T164 HydrophobicContact CE-CG2 3.58Å
48	S	94.9	Very high	94.5	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-50.1	175.4	-168	0	0	0	0	110.9	G43 G45 A50 L51 V52 M68	G43-S48 WeakPolarHBondContact O-CB 3.25Å; G43-S48 PolarHBondContact O-OG 3.2Å; G45-S48 WeakPolarHBondContact O-CB 3.46Å; G45-S48 PolarHBondContact O-N 3.37Å; S48-A50 VanDerWaalsContact C-N 3.26Å; S48-A50 PolarHBondContact O-N 3.46Å; S48-L51 PolarHBondContact O-N 3.46Å; S48-V52 WeakPolarHBondContact O-CG2 3.47Å; S48-V52 PolarHBondContact O-N 3.09Å; S48-M68 VanDerWaalsContact OG-CE 3.29Å; S48-M68 WeakPolarHBondContact OG-CE 3.48Å
49	Q	94	Very high	94.1	Very high	17 Å²	17	27.9 Å²	27.9	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-36.9	175.8	-65.8	-178.1	41.4	0	0	112	S44 G45 K53 M68 F81 L85 L88	S44-Q49 WeakPolarHBondContact O-CG 3.35Å; S44-Q49 PolarHBondContact O-NE2 2.95Å; G45-Q49 PolarHBondContact O-N 3.49Å; Q49-K53 WeakPolarHBondContact O-CB 3.18Å; Q49-K53 PolarHBondContact O-N 2.94Å; Q49-M68 HydrophobicContact CG-CE 4.27Å; Q49-F81 PolarHBondContact NE2-O 3.34Å; Q49-L85 HydrophobicContact CG-CD1 4.28Å; Q49-L88 HydrophobicContact CB-CD2 4.49Å; Q49-L88 HydrophobicContact CG-CD2 4.5Å
50	A	93.3	Very high	93.7	Very high	2 Å²	2	29 Å²	29	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-46.9	178.6	0	0	0	0	0	112.9	N46 M47 S48 G54 L167	N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 3.07Å; M47-A50 WeakPolarHBondContact O-CB 3.34Å; M47-A50 PolarHBondContact O-N 3.05Å; S48-A50 VanDerWaalsContact C-N 3.26Å; S48-A50 PolarHBondContact O-N 3.46Å; A50-G54 PolarHBondContact O-N 2.76Å; A50-L167 VanDerWaalsContact CA-CD2 3.45Å; A50-L167 HydrophobicContact CB-CD1 4.24Å; A50-L167 HydrophobicContact CB-CD2 3.62Å; A50-L167 HydrophobicContact CB-CG 3.57Å
51	L	96	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-54.2	177.1	-66.5	163.7	0	0	0	110.9	F41 M47 S48 K53 G54 F55 I138 I196 F197	F41-L51 HydrophobicContact CE1-CB 4.09Å; M47-L51 HydrophobicContact CG-CD1 4.34Å; M47-L51 WeakPolarHBondContact O-CD1 3.38Å; M47-L51 VanDerWaalsContact O-CG 3.28Å; M47-L51 WeakPolarHBondContact O-CG 3.47Å; M47-L51 PolarHBondContact O-N 3.02Å; S48-L51 PolarHBondContact O-N 3.46Å; L51-K53 PolarHBondContact O-N 2.97Å; L51-G54 PolarHBondContact O-N 3.28Å; L51-G54 VanDerWaalsContact O-N 3.15Å; L51-F55 HydrophobicContact CB-CD2 4.34Å; L51-F55 HydrophobicContact CB-CE2 3.94Å; L51-F55 HydrophobicContact CD2-CE2 4.42Å; L51-F55 HydrophobicContact CD2-CZ 4.34Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å; L51-F55 VanDerWaalsContact O-CG 3.28Å; L51-F55 WeakPolarHBondContact O-CG 3.29Å; L51-F55 PolarHBondContact O-N 2.88Å; L51-I138 HydrophobicContact CD1-CD1 3.16Å; L51-I138 HydrophobicContact CG-CD1 4.49Å; L51-I196 HydrophobicContact CD2-CD1 3.86Å; L51-F197 HydrophobicContact CD2-CE2 3.88Å; L51-F197 HydrophobicContact CD2-CZ 3.55Å
52	V	95.9	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-48.8	-178.5	174.3	0	0	0	0	110.7	F41 S48 G54 F55 L56 V66 M68 L88 V94	F41-V52 HydrophobicContact CD1-CG2 3.6Å; F41-V52 HydrophobicContact CD2-CG2 3.65Å; F41-V52 HydrophobicContact CE1-CG2 3.55Å; F41-V52 HydrophobicContact CE2-CG2 3.6Å; F41-V52 HydrophobicContact CG-CG2 3.67Å; F41-V52 HydrophobicContact CZ-CG2 3.55Å; S48-V52 WeakPolarHBondContact O-CG2 3.47Å; S48-V52 PolarHBondContact O-N 3.09Å; V52-G54 VanDerWaalsContact C-N 3.33Å; V52-G54 PolarHBondContact O-N 2.87Å; V52-F55 PolarHBondContact O-N 3Å; V52-L56 HydrophobicContact CG1-CD1 3.43Å; V52-L56 VanDerWaalsContact CG1-CD1 3.43Å; V52-L56 HydrophobicContact CG1-CG 4.29Å; V52-L56 WeakPolarHBondContact O-CB 3.5Å; V52-L56 WeakPolarHBondContact O-CD1 3.49Å; V52-L56 WeakPolarHBondContact O-CG 3.36Å; V52-L56 PolarHBondContact O-N 3.33Å; V52-V66 HydrophobicContact CG1-CG1 4Å; V52-V66 HydrophobicContact CG2-CG1 4.19Å; V52-M68 HydrophobicContact CB-SD 4.27Å; V52-M68 HydrophobicContact CG1-SD 4.1Å; V52-M68 HydrophobicContact CG2-CE 4.01Å; V52-M68 HydrophobicContact CG2-CG 4.3Å; V52-M68 HydrophobicContact CG2-SD 3.96Å; V52-L88 HydrophobicContact CB-CD2 4.17Å; V52-L88 HydrophobicContact CG1-CD1 4.39Å; V52-L88 HydrophobicContact CG1-CD2 3.82Å; V52-L88 HydrophobicContact CG1-CG 4.36Å; V52-V94 HydrophobicContact CG1-CG2 4.2Å
53	K	93.9	Very high	93.2	Very high	102 Å²	102	34 Å²	34	44%	0.443	20%	0.2	S	C	.	.	H	α-helix	trans	-60.9	-42.7	177.8	-174.1	177	178.4	179.3	0	112	Q49 L51 A57 L88 L167	Q49-K53 WeakPolarHBondContact O-CB 3.18Å; Q49-K53 PolarHBondContact O-N 2.94Å; L51-K53 PolarHBondContact O-N 2.97Å; K53-A57 WeakPolarHBondContact O-CB 3.48Å; K53-A57 PolarHBondContact O-N 2.69Å; K53-L88 HydrophobicContact CB-CD1 3.8Å; K53-L88 HydrophobicContact CG-CD1 4.2Å; K53-L167 HydrophobicContact CD-CD2 4.17Å
54	G	92.8	Very high	93.3	Very high	5 Å²	5	38.5 Å²	38.5	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-50.3	178.6	0	0	0	0	0	111.7	A50 L51 V52 A57 S58	A50-G54 PolarHBondContact O-N 2.76Å; L51-G54 PolarHBondContact O-N 3.28Å; L51-G54 VanDerWaalsContact O-N 3.15Å; V52-G54 VanDerWaalsContact C-N 3.33Å; V52-G54 PolarHBondContact O-N 2.87Å; G54-A57 PolarHBondContact O-N 3.3Å; G54-S58 WeakPolarHBondContact O-CB 3.22Å; G54-S58 PolarHBondContact O-N 3.15Å; G54-S58 PolarHBondContact O-OG 2.98Å
55	F	94.3	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-48.1	178.7	-63.5	-43.2	0	0	0	112	F41 L51 V52 A57 S58 N59 V60 M61 F111 L192 I196	F41-F55 HydrophobicContact CZ-CD2 4.25Å; F41-F55 HydrophobicContact CZ-CE2 4.26Å; L51-F55 HydrophobicContact CB-CD2 4.34Å; L51-F55 HydrophobicContact CB-CE2 3.94Å; L51-F55 HydrophobicContact CD2-CE2 4.42Å; L51-F55 HydrophobicContact CD2-CZ 4.34Å; L51-F55 WeakPolarHBondContact O-CD2 3.46Å; L51-F55 VanDerWaalsContact O-CG 3.28Å; L51-F55 WeakPolarHBondContact O-CG 3.29Å; L51-F55 PolarHBondContact O-N 2.88Å; V52-F55 PolarHBondContact O-N 3Å; F55-A57 PolarHBondContact O-N 3.09Å; F55-S58 PolarHBondContact O-N 3.38Å; F55-S58 VanDerWaalsContact O-N 3.13Å; F55-S58 PolarHBondContact O-OG 3.43Å; F55-N59 PolarHBondContact O-N 2.97Å; F55-V60 HydrophobicContact CB-CG2 4.03Å; F55-V60 HydrophobicContact CD1-CG2 4.2Å; F55-V60 PolarHBondContact O-N 3.34Å; F55-M61 HydrophobicContact CB-CE 3.55Å; F55-M61 HydrophobicContact CB-CG 3.82Å; F55-M61 HydrophobicContact CB-SD 3.53Å; F55-M61 VanDerWaalsContact CB-SD 3.53Å; F55-M61 HydrophobicContact CD2-CE 3.62Å; F55-M61 HydrophobicContact CD2-SD 4.15Å; F55-M61 HydrophobicContact CE2-CE 4.44Å; F55-M61 HydrophobicContact CG-CE 3.71Å; F55-M61 HydrophobicContact CG-SD 4.22Å; F55-F111 HydrophobicContact CE2-CZ 4.3Å; F55-L192 HydrophobicContact CB-CD1 4.29Å; F55-L192 HydrophobicContact CD1-CD1 3.41Å; F55-L192 VanDerWaalsContact CD1-CD1 3.41Å; F55-L192 HydrophobicContact CD1-CG 4.02Å; F55-L192 HydrophobicContact CD2-CD1 4.09Å; F55-L192 HydrophobicContact CE1-CD1 3.58Å; F55-L192 HydrophobicContact CE1-CG 3.62Å; F55-L192 VanDerWaalsContact CE1-O 3.31Å; F55-L192 WeakPolarHBondContact CE1-O 3.26Å; F55-L192 HydrophobicContact CE2-CD1 4.23Å; F55-L192 HydrophobicContact CE2-CD2 4.27Å; F55-L192 HydrophobicContact CE2-CG 4.22Å; F55-L192 HydrophobicContact CG-CD1 3.7Å; F55-L192 HydrophobicContact CG-CG 4.49Å; F55-L192 HydrophobicContact CZ-CD1 4Å; F55-L192 HydrophobicContact CZ-CD2 4.16Å; F55-L192 HydrophobicContact CZ-CG 3.74Å; F55-I196 HydrophobicContact CD1-CD1 3.64Å; F55-I196 HydrophobicContact CD1-CG1 4.01Å; F55-I196 HydrophobicContact CD1-CG2 4.2Å; F55-I196 HydrophobicContact CE1-CD1 3.22Å; F55-I196 HydrophobicContact CE1-CG1 3.58Å; F55-I196 HydrophobicContact CE2-CD1 4.28Å; F55-I196 HydrophobicContact CG-CD1 4.31Å; F55-I196 HydrophobicContact CZ-CD1 3.59Å; F55-I196 HydrophobicContact CZ-CG1 4.34Å
56	L	94.5	Very high	93.8	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-40.6	178.3	-67.4	165.5	0	0	0	112.3	V52 S58 N59 M61 N62 V66 L88 Y92 V94	V52-L56 HydrophobicContact CG1-CD1 3.43Å; V52-L56 VanDerWaalsContact CG1-CD1 3.43Å; V52-L56 HydrophobicContact CG1-CG 4.29Å; V52-L56 WeakPolarHBondContact O-CB 3.5Å; V52-L56 WeakPolarHBondContact O-CD1 3.49Å; V52-L56 WeakPolarHBondContact O-CG 3.36Å; V52-L56 PolarHBondContact O-N 3.33Å; L56-S58 PolarHBondContact O-N 3.37Å; L56-N59 PolarHBondContact O-N 3.14Å; L56-M61 HydrophobicContact CD2-CG 3.92Å; L56-M61 HydrophobicContact CG-CG 4.28Å; L56-N62 VanDerWaalsContact CD2-C 3.44Å; L56-V66 HydrophobicContact CD2-CG2 4.42Å; L56-L88 HydrophobicContact CD1-CD1 4.28Å; L56-Y92 HydrophobicContact CB-CD1 3.63Å; L56-Y92 HydrophobicContact CB-CD2 4.32Å; L56-Y92 HydrophobicContact CB-CE1 3.65Å; L56-Y92 HydrophobicContact CB-CE2 4.34Å; L56-Y92 HydrophobicContact CB-CG 3.98Å; L56-Y92 HydrophobicContact CD1-CD1 4.19Å; L56-Y92 HydrophobicContact CD1-CD2 3.91Å; L56-Y92 HydrophobicContact CD1-CG 3.69Å; L56-Y92 HydrophobicContact CD2-CD1 4.36Å; L56-Y92 HydrophobicContact CD2-CG 4.49Å; L56-Y92 HydrophobicContact CG-CD1 4.29Å; L56-Y92 HydrophobicContact CG-CG 4.28Å; L56-V94 HydrophobicContact CD1-CG2 3.56Å
57	A	91.3	Very high	94.1	Very high	61 Å²	61	31.7 Å²	31.7	50%	0.504	19%	0.185	S	C	.	.	H	α-helix	trans	-68	-22.9	176	0	0	0	0	0	113.3	K53 G54 F55	K53-A57 WeakPolarHBondContact O-CB 3.48Å; K53-A57 PolarHBondContact O-N 2.69Å; G54-A57 PolarHBondContact O-N 3.3Å; F55-A57 PolarHBondContact O-N 3.09Å
58	S	88.9	Confident	94.3	Very high	39 Å²	39	29.3 Å²	29.3	27%	0.273	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.2	175.1	73.4	0	0	0	0	114.1	G54 F55 L56 V60 S195	G54-S58 WeakPolarHBondContact O-CB 3.22Å; G54-S58 PolarHBondContact O-N 3.15Å; G54-S58 PolarHBondContact O-OG 2.98Å; F55-S58 PolarHBondContact O-N 3.38Å; F55-S58 VanDerWaalsContact O-N 3.13Å; F55-S58 PolarHBondContact O-OG 3.43Å; L56-S58 PolarHBondContact O-N 3.37Å; S58-V60 PolarHBondContact O-N 3.34Å; S58-V60 WeakPolarHBondContact OG-CG2 3.38Å; S58-S195 VanDerWaalsContact OG-CB 3.3Å; S58-S195 WeakPolarHBondContact OG-CB 3.48Å; S58-S195 PolarHBondContact OG-OG 2.66Å
59	N	89.8	Confident	94.4	Very high	137 Å²	137	29.3 Å²	29.3	73%	0.733	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	27.6	-177.8	-53.4	-46.6	0	0	0	114.5	F55 L56	F55-N59 PolarHBondContact O-N 2.97Å; L56-N59 PolarHBondContact O-N 3.14Å
60	V	89.8	Confident	94.4	Very high	23 Å²	23	29.8 Å²	29.8	14%	0.139	18%	0.176	C	C	.	.	S	Bend	trans	-87.3	-13.9	173.4	-60.7	0	0	0	0	113.1	M26 F55 S58 L192	M26-V60 HydrophobicContact CE-CB 4.35Å; M26-V60 HydrophobicContact CE-CG1 3.59Å; M26-V60 HydrophobicContact SD-CG1 4.43Å; F55-V60 HydrophobicContact CB-CG2 4.03Å; F55-V60 HydrophobicContact CD1-CG2 4.2Å; F55-V60 PolarHBondContact O-N 3.34Å; S58-V60 PolarHBondContact O-N 3.34Å; S58-V60 WeakPolarHBondContact OG-CG2 3.38Å; V60-L192 HydrophobicContact CG2-CD1 3.66Å
61	M	92.3	Very high	94.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	21%	0.21	C	C	.	.	S	Bend	trans	-146.5	158.4	171.5	65.3	179.8	56.9	0	0	109.2	Y39 F55 L56 V66 L192	Y39-M61 HydrophobicContact CD1-CE 4.38Å; Y39-M61 HydrophobicContact CD2-CE 3.93Å; Y39-M61 HydrophobicContact CD2-SD 4.43Å; Y39-M61 HydrophobicContact CE2-CB 4.28Å; Y39-M61 HydrophobicContact CE2-CE 4.1Å; Y39-M61 HydrophobicContact CG-CE 4.09Å; F55-M61 HydrophobicContact CB-CE 3.55Å; F55-M61 HydrophobicContact CB-CG 3.82Å; F55-M61 HydrophobicContact CB-SD 3.53Å; F55-M61 VanDerWaalsContact CB-SD 3.53Å; F55-M61 HydrophobicContact CD2-CE 3.62Å; F55-M61 HydrophobicContact CD2-SD 4.15Å; F55-M61 HydrophobicContact CE2-CE 4.44Å; F55-M61 HydrophobicContact CG-CE 3.71Å; F55-M61 HydrophobicContact CG-SD 4.22Å; L56-M61 HydrophobicContact CD2-CG 3.92Å; L56-M61 HydrophobicContact CG-CG 4.28Å; M61-V66 HydrophobicContact CG-CG2 4.35Å; M61-V66 HydrophobicContact SD-CG2 3.52Å; M61-V66 VanDerWaalsContact SD-CG2 3.52Å; M61-L192 HydrophobicContact CE-CD1 3.3Å; M61-L192 HydrophobicContact CE-CD2 4.08Å; M61-L192 HydrophobicContact CE-CG 4.33Å
62	N	94.7	Very high	93.5	Very high	100 Å²	100	41.9 Å²	41.9	54%	0.535	22%	0.222	S	C	.	.			trans	-105.4	158.2	172	-63.3	-49.9	0	0	0	110.8	L56 S64 Q65	L56-N62 VanDerWaalsContact CD2-C 3.44Å; N62-S64 PolarHBondContact O-N 2.99Å; N62-Q65 WeakPolarHBondContact O-CB 3.29Å; N62-Q65 PolarHBondContact O-N 3.25Å
63	G	96.4	Very high	92.9	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63	-27.7	-177.7	0	0	0	0	0	114	Q65 V66 Y92 G93	G63-Q65 PolarHBondContact O-N 3.44Å; G63-V66 PolarHBondContact O-N 3.35Å; G63-Y92 VanDerWaalsContact CA-O 3.28Å; G63-Y92 WeakPolarHBondContact CA-O 3.46Å; G63-G93 CarbonylContact C-O 3.37Å
64	S	96.9	Very high	92.2	Very high	100 Å²	100	40.3 Å²	40.3	70%	0.699	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-64.6	-15.6	173.7	59.9	0	0	0	0	114.2	N62	N62-S64 PolarHBondContact O-N 2.99Å
65	Q	97.7	Very high	91.4	Very high	17 Å²	17	45.9 Å²	45.9	8%	0.079	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-92.7	1	175	-58.3	177.5	-98	0	0	112.1	L34 A35 K37 Y39 N62 G63	L34-Q65 PolarHBondContact O-NE2 2.69Å; A35-Q65 PolarHBondContact O-NE2 3.48Å; A35-Q65 VanDerWaalsContact O-NE2 3.15Å; K37-Q65 PolarHBondContact O-NE2 3.43Å; Y39-Q65 HydrophobicContact CD2-CB 4.15Å; Y39-Q65 HydrophobicContact CE2-CB 4.48Å; Y39-Q65 PolarHBondContact N-O 3.06Å; N62-Q65 WeakPolarHBondContact O-CB 3.29Å; N62-Q65 PolarHBondContact O-N 3.25Å; G63-Q65 PolarHBondContact O-N 3.44Å
66	V	98.2	Very high	90.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.5	-170.6	-175.1	0	0	0	0	110.1	Y39 F41 V52 L56 M61 G63 M68 V94 E95	Y39-V66 WeakPolarHBondContact O-CA 3.47Å; F41-V66 HydrophobicContact CD2-CG1 3.77Å; F41-V66 HydrophobicContact CE2-CG1 3.88Å; V52-V66 HydrophobicContact CG1-CG1 4Å; V52-V66 HydrophobicContact CG2-CG1 4.19Å; L56-V66 HydrophobicContact CD2-CG2 4.42Å; M61-V66 HydrophobicContact CG-CG2 4.35Å; M61-V66 HydrophobicContact SD-CG2 3.52Å; M61-V66 VanDerWaalsContact SD-CG2 3.52Å; G63-V66 PolarHBondContact O-N 3.35Å; V66-M68 HydrophobicContact CG1-CG 4.16Å; V66-V94 HydrophobicContact CB-CG1 4.03Å; V66-V94 HydrophobicContact CB-CG2 4.17Å; V66-V94 HydrophobicContact CG1-CG1 3.69Å; V66-V94 HydrophobicContact CG1-CG2 4.34Å; V66-E95 PolarHBondContact O-N 3.13Å; V66-E95 VanDerWaalsContact O-N 3.13Å
67	T	98.2	Very high	88.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.4	165.2	-61	0	0	0	0	110	H38 Y39 G40 F41 E95 I97 M103 K106	H38-T67 PolarHBondContact CE1-OG1 3.45Å; H38-T67 PolarHBondContact NE2-OG1 2.83Å; Y39-T67 PolarHBondContact O-N 3.43Å; G40-T67 CarbonylContact C-O 3.56Å; G40-T67 WeakPolarHBondContact CA-O 3.32Å; F41-T67 PolarHBondContact N-O 3.49Å; T67-E95 WeakPolarHBondContact CA-O 3.39Å; T67-E95 HydrophobicContact CG2-CB 4.43Å; T67-E95 PolarHBondContact OG1-OE2 2.92Å; T67-I97 HydrophobicContact CG2-CD1 4Å; T67-I97 HydrophobicContact CG2-CG1 3.97Å; T67-M103 HydrophobicContact CG2-CB 3.82Å; T67-M103 HydrophobicContact CG2-CG 3.74Å; T67-K106 WeakPolarHBondContact OG1-CE 3.38Å; T67-K106 PolarHBondContact OG1-NZ 3.24Å
68	M	97.6	Very high	87.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	150.1	173	-61	-174.1	78.3	0	0	110.3	F41 S48 Q49 V52 V66 L85 L88 V94 E95 Y96 I97	F41-M68 HydrophobicContact CB-CG 4.1Å; S48-M68 VanDerWaalsContact OG-CE 3.29Å; S48-M68 WeakPolarHBondContact OG-CE 3.48Å; Q49-M68 HydrophobicContact CG-CE 4.27Å; V52-M68 HydrophobicContact CB-SD 4.27Å; V52-M68 HydrophobicContact CG1-SD 4.1Å; V52-M68 HydrophobicContact CG2-CE 4.01Å; V52-M68 HydrophobicContact CG2-CG 4.3Å; V52-M68 HydrophobicContact CG2-SD 3.96Å; V66-M68 HydrophobicContact CG1-CG 4.16Å; M68-L85 HydrophobicContact CE-CD1 4.11Å; M68-L85 HydrophobicContact SD-CD1 3.86Å; M68-L88 HydrophobicContact SD-CD2 3.8Å; M68-V94 HydrophobicContact CB-CG1 4.48Å; M68-V94 HydrophobicContact CG-CG1 3.76Å; M68-V94 HydrophobicContact SD-CG1 4.04Å; M68-E95 PolarHBondContact N-O 3.08Å; M68-Y96 HydrophobicContact CB-CD2 3.98Å; M68-Y96 WeakPolarHBondContact O-CA 3.43Å; M68-I97 PolarHBondContact O-N 3.29Å
69	T	96.2	Very high	86.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.4	179.3	56.6	0	0	0	0	112	F41 M42 G43 S44 I97 T99 N100 M103	F41-T69 PolarHBondContact O-N 2.88Å; F41-T69 PolarHBondContact O-OG1 3.09Å; M42-T69 WeakPolarHBondContact CA-OG1 3.39Å; G43-T69 CarbonylContact C-O 3.59Å; G43-T69 WeakPolarHBondContact CA-O 3.38Å; G43-T69 PolarHBondContact N-O 3.29Å; S44-T69 PolarHBondContact N-O 3.38Å; T69-I97 VanDerWaalsContact CA-O 3.26Å; T69-I97 WeakPolarHBondContact CA-O 3.35Å; T69-I97 HydrophobicContact CG2-CD1 4.26Å; T69-I97 HydrophobicContact CG2-CG1 3.62Å; T69-T99 WeakPolarHBondContact CG2-O 3.08Å; T69-N100 WeakPolarHBondContact CB-OD1 3.27Å; T69-N100 PolarHBondContact OG1-OD1 3.45Å; T69-M103 HydrophobicContact CG2-CB 3.39Å; T69-M103 HydrophobicContact CG2-CE 3.93Å; T69-M103 HydrophobicContact CG2-CG 3.71Å
70	D	93.2	Very high	85.6	Confident	27 Å²	27	58 Å²	58	14%	0.144	32%	0.315	C	S	.	.			trans	-156.7	160.7	166.9	-146.4	-69.6	0	0	0	110.2	S44 Y72 Y96 I97 Q98	S44-D70 WeakPolarHBondContact CB-OD2 3.38Å; S44-D70 PolarHBondContact N-OD2 2.79Å; S44-D70 WeakPolarHBondContact OG-CB 3.32Å; S44-D70 VanDerWaalsContact OG-CG 3.27Å; S44-D70 PolarHBondContact OG-OD2 3.35Å; D70-Y72 PolarHBondContact O-N 2.95Å; D70-Y72 VanDerWaalsContact OD1-CD2 3.25Å; D70-Y72 WeakPolarHBondContact OD1-CD2 3.47Å; D70-Y72 PolarHBondContact OD1-N 3.47Å; D70-Y96 HydrophobicContact CB-CE2 4.14Å; D70-Y96 WeakPolarHBondContact CB-OH 3.47Å; D70-I97 PolarHBondContact N-O 3.27Å; D70-Q98 CarbonylContact O-C 3.53Å; D70-Q98 VanDerWaalsContact O-CA 3.28Å; D70-Q98 WeakPolarHBondContact O-CA 3.4Å
71	R	87.7	Confident	85.1	Confident	189 Å²	189	59.7 Å²	59.7	71%	0.713	32%	0.32	S	S	*	.	S	Bend	trans	-65	-25.5	173	58.7	178.7	-83.2	170.7	-5	112
72	Y	84.3	Confident	84.7	Confident	67 Å²	67	59.6 Å²	59.6	26%	0.263	32%	0.32	S	S	.	.	S	Bend	trans	-88	129.6	-178.3	-56.5	-64.3	0	0	0	111.3	D70 F76 F81 Y96	D70-Y72 PolarHBondContact O-N 2.95Å; D70-Y72 VanDerWaalsContact OD1-CD2 3.25Å; D70-Y72 WeakPolarHBondContact OD1-CD2 3.47Å; D70-Y72 PolarHBondContact OD1-N 3.47Å; Y72-F76 AromaticContact CD1-CD1 3.68Å; Y72-F76 HydrophobicContact CD1-CD1 3.68Å; Y72-F76 AromaticContact CD1-CD2 3.76Å; Y72-F76 HydrophobicContact CD1-CD2 3.76Å; Y72-F76 AromaticContact CD1-CE1 3.64Å; Y72-F76 HydrophobicContact CD1-CE1 3.64Å; Y72-F76 AromaticContact CD1-CE2 3.74Å; Y72-F76 HydrophobicContact CD1-CE2 3.74Å; Y72-F76 AromaticContact CD1-CG 3.75Å; Y72-F76 HydrophobicContact CD1-CG 3.75Å; Y72-F76 AromaticContact CD1-CZ 3.69Å; Y72-F76 HydrophobicContact CD1-CZ 3.69Å; Y72-F76 HydrophobicContact CE1-CD1 4.26Å; Y72-F76 HydrophobicContact CE1-CD2 4.5Å; Y72-F76 AromaticContact CE1-CE1 3.74Å; Y72-F76 HydrophobicContact CE1-CE1 3.74Å; Y72-F76 HydrophobicContact CE1-CE2 4.03Å; Y72-F76 AromaticContact CE1-CZ 3.63Å; Y72-F76 HydrophobicContact CE1-CZ 3.63Å; Y72-F76 HydrophobicContact CG-CD1 4.19Å; Y72-F76 HydrophobicContact CG-CE1 4.47Å; Y72-F76 HydrophobicContact CG-CG 4.28Å; Y72-F81 HydrophobicContact CD2-CE1 4.29Å; Y72-F81 AromaticContact CD2-CZ 3.72Å; Y72-F81 HydrophobicContact CD2-CZ 3.72Å; Y72-F81 HydrophobicContact CG-CZ 4.19Å; Y72-Y96 PolarHBondContact O-OH 3.02Å
73	G	81.4	Confident	84.3	Confident	11 Å²	11	60.2 Å²	60.2	11%	0.113	32%	0.322	C	S	.	.			trans	-71.9	159.5	171.3	0	0	0	0	0	111.3	S75 F76 L82	G73-S75 PolarHBondContact O-N 2.93Å; G73-F76 VanDerWaalsContact O-CB 3.26Å; G73-F76 WeakPolarHBondContact O-CB 3.22Å; G73-F76 PolarHBondContact O-N 3.48Å; G73-L82 WeakPolarHBondContact O-CD1 3.19Å
74	L	79.2	Confident	84	Confident	59 Å²	59	62.9 Å²	62.9	31%	0.309	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.8	175.7	-67.6	175.5	0	0	0	113	L85 K86 Y96	L74-L85 HydrophobicContact CD2-CD2 4.15Å; L74-L85 HydrophobicContact CD2-CG 4.44Å; L74-K86 HydrophobicContact CD2-CG 4.07Å; L74-K86 WeakPolarHBondContact O-CE 3.4Å; L74-K86 PolarHBondContact O-NZ 3.29Å; L74-Y96 HydrophobicContact CD1-CD1 3.95Å; L74-Y96 HydrophobicContact CD1-CG 4.5Å; L74-Y96 HydrophobicContact CD2-CD1 3.69Å; L74-Y96 HydrophobicContact CD2-CE1 3.76Å; L74-Y96 HydrophobicContact CD2-CG 4.14Å; L74-Y96 HydrophobicContact CG-CD1 3.5Å; L74-Y96 HydrophobicContact CG-CE1 3.73Å; L74-Y96 HydrophobicContact CG-CG 4.32Å
75	S	77.6	Confident	83.7	Confident	121 Å²	121	58.1 Å²	58.1	85%	0.846	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	5.7	176.4	-51.3	0	0	0	0	114	G73	G73-S75 PolarHBondContact O-N 2.93Å
76	F	74.4	Confident	83.4	Confident	70 Å²	70	61.3 Å²	61.3	31%	0.307	32%	0.319	S	S	.	.			trans	-66.8	137.3	-178	-167.8	-100.8	0	0	0	111.8	Y72 G73 D78 L82	Y72-F76 AromaticContact CD1-CD1 3.68Å; Y72-F76 HydrophobicContact CD1-CD1 3.68Å; Y72-F76 AromaticContact CD1-CD2 3.76Å; Y72-F76 HydrophobicContact CD1-CD2 3.76Å; Y72-F76 AromaticContact CD1-CE1 3.64Å; Y72-F76 HydrophobicContact CD1-CE1 3.64Å; Y72-F76 AromaticContact CD1-CE2 3.74Å; Y72-F76 HydrophobicContact CD1-CE2 3.74Å; Y72-F76 AromaticContact CD1-CG 3.75Å; Y72-F76 HydrophobicContact CD1-CG 3.75Å; Y72-F76 AromaticContact CD1-CZ 3.69Å; Y72-F76 HydrophobicContact CD1-CZ 3.69Å; Y72-F76 HydrophobicContact CE1-CD1 4.26Å; Y72-F76 HydrophobicContact CE1-CD2 4.5Å; Y72-F76 AromaticContact CE1-CE1 3.74Å; Y72-F76 HydrophobicContact CE1-CE1 3.74Å; Y72-F76 HydrophobicContact CE1-CE2 4.03Å; Y72-F76 AromaticContact CE1-CZ 3.63Å; Y72-F76 HydrophobicContact CE1-CZ 3.63Å; Y72-F76 HydrophobicContact CG-CD1 4.19Å; Y72-F76 HydrophobicContact CG-CE1 4.47Å; Y72-F76 HydrophobicContact CG-CG 4.28Å; G73-F76 VanDerWaalsContact O-CB 3.26Å; G73-F76 WeakPolarHBondContact O-CB 3.22Å; G73-F76 PolarHBondContact O-N 3.48Å; F76-D78 HydrophobicContact CD1-CB 3.9Å; F76-D78 HydrophobicContact CE1-CB 3.72Å; F76-D78 WeakPolarHBondContact CE1-OD2 3.4Å; F76-D78 PolarHBondContact O-N 3.5Å; F76-L82 HydrophobicContact CB-CD1 3.97Å
77	P	57.1	Low	83.1	Confident	111 Å²	111	64.1 Å²	64.1	72%	0.721	34%	0.342	S	S	*	.	S	Bend	trans	-69.3	-23.5	-169.8	22.7	-32.4	0	0	0	115.7	A79	P77-A79 PolarHBondContact O-N 3.36Å
78	D	61.9	Low	82.8	Confident	111 Å²	111	64.6 Å²	64.6	59%	0.594	35%	0.345	S	S	*	.			trans	-76.8	56.9	171.7	-65	-29.8	0	0	0	111.2	F76 E80 F81	F76-D78 HydrophobicContact CD1-CB 3.9Å; F76-D78 HydrophobicContact CE1-CB 3.72Å; F76-D78 WeakPolarHBondContact CE1-OD2 3.4Å; F76-D78 PolarHBondContact O-N 3.5Å; D78-E80 VanDerWaalsContact C-N 3.3Å; D78-E80 PolarHBondContact O-N 3.02Å; D78-F81 WeakPolarHBondContact O-CD1 3.36Å
79	A	64.7	Low	82.6	Confident	35 Å²	35	65.4 Å²	65.4	29%	0.289	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.7	-159.1	0	0	0	0	0	115.2	P77 F81 L82 I83	P77-A79 PolarHBondContact O-N 3.36Å; A79-F81 PolarHBondContact O-N 3.45Å; A79-L82 CarbonylContact O-C 3.51Å; A79-L82 WeakPolarHBondContact O-CA 3.26Å; A79-L82 WeakPolarHBondContact O-CB 3.43Å; A79-L82 PolarHBondContact O-N 2.86Å; A79-I83 WeakPolarHBondContact O-CG1 3.46Å; A79-I83 PolarHBondContact O-N 2.96Å
80	E	78.2	Confident	82.5	Confident	168 Å²	168	70.5 Å²	70.5	79%	0.785	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-43.7	-172.6	-71	-168.4	173.5	0	0	112.7	D78 L82 I83 P84	D78-E80 VanDerWaalsContact C-N 3.3Å; D78-E80 PolarHBondContact O-N 3.02Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.23Å; E80-I83 PolarHBondContact O-N 2.67Å; E80-P84 WeakPolarHBondContact O-CD 3.48Å
81	F	79.4	Confident	82.6	Confident	59 Å²	59	76.1 Å²	76.1	26%	0.259	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-21	176.1	86.6	-88.8	0	0	0	112.7	Q49 Y72 D78 A79 P84	Q49-F81 PolarHBondContact NE2-O 3.34Å; Y72-F81 HydrophobicContact CD2-CE1 4.29Å; Y72-F81 AromaticContact CD2-CZ 3.72Å; Y72-F81 HydrophobicContact CD2-CZ 3.72Å; Y72-F81 HydrophobicContact CG-CZ 4.19Å; D78-F81 WeakPolarHBondContact O-CD1 3.36Å; A79-F81 PolarHBondContact O-N 3.45Å; F81-P84 WeakPolarHBondContact O-CD 3.44Å; F81-P84 WeakPolarHBondContact O-CG 3.31Å
82	L	83.2	Confident	83	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-77.5	-21.6	175.4	-64.8	178	0	0	0	112.3	G73 F76 A79 E80 L85 K86	G73-L82 WeakPolarHBondContact O-CD1 3.19Å; F76-L82 HydrophobicContact CB-CD1 3.97Å; A79-L82 CarbonylContact O-C 3.51Å; A79-L82 WeakPolarHBondContact O-CA 3.26Å; A79-L82 WeakPolarHBondContact O-CB 3.43Å; A79-L82 PolarHBondContact O-N 2.86Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.23Å; L82-L85 HydrophobicContact CD2-CD2 3.76Å; L82-L85 PolarHBondContact O-N 2.73Å; L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 VanDerWaalsContact O-CG 3.27Å; L82-K86 WeakPolarHBondContact O-CG 3.49Å; L82-K86 PolarHBondContact O-N 3.38Å
83	I	86.7	Confident	83.6	Confident	113 Å²	113	69 Å²	69	58%	0.579	40%	0.398	S	S	*	.	H	α-helix	trans	-57.4	-56.3	176	-66.2	166.9	0	0	0	111.7	A79 E80 L85 K86 A87	A79-I83 WeakPolarHBondContact O-CG1 3.46Å; A79-I83 PolarHBondContact O-N 2.96Å; E80-I83 PolarHBondContact O-N 2.67Å; I83-L85 VanDerWaalsContact C-N 3.26Å; I83-L85 PolarHBondContact O-N 3.06Å; I83-K86 PolarHBondContact O-N 3.11Å; I83-A87 PolarHBondContact O-N 3.29Å; I83-A87 VanDerWaalsContact O-N 3.08Å
84	P	89.5	Confident	84.3	Confident	61 Å²	61	69 Å²	69	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-64.9	-31.1	178.2	25.8	-34.7	0	0	0	112.5	E80 F81 L88	E80-P84 WeakPolarHBondContact O-CD 3.48Å; F81-P84 WeakPolarHBondContact O-CD 3.44Å; F81-P84 WeakPolarHBondContact O-CG 3.31Å; P84-L88 WeakPolarHBondContact O-CB 3.4Å; P84-L88 PolarHBondContact O-N 2.92Å
85	L	90.9	Very high	85.2	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-47.7	175.9	-179.5	62.9	0	0	0	112.4	Q49 M68 L74 L82 I83 A87 L88 C89 Y96	Q49-L85 HydrophobicContact CG-CD1 4.28Å; M68-L85 HydrophobicContact CE-CD1 4.11Å; M68-L85 HydrophobicContact SD-CD1 3.86Å; L74-L85 HydrophobicContact CD2-CD2 4.15Å; L74-L85 HydrophobicContact CD2-CG 4.44Å; L82-L85 HydrophobicContact CD2-CD2 3.76Å; L82-L85 PolarHBondContact O-N 2.73Å; I83-L85 VanDerWaalsContact C-N 3.26Å; I83-L85 PolarHBondContact O-N 3.06Å; L85-A87 VanDerWaalsContact C-N 3.3Å; L85-A87 PolarHBondContact O-N 2.97Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.11Å; L85-C89 PolarHBondContact O-N 3.26Å; L85-C89 PolarHBondContact O-SG 3.26Å; L85-Y96 HydrophobicContact CD1-CD2 4.36Å; L85-Y96 HydrophobicContact CD2-CD2 3.98Å; L85-Y96 HydrophobicContact CD2-CE2 3.52Å; L85-Y96 HydrophobicContact CG-CD2 4.47Å; L85-Y96 HydrophobicContact CG-CE2 4.45Å
86	K	91.1	Very high	86	Confident	84 Å²	84	66.1 Å²	66.1	37%	0.365	37%	0.366	S	S	.	.	H	α-helix	trans	-57.4	-45.8	174.5	-75.3	173.3	-177	178.5	0	110.7	L74 L82 I83 L88 C89 S90	L74-K86 HydrophobicContact CD2-CG 4.07Å; L74-K86 WeakPolarHBondContact O-CE 3.4Å; L74-K86 PolarHBondContact O-NZ 3.29Å; L82-K86 WeakPolarHBondContact O-CB 3.42Å; L82-K86 VanDerWaalsContact O-CG 3.27Å; L82-K86 WeakPolarHBondContact O-CG 3.49Å; L82-K86 PolarHBondContact O-N 3.38Å; I83-K86 PolarHBondContact O-N 3.11Å; K86-L88 VanDerWaalsContact C-N 3.3Å; K86-L88 PolarHBondContact O-N 3.46Å; K86-C89 PolarHBondContact O-N 3.26Å; K86-S90 WeakPolarHBondContact O-CB 3.38Å; K86-S90 PolarHBondContact O-N 2.97Å; K86-S90 PolarHBondContact O-OG 3.31Å; K86-S90 VanDerWaalsContact O-OG 3.12Å
87	A	92.3	Very high	87	Confident	61 Å²	61	64.3 Å²	64.3	50%	0.504	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-38.2	176.7	0	0	0	0	0	112.3	I83 L85 K91	I83-A87 PolarHBondContact O-N 3.29Å; I83-A87 VanDerWaalsContact O-N 3.08Å; L85-A87 VanDerWaalsContact C-N 3.3Å; L85-A87 PolarHBondContact O-N 2.97Å; A87-K91 WeakPolarHBondContact O-CB 3.48Å; A87-K91 PolarHBondContact O-N 2.95Å
88	L	93.1	Very high	88.7	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-63.7	-51.6	174.8	-178.1	71.2	0	0	0	111.4	Q49 V52 K53 L56 M68 P84 L85 K86 K91 Y92	Q49-L88 HydrophobicContact CB-CD2 4.49Å; Q49-L88 HydrophobicContact CG-CD2 4.5Å; V52-L88 HydrophobicContact CB-CD2 4.17Å; V52-L88 HydrophobicContact CG1-CD1 4.39Å; V52-L88 HydrophobicContact CG1-CD2 3.82Å; V52-L88 HydrophobicContact CG1-CG 4.36Å; K53-L88 HydrophobicContact CB-CD1 3.8Å; K53-L88 HydrophobicContact CG-CD1 4.2Å; L56-L88 HydrophobicContact CD1-CD1 4.28Å; M68-L88 HydrophobicContact SD-CD2 3.8Å; P84-L88 WeakPolarHBondContact O-CB 3.4Å; P84-L88 PolarHBondContact O-N 2.92Å; L85-L88 WeakPolarHBondContact O-CB 3.39Å; L85-L88 PolarHBondContact O-N 3.46Å; L85-L88 VanDerWaalsContact O-N 3.11Å; K86-L88 VanDerWaalsContact C-N 3.3Å; K86-L88 PolarHBondContact O-N 3.46Å; L88-K91 PolarHBondContact O-N 3.04Å; L88-Y92 HydrophobicContact CD1-CD2 3.76Å; L88-Y92 HydrophobicContact CD1-CE2 3.96Å; L88-Y92 PolarHBondContact O-N 3.07Å; L88-Y92 VanDerWaalsContact O-N 3.09Å
89	C	93.7	Very high	90.3	Very high	16 Å²	16	62.7 Å²	62.7	11%	0.108	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-50.4	178.3	-69.1	0	0	0	0	111.8	L85 K86 K91 G93 V94	L85-C89 PolarHBondContact O-N 3.26Å; L85-C89 PolarHBondContact O-SG 3.26Å; K86-C89 PolarHBondContact O-N 3.26Å; C89-K91 PolarHBondContact O-N 3.16Å; C89-G93 VanDerWaalsContact O-CA 3.28Å; C89-G93 WeakPolarHBondContact O-CA 3.45Å; C89-G93 PolarHBondContact O-N 2.96Å; C89-V94 PolarHBondContact O-N 3.25Å; C89-V94 PolarHBondContact SG-O 3.44Å
90	S	93.9	Very high	91.8	Very high	108 Å²	108	62.8 Å²	62.8	76%	0.755	34%	0.34	S	S	*	.	H	α-helix	trans	-64.7	-37.2	179.4	-60.9	0	0	0	0	113	K86	K86-S90 WeakPolarHBondContact O-CB 3.38Å; K86-S90 PolarHBondContact O-N 2.97Å; K86-S90 PolarHBondContact O-OG 3.31Å; K86-S90 VanDerWaalsContact O-OG 3.12Å
91	K	95.5	Very high	92.7	Very high	145 Å²	145	58.1 Å²	58.1	63%	0.63	32%	0.318	S	S	*	.	H	α-helix	trans	-71.9	-38	-177.7	-179.3	177.9	176.5	-161.7	0	112.9	A87 L88 C89	A87-K91 WeakPolarHBondContact O-CB 3.48Å; A87-K91 PolarHBondContact O-N 2.95Å; L88-K91 PolarHBondContact O-N 3.04Å; C89-K91 PolarHBondContact O-N 3.16Å
92	Y	95.8	Very high	93.5	Very high	55 Å²	55	57.9 Å²	57.9	22%	0.216	32%	0.322	C	S	.	.	H	α-helix	trans	-112.5	-9.5	-171	-67.3	-78.8	0	0	0	114.3	L56 G63 L88	L56-Y92 HydrophobicContact CB-CD1 3.63Å; L56-Y92 HydrophobicContact CB-CD2 4.32Å; L56-Y92 HydrophobicContact CB-CE1 3.65Å; L56-Y92 HydrophobicContact CB-CE2 4.34Å; L56-Y92 HydrophobicContact CB-CG 3.98Å; L56-Y92 HydrophobicContact CD1-CD1 4.19Å; L56-Y92 HydrophobicContact CD1-CD2 3.91Å; L56-Y92 HydrophobicContact CD1-CG 3.69Å; L56-Y92 HydrophobicContact CD2-CD1 4.36Å; L56-Y92 HydrophobicContact CD2-CG 4.49Å; L56-Y92 HydrophobicContact CG-CD1 4.29Å; L56-Y92 HydrophobicContact CG-CG 4.28Å; G63-Y92 VanDerWaalsContact CA-O 3.28Å; G63-Y92 WeakPolarHBondContact CA-O 3.46Å; L88-Y92 HydrophobicContact CD1-CD2 3.76Å; L88-Y92 HydrophobicContact CD1-CE2 3.96Å; L88-Y92 PolarHBondContact O-N 3.07Å; L88-Y92 VanDerWaalsContact O-N 3.09Å
93	G	96	Very high	94.2	Very high	52 Å²	52	57.9 Å²	57.9	54%	0.536	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	33.6	-174.2	0	0	0	0	0	112.8	G63 C89	G63-G93 CarbonylContact C-O 3.37Å; C89-G93 VanDerWaalsContact O-CA 3.28Å; C89-G93 WeakPolarHBondContact O-CA 3.45Å; C89-G93 PolarHBondContact O-N 2.96Å
94	V	97	Very high	94.7	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.055	29%	0.294	C	S	.	.			trans	-75.2	129	176	173.9	0	0	0	0	109.4	V52 L56 V66 M68 C89	V52-V94 HydrophobicContact CG1-CG2 4.2Å; L56-V94 HydrophobicContact CD1-CG2 3.56Å; V66-V94 HydrophobicContact CB-CG1 4.03Å; V66-V94 HydrophobicContact CB-CG2 4.17Å; V66-V94 HydrophobicContact CG1-CG1 3.69Å; V66-V94 HydrophobicContact CG1-CG2 4.34Å; M68-V94 HydrophobicContact CB-CG1 4.48Å; M68-V94 HydrophobicContact CG-CG1 3.76Å; M68-V94 HydrophobicContact SD-CG1 4.04Å; C89-V94 PolarHBondContact O-N 3.25Å; C89-V94 PolarHBondContact SG-O 3.44Å
95	E	96.8	Very high	95.1	Very high	90 Å²	90	54.4 Å²	54.4	42%	0.421	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.7	175.1	-167	-175	158.6	0	0	110.6	V66 T67 M68 I97 K106	V66-E95 PolarHBondContact O-N 3.13Å; V66-E95 VanDerWaalsContact O-N 3.13Å; T67-E95 WeakPolarHBondContact CA-O 3.39Å; T67-E95 HydrophobicContact CG2-CB 4.43Å; T67-E95 PolarHBondContact OG1-OE2 2.92Å; M68-E95 PolarHBondContact N-O 3.08Å; E95-I97 HydrophobicContact CG-CG2 4.19Å; E95-K106 IonicContact OE1-NZ 2.69Å; E95-K106 PolarHBondContact OE1-NZ 3.3Å; E95-K106 IonicContact OE2-NZ 3.19Å; E95-K106 PolarHBondContact OE2-NZ 3.05Å
96	Y	95.6	Very high	95.3	Very high	30 Å²	30	57.8 Å²	57.8	12%	0.118	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.6	177.3	-178.4	-93	0	0	0	110.5	M68 D70 Y72 L74 L85	M68-Y96 HydrophobicContact CB-CD2 3.98Å; M68-Y96 WeakPolarHBondContact O-CA 3.43Å; D70-Y96 HydrophobicContact CB-CE2 4.14Å; D70-Y96 WeakPolarHBondContact CB-OH 3.47Å; Y72-Y96 PolarHBondContact O-OH 3.02Å; L74-Y96 HydrophobicContact CD1-CD1 3.95Å; L74-Y96 HydrophobicContact CD1-CG 4.5Å; L74-Y96 HydrophobicContact CD2-CD1 3.69Å; L74-Y96 HydrophobicContact CD2-CE1 3.76Å; L74-Y96 HydrophobicContact CD2-CG 4.14Å; L74-Y96 HydrophobicContact CG-CD1 3.5Å; L74-Y96 HydrophobicContact CG-CE1 3.73Å; L74-Y96 HydrophobicContact CG-CG 4.32Å; L85-Y96 HydrophobicContact CD1-CD2 4.36Å; L85-Y96 HydrophobicContact CD2-CD2 3.98Å; L85-Y96 HydrophobicContact CD2-CE2 3.52Å; L85-Y96 HydrophobicContact CG-CD2 4.47Å; L85-Y96 HydrophobicContact CG-CE2 4.45Å
97	I	95	Very high	95.7	Very high	33 Å²	33	53.8 Å²	53.8	17%	0.169	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	161	-179.2	67.3	177.4	0	0	0	111.2	T67 M68 T69 D70 E95 T99 P102 M103	T67-I97 HydrophobicContact CG2-CD1 4Å; T67-I97 HydrophobicContact CG2-CG1 3.97Å; M68-I97 PolarHBondContact O-N 3.29Å; T69-I97 VanDerWaalsContact CA-O 3.26Å; T69-I97 WeakPolarHBondContact CA-O 3.35Å; T69-I97 HydrophobicContact CG2-CD1 4.26Å; T69-I97 HydrophobicContact CG2-CG1 3.62Å; D70-I97 PolarHBondContact N-O 3.27Å; E95-I97 HydrophobicContact CG-CG2 4.19Å; I97-T99 WeakPolarHBondContact CD1-O 3.46Å; I97-T99 WeakPolarHBondContact CG1-O 3.12Å; I97-P102 HydrophobicContact CD1-CB 3.91Å; I97-P102 HydrophobicContact CD1-CG 4.3Å; I97-M103 HydrophobicContact CD1-CB 3.92Å; I97-M103 HydrophobicContact CG1-CB 4.49Å
98	Q	93.3	Very high	95.9	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	29%	0.286	S	S	.	.	S	Bend	trans	-94.7	-3.1	-174.1	-68.7	-175.5	-96.2	0	0	115	D70	D70-Q98 CarbonylContact O-C 3.53Å; D70-Q98 VanDerWaalsContact O-CA 3.28Å; D70-Q98 WeakPolarHBondContact O-CA 3.4Å
99	T	93.9	Very high	96.1	Very high	72 Å²	72	53.2 Å²	53.2	44%	0.442	28%	0.284	S	S	.	.			trans	-125.2	142.6	-176.7	50.8	0	0	0	0	110.2	T69 I97 P102	T69-T99 WeakPolarHBondContact CG2-O 3.08Å; I97-T99 WeakPolarHBondContact CD1-O 3.46Å; I97-T99 WeakPolarHBondContact CG1-O 3.12Å; T99-P102 WeakPolarHBondContact OG1-CD 3.42Å
100	N	96.5	Very high	96.4	Very high	38 Å²	38	52.4 Å²	52.4	20%	0.203	28%	0.279	C	S	.	.	H	α-helix	trans	-81.6	-31.1	-174.1	-70.2	-31.1	0	0	0	111.7	T69 M103 V104 L126	T69-N100 WeakPolarHBondContact CB-OD1 3.27Å; T69-N100 PolarHBondContact OG1-OD1 3.45Å; N100-M103 WeakPolarHBondContact O-CB 3.44Å; N100-M103 PolarHBondContact O-N 2.85Å; N100-M103 VanDerWaalsContact O-N 3.16Å; N100-V104 WeakPolarHBondContact O-CG2 3.35Å; N100-V104 PolarHBondContact O-N 3.03Å; N100-L126 HydrophobicContact CB-CD1 3.7Å; N100-L126 HydrophobicContact CB-CD2 3.8Å; N100-L126 HydrophobicContact CB-CG 4.3Å
101	E	96.7	Very high	96.6	Very high	69 Å²	69	47.3 Å²	47.3	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-52.7	-172.7	-60.3	74.7	-174.2	0	0	111.5	M103 V104 E105 L126	E101-M103 VanDerWaalsContact C-N 3.27Å; E101-M103 PolarHBondContact O-N 3.33Å; E101-V104 PolarHBondContact O-N 3.38Å; E101-E105 VanDerWaalsContact O-CG 3.32Å; E101-E105 WeakPolarHBondContact O-CG 3.38Å; E101-E105 PolarHBondContact O-N 3.47Å; E101-L126 HydrophobicContact CB-CD2 4.45Å; E101-L126 HydrophobicContact CG-CD2 3.89Å
102	P	96.7	Very high	96.7	Very high	54 Å²	54	40.4 Å²	40.4	35%	0.351	21%	0.213	S	C	.	.	H	α-helix	trans	-68.7	-27.4	179.9	-15.6	31.7	0	0	0	112.5	I97 T99 K106	I97-P102 HydrophobicContact CD1-CB 3.91Å; I97-P102 HydrophobicContact CD1-CG 4.3Å; T99-P102 WeakPolarHBondContact OG1-CD 3.42Å; P102-K106 WeakPolarHBondContact O-CE 3.36Å; P102-K106 WeakPolarHBondContact O-CG 3.36Å
103	M	97.6	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.7	-45.9	174.9	173.1	-84.6	-69.6	0	0	111	G40 M42 T67 T69 I97 N100 E101 K106 S107 V110	G40-M103 WeakPolarHBondContact CA-SD 3.44Å; M42-M103 HydrophobicContact CB-CE 3.93Å; T67-M103 HydrophobicContact CG2-CB 3.82Å; T67-M103 HydrophobicContact CG2-CG 3.74Å; T69-M103 HydrophobicContact CG2-CB 3.39Å; T69-M103 HydrophobicContact CG2-CE 3.93Å; T69-M103 HydrophobicContact CG2-CG 3.71Å; I97-M103 HydrophobicContact CD1-CB 3.92Å; I97-M103 HydrophobicContact CG1-CB 4.49Å; N100-M103 WeakPolarHBondContact O-CB 3.44Å; N100-M103 PolarHBondContact O-N 2.85Å; N100-M103 VanDerWaalsContact O-N 3.16Å; E101-M103 VanDerWaalsContact C-N 3.27Å; E101-M103 PolarHBondContact O-N 3.33Å; M103-K106 WeakPolarHBondContact O-CG 3.2Å; M103-S107 VanDerWaalsContact O-CB 3.29Å; M103-S107 WeakPolarHBondContact O-CB 3.26Å; M103-S107 PolarHBondContact O-N 3.02Å; M103-S107 PolarHBondContact O-OG 3.42Å; M103-V110 HydrophobicContact CE-CG1 4.49Å; M103-V110 HydrophobicContact SD-CG1 4.41Å
104	V	98.1	Very high	96.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-41.8	-179.4	172.5	0	0	0	0	110.8	N100 E101 K106 S107 V110 L126 R129 L130	N100-V104 WeakPolarHBondContact O-CG2 3.35Å; N100-V104 PolarHBondContact O-N 3.03Å; E101-V104 PolarHBondContact O-N 3.38Å; V104-K106 PolarHBondContact O-N 3.31Å; V104-S107 PolarHBondContact O-N 3.31Å; V104-V110 HydrophobicContact CG1-CG2 4.39Å; V104-V110 HydrophobicContact CG2-CG1 4.35Å; V104-V110 HydrophobicContact CG2-CG2 4.37Å; V104-L126 HydrophobicContact CG2-CD1 4.14Å; V104-L126 HydrophobicContact CG2-CD2 4.19Å; V104-R129 HydrophobicContact CG1-CB 3.76Å; V104-L130 HydrophobicContact CG1-CD2 3.83Å; V104-L130 HydrophobicContact CG1-CG 4.34Å
105	E	97.2	Very high	96.5	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	22%	0.218	S	C	.	.	H	α-helix	trans	-56.3	-48	-179.1	-76.2	168.2	-172	0	0	112.2	E101 R129 K133	E101-E105 VanDerWaalsContact O-CG 3.32Å; E101-E105 WeakPolarHBondContact O-CG 3.38Å; E101-E105 PolarHBondContact O-N 3.47Å; E105-R129 HydrophobicContact CG-CG 4.2Å; E105-R129 IonicContact OE1-CZ 2.95Å; E105-R129 IonicContact OE1-NE 3.99Å; E105-R129 PolarHBondContact OE1-NE 3.14Å; E105-R129 IonicContact OE1-NH2 2.69Å; E105-K133 PolarHBondContact O-NZ 3.08Å; E105-K133 VanDerWaalsContact O-NZ 3.1Å
106	K	96.4	Very high	96.2	Very high	70 Å²	70	41.1 Å²	41.1	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-80.6	-11.5	-180	68.9	-177.5	155.7	179.3	0	115.3	H38 T67 E95 P102 M103 V104	H38-K106 VanDerWaalsContact CB-O 3.31Å; H38-K106 WeakPolarHBondContact CB-O 3.46Å; T67-K106 WeakPolarHBondContact OG1-CE 3.38Å; T67-K106 PolarHBondContact OG1-NZ 3.24Å; E95-K106 IonicContact OE1-NZ 2.69Å; E95-K106 PolarHBondContact OE1-NZ 3.3Å; E95-K106 IonicContact OE2-NZ 3.19Å; E95-K106 PolarHBondContact OE2-NZ 3.05Å; P102-K106 WeakPolarHBondContact O-CE 3.36Å; P102-K106 WeakPolarHBondContact O-CG 3.36Å; M103-K106 WeakPolarHBondContact O-CG 3.2Å; V104-K106 PolarHBondContact O-N 3.31Å
107	S	98.1	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.			trans	-90.8	138.4	-174.2	-62.6	0	0	0	0	112.2	H38 G40 M103 V104 K133	H38-S107 PolarHBondContact ND1-OG 2.97Å; H38-S107 VanDerWaalsContact ND1-OG 3.16Å; G40-S107 WeakPolarHBondContact CA-OG 3.47Å; G40-S107 PolarHBondContact N-OG 3.35Å; G40-S107 VanDerWaalsContact N-OG 3.11Å; M103-S107 VanDerWaalsContact O-CB 3.29Å; M103-S107 WeakPolarHBondContact O-CB 3.26Å; M103-S107 PolarHBondContact O-N 3.02Å; M103-S107 PolarHBondContact O-OG 3.42Å; V104-S107 PolarHBondContact O-N 3.31Å; S107-K133 VanDerWaalsContact O-CD 3.3Å; S107-K133 WeakPolarHBondContact O-CD 3.34Å; S107-K133 VanDerWaalsContact O-CE 3.32Å; S107-K133 WeakPolarHBondContact O-CE 3.21Å; S107-K133 PolarHBondContact O-NZ 3.26Å
108	D	96.9	Very high	95.9	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	24%	0.243	S	C	.	.	S	Bend	trans	-82.6	-39	167.5	-63.2	-85.3	0	0	0	111.3	K37 H38 L134	K37-D108 WeakPolarHBondContact CA-OD2 3.15Å; K37-D108 HydrophobicContact CB-CB 4.33Å; K37-D108 HydrophobicContact CD-CB 3.63Å; K37-D108 HydrophobicContact CG-CB 4.5Å; K37-D108 IonicContact NZ-OD1 3.7Å; H38-D108 PolarHBondContact N-OD2 3.06Å; H38-D108 PolarHBondContact O-N 3.45Å; D108-L134 PolarHBondContact O-N 2.83Å
109	V	98.3	Very high	96.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.8	-179.9	-174	0	0	0	0	108.5	H38 Y39 G40 F111 L134 V136 L188	H38-V109 PolarHBondContact O-N 3.43Å; Y39-V109 WeakPolarHBondContact CA-O 3.27Å; Y39-V109 HydrophobicContact CD1-CB 3.83Å; Y39-V109 HydrophobicContact CD1-CG1 4.36Å; Y39-V109 HydrophobicContact CD1-CG2 4.15Å; Y39-V109 HydrophobicContact CE1-CB 4.24Å; Y39-V109 HydrophobicContact CE1-CG2 4.05Å; G40-V109 PolarHBondContact N-O 3.45Å; V109-F111 HydrophobicContact CG1-CD2 4.16Å; V109-F111 HydrophobicContact CG1-CE2 3.76Å; V109-F111 HydrophobicContact CG1-CZ 4.32Å; V109-L134 CarbonylContact C-O 3.56Å; V109-L134 WeakPolarHBondContact CA-O 3.41Å; V109-L134 HydrophobicContact CG1-CB 4.49Å; V109-L134 HydrophobicContact CG1-CD2 4.18Å; V109-L134 HydrophobicContact CG1-CG 4.31Å; V109-L134 HydrophobicContact CG2-CB 4.33Å; V109-L134 HydrophobicContact CG2-CD2 4.08Å; V109-V136 HydrophobicContact CG1-CG2 3.91Å; V109-L188 HydrophobicContact CG2-CD2 3.81Å
110	V	98.5	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.4	179.5	-179.1	0	0	0	0	108.8	G40 M103 V104 L134 L135 V136	G40-V110 CarbonylContact O-C 3.54Å; G40-V110 WeakPolarHBondContact O-CA 3.43Å; M103-V110 HydrophobicContact CE-CG1 4.49Å; M103-V110 HydrophobicContact SD-CG1 4.41Å; V104-V110 HydrophobicContact CG1-CG2 4.39Å; V104-V110 HydrophobicContact CG2-CG1 4.35Å; V104-V110 HydrophobicContact CG2-CG2 4.37Å; V110-L134 PolarHBondContact N-O 3.39Å; V110-L135 HydrophobicContact CB-CD1 4.16Å; V110-L135 HydrophobicContact CG1-CD1 4.05Å; V110-L135 CarbonylContact O-C 3.55Å; V110-L135 WeakPolarHBondContact O-CA 3.46Å; V110-V136 PolarHBondContact O-N 3.13Å
111	F	98.5	Very high	96.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	114	169.6	-73.3	-91.1	0	0	0	110	Y39 G40 F41 M42 F55 V109 C113 V136 I138 M160 I189 L192	Y39-F111 HydrophobicContact CD1-CE2 4.06Å; G40-F111 PolarHBondContact O-N 3.47Å; F41-F111 HydrophobicContact CD1-CB 3.57Å; F41-F111 HydrophobicContact CD1-CD2 4.25Å; F41-F111 HydrophobicContact CD1-CG 4.01Å; F41-F111 HydrophobicContact CE1-CB 3.74Å; F41-F111 HydrophobicContact CE1-CD1 4.22Å; F41-F111 AromaticContact CE1-CD2 3.69Å; F41-F111 HydrophobicContact CE1-CD2 3.69Å; F41-F111 HydrophobicContact CE1-CE2 4.34Å; F41-F111 AromaticContact CE1-CG 3.62Å; F41-F111 HydrophobicContact CE1-CG 3.62Å; F41-F111 HydrophobicContact CE2-CD2 4.03Å; F41-F111 HydrophobicContact CG-CB 4.13Å; F41-F111 HydrophobicContact CZ-CB 4.43Å; F41-F111 AromaticContact CZ-CD2 3.56Å; F41-F111 HydrophobicContact CZ-CD2 3.56Å; F41-F111 AromaticContact CZ-CE2 3.94Å; F41-F111 HydrophobicContact CZ-CE2 3.94Å; F41-F111 HydrophobicContact CZ-CG 4.01Å; M42-F111 PolarHBondContact N-O 3.38Å; F55-F111 HydrophobicContact CE2-CZ 4.3Å; V109-F111 HydrophobicContact CG1-CD2 4.16Å; V109-F111 HydrophobicContact CG1-CE2 3.76Å; V109-F111 HydrophobicContact CG1-CZ 4.32Å; F111-C113 PolarHBondContact O-N 3.01Å; F111-V136 CarbonylContact C-O 3.29Å; F111-V136 WeakPolarHBondContact CA-O 3.26Å; F111-V136 HydrophobicContact CD1-CB 3.69Å; F111-V136 HydrophobicContact CD1-CG1 3.65Å; F111-V136 HydrophobicContact CD1-CG2 4.38Å; F111-V136 HydrophobicContact CE1-CB 3.87Å; F111-V136 HydrophobicContact CE1-CG1 3.63Å; F111-V136 HydrophobicContact CE1-CG2 4.15Å; F111-V136 HydrophobicContact CG-CB 4.25Å; F111-V136 HydrophobicContact CZ-CG2 4.39Å; F111-I138 HydrophobicContact CD1-CD1 4.05Å; F111-M160 HydrophobicContact CE1-CE 4.41Å; F111-I189 HydrophobicContact CE1-CD1 4.17Å; F111-I189 HydrophobicContact CZ-CD1 3.78Å; F111-L192 HydrophobicContact CE2-CD2 4.08Å; F111-L192 HydrophobicContact CZ-CD2 3.75Å
112	A	98.1	Very high	96.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	92.8	174.8	0	0	0	0	0	110.9	L119 L135 V136 I138	A112-L119 HydrophobicContact CB-CD1 3.5Å; A112-L135 HydrophobicContact CB-CD1 4.03Å; A112-V136 PolarHBondContact N-O 2.6Å; A112-I138 PolarHBondContact O-N 3.07Å
113	C	95.9	Very high	96.2	Very high	18 Å²	18	37.5 Å²	37.5	12%	0.122	19%	0.192	C	C	.	.			trans	-105.6	28.6	-174.6	-62.8	0	0	0	0	113	M42 F111	M42-C113 CarbonylContact O-C 3.44Å; M42-C113 VanDerWaalsContact O-C 3.29Å; M42-C113 VanDerWaalsContact O-CA 3.29Å; M42-C113 WeakPolarHBondContact O-CA 3.36Å; M42-C113 WeakPolarHBondContact O-CB 3.42Å; M42-C113 PolarHBondContact O-N 3.17Å; F111-C113 PolarHBondContact O-N 3.01Å
114	V	95.1	Very high	96.2	Very high	27 Å²	27	44.4 Å²	44.4	16%	0.164	22%	0.222	C	C	.	.	S	Bend	trans	-89.5	168.7	178.1	-63.5	0	0	0	0	112	M42 I118 L119	M42-V114 HydrophobicContact CB-CG1 4.42Å; M42-V114 HydrophobicContact CG-CG1 3.73Å; M42-V114 PolarHBondContact O-N 3.26Å; M42-V114 HydrophobicContact SD-CG1 4.06Å; M42-V114 HydrophobicContact SD-CG2 4.29Å; V114-I118 HydrophobicContact CB-CB 4.37Å; V114-I118 HydrophobicContact CB-CG2 4.4Å; V114-I118 HydrophobicContact CG2-CB 4.36Å; V114-I118 HydrophobicContact CG2-CG2 4.46Å; V114-L119 HydrophobicContact CG2-CB 3.96Å; V114-L119 HydrophobicContact CG2-CD1 3.84Å
115	K	92.4	Very high	96.1	Very high	143 Å²	143	48.7 Å²	48.7	62%	0.622	25%	0.251	S	S	*	.			trans	-66.1	148.6	175.2	-62.7	-64.6	-176.1	176.1	0	110.7	H117 I118 L119	K115-H117 PolarHBondContact O-N 2.93Å; K115-I118 HydrophobicContact CB-CD1 4.08Å; K115-I118 HydrophobicContact CB-CG1 4.28Å; K115-I118 WeakPolarHBondContact O-CB 3.47Å; K115-I118 PolarHBondContact O-N 2.87Å; K115-L119 PolarHBondContact O-N 3.13Å
116	P	91.6	Very high	96.1	Very high	34 Å²	34	43.9 Å²	43.9	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-52.1	-45.7	-174.7	-30.6	36.9	0	0	0	115	I118 L119 A139 A140 I142	P116-I118 PolarHBondContact O-N 3.21Å; P116-I118 VanDerWaalsContact O-N 3.11Å; P116-L119 PolarHBondContact O-N 3.3Å; P116-A139 HydrophobicContact CG-CB 4.42Å; P116-A140 WeakPolarHBondContact CB-O 3.37Å; P116-A140 HydrophobicContact CG-CB 4.37Å; P116-A140 WeakPolarHBondContact CG-O 3.36Å; P116-I142 HydrophobicContact CB-CD1 4.06Å; P116-I142 HydrophobicContact CB-CG1 4.04Å
117	H	91.1	Very high	96.1	Very high	145 Å²	145	42.7 Å²	42.7	67%	0.671	23%	0.229	S	C	*	.	H	α-helix	trans	-67.5	-10.5	-179.9	65.2	-88.6	0	0	0	114.6	K115	K115-H117 PolarHBondContact O-N 2.93Å
118	I	93.6	Very high	96	Very high	70 Å²	70	47.2 Å²	47.2	36%	0.359	25%	0.253	S	S	.	.	H	α-helix	trans	-99.5	-25.9	178.7	-53.8	178.8	0	0	0	110.7	V114 K115 P116 P121 A122	V114-I118 HydrophobicContact CB-CB 4.37Å; V114-I118 HydrophobicContact CB-CG2 4.4Å; V114-I118 HydrophobicContact CG2-CB 4.36Å; V114-I118 HydrophobicContact CG2-CG2 4.46Å; K115-I118 HydrophobicContact CB-CD1 4.08Å; K115-I118 HydrophobicContact CB-CG1 4.28Å; K115-I118 WeakPolarHBondContact O-CB 3.47Å; K115-I118 PolarHBondContact O-N 2.87Å; P116-I118 PolarHBondContact O-N 3.21Å; P116-I118 VanDerWaalsContact O-N 3.11Å; I118-P121 WeakPolarHBondContact O-CD 3.4Å; I118-A122 HydrophobicContact CG2-CB 4.44Å; I118-A122 VanDerWaalsContact O-CB 3.27Å; I118-A122 WeakPolarHBondContact O-CB 3.17Å; I118-A122 PolarHBondContact O-N 3.02Å
119	L	96.2	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-58	-167.2	179.7	63.6	0	0	0	112.7	A112 V114 K115 P116 A122 L123 S137 A139 I142 I147	A112-L119 HydrophobicContact CB-CD1 3.5Å; V114-L119 HydrophobicContact CG2-CB 3.96Å; V114-L119 HydrophobicContact CG2-CD1 3.84Å; K115-L119 PolarHBondContact O-N 3.13Å; P116-L119 PolarHBondContact O-N 3.3Å; L119-A122 PolarHBondContact O-N 3.03Å; L119-L123 HydrophobicContact CD1-CD1 3.73Å; L119-L123 HydrophobicContact CD1-CD2 4.33Å; L119-L123 HydrophobicContact CD1-CG 3.82Å; L119-L123 HydrophobicContact CD2-CD1 4.43Å; L119-L123 HydrophobicContact CG-CD1 3.84Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CG 3.24Å; L119-L123 PolarHBondContact O-N 3.02Å; L119-S137 VanDerWaalsContact CD2-OG 3.28Å; L119-S137 WeakPolarHBondContact CD2-OG 3.09Å; L119-A139 HydrophobicContact CB-CB 4.32Å; L119-A139 HydrophobicContact CD2-CB 3.51Å; L119-A139 HydrophobicContact CG-CB 4.45Å; L119-I142 HydrophobicContact CD2-CB 4.06Å; L119-I142 HydrophobicContact CD2-CG1 4.12Å; L119-I142 HydrophobicContact CD2-CG2 3.99Å; L119-I147 HydrophobicContact CD2-CD1 4.29Å; L119-I147 HydrophobicContact CD2-CG1 4.3Å
120	L	96.8	Very high	96	Very high	26 Å²	26	48 Å²	48	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-45	-174.4	-57.6	178.7	0	0	0	112.6	A122 L123 K124 I142 Q146 I147 V150	L120-A122 PolarHBondContact O-N 3.21Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-K124 WeakPolarHBondContact O-CB 3.35Å; L120-K124 PolarHBondContact O-N 2.84Å; L120-I142 HydrophobicContact CD1-CG2 4.47Å; L120-I142 HydrophobicContact CD2-CG2 3.72Å; L120-I142 HydrophobicContact CG-CG2 4.16Å; L120-Q146 HydrophobicContact CD1-CB 4.21Å; L120-Q146 HydrophobicContact CD2-CB 4.31Å; L120-I147 HydrophobicContact CD2-CG1 4.27Å; L120-V150 HydrophobicContact CB-CG2 4.42Å; L120-V150 HydrophobicContact CD2-CG2 3.85Å
121	P	96.2	Very high	95.9	Very high	79 Å²	79	51.6 Å²	51.6	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-57.7	-43.7	172.2	-26.4	35.3	0	0	0	113.5	I118 K124 C125	I118-P121 WeakPolarHBondContact O-CD 3.4Å; P121-K124 PolarHBondContact O-N 3.31Å; P121-C125 PolarHBondContact O-N 3.24Å; P121-C125 VanDerWaalsContact O-N 3.16Å; P121-C125 PolarHBondContact O-SG 3.43Å; P121-C125 VanDerWaalsContact O-SG 3.38Å
122	A	96.6	Very high	95.7	Very high	15 Å²	15	56.9 Å²	56.9	12%	0.124	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-44.2	179.9	0	0	0	0	0	112.1	M42 I118 L119 L120 K124 C125 L126	M42-A122 HydrophobicContact SD-CB 3.91Å; I118-A122 HydrophobicContact CG2-CB 4.44Å; I118-A122 VanDerWaalsContact O-CB 3.27Å; I118-A122 WeakPolarHBondContact O-CB 3.17Å; I118-A122 PolarHBondContact O-N 3.02Å; L119-A122 PolarHBondContact O-N 3.03Å; L120-A122 PolarHBondContact O-N 3.21Å; A122-K124 VanDerWaalsContact C-N 3.33Å; A122-K124 PolarHBondContact O-N 3.06Å; A122-C125 PolarHBondContact O-N 3.39Å; A122-L126 WeakPolarHBondContact O-CD1 3.45Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 2.87Å
123	L	97.9	Very high	95.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-38.2	176.8	-69.3	-179.3	0	0	0	112.1	M42 L119 L120 C125 L126 S127 L130 L135 I147 V150 V151	M42-L123 HydrophobicContact CE-CD2 4.14Å; L119-L123 HydrophobicContact CD1-CD1 3.73Å; L119-L123 HydrophobicContact CD1-CD2 4.33Å; L119-L123 HydrophobicContact CD1-CG 3.82Å; L119-L123 HydrophobicContact CD2-CD1 4.43Å; L119-L123 HydrophobicContact CG-CD1 3.84Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CG 3.24Å; L119-L123 PolarHBondContact O-N 3.02Å; L120-L123 PolarHBondContact O-N 2.89Å; L123-C125 VanDerWaalsContact C-N 3.34Å; L123-C125 PolarHBondContact O-N 2.88Å; L123-L126 CarbonylContact O-C 3.58Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L123-S127 PolarHBondContact O-N 3.26Å; L123-L130 HydrophobicContact CD2-CD1 3.93Å; L123-L135 HydrophobicContact CD1-CD2 3.91Å; L123-L135 HydrophobicContact CD2-CD1 3.99Å; L123-L135 HydrophobicContact CD2-CD2 3.85Å; L123-I147 HydrophobicContact CD1-CB 4.5Å; L123-I147 HydrophobicContact CD1-CG1 4.43Å; L123-I147 HydrophobicContact CD1-CG2 3.59Å; L123-V150 HydrophobicContact CB-CG2 3.95Å; L123-V150 HydrophobicContact CD1-CG2 4.46Å; L123-V151 HydrophobicContact CB-CG1 3.9Å; L123-V151 HydrophobicContact CD1-CG1 4.19Å; L123-V151 HydrophobicContact CG-CG1 4.44Å
124	K	97.2	Very high	95.8	Very high	145 Å²	145	58.2 Å²	58.2	63%	0.63	30%	0.303	S	S	*	.	H	α-helix	trans	-60.3	-43.6	175.8	-171.2	174.9	-178.6	176.5	0	111.8	L120 P121 A122 L126 S127 V150	L120-K124 WeakPolarHBondContact O-CB 3.35Å; L120-K124 PolarHBondContact O-N 2.84Å; P121-K124 PolarHBondContact O-N 3.31Å; A122-K124 VanDerWaalsContact C-N 3.33Å; A122-K124 PolarHBondContact O-N 3.06Å; K124-L126 PolarHBondContact O-N 3.41Å; K124-S127 WeakPolarHBondContact O-CB 3.33Å; K124-S127 PolarHBondContact O-N 3.2Å; K124-S127 PolarHBondContact O-OG 2.81Å; K124-V150 HydrophobicContact CB-CB 4.28Å
125	C	96.5	Very high	96	Very high	90 Å²	90	56.9 Å²	56.9	61%	0.608	30%	0.295	S	S	*	.	H	α-helix	trans	-64.2	-25.7	175.6	-66.5	0	0	0	0	113.4	P121 A122 L123	P121-C125 PolarHBondContact O-N 3.24Å; P121-C125 VanDerWaalsContact O-N 3.16Å; P121-C125 PolarHBondContact O-SG 3.43Å; P121-C125 VanDerWaalsContact O-SG 3.38Å; A122-C125 PolarHBondContact O-N 3.39Å; L123-C125 VanDerWaalsContact C-N 3.34Å; L123-C125 PolarHBondContact O-N 2.88Å
126	L	97.1	Very high	96.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4.8	-178.3	-64.2	162.3	0	0	0	113	M42 N100 E101 V104 A122 L123 K124 D128 R129 L130	M42-L126 HydrophobicContact CE-CD1 3.2Å; M42-L126 HydrophobicContact SD-CD1 4.44Å; N100-L126 HydrophobicContact CB-CD1 3.7Å; N100-L126 HydrophobicContact CB-CD2 3.8Å; N100-L126 HydrophobicContact CB-CG 4.3Å; E101-L126 HydrophobicContact CB-CD2 4.45Å; E101-L126 HydrophobicContact CG-CD2 3.89Å; V104-L126 HydrophobicContact CG2-CD1 4.14Å; V104-L126 HydrophobicContact CG2-CD2 4.19Å; A122-L126 WeakPolarHBondContact O-CD1 3.45Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 2.87Å; L123-L126 CarbonylContact O-C 3.58Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-L126 VanDerWaalsContact O-N 3.09Å; K124-L126 PolarHBondContact O-N 3.41Å; L126-D128 VanDerWaalsContact C-N 3.28Å; L126-D128 PolarHBondContact O-N 3.45Å; L126-R129 PolarHBondContact O-N 2.91Å; L126-L130 HydrophobicContact CB-CD1 4.13Å; L126-L130 HydrophobicContact CB-CG 4.4Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 2.68Å
127	S	96.2	Very high	96.6	Very high	44 Å²	44	48.5 Å²	48.5	31%	0.308	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-56.7	-39.4	-170	55.1	0	0	0	0	112.9	L123 K124 R129 L130 P152	L123-S127 PolarHBondContact O-N 3.26Å; K124-S127 WeakPolarHBondContact O-CB 3.33Å; K124-S127 PolarHBondContact O-N 3.2Å; K124-S127 PolarHBondContact O-OG 2.81Å; S127-R129 PolarHBondContact O-N 3.43Å; S127-L130 PolarHBondContact O-N 3.28Å; S127-P152 WeakPolarHBondContact O-CD 3.36Å; S127-P152 WeakPolarHBondContact O-CG 3.39Å
128	D	95.6	Very high	96.8	Very high	96 Å²	96	42.3 Å²	42.3	51%	0.513	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.6	-21.9	177.2	62.2	-18.3	0	0	0	114.1	L126 N131	L126-D128 VanDerWaalsContact C-N 3.28Å; L126-D128 PolarHBondContact O-N 3.45Å; D128-N131 PolarHBondContact O-ND2 3.41Å
129	R	97.2	Very high	96.8	Very high	74 Å²	74	39.1 Å²	39.1	28%	0.279	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-102	-4.9	-177.8	-66.6	166	176.1	75.7	5.9	114.3	V104 E105 L126 S127	V104-R129 HydrophobicContact CG1-CB 3.76Å; E105-R129 HydrophobicContact CG-CG 4.2Å; E105-R129 IonicContact OE1-CZ 2.95Å; E105-R129 IonicContact OE1-NE 3.99Å; E105-R129 PolarHBondContact OE1-NE 3.14Å; E105-R129 IonicContact OE1-NH2 2.69Å; L126-R129 PolarHBondContact O-N 2.91Å; S127-R129 PolarHBondContact O-N 3.43Å
130	L	97.7	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.			trans	-96.6	4.9	-174.9	-72.3	170.7	0	0	0	114.2	V104 L123 L126 S127 D132 K133 V151 T155	V104-L130 HydrophobicContact CG1-CD2 3.83Å; V104-L130 HydrophobicContact CG1-CG 4.34Å; L123-L130 HydrophobicContact CD2-CD1 3.93Å; L126-L130 HydrophobicContact CB-CD1 4.13Å; L126-L130 HydrophobicContact CB-CG 4.4Å; L126-L130 WeakPolarHBondContact O-CG 3.38Å; L126-L130 PolarHBondContact O-N 2.68Å; S127-L130 PolarHBondContact O-N 3.28Å; L130-D132 PolarHBondContact O-N 2.9Å; L130-K133 PolarHBondContact O-N 2.93Å; L130-V151 HydrophobicContact CD1-CB 4.39Å; L130-V151 HydrophobicContact CD1-CG1 3.74Å; L130-T155 HydrophobicContact CB-CG2 4.36Å; L130-T155 PolarHBondContact O-OG1 3.18Å
131	N	95.9	Very high	96	Very high	77 Å²	77	40 Å²	40	41%	0.412	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	129	175.4	-71.4	-71.9	0	0	0	111.1	D128 K133 P152 S154	D128-N131 PolarHBondContact O-ND2 3.41Å; N131-K133 PolarHBondContact O-N 3.05Å; N131-P152 WeakPolarHBondContact OD1-CB 3.43Å; N131-S154 PolarHBondContact OD1-OG 3.22Å; N131-S154 VanDerWaalsContact OD1-OG 3.12Å
132	D	95.5	Very high	95.9	Very high	110 Å²	110	36.2 Å²	36.2	59%	0.588	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-0.8	177.6	-53.7	-57.9	0	0	0	116.5	L130 S154 R156	L130-D132 PolarHBondContact O-N 2.9Å; D132-S154 WeakPolarHBondContact OD1-CB 3.4Å; D132-R156 PolarHBondContact O-NE 2.97Å; D132-R156 PolarHBondContact O-NH2 3.19Å
133	K	97.3	Very high	95.9	Very high	44 Å²	44	37 Å²	37	19%	0.191	20%	0.2	C	C	.	.			trans	-70.8	149.4	175.8	-58.1	-59.9	-167.9	167.9	0	110.9	E105 S107 L130 N131 R156	E105-K133 PolarHBondContact O-NZ 3.08Å; E105-K133 VanDerWaalsContact O-NZ 3.1Å; S107-K133 VanDerWaalsContact O-CD 3.3Å; S107-K133 WeakPolarHBondContact O-CD 3.34Å; S107-K133 VanDerWaalsContact O-CE 3.32Å; S107-K133 WeakPolarHBondContact O-CE 3.21Å; S107-K133 PolarHBondContact O-NZ 3.26Å; L130-K133 PolarHBondContact O-N 2.93Å; N131-K133 PolarHBondContact O-N 3.05Å; K133-R156 PolarHBondContact O-N 3.36Å
134	L	98.6	Very high	95.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.2	169.3	-178.2	62.9	0	0	0	109.2	D108 V109 V110 V136 R156 I158 V181 D185 L188	D108-L134 PolarHBondContact O-N 2.83Å; V109-L134 CarbonylContact C-O 3.56Å; V109-L134 WeakPolarHBondContact CA-O 3.41Å; V109-L134 HydrophobicContact CG1-CB 4.49Å; V109-L134 HydrophobicContact CG1-CD2 4.18Å; V109-L134 HydrophobicContact CG1-CG 4.31Å; V109-L134 HydrophobicContact CG2-CB 4.33Å; V109-L134 HydrophobicContact CG2-CD2 4.08Å; V110-L134 PolarHBondContact N-O 3.39Å; L134-V136 HydrophobicContact CG-CG2 4.43Å; L134-R156 CarbonylContact C-O 3.59Å; L134-R156 WeakPolarHBondContact CA-O 3.28Å; L134-R156 HydrophobicContact CD1-CB 3.97Å; L134-I158 HydrophobicContact CD1-CD1 3.94Å; L134-I158 HydrophobicContact CD1-CG1 4.01Å; L134-V181 HydrophobicContact CD1-CG2 4.49Å; L134-D185 HydrophobicContact CD1-CB 3.98Å; L134-D185 HydrophobicContact CD2-CB 4Å; L134-L188 HydrophobicContact CD2-CD2 4.36Å
135	L	98.7	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.3	177.9	178.5	65.2	0	0	0	110	V110 A112 L123 I147 V151 T155 R156 I157 I158	V110-L135 HydrophobicContact CB-CD1 4.16Å; V110-L135 HydrophobicContact CG1-CD1 4.05Å; V110-L135 CarbonylContact O-C 3.55Å; V110-L135 WeakPolarHBondContact O-CA 3.46Å; A112-L135 HydrophobicContact CB-CD1 4.03Å; L123-L135 HydrophobicContact CD1-CD2 3.91Å; L123-L135 HydrophobicContact CD2-CD1 3.99Å; L123-L135 HydrophobicContact CD2-CD2 3.85Å; L135-I147 HydrophobicContact CD2-CG2 3.69Å; L135-V151 HydrophobicContact CD2-CG1 4.34Å; L135-T155 HydrophobicContact CB-CG2 3.84Å; L135-T155 HydrophobicContact CD2-CG2 4.32Å; L135-R156 PolarHBondContact N-O 3.44Å; L135-I157 CarbonylContact O-C 3.57Å; L135-I157 WeakPolarHBondContact O-CA 3.42Å; L135-I158 PolarHBondContact O-N 3.34Å
136	V	98.7	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	100.7	176.4	-175.9	0	0	0	0	109.4	V109 V110 F111 A112 L134 I158 M160 I189	V109-V136 HydrophobicContact CG1-CG2 3.91Å; V110-V136 PolarHBondContact O-N 3.13Å; F111-V136 CarbonylContact C-O 3.29Å; F111-V136 WeakPolarHBondContact CA-O 3.26Å; F111-V136 HydrophobicContact CD1-CB 3.69Å; F111-V136 HydrophobicContact CD1-CG1 3.65Å; F111-V136 HydrophobicContact CD1-CG2 4.38Å; F111-V136 HydrophobicContact CE1-CB 3.87Å; F111-V136 HydrophobicContact CE1-CG1 3.63Å; F111-V136 HydrophobicContact CE1-CG2 4.15Å; F111-V136 HydrophobicContact CG-CB 4.25Å; F111-V136 HydrophobicContact CZ-CG2 4.39Å; A112-V136 PolarHBondContact N-O 2.6Å; L134-V136 HydrophobicContact CG-CG2 4.43Å; V136-I158 CarbonylContact C-O 3.56Å; V136-I158 VanDerWaalsContact CA-O 3.29Å; V136-I158 WeakPolarHBondContact CA-O 3.21Å; V136-I158 HydrophobicContact CG2-CB 4.36Å; V136-M160 HydrophobicContact CG1-CB 4.03Å; V136-M160 HydrophobicContact CG1-CE 3.55Å; V136-M160 HydrophobicContact CG1-SD 4.45Å; V136-I189 HydrophobicContact CG2-CD1 4.04Å
137	S	98.1	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.7	177.6	179.5	0	0	0	0	111.9	L119 A139 I158 M160	L119-S137 VanDerWaalsContact CD2-OG 3.28Å; L119-S137 WeakPolarHBondContact CD2-OG 3.09Å; S137-A139 PolarHBondContact OG-N 3.38Å; S137-I158 PolarHBondContact N-O 2.97Å; S137-M160 PolarHBondContact O-N 3.44Å
138	I	95.9	Very high	95.8	Very high	16 Å²	16	33 Å²	33	8%	0.082	17%	0.174	C	C	.	.			trans	-115.6	3.6	176.7	-57.8	-175.4	0	0	0	111.3	M47 L51 F111 A112 A140 M160 P162	M47-I138 HydrophobicContact CG-CG2 3.98Å; L51-I138 HydrophobicContact CD1-CD1 3.16Å; L51-I138 HydrophobicContact CG-CD1 4.49Å; F111-I138 HydrophobicContact CD1-CD1 4.05Å; A112-I138 PolarHBondContact O-N 3.07Å; I138-A140 PolarHBondContact O-N 3.32Å; I138-M160 WeakPolarHBondContact CA-O 3.5Å; I138-M160 HydrophobicContact CG1-CB 4.49Å; I138-P162 HydrophobicContact CD1-CG 4.35Å; I138-P162 HydrophobicContact CG2-CG 3.69Å
139	A	92.7	Very high	95.8	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	19%	0.185	C	C	.	.			trans	-69.7	123.7	-179.2	0	0	0	0	0	111.6	P116 L119 S137 I142	P116-A139 HydrophobicContact CG-CB 4.42Å; L119-A139 HydrophobicContact CB-CB 4.32Å; L119-A139 HydrophobicContact CD2-CB 3.51Å; L119-A139 HydrophobicContact CG-CB 4.45Å; S137-A139 PolarHBondContact OG-N 3.38Å; A139-I142 HydrophobicContact CB-CB 4.42Å; A139-I142 HydrophobicContact CB-CG1 3.99Å
140	A	88.2	Confident	95.8	Very high	42 Å²	42	34.2 Å²	34.2	35%	0.347	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	139	173.8	0	0	0	0	0	111.3	P116 I138 I142	P116-A140 WeakPolarHBondContact CB-O 3.37Å; P116-A140 HydrophobicContact CG-CB 4.37Å; P116-A140 WeakPolarHBondContact CG-O 3.36Å; I138-A140 PolarHBondContact O-N 3.32Å; A140-I142 PolarHBondContact O-N 3.44Å
141	G	88.8	Confident	95.8	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-10.2	174.6	0	0	0	0	0	116.6	S310	G141-S310 WeakPolarHBondContact CA-OG 3.38Å; G141-S310 WeakPolarHBondContact O-CA 3.33Å; G141-S310 VanDerWaalsContact O-CB 3.26Å; G141-S310 WeakPolarHBondContact O-CB 3.33Å; G141-S310 PolarHBondContact O-OG 3.17Å
142	I	93.8	Very high	95.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.			trans	-91.6	120.8	177.9	-49.3	-58.6	0	0	0	110	P116 L119 L120 A139 A140 Q146 I147 R159 S313	P116-I142 HydrophobicContact CB-CD1 4.06Å; P116-I142 HydrophobicContact CB-CG1 4.04Å; L119-I142 HydrophobicContact CD2-CB 4.06Å; L119-I142 HydrophobicContact CD2-CG1 4.12Å; L119-I142 HydrophobicContact CD2-CG2 3.99Å; L120-I142 HydrophobicContact CD1-CG2 4.47Å; L120-I142 HydrophobicContact CD2-CG2 3.72Å; L120-I142 HydrophobicContact CG-CG2 4.16Å; A139-I142 HydrophobicContact CB-CB 4.42Å; A139-I142 HydrophobicContact CB-CG1 3.99Å; A140-I142 PolarHBondContact O-N 3.44Å; I142-Q146 HydrophobicContact CG2-CB 4.07Å; I142-I147 HydrophobicContact CG2-CD1 4.26Å; I142-I147 HydrophobicContact CG2-CG1 3.72Å; I142-R159 WeakPolarHBondContact O-CD 3.28Å; I142-R159 PolarHBondContact O-NE 3.13Å; I142-S313 VanDerWaalsContact CD1-OG 3.24Å; I142-S313 WeakPolarHBondContact CD1-OG 3.43Å
143	T	95.4	Very high	95.9	Very high	32 Å²	32	36.3 Å²	36.3	20%	0.196	19%	0.186	C	C	.	.			trans	-79.9	159.2	-176.9	60.9	0	0	0	0	113	D145 Q146 I147 E205	T143-D145 VanDerWaalsContact C-N 3.26Å; T143-D145 PolarHBondContact O-N 2.8Å; T143-Q146 PolarHBondContact O-N 2.64Å; T143-Q146 WeakPolarHBondContact OG1-CB 3.13Å; T143-Q146 VanDerWaalsContact OG1-CG 3.29Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.22Å; T143-Q146 PolarHBondContact OG1-N 3.2Å; T143-Q146 PolarHBondContact OG1-OE1 3.3Å; T143-I147 WeakPolarHBondContact O-CG1 3.5Å; T143-I147 PolarHBondContact O-N 3Å; T143-I147 VanDerWaalsContact O-N 3.07Å; T143-E205 VanDerWaalsContact CA-OE1 3.22Å; T143-E205 WeakPolarHBondContact CA-OE1 3.29Å
144	L	97	Very high	95.9	Very high	11 Å²	11	36 Å²	36	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-54.9	-44.4	171.5	-71	169.2	0	0	0	110.8	Q146 I147 Q148 I157 R159 A176 T178 E205	L144-Q146 PolarHBondContact O-N 2.9Å; L144-I147 PolarHBondContact O-N 2.96Å; L144-Q148 VanDerWaalsContact O-CB 3.31Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 PolarHBondContact O-N 3.4Å; L144-I157 HydrophobicContact CD2-CB 4.3Å; L144-I157 HydrophobicContact CD2-CG2 3.73Å; L144-R159 HydrophobicContact CD2-CB 3.64Å; L144-R159 HydrophobicContact CG-CB 3.97Å; L144-A176 HydrophobicContact CD1-CB 4.05Å; L144-T178 HydrophobicContact CB-CG2 4.29Å; L144-T178 HydrophobicContact CD2-CG2 4.28Å; L144-E205 WeakPolarHBondContact CG-OE1 3.33Å; L144-E205 PolarHBondContact N-OE1 3.4Å
145	D	95.9	Very high	95.8	Very high	113 Å²	113	36 Å²	36	60%	0.604	19%	0.189	S	C	*	.	H	α-helix	trans	-61	-45.4	178.3	-74.1	-9.2	0	0	0	112.3	T143 I147 Q148 Q149	T143-D145 VanDerWaalsContact C-N 3.26Å; T143-D145 PolarHBondContact O-N 2.8Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-I147 PolarHBondContact O-N 3.47Å; D145-Q148 PolarHBondContact O-N 3.28Å; D145-Q149 WeakPolarHBondContact O-CG 3.39Å; D145-Q149 PolarHBondContact O-N 3.02Å; D145-Q149 VanDerWaalsContact O-N 3.15Å
146	Q	95.8	Very high	95.8	Very high	25 Å²	25	38.8 Å²	38.8	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-40.6	176.2	-78.7	164.1	-50.8	0	0	112	L120 I142 T143 L144 S310 S313	L120-Q146 HydrophobicContact CD1-CB 4.21Å; L120-Q146 HydrophobicContact CD2-CB 4.31Å; I142-Q146 HydrophobicContact CG2-CB 4.07Å; T143-Q146 PolarHBondContact O-N 2.64Å; T143-Q146 WeakPolarHBondContact OG1-CB 3.13Å; T143-Q146 VanDerWaalsContact OG1-CG 3.29Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.22Å; T143-Q146 PolarHBondContact OG1-N 3.2Å; T143-Q146 PolarHBondContact OG1-OE1 3.3Å; L144-Q146 PolarHBondContact O-N 2.9Å; Q146-S310 PolarHBondContact NE2-O 2.95Å; Q146-S313 PolarHBondContact NE2-OXT 3.02Å
147	I	97.6	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-45.5	177.1	-60.8	164.1	0	0	0	109.9	L119 L120 L123 L135 I142 T143 L144 D145 Q149 V150 V151 I157	L119-I147 HydrophobicContact CD2-CD1 4.29Å; L119-I147 HydrophobicContact CD2-CG1 4.3Å; L120-I147 HydrophobicContact CD2-CG1 4.27Å; L123-I147 HydrophobicContact CD1-CB 4.5Å; L123-I147 HydrophobicContact CD1-CG1 4.43Å; L123-I147 HydrophobicContact CD1-CG2 3.59Å; L135-I147 HydrophobicContact CD2-CG2 3.69Å; I142-I147 HydrophobicContact CG2-CD1 4.26Å; I142-I147 HydrophobicContact CG2-CG1 3.72Å; T143-I147 WeakPolarHBondContact O-CG1 3.5Å; T143-I147 PolarHBondContact O-N 3Å; T143-I147 VanDerWaalsContact O-N 3.07Å; L144-I147 PolarHBondContact O-N 2.96Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-I147 PolarHBondContact O-N 3.47Å; I147-Q149 PolarHBondContact O-N 3.43Å; I147-Q149 VanDerWaalsContact O-N 3.15Å; I147-V150 VanDerWaalsContact O-CG2 3.28Å; I147-V150 WeakPolarHBondContact O-CG2 3.29Å; I147-V150 PolarHBondContact O-N 3.12Å; I147-V151 HydrophobicContact CG2-CG1 4.36Å; I147-V151 HydrophobicContact CG2-CG2 4.4Å; I147-V151 WeakPolarHBondContact O-CG2 3.33Å; I147-V151 PolarHBondContact O-N 3.32Å; I147-I157 HydrophobicContact CB-CG2 4.4Å; I147-I157 HydrophobicContact CD1-CG2 4.28Å; I147-I157 HydrophobicContact CG2-CD1 3.99Å; I147-I157 HydrophobicContact CG2-CG1 4.4Å; I147-I157 HydrophobicContact CG2-CG2 3.97Å
148	Q	97.1	Very high	95.8	Very high	48 Å²	48	38.8 Å²	38.8	22%	0.224	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-26.9	-178.3	-172.8	61.9	84.8	0	0	112.9	L144 D145 V150 P152 I157	L144-Q148 VanDerWaalsContact O-CB 3.31Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 PolarHBondContact O-N 3.4Å; D145-Q148 PolarHBondContact O-N 3.28Å; Q148-V150 VanDerWaalsContact C-N 3.32Å; Q148-P152 PolarHBondContact NE2-O 2.85Å; Q148-I157 HydrophobicContact CB-CD1 4.02Å
149	Q	96.8	Very high	95.9	Very high	160 Å²	160	38.3 Å²	38.3	75%	0.748	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.4	176.2	-73.4	173.8	14.9	0	0	114.3	D145 I147	D145-Q149 WeakPolarHBondContact O-CG 3.39Å; D145-Q149 PolarHBondContact O-N 3.02Å; D145-Q149 VanDerWaalsContact O-N 3.15Å; I147-Q149 PolarHBondContact O-N 3.43Å; I147-Q149 VanDerWaalsContact O-N 3.15Å
150	V	97.2	Very high	96.2	Very high	35 Å²	35	38.2 Å²	38.2	21%	0.212	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-0.2	-174.5	-59.7	0	0	0	0	114	L120 L123 K124 I147 Q148	L120-V150 HydrophobicContact CB-CG2 4.42Å; L120-V150 HydrophobicContact CD2-CG2 3.85Å; L123-V150 HydrophobicContact CB-CG2 3.95Å; L123-V150 HydrophobicContact CD1-CG2 4.46Å; K124-V150 HydrophobicContact CB-CB 4.28Å; I147-V150 VanDerWaalsContact O-CG2 3.28Å; I147-V150 WeakPolarHBondContact O-CG2 3.29Å; I147-V150 PolarHBondContact O-N 3.12Å; Q148-V150 VanDerWaalsContact C-N 3.32Å
151	V	97.8	Very high	96.5	Very high	12 Å²	12	37 Å²	37	7%	0.073	18%	0.184	C	C	.	.	S	Bend	trans	-123.8	159.8	176.9	-55	0	0	0	0	110.7	L123 L130 L135 I147 T155 I157	L123-V151 HydrophobicContact CB-CG1 3.9Å; L123-V151 HydrophobicContact CD1-CG1 4.19Å; L123-V151 HydrophobicContact CG-CG1 4.44Å; L130-V151 HydrophobicContact CD1-CB 4.39Å; L130-V151 HydrophobicContact CD1-CG1 3.74Å; L135-V151 HydrophobicContact CD2-CG1 4.34Å; I147-V151 HydrophobicContact CG2-CG1 4.36Å; I147-V151 HydrophobicContact CG2-CG2 4.4Å; I147-V151 WeakPolarHBondContact O-CG2 3.33Å; I147-V151 PolarHBondContact O-N 3.32Å; V151-T155 HydrophobicContact CB-CG2 4.39Å; V151-T155 HydrophobicContact CG2-CG2 4.04Å; V151-I157 HydrophobicContact CG2-CD1 3.72Å; V151-I157 HydrophobicContact CG2-CG1 4.38Å
152	P	97.1	Very high	96.8	Very high	26 Å²	26	37.5 Å²	37.5	17%	0.169	19%	0.186	C	C	.	.			trans	-53.7	148.7	173.9	-26.9	34.8	0	0	0	113.2	S127 N131 Q148 S154 T155	S127-P152 WeakPolarHBondContact O-CD 3.36Å; S127-P152 WeakPolarHBondContact O-CG 3.39Å; N131-P152 WeakPolarHBondContact OD1-CB 3.43Å; Q148-P152 PolarHBondContact NE2-O 2.85Å; P152-S154 PolarHBondContact O-N 2.94Å; P152-T155 WeakPolarHBondContact CD-OG1 3.39Å; P152-T155 VanDerWaalsContact O-CB 3.3Å; P152-T155 WeakPolarHBondContact O-CB 3.35Å; P152-T155 PolarHBondContact O-N 3.11Å; P152-T155 PolarHBondContact O-OG1 3.3Å
153	K	95.5	Very high	96.9	Very high	193 Å²	193	38 Å²	38	84%	0.839	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.7	174.8	-69.8	-173.5	177.4	-178.2	0	113.4	T155	K153-T155 VanDerWaalsContact C-N 3.3Å
154	S	96.1	Very high	96.6	Very high	38 Å²	38	39.1 Å²	39.1	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.5	175.4	53.6	0	0	0	0	113.3	N131 D132 P152 R156	N131-S154 PolarHBondContact OD1-OG 3.22Å; N131-S154 VanDerWaalsContact OD1-OG 3.12Å; D132-S154 WeakPolarHBondContact OD1-CB 3.4Å; P152-S154 PolarHBondContact O-N 2.94Å; S154-R156 PolarHBondContact O-N 3.02Å
155	T	98.1	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.			trans	-65.6	130.1	175.8	-53.4	0	0	0	0	109.7	L130 L135 V151 P152 K153 I157 S180	L130-T155 HydrophobicContact CB-CG2 4.36Å; L130-T155 PolarHBondContact O-OG1 3.18Å; L135-T155 HydrophobicContact CB-CG2 3.84Å; L135-T155 HydrophobicContact CD2-CG2 4.32Å; V151-T155 HydrophobicContact CB-CG2 4.39Å; V151-T155 HydrophobicContact CG2-CG2 4.04Å; P152-T155 WeakPolarHBondContact CD-OG1 3.39Å; P152-T155 VanDerWaalsContact O-CB 3.3Å; P152-T155 WeakPolarHBondContact O-CB 3.35Å; P152-T155 PolarHBondContact O-N 3.11Å; P152-T155 PolarHBondContact O-OG1 3.3Å; K153-T155 VanDerWaalsContact C-N 3.3Å; T155-I157 HydrophobicContact CG2-CG1 4Å; T155-S180 PolarHBondContact O-OG 3.05Å; T155-S180 VanDerWaalsContact O-OG 3.06Å
156	R	98.4	Very high	96.1	Very high	59 Å²	59	34.7 Å²	34.7	22%	0.223	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	113.2	-179.1	-61.2	-180	-68.9	155.6	3.7	107.2	D132 K133 L134 L135 S154 S180 V181 D185	D132-R156 PolarHBondContact O-NE 2.97Å; D132-R156 PolarHBondContact O-NH2 3.19Å; K133-R156 PolarHBondContact O-N 3.36Å; L134-R156 CarbonylContact C-O 3.59Å; L134-R156 WeakPolarHBondContact CA-O 3.28Å; L134-R156 HydrophobicContact CD1-CB 3.97Å; L135-R156 PolarHBondContact N-O 3.44Å; S154-R156 PolarHBondContact O-N 3.02Å; R156-S180 WeakPolarHBondContact CD-O 3.44Å; R156-S180 WeakPolarHBondContact CG-O 3.21Å; R156-V181 HydrophobicContact CB-CG2 4.04Å; R156-D185 VanDerWaalsContact CD-OD2 3.28Å; R156-D185 WeakPolarHBondContact CD-OD2 3.35Å; R156-D185 IonicContact CZ-OD1 2.79Å; R156-D185 VanDerWaalsContact CZ-OD1 3.28Å; R156-D185 IonicContact CZ-OD2 3.65Å; R156-D185 IonicContact NE-OD2 3.62Å; R156-D185 IonicContact NH1-OD1 2.6Å; R156-D185 PolarHBondContact NH1-OD1 2.89Å; R156-D185 IonicContact NH1-OD2 2.62Å; R156-D185 PolarHBondContact NH1-OD2 3.45Å; R156-D185 IonicContact NH2-OD1 2.81Å
157	I	98.6	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.2	-165.1	-51.8	160.7	0	0	0	110.1	L135 L144 I147 Q148 V151 T155 H177 T178 V181	L135-I157 CarbonylContact O-C 3.57Å; L135-I157 WeakPolarHBondContact O-CA 3.42Å; L144-I157 HydrophobicContact CD2-CB 4.3Å; L144-I157 HydrophobicContact CD2-CG2 3.73Å; I147-I157 HydrophobicContact CB-CG2 4.4Å; I147-I157 HydrophobicContact CD1-CG2 4.28Å; I147-I157 HydrophobicContact CG2-CD1 3.99Å; I147-I157 HydrophobicContact CG2-CG1 4.4Å; I147-I157 HydrophobicContact CG2-CG2 3.97Å; Q148-I157 HydrophobicContact CB-CD1 4.02Å; V151-I157 HydrophobicContact CG2-CD1 3.72Å; V151-I157 HydrophobicContact CG2-CG1 4.38Å; T155-I157 HydrophobicContact CG2-CG1 4Å; I157-H177 CarbonylContact O-C 3.56Å; I157-H177 VanDerWaalsContact O-CA 3.23Å; I157-H177 WeakPolarHBondContact O-CA 3.15Å; I157-H177 WeakPolarHBondContact O-CB 3.42Å; I157-T178 HydrophobicContact CB-CG2 3.99Å; I157-T178 HydrophobicContact CD1-CG2 4.09Å; I157-T178 HydrophobicContact CG1-CG2 4.49Å; I157-T178 PolarHBondContact N-OG1 3.29Å; I157-T178 PolarHBondContact O-N 3.22Å; I157-T178 PolarHBondContact O-OG1 3.02Å; I157-V181 WeakPolarHBondContact O-CG2 3.4Å
158	I	98.6	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.5	168.2	-59.8	-175.7	0	0	0	107.9	L134 L135 V136 S137 Y175 A176 H177 V181 I186 I189	L134-I158 HydrophobicContact CD1-CD1 3.94Å; L134-I158 HydrophobicContact CD1-CG1 4.01Å; L135-I158 PolarHBondContact O-N 3.34Å; V136-I158 CarbonylContact C-O 3.56Å; V136-I158 VanDerWaalsContact CA-O 3.29Å; V136-I158 WeakPolarHBondContact CA-O 3.21Å; V136-I158 HydrophobicContact CG2-CB 4.36Å; S137-I158 PolarHBondContact N-O 2.97Å; I158-Y175 HydrophobicContact CG2-CD2 4.21Å; I158-A176 CarbonylContact C-O 3.57Å; I158-A176 WeakPolarHBondContact CA-O 3.01Å; I158-H177 HydrophobicContact CG1-CB 4.03Å; I158-V181 HydrophobicContact CD1-CG1 4.07Å; I158-V181 HydrophobicContact CG1-CG1 4.09Å; I158-V181 HydrophobicContact CG1-CG2 3.97Å; I158-I186 HydrophobicContact CD1-CD1 4.27Å; I158-I189 HydrophobicContact CD1-CB 4.18Å; I158-I189 HydrophobicContact CD1-CG1 4.3Å; I158-I189 HydrophobicContact CD1-CG2 3.8Å
159	R	97.9	Very high	94.8	Very high	6 Å²	6	41.1 Å²	41.1	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.1	165.7	-171.1	-174.8	174.1	-175.7	-3.2	107.4	I142 L144 Y175 A176 E205 F208	I142-R159 WeakPolarHBondContact O-CD 3.28Å; I142-R159 PolarHBondContact O-NE 3.13Å; L144-R159 HydrophobicContact CD2-CB 3.64Å; L144-R159 HydrophobicContact CG-CB 3.97Å; R159-Y175 CarbonylContact O-C 3.59Å; R159-Y175 WeakPolarHBondContact O-CA 3.3Å; R159-A176 PolarHBondContact N-O 2.85Å; R159-A176 PolarHBondContact O-N 3Å; R159-E205 WeakPolarHBondContact CD-OE1 3.44Å; R159-E205 IonicContact CZ-OE1 2.71Å; R159-E205 IonicContact NE-OE1 3.28Å; R159-E205 IonicContact NH1-OE1 3.56Å; R159-E205 PolarHBondContact NH1-OE1 3.33Å; R159-F208 HydrophobicContact CB-CE1 4.11Å; R159-F208 HydrophobicContact CB-CZ 4.45Å; R159-F208 HydrophobicContact CG-CD1 4.16Å; R159-F208 HydrophobicContact CG-CE1 3.64Å; R159-F208 HydrophobicContact CG-CZ 4.43Å; R159-F208 WeakPolarHBondContact O-CZ 3.38Å
160	M	97.6	Very high	94.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.2	-178.5	-174.9	-170.6	-55.1	0	0	109.8	F111 V136 S137 I138 A173 V174 I189 C193 F197 F200	F111-M160 HydrophobicContact CE1-CE 4.41Å; V136-M160 HydrophobicContact CG1-CB 4.03Å; V136-M160 HydrophobicContact CG1-CE 3.55Å; V136-M160 HydrophobicContact CG1-SD 4.45Å; S137-M160 PolarHBondContact O-N 3.44Å; I138-M160 WeakPolarHBondContact CA-O 3.5Å; I138-M160 HydrophobicContact CG1-CB 4.49Å; M160-A173 HydrophobicContact CG-CB 4.29Å; M160-V174 CarbonylContact C-O 3.37Å; M160-V174 WeakPolarHBondContact CA-O 3.49Å; M160-I189 HydrophobicContact CE-CD1 3.94Å; M160-I189 HydrophobicContact CE-CG1 3.72Å; M160-C193 WeakPolarHBondContact CE-SG 3.13Å; M160-F197 HydrophobicContact SD-CE2 4.39Å; M160-F200 HydrophobicContact CE-CE2 4.02Å; M160-F200 HydrophobicContact CE-CZ 4.07Å; M160-F200 HydrophobicContact CG-CE2 4.17Å; M160-F200 HydrophobicContact SD-CE2 4.15Å
161	M	95.4	Very high	94.3	Very high	18 Å²	18	33.9 Å²	33.9	9%	0.089	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	92	177.9	-149.8	50.6	58	0	0	110.5	A173 V174 F208 V212	M161-A173 WeakPolarHBondContact O-CA 3.48Å; M161-V174 HydrophobicContact CB-CG2 3.96Å; M161-V174 PolarHBondContact N-O 2.94Å; M161-V174 PolarHBondContact O-N 3.07Å; M161-F208 HydrophobicContact CB-CD1 4.22Å; M161-F208 HydrophobicContact CB-CE1 4.25Å; M161-V212 HydrophobicContact CB-CG2 4.48Å; M161-V212 HydrophobicContact CG-CG2 3.37Å; M161-V212 HydrophobicContact SD-CG2 4.34Å
162	P	95.6	Very high	94.1	Very high	11 Å²	11	35.1 Å²	35.1	7%	0.071	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	169.9	178.9	37.2	-35.2	0	0	0	112.5	M47 I138 T172 A173 F197	M47-P162 HydrophobicContact CG-CG 4.16Å; M47-P162 HydrophobicContact SD-CB 4.48Å; M47-P162 HydrophobicContact SD-CG 3.88Å; I138-P162 HydrophobicContact CD1-CG 4.35Å; I138-P162 HydrophobicContact CG2-CG 3.69Å; P162-T172 CarbonylContact C-O 3.6Å; P162-T172 WeakPolarHBondContact CA-O 3.42Å; P162-A173 HydrophobicContact CB-CB 4.05Å; P162-F197 HydrophobicContact CB-CE1 3.5Å; P162-F197 HydrophobicContact CB-CE2 4.32Å; P162-F197 HydrophobicContact CB-CZ 3.32Å; P162-F197 HydrophobicContact CG-CZ 4.46Å
163	N	94.3	Very high	94.1	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.059	19%	0.186	C	C	.	.			trans	-119.7	164.8	166.3	72.3	4.3	0	0	0	112.7	P165 C166 G171 T172 S215	N163-P165 VanDerWaalsContact C-CD 3.46Å; N163-P165 WeakPolarHBondContact OD1-CD 3.4Å; N163-C166 WeakPolarHBondContact O-CB 3Å; N163-C166 PolarHBondContact O-N 3.12Å; N163-C166 PolarHBondContact O-SG 3.31Å; N163-C166 VanDerWaalsContact O-SG 3.4Å; N163-G171 VanDerWaalsContact OD1-CA 3.28Å; N163-G171 WeakPolarHBondContact OD1-CA 3.39Å; N163-T172 PolarHBondContact N-O 3.18Å; N163-T172 PolarHBondContact ND2-OG1 2.78Å; N163-T172 PolarHBondContact OD1-N 3.49Å; N163-T172 PolarHBondContact OD1-O 3.29Å; N163-S215 WeakPolarHBondContact CB-O 3.36Å; N163-S215 PolarHBondContact ND2-O 3.38Å
164	T	89.2	Confident	94.1	Very high	56 Å²	56	25.5 Å²	25.5	34%	0.344	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-67.1	-25.1	-172	53	0	0	0	0	116.4	M47 C166 L167	M47-T164 HydrophobicContact CE-CG2 3.58Å; T164-C166 PolarHBondContact O-N 2.66Å; T164-L167 WeakPolarHBondContact O-CB 3.35Å; T164-L167 WeakPolarHBondContact O-CG 3.42Å; T164-L167 PolarHBondContact O-N 2.72Å; T164-L167 VanDerWaalsContact O-N 3.08Å
165	P	91.9	Very high	94.2	Very high	30 Å²	30	24.8 Å²	24.8	20%	0.195	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-57.5	-8.7	172	-27.8	34.8	0	0	0	115.7	N163 L167 V168 G169 V170 G171 P219	N163-P165 VanDerWaalsContact C-CD 3.46Å; N163-P165 WeakPolarHBondContact OD1-CD 3.4Å; P165-L167 PolarHBondContact O-N 2.77Å; P165-L167 VanDerWaalsContact O-N 3.17Å; P165-V168 WeakPolarHBondContact O-CG2 3.27Å; P165-V168 PolarHBondContact O-N 3.06Å; P165-V168 VanDerWaalsContact O-N 3.08Å; P165-G169 PolarHBondContact O-N 3.09Å; P165-V170 PolarHBondContact O-N 2.85Å; P165-G171 PolarHBondContact O-N 3.27Å; P165-P219 HydrophobicContact CG-CG 4.2Å
166	C	91	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-57	-25.5	168.8	76.6	0	0	0	0	113.3	N163 T164 V168 G169 I196 F197	N163-C166 WeakPolarHBondContact O-CB 3Å; N163-C166 PolarHBondContact O-N 3.12Å; N163-C166 PolarHBondContact O-SG 3.31Å; N163-C166 VanDerWaalsContact O-SG 3.4Å; T164-C166 PolarHBondContact O-N 2.66Å; C166-V168 PolarHBondContact O-N 3.1Å; C166-V168 VanDerWaalsContact O-N 3.1Å; C166-G169 PolarHBondContact O-N 3.08Å; C166-I196 HydrophobicContact CB-CB 4.27Å; C166-I196 HydrophobicContact CB-CD1 4.04Å; C166-I196 HydrophobicContact CB-CG1 4.31Å; C166-F197 HydrophobicContact CB-CD1 4.02Å; C166-F197 HydrophobicContact CB-CE1 3.32Å; C166-F197 HydrophobicContact CB-CZ 3.72Å
167	L	88.1	Confident	94.2	Very high	81 Å²	81	26.2 Å²	26.2	42%	0.424	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-54	-27.8	172.8	-81.4	167.3	0	0	0	114.2	A50 K53 T164 P165	A50-L167 VanDerWaalsContact CA-CD2 3.45Å; A50-L167 HydrophobicContact CB-CD1 4.24Å; A50-L167 HydrophobicContact CB-CD2 3.62Å; A50-L167 HydrophobicContact CB-CG 3.57Å; K53-L167 HydrophobicContact CD-CD2 4.17Å; T164-L167 WeakPolarHBondContact O-CB 3.35Å; T164-L167 WeakPolarHBondContact O-CG 3.42Å; T164-L167 PolarHBondContact O-N 2.72Å; T164-L167 VanDerWaalsContact O-N 3.08Å; P165-L167 PolarHBondContact O-N 2.77Å; P165-L167 VanDerWaalsContact O-N 3.17Å
168	V	87.1	Confident	94.2	Very high	102 Å²	102	27.1 Å²	27.1	62%	0.618	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-117.4	16.1	-178.9	-68.8	0	0	0	0	111.8	P165 C166 V170	P165-V168 WeakPolarHBondContact O-CG2 3.27Å; P165-V168 PolarHBondContact O-N 3.06Å; P165-V168 VanDerWaalsContact O-N 3.08Å; C166-V168 PolarHBondContact O-N 3.1Å; C166-V168 VanDerWaalsContact O-N 3.1Å; V168-V170 VanDerWaalsContact C-N 3.3Å; V168-V170 HydrophobicContact CG2-CG2 3.67Å; V168-V170 PolarHBondContact O-N 3.42Å
169	G	88.3	Confident	94	Very high	25 Å²	25	33.4 Å²	33.4	26%	0.258	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	14.9	174.2	0	0	0	0	0	115.2	P165 C166 I196	P165-G169 PolarHBondContact O-N 3.09Å; C166-G169 PolarHBondContact O-N 3.08Å; G169-I196 CarbonylContact C-O 3.05Å
170	V	90.9	Very high	93.9	Very high	42 Å²	42	34.7 Å²	34.7	26%	0.255	21%	0.213	S	C	.	.			trans	-128.5	37	180	-65.7	0	0	0	0	111.2	I19 P165 V168	I19-V170 HydrophobicContact CD1-CB 4.37Å; I19-V170 HydrophobicContact CD1-CG1 3.58Å; P165-V170 PolarHBondContact O-N 2.85Å; V168-V170 VanDerWaalsContact C-N 3.3Å; V168-V170 HydrophobicContact CG2-CG2 3.67Å; V168-V170 PolarHBondContact O-N 3.42Å
171	G	92.5	Very high	93.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	22%	0.217	C	C	.	.			trans	-72.7	171.4	174	0	0	0	0	0	112.5	N163 P165 I196 F197 P198	N163-G171 VanDerWaalsContact OD1-CA 3.28Å; N163-G171 WeakPolarHBondContact OD1-CA 3.39Å; P165-G171 PolarHBondContact O-N 3.27Å; G171-I196 WeakPolarHBondContact CA-O 3.29Å; G171-I196 PolarHBondContact N-O 2.9Å; G171-F197 WeakPolarHBondContact O-CA 3.5Å; G171-P198 WeakPolarHBondContact O-CD 3.28Å
172	T	94.3	Very high	94	Very high	38 Å²	38	36.8 Å²	36.8	23%	0.233	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.9	162	61.6	0	0	0	0	108.5	P162 N163 V199 S215	P162-T172 CarbonylContact C-O 3.6Å; P162-T172 WeakPolarHBondContact CA-O 3.42Å; N163-T172 PolarHBondContact N-O 3.18Å; N163-T172 PolarHBondContact ND2-OG1 2.78Å; N163-T172 PolarHBondContact OD1-N 3.49Å; N163-T172 PolarHBondContact OD1-O 3.29Å; T172-V199 WeakPolarHBondContact CA-O 3.45Å; T172-V199 HydrophobicContact CG2-CB 3.97Å; T172-V199 HydrophobicContact CG2-CG2 4.39Å; T172-S215 WeakPolarHBondContact OG1-CB 3.49Å
173	A	96.1	Very high	93.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	147.7	173.4	0	0	0	0	0	109.9	M160 M161 P162 F197 V199 F200 E201	M160-A173 HydrophobicContact CG-CB 4.29Å; M161-A173 WeakPolarHBondContact O-CA 3.48Å; P162-A173 HydrophobicContact CB-CB 4.05Å; A173-F197 HydrophobicContact CB-CB 4.36Å; A173-F197 HydrophobicContact CB-CD1 3.7Å; A173-F197 HydrophobicContact CB-CD2 3.91Å; A173-F197 HydrophobicContact CB-CE1 3.85Å; A173-F197 HydrophobicContact CB-CE2 4.08Å; A173-F197 HydrophobicContact CB-CG 3.73Å; A173-F197 HydrophobicContact CB-CZ 4.07Å; A173-V199 PolarHBondContact N-O 3.41Å; A173-F200 HydrophobicContact CB-CD2 3.74Å; A173-F200 HydrophobicContact CB-CE2 4.15Å; A173-F200 VanDerWaalsContact O-CA 3.3Å; A173-F200 WeakPolarHBondContact O-CA 3.2Å; A173-E201 PolarHBondContact O-N 3.32Å
174	V	96.9	Very high	94	Very high	17 Å²	17	49 Å²	49	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.3	168.4	-62.7	0	0	0	0	109.2	M160 M161 E201 I203 F208 A211	M160-V174 CarbonylContact C-O 3.37Å; M160-V174 WeakPolarHBondContact CA-O 3.49Å; M161-V174 HydrophobicContact CB-CG2 3.96Å; M161-V174 PolarHBondContact N-O 2.94Å; M161-V174 PolarHBondContact O-N 3.07Å; V174-E201 CarbonylContact C-O 3.54Å; V174-E201 VanDerWaalsContact CA-O 3.26Å; V174-E201 WeakPolarHBondContact CA-O 3.2Å; V174-I203 HydrophobicContact CB-CD1 3.75Å; V174-I203 HydrophobicContact CB-CG1 4.01Å; V174-I203 HydrophobicContact CG1-CD1 3.97Å; V174-I203 HydrophobicContact CG1-CG2 4.4Å; V174-I203 HydrophobicContact CG2-CD1 3.79Å; V174-I203 HydrophobicContact CG2-CG1 4.37Å; V174-F208 HydrophobicContact CG2-CE1 4.49Å; V174-F208 HydrophobicContact CG2-CE2 4.5Å; V174-F208 HydrophobicContact CG2-CZ 4.41Å; V174-A211 HydrophobicContact CG1-CB 4.09Å; V174-A211 HydrophobicContact CG2-CB 3.78Å
175	Y	98	Very high	94.3	Very high	22 Å²	22	46.8 Å²	46.8	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.8	176.1	78.4	-83	0	0	0	113.3	I158 R159 I186 F200 E201 A202 I203 F208	I158-Y175 HydrophobicContact CG2-CD2 4.21Å; R159-Y175 CarbonylContact O-C 3.59Å; R159-Y175 WeakPolarHBondContact O-CA 3.3Å; Y175-I186 HydrophobicContact CE2-CD1 3.83Å; Y175-F200 HydrophobicContact CD1-CD1 4.12Å; Y175-F200 HydrophobicContact CD1-CD2 4.15Å; Y175-F200 AromaticContact CD1-CE1 3.56Å; Y175-F200 HydrophobicContact CD1-CE1 3.56Å; Y175-F200 AromaticContact CD1-CE2 3.61Å; Y175-F200 HydrophobicContact CD1-CE2 3.61Å; Y175-F200 HydrophobicContact CD1-CG 4.41Å; Y175-F200 AromaticContact CD1-CZ 3.28Å; Y175-F200 HydrophobicContact CD1-CZ 3.28Å; Y175-F200 AromaticContact CE1-CD1 3.99Å; Y175-F200 HydrophobicContact CE1-CD1 3.99Å; Y175-F200 AromaticContact CE1-CE1 3.54Å; Y175-F200 HydrophobicContact CE1-CE1 3.54Å; Y175-F200 HydrophobicContact CE1-CE2 4.4Å; Y175-F200 AromaticContact CE1-CZ 3.79Å; Y175-F200 HydrophobicContact CE1-CZ 3.79Å; Y175-F200 HydrophobicContact CG-CE1 4.35Å; Y175-F200 HydrophobicContact CG-CE2 4.15Å; Y175-F200 AromaticContact CG-CZ 3.76Å; Y175-F200 HydrophobicContact CG-CZ 3.76Å; Y175-E201 WeakPolarHBondContact CD1-O 3.28Å; Y175-E201 PolarHBondContact N-O 3.36Å; Y175-A202 HydrophobicContact CD1-CB 4.45Å; Y175-A202 HydrophobicContact CE1-CB 3.82Å; Y175-A202 HydrophobicContact CE2-CB 4.07Å; Y175-A202 WeakPolarHBondContact O-CA 3.37Å; Y175-I203 PolarHBondContact O-N 2.6Å; Y175-F208 VanDerWaalsContact C-CZ 3.5Å
176	A	98.1	Very high	94.5	Very high	10 Å²	10	46.7 Å²	46.7	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.1	173.1	0	0	0	0	0	106.8	L144 I158 R159 E205 F208	L144-A176 HydrophobicContact CD1-CB 4.05Å; I158-A176 CarbonylContact C-O 3.57Å; I158-A176 WeakPolarHBondContact CA-O 3.01Å; R159-A176 PolarHBondContact N-O 2.85Å; R159-A176 PolarHBondContact O-N 3Å; A176-E205 HydrophobicContact CB-CB 4.17Å; A176-F208 HydrophobicContact CB-CE2 3.49Å; A176-F208 VanDerWaalsContact CB-CE2 3.49Å; A176-F208 HydrophobicContact CB-CZ 3.59Å
177	H	98.3	Very high	94.6	Very high	80 Å²	80	49.2 Å²	49.2	37%	0.37	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	160.5	-174	63.2	84.3	0	0	0	112.3	I157 I158 V181	I157-H177 CarbonylContact O-C 3.56Å; I157-H177 VanDerWaalsContact O-CA 3.23Å; I157-H177 WeakPolarHBondContact O-CA 3.15Å; I157-H177 WeakPolarHBondContact O-CB 3.42Å; I158-H177 HydrophobicContact CG1-CB 4.03Å; H177-V181 HydrophobicContact CB-CB 3.96Å; H177-V181 HydrophobicContact CB-CG1 4.22Å; H177-V181 HydrophobicContact CB-CG2 3.75Å
178	T	97.3	Very high	95	Very high	18 Å²	18	45.7 Å²	45.7	11%	0.11	26%	0.261	C	S	.	.			trans	-72.5	162.9	169.6	52.3	0	0	0	0	111.2	L144 I157 S180 V181	L144-T178 HydrophobicContact CB-CG2 4.29Å; L144-T178 HydrophobicContact CD2-CG2 4.28Å; I157-T178 HydrophobicContact CB-CG2 3.99Å; I157-T178 HydrophobicContact CD1-CG2 4.09Å; I157-T178 HydrophobicContact CG1-CG2 4.49Å; I157-T178 PolarHBondContact N-OG1 3.29Å; I157-T178 PolarHBondContact O-N 3.22Å; I157-T178 PolarHBondContact O-OG1 3.02Å; T178-S180 PolarHBondContact O-N 2.98Å; T178-S180 VanDerWaalsContact O-N 3.16Å; T178-S180 PolarHBondContact OG1-OG 3.46Å; T178-V181 PolarHBondContact O-N 3Å
179	S	95.2	Very high	95.4	Very high	132 Å²	132	40.9 Å²	40.9	92%	0.923	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	175.8	58.6	0	0	0	0	114	V181	S179-V181 VanDerWaalsContact C-N 3.34Å
180	S	95.4	Very high	95.6	Very high	34 Å²	34	40.6 Å²	40.6	24%	0.238	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.4	176	53.2	0	0	0	0	113.5	T155 R156 T178	T155-S180 PolarHBondContact O-OG 3.05Å; T155-S180 VanDerWaalsContact O-OG 3.06Å; R156-S180 WeakPolarHBondContact CD-O 3.44Å; R156-S180 WeakPolarHBondContact CG-O 3.21Å; T178-S180 PolarHBondContact O-N 2.98Å; T178-S180 VanDerWaalsContact O-N 3.16Å; T178-S180 PolarHBondContact OG1-OG 3.46Å
181	V	97.9	Very high	95.7	Very high	14 Å²	14	38.6 Å²	38.6	9%	0.085	21%	0.214	C	C	.	.			trans	-70.9	129	178.8	177.2	0	0	0	0	110.2	L134 R156 I157 I158 H177 T178 S179 D185 I186	L134-V181 HydrophobicContact CD1-CG2 4.49Å; R156-V181 HydrophobicContact CB-CG2 4.04Å; I157-V181 WeakPolarHBondContact O-CG2 3.4Å; I158-V181 HydrophobicContact CD1-CG1 4.07Å; I158-V181 HydrophobicContact CG1-CG1 4.09Å; I158-V181 HydrophobicContact CG1-CG2 3.97Å; H177-V181 HydrophobicContact CB-CB 3.96Å; H177-V181 HydrophobicContact CB-CG1 4.22Å; H177-V181 HydrophobicContact CB-CG2 3.75Å; T178-V181 PolarHBondContact O-N 3Å; S179-V181 VanDerWaalsContact C-N 3.34Å; V181-D185 HydrophobicContact CG1-CB 3.61Å; V181-I186 HydrophobicContact CG1-CD1 3.59Å; V181-I186 HydrophobicContact CG1-CG1 4.08Å
182	T	96.7	Very high	95.8	Very high	48 Å²	48	38.6 Å²	38.6	29%	0.294	21%	0.214	S	C	.	.			trans	-91	164.9	-176.3	76.5	0	0	0	0	112.1	Q184 D185 I186	T182-Q184 VanDerWaalsContact CB-OE1 3.31Å; T182-Q184 PolarHBondContact O-N 2.82Å; T182-Q184 PolarHBondContact OG1-N 3.36Å; T182-Q184 PolarHBondContact OG1-OE1 3.41Å; T182-D185 PolarHBondContact N-OD2 3.03Å; T182-D185 WeakPolarHBondContact O-CB 3.05Å; T182-D185 PolarHBondContact O-N 3.4Å; T182-D185 PolarHBondContact OG1-N 2.91Å; T182-D185 PolarHBondContact OG1-OD2 3.24Å; T182-I186 PolarHBondContact O-N 3.08Å; T182-I186 VanDerWaalsContact O-N 3.09Å
183	E	95.3	Very high	95.8	Very high	144 Å²	144	36.8 Å²	36.8	67%	0.673	20%	0.203	S	C	*	.	H	α-helix	trans	-59.6	-34.7	173	-167.5	-174	165.5	0	0	111.9	D185 I186 N187	E183-D185 VanDerWaalsContact C-N 3.29Å; E183-D185 PolarHBondContact O-N 3.21Å; E183-I186 PolarHBondContact O-N 3.17Å; E183-N187 WeakPolarHBondContact O-CB 3.45Å; E183-N187 VanDerWaalsContact O-CG 3.3Å; E183-N187 PolarHBondContact O-N 2.96Å; E183-N187 PolarHBondContact O-ND2 3.44Å
184	Q	94.7	Very high	95.5	Very high	135 Å²	135	37.5 Å²	37.5	63%	0.631	21%	0.208	S	C	*	.	H	α-helix	trans	-63.6	-35.3	174.6	-61.4	86.2	3.4	0	0	112.1	T182 N187 L188	T182-Q184 VanDerWaalsContact CB-OE1 3.31Å; T182-Q184 PolarHBondContact O-N 2.82Å; T182-Q184 PolarHBondContact OG1-N 3.36Å; T182-Q184 PolarHBondContact OG1-OE1 3.41Å; Q184-N187 PolarHBondContact O-N 3.08Å; Q184-L188 VanDerWaalsContact O-CB 3.29Å; Q184-L188 WeakPolarHBondContact O-CB 3.25Å; Q184-L188 PolarHBondContact O-N 3.5Å
185	D	96.6	Very high	95.2	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-42.9	174.7	-63.9	-38.7	0	0	0	111.7	L134 R156 V181 T182 E183 N187 L188 I189	L134-D185 HydrophobicContact CD1-CB 3.98Å; L134-D185 HydrophobicContact CD2-CB 4Å; R156-D185 VanDerWaalsContact CD-OD2 3.28Å; R156-D185 WeakPolarHBondContact CD-OD2 3.35Å; R156-D185 IonicContact CZ-OD1 2.79Å; R156-D185 VanDerWaalsContact CZ-OD1 3.28Å; R156-D185 IonicContact CZ-OD2 3.65Å; R156-D185 IonicContact NE-OD2 3.62Å; R156-D185 IonicContact NH1-OD1 2.6Å; R156-D185 PolarHBondContact NH1-OD1 2.89Å; R156-D185 IonicContact NH1-OD2 2.62Å; R156-D185 PolarHBondContact NH1-OD2 3.45Å; R156-D185 IonicContact NH2-OD1 2.81Å; V181-D185 HydrophobicContact CG1-CB 3.61Å; T182-D185 PolarHBondContact N-OD2 3.03Å; T182-D185 WeakPolarHBondContact O-CB 3.05Å; T182-D185 PolarHBondContact O-N 3.4Å; T182-D185 PolarHBondContact OG1-N 2.91Å; T182-D185 PolarHBondContact OG1-OD2 3.24Å; E183-D185 VanDerWaalsContact C-N 3.29Å; E183-D185 PolarHBondContact O-N 3.21Å; D185-N187 VanDerWaalsContact C-N 3.32Å; D185-N187 PolarHBondContact O-N 3.04Å; D185-L188 PolarHBondContact O-N 2.97Å; D185-I189 WeakPolarHBondContact O-CB 3.32Å; D185-I189 WeakPolarHBondContact O-CG2 3.27Å; D185-I189 PolarHBondContact O-N 3.42Å
186	I	96.1	Very high	94.9	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-42.5	176.6	-61.5	-51	0	0	0	110.5	I158 Y175 V181 T182 E183 I189 S190	I158-I186 HydrophobicContact CD1-CD1 4.27Å; Y175-I186 HydrophobicContact CE2-CD1 3.83Å; V181-I186 HydrophobicContact CG1-CD1 3.59Å; V181-I186 HydrophobicContact CG1-CG1 4.08Å; T182-I186 PolarHBondContact O-N 3.08Å; T182-I186 VanDerWaalsContact O-N 3.09Å; E183-I186 PolarHBondContact O-N 3.17Å; I186-I189 WeakPolarHBondContact O-CG2 3.38Å; I186-S190 WeakPolarHBondContact O-CB 2.87Å; I186-S190 PolarHBondContact O-N 3.38Å; I186-S190 PolarHBondContact O-OG 3.31Å
187	N	93.8	Very high	94.7	Very high	52 Å²	52	36.5 Å²	36.5	28%	0.278	20%	0.204	S	C	.	.	H	α-helix	trans	-65.4	-43.2	176.4	-72.2	-27	0	0	0	111.8	I30 E183 Q184 D185 A191	I30-N187 HydrophobicContact CD1-CB 4.49Å; E183-N187 WeakPolarHBondContact O-CB 3.45Å; E183-N187 VanDerWaalsContact O-CG 3.3Å; E183-N187 PolarHBondContact O-N 2.96Å; E183-N187 PolarHBondContact O-ND2 3.44Å; Q184-N187 PolarHBondContact O-N 3.08Å; D185-N187 VanDerWaalsContact C-N 3.32Å; D185-N187 PolarHBondContact O-N 3.04Å; N187-A191 VanDerWaalsContact O-CB 3.23Å; N187-A191 WeakPolarHBondContact O-CB 3.28Å; N187-A191 PolarHBondContact O-N 3.1Å
188	L	94.7	Very high	94.3	Very high	8 Å²	8	34 Å²	34	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-53.6	176.1	173.4	64.8	0	0	0	111.3	V33 L34 K37 V109 L134 Q184 D185 A191 L192	V33-L188 HydrophobicContact CG1-CD1 4.08Å; L34-L188 HydrophobicContact CD2-CD1 3.63Å; L34-L188 HydrophobicContact CG-CD1 4.31Å; K37-L188 HydrophobicContact CG-CD1 4.25Å; K37-L188 HydrophobicContact CG-CD2 4.24Å; V109-L188 HydrophobicContact CG2-CD2 3.81Å; L134-L188 HydrophobicContact CD2-CD2 4.36Å; Q184-L188 VanDerWaalsContact O-CB 3.29Å; Q184-L188 WeakPolarHBondContact O-CB 3.25Å; Q184-L188 PolarHBondContact O-N 3.5Å; D185-L188 PolarHBondContact O-N 2.97Å; L188-A191 PolarHBondContact O-N 3.4Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.1Å
189	I	95.8	Very high	94.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-69.4	-36.9	-176.1	-158	56.5	0	0	0	111.2	F111 V136 I158 M160 D185 I186 L192 C193 F200	F111-I189 HydrophobicContact CE1-CD1 4.17Å; F111-I189 HydrophobicContact CZ-CD1 3.78Å; V136-I189 HydrophobicContact CG2-CD1 4.04Å; I158-I189 HydrophobicContact CD1-CB 4.18Å; I158-I189 HydrophobicContact CD1-CG1 4.3Å; I158-I189 HydrophobicContact CD1-CG2 3.8Å; M160-I189 HydrophobicContact CE-CD1 3.94Å; M160-I189 HydrophobicContact CE-CG1 3.72Å; D185-I189 WeakPolarHBondContact O-CB 3.32Å; D185-I189 WeakPolarHBondContact O-CG2 3.27Å; D185-I189 PolarHBondContact O-N 3.42Å; I186-I189 WeakPolarHBondContact O-CG2 3.38Å; I189-L192 HydrophobicContact CD1-CD2 4.2Å; I189-L192 PolarHBondContact O-N 3.34Å; I189-C193 WeakPolarHBondContact O-CB 3.33Å; I189-C193 PolarHBondContact O-N 3.16Å; I189-C193 PolarHBondContact O-SG 3.02Å; I189-C193 VanDerWaalsContact O-SG 3.36Å; I189-F200 HydrophobicContact CG1-CZ 4.48Å; I189-F200 HydrophobicContact CG2-CE1 4.25Å; I189-F200 HydrophobicContact CG2-CZ 4.34Å
190	S	93.8	Very high	94	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-42.1	177.6	-61.5	0	0	0	0	111.4	I186 S194	I186-S190 WeakPolarHBondContact O-CB 2.87Å; I186-S190 PolarHBondContact O-N 3.38Å; I186-S190 PolarHBondContact O-OG 3.31Å; S190-S194 WeakPolarHBondContact O-CB 3.31Å; S190-S194 PolarHBondContact O-N 2.68Å; S190-S194 PolarHBondContact O-OG 2.92Å
191	A	92	Very high	94	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-49.6	174.1	0	0	0	0	0	110.6	Y24 M26 I30 L34 N187 L188 S194	Y24-A191 HydrophobicContact CD1-CB 4Å; Y24-A191 HydrophobicContact CE1-CB 4.16Å; M26-A191 HydrophobicContact CE-CB 4.15Å; M26-A191 WeakPolarHBondContact CE-O 3.36Å; I30-A191 HydrophobicContact CD1-CB 4.22Å; I30-A191 HydrophobicContact CG1-CB 3.46Å; I30-A191 VanDerWaalsContact CG1-CB 3.46Å; L34-A191 HydrophobicContact CD1-CB 4.18Å; N187-A191 VanDerWaalsContact O-CB 3.23Å; N187-A191 WeakPolarHBondContact O-CB 3.28Å; N187-A191 PolarHBondContact O-N 3.1Å; L188-A191 PolarHBondContact O-N 3.4Å; A191-S194 PolarHBondContact O-OG 3.32Å
192	L	94.2	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58	-53	177.2	176.6	56.3	0	0	0	112.2	L34 Y39 F55 V60 M61 F111 L188 I189 S194 S195	L34-L192 HydrophobicContact CD2-CB 3.91Å; Y39-L192 HydrophobicContact CD1-CD2 4.12Å; Y39-L192 HydrophobicContact CE1-CD2 3.72Å; F55-L192 HydrophobicContact CB-CD1 4.29Å; F55-L192 HydrophobicContact CD1-CD1 3.41Å; F55-L192 VanDerWaalsContact CD1-CD1 3.41Å; F55-L192 HydrophobicContact CD1-CG 4.02Å; F55-L192 HydrophobicContact CD2-CD1 4.09Å; F55-L192 HydrophobicContact CE1-CD1 3.58Å; F55-L192 HydrophobicContact CE1-CG 3.62Å; F55-L192 VanDerWaalsContact CE1-O 3.31Å; F55-L192 WeakPolarHBondContact CE1-O 3.26Å; F55-L192 HydrophobicContact CE2-CD1 4.23Å; F55-L192 HydrophobicContact CE2-CD2 4.27Å; F55-L192 HydrophobicContact CE2-CG 4.22Å; F55-L192 HydrophobicContact CG-CD1 3.7Å; F55-L192 HydrophobicContact CG-CG 4.49Å; F55-L192 HydrophobicContact CZ-CD1 4Å; F55-L192 HydrophobicContact CZ-CD2 4.16Å; F55-L192 HydrophobicContact CZ-CG 3.74Å; V60-L192 HydrophobicContact CG2-CD1 3.66Å; M61-L192 HydrophobicContact CE-CD1 3.3Å; M61-L192 HydrophobicContact CE-CD2 4.08Å; M61-L192 HydrophobicContact CE-CG 4.33Å; F111-L192 HydrophobicContact CE2-CD2 4.08Å; F111-L192 HydrophobicContact CZ-CD2 3.75Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.1Å; I189-L192 HydrophobicContact CD1-CD2 4.2Å; I189-L192 PolarHBondContact O-N 3.34Å; L192-S194 PolarHBondContact O-N 3.12Å; L192-S195 PolarHBondContact O-N 3.16Å; L192-S195 PolarHBondContact O-OG 2.97Å; L192-S195 VanDerWaalsContact O-OG 3.06Å
193	C	94.4	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-35.1	-176.6	-77.5	0	0	0	0	113.4	M160 I189 S195 I196 F197 F200	M160-C193 WeakPolarHBondContact CE-SG 3.13Å; I189-C193 WeakPolarHBondContact O-CB 3.33Å; I189-C193 PolarHBondContact O-N 3.16Å; I189-C193 PolarHBondContact O-SG 3.02Å; I189-C193 VanDerWaalsContact O-SG 3.36Å; C193-S195 PolarHBondContact O-N 3.11Å; C193-I196 PolarHBondContact O-N 2.92Å; C193-F197 HydrophobicContact CB-CD2 3.76Å; C193-F197 HydrophobicContact CB-CE2 4.47Å; C193-F197 WeakPolarHBondContact O-CB 3.36Å; C193-F197 WeakPolarHBondContact O-CD2 3.3Å; C193-F197 PolarHBondContact O-N 3.48Å; C193-F200 HydrophobicContact CB-CD1 3.83Å; C193-F200 HydrophobicContact CB-CD2 3.91Å; C193-F200 HydrophobicContact CB-CE1 3.85Å; C193-F200 HydrophobicContact CB-CE2 3.92Å; C193-F200 HydrophobicContact CB-CG 3.85Å; C193-F200 HydrophobicContact CB-CZ 3.89Å
194	S	90.8	Very high	94	Very high	16 Å²	16	34.1 Å²	34.1	11%	0.112	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.9	-179.9	71.9	0	0	0	0	114.3	Y24 S190 A191 L192	Y24-S194 VanDerWaalsContact CB-OG 3.3Å; Y24-S194 WeakPolarHBondContact CB-OG 3.34Å; S190-S194 WeakPolarHBondContact O-CB 3.31Å; S190-S194 PolarHBondContact O-N 2.68Å; S190-S194 PolarHBondContact O-OG 2.92Å; A191-S194 PolarHBondContact O-OG 3.32Å; L192-S194 PolarHBondContact O-N 3.12Å
195	S	89.2	Confident	94.1	Very high	25 Å²	25	30 Å²	30	18%	0.175	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.3	178.4	84	0	0	0	0	113.6	S58 L192 C193	S58-S195 VanDerWaalsContact OG-CB 3.3Å; S58-S195 WeakPolarHBondContact OG-CB 3.48Å; S58-S195 PolarHBondContact OG-OG 2.66Å; L192-S195 PolarHBondContact O-N 3.16Å; L192-S195 PolarHBondContact O-OG 2.97Å; L192-S195 VanDerWaalsContact O-OG 3.06Å; C193-S195 PolarHBondContact O-N 3.11Å
196	I	92.8	Very high	94	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-14.9	-178.9	63.6	174.5	0	0	0	114.2	L51 F55 C166 G169 G171 C193 P198	L51-I196 HydrophobicContact CD2-CD1 3.86Å; F55-I196 HydrophobicContact CD1-CD1 3.64Å; F55-I196 HydrophobicContact CD1-CG1 4.01Å; F55-I196 HydrophobicContact CD1-CG2 4.2Å; F55-I196 HydrophobicContact CE1-CD1 3.22Å; F55-I196 HydrophobicContact CE1-CG1 3.58Å; F55-I196 HydrophobicContact CE2-CD1 4.28Å; F55-I196 HydrophobicContact CG-CD1 4.31Å; F55-I196 HydrophobicContact CZ-CD1 3.59Å; F55-I196 HydrophobicContact CZ-CG1 4.34Å; C166-I196 HydrophobicContact CB-CB 4.27Å; C166-I196 HydrophobicContact CB-CD1 4.04Å; C166-I196 HydrophobicContact CB-CG1 4.31Å; G169-I196 CarbonylContact C-O 3.05Å; G171-I196 WeakPolarHBondContact CA-O 3.29Å; G171-I196 PolarHBondContact N-O 2.9Å; C193-I196 PolarHBondContact O-N 2.92Å; I196-P198 WeakPolarHBondContact O-CD 3.21Å
197	F	93.9	Very high	94	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	22%	0.223	C	C	.	.			trans	-119.8	89.4	178.2	-56.5	-64.2	0	0	0	110.3	L51 M160 P162 C166 G171 A173 C193 V199 F200	L51-F197 HydrophobicContact CD2-CE2 3.88Å; L51-F197 HydrophobicContact CD2-CZ 3.55Å; M160-F197 HydrophobicContact SD-CE2 4.39Å; P162-F197 HydrophobicContact CB-CE1 3.5Å; P162-F197 HydrophobicContact CB-CE2 4.32Å; P162-F197 HydrophobicContact CB-CZ 3.32Å; P162-F197 HydrophobicContact CG-CZ 4.46Å; C166-F197 HydrophobicContact CB-CD1 4.02Å; C166-F197 HydrophobicContact CB-CE1 3.32Å; C166-F197 HydrophobicContact CB-CZ 3.72Å; G171-F197 WeakPolarHBondContact O-CA 3.5Å; A173-F197 HydrophobicContact CB-CB 4.36Å; A173-F197 HydrophobicContact CB-CD1 3.7Å; A173-F197 HydrophobicContact CB-CD2 3.91Å; A173-F197 HydrophobicContact CB-CE1 3.85Å; A173-F197 HydrophobicContact CB-CE2 4.08Å; A173-F197 HydrophobicContact CB-CG 3.73Å; A173-F197 HydrophobicContact CB-CZ 4.07Å; C193-F197 HydrophobicContact CB-CD2 3.76Å; C193-F197 HydrophobicContact CB-CE2 4.47Å; C193-F197 WeakPolarHBondContact O-CB 3.36Å; C193-F197 WeakPolarHBondContact O-CD2 3.3Å; C193-F197 PolarHBondContact O-N 3.48Å; F197-V199 PolarHBondContact O-N 2.79Å; F197-V199 VanDerWaalsContact O-N 3.16Å; F197-F200 HydrophobicContact CB-CB 4.14Å
198	P	90.5	Very high	94	Very high	28 Å²	28	35.1 Å²	35.1	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-56.3	-25.9	172.3	-32.2	39.4	0	0	0	114.8	T21 G171 I196	T21-P198 HydrophobicContact CG2-CB 3.71Å; T21-P198 HydrophobicContact CG2-CG 3.39Å; G171-P198 WeakPolarHBondContact O-CD 3.28Å; I196-P198 WeakPolarHBondContact O-CD 3.21Å
199	V	91.5	Very high	94	Very high	71 Å²	71	35.9 Å²	35.9	43%	0.43	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	109.3	169.5	-179.3	0	0	0	0	107.2	T172 A173 F197 E201	T172-V199 WeakPolarHBondContact CA-O 3.45Å; T172-V199 HydrophobicContact CG2-CB 3.97Å; T172-V199 HydrophobicContact CG2-CG2 4.39Å; A173-V199 PolarHBondContact N-O 3.41Å; F197-V199 PolarHBondContact O-N 2.79Å; F197-V199 VanDerWaalsContact O-N 3.16Å; V199-E201 HydrophobicContact CG1-CG 3.84Å
200	F	93.6	Very high	94	Very high	28 Å²	28	37.6 Å²	37.6	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	96.4	178.1	-177	-118.7	0	0	0	108.7	M160 A173 Y175 I189 C193 F197	M160-F200 HydrophobicContact CE-CE2 4.02Å; M160-F200 HydrophobicContact CE-CZ 4.07Å; M160-F200 HydrophobicContact CG-CE2 4.17Å; M160-F200 HydrophobicContact SD-CE2 4.15Å; A173-F200 HydrophobicContact CB-CD2 3.74Å; A173-F200 HydrophobicContact CB-CE2 4.15Å; A173-F200 VanDerWaalsContact O-CA 3.3Å; A173-F200 WeakPolarHBondContact O-CA 3.2Å; Y175-F200 HydrophobicContact CD1-CD1 4.12Å; Y175-F200 HydrophobicContact CD1-CD2 4.15Å; Y175-F200 AromaticContact CD1-CE1 3.56Å; Y175-F200 HydrophobicContact CD1-CE1 3.56Å; Y175-F200 AromaticContact CD1-CE2 3.61Å; Y175-F200 HydrophobicContact CD1-CE2 3.61Å; Y175-F200 HydrophobicContact CD1-CG 4.41Å; Y175-F200 AromaticContact CD1-CZ 3.28Å; Y175-F200 HydrophobicContact CD1-CZ 3.28Å; Y175-F200 AromaticContact CE1-CD1 3.99Å; Y175-F200 HydrophobicContact CE1-CD1 3.99Å; Y175-F200 AromaticContact CE1-CE1 3.54Å; Y175-F200 HydrophobicContact CE1-CE1 3.54Å; Y175-F200 HydrophobicContact CE1-CE2 4.4Å; Y175-F200 AromaticContact CE1-CZ 3.79Å; Y175-F200 HydrophobicContact CE1-CZ 3.79Å; Y175-F200 HydrophobicContact CG-CE1 4.35Å; Y175-F200 HydrophobicContact CG-CE2 4.15Å; Y175-F200 AromaticContact CG-CZ 3.76Å; Y175-F200 HydrophobicContact CG-CZ 3.76Å; I189-F200 HydrophobicContact CG1-CZ 4.48Å; I189-F200 HydrophobicContact CG2-CE1 4.25Å; I189-F200 HydrophobicContact CG2-CZ 4.34Å; C193-F200 HydrophobicContact CB-CD1 3.83Å; C193-F200 HydrophobicContact CB-CD2 3.91Å; C193-F200 HydrophobicContact CB-CE1 3.85Å; C193-F200 HydrophobicContact CB-CE2 3.92Å; C193-F200 HydrophobicContact CB-CG 3.85Å; C193-F200 HydrophobicContact CB-CZ 3.89Å; F197-F200 HydrophobicContact CB-CB 4.14Å
201	E	94.8	Very high	94.1	Very high	111 Å²	111	37.5 Å²	37.5	52%	0.519	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.3	-166.3	-66.3	-63.5	158.3	0	0	112.1	A173 V174 Y175 V199 I203	A173-E201 PolarHBondContact O-N 3.32Å; V174-E201 CarbonylContact C-O 3.54Å; V174-E201 VanDerWaalsContact CA-O 3.26Å; V174-E201 WeakPolarHBondContact CA-O 3.2Å; Y175-E201 WeakPolarHBondContact CD1-O 3.28Å; Y175-E201 PolarHBondContact N-O 3.36Å; V199-E201 HydrophobicContact CG1-CG 3.84Å; E201-I203 HydrophobicContact CB-CG2 4.49Å
202	A	96.8	Very high	94.1	Very high	60 Å²	60	39 Å²	39	50%	0.496	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.5	169.1	0	0	0	0	0	109.1	Y175	Y175-A202 HydrophobicContact CD1-CB 4.45Å; Y175-A202 HydrophobicContact CE1-CB 3.82Å; Y175-A202 HydrophobicContact CE2-CB 4.07Å; Y175-A202 WeakPolarHBondContact O-CA 3.37Å
203	I	97.3	Very high	94.1	Very high	40 Å²	40	39 Å²	39	21%	0.205	24%	0.238	C	C	.	.			trans	-134.3	155.8	176.2	69.7	173.9	0	0	0	110.7	V174 Y175 E201 E205 L207 F208 A211	V174-I203 HydrophobicContact CB-CD1 3.75Å; V174-I203 HydrophobicContact CB-CG1 4.01Å; V174-I203 HydrophobicContact CG1-CD1 3.97Å; V174-I203 HydrophobicContact CG1-CG2 4.4Å; V174-I203 HydrophobicContact CG2-CD1 3.79Å; V174-I203 HydrophobicContact CG2-CG1 4.37Å; Y175-I203 PolarHBondContact O-N 2.6Å; E201-I203 HydrophobicContact CB-CG2 4.49Å; I203-E205 PolarHBondContact O-N 3.3Å; I203-L207 HydrophobicContact CD1-CB 4.09Å; I203-F208 HydrophobicContact CD1-CD2 3.85Å; I203-F208 HydrophobicContact CD1-CE2 4.08Å; I203-F208 HydrophobicContact CG1-CD2 3.81Å; I203-F208 HydrophobicContact CG1-CE2 3.6Å; I203-A211 HydrophobicContact CD1-CB 3.73Å
204	P	96.9	Very high	94.3	Very high	82 Å²	82	43.6 Å²	43.6	53%	0.532	27%	0.266	S	S	.	.			trans	-53.3	136.6	167.7	-25.6	34.1	0	0	0	111.7	S206 L207	P204-S206 PolarHBondContact O-N 3.36Å; P204-S206 VanDerWaalsContact O-N 3.13Å; P204-L207 HydrophobicContact CB-CG 4.46Å; P204-L207 HydrophobicContact CG-CD1 4.34Å; P204-L207 PolarHBondContact O-N 3.08Å
205	E	96	Very high	94.5	Very high	48 Å²	48	43.9 Å²	43.9	22%	0.224	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.9	-30.9	-178.7	-174.5	174.1	-148.3	0	0	112.5	T143 L144 R159 A176 I203 L207 F208	T143-E205 VanDerWaalsContact CA-OE1 3.22Å; T143-E205 WeakPolarHBondContact CA-OE1 3.29Å; L144-E205 WeakPolarHBondContact CG-OE1 3.33Å; L144-E205 PolarHBondContact N-OE1 3.4Å; R159-E205 WeakPolarHBondContact CD-OE1 3.44Å; R159-E205 IonicContact CZ-OE1 2.71Å; R159-E205 IonicContact NE-OE1 3.28Å; R159-E205 IonicContact NH1-OE1 3.56Å; R159-E205 PolarHBondContact NH1-OE1 3.33Å; A176-E205 HydrophobicContact CB-CB 4.17Å; I203-E205 PolarHBondContact O-N 3.3Å; E205-L207 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact O-N 3.12Å; E205-F208 HydrophobicContact CG-CD2 4.47Å; E205-F208 WeakPolarHBondContact O-CB 3.44Å; E205-F208 PolarHBondContact O-N 2.79Å
206	S	94.5	Very high	94.6	Very high	104 Å²	104	44 Å²	44	73%	0.727	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-59.2	-21.5	175.2	56	0	0	0	0	114.2	P204	P204-S206 PolarHBondContact O-N 3.36Å; P204-S206 VanDerWaalsContact O-N 3.13Å
207	L	96.1	Very high	94.7	Very high	92 Å²	92	45.4 Å²	45.4	48%	0.482	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-95	1.6	178.9	-60.9	-177.4	0	0	0	113.5	I203 P204 E205 N209 A210 A211	I203-L207 HydrophobicContact CD1-CB 4.09Å; P204-L207 HydrophobicContact CB-CG 4.46Å; P204-L207 HydrophobicContact CG-CD1 4.34Å; P204-L207 PolarHBondContact O-N 3.08Å; E205-L207 PolarHBondContact O-N 3.4Å; E205-L207 VanDerWaalsContact O-N 3.12Å; L207-N209 PolarHBondContact O-N 2.98Å; L207-A210 PolarHBondContact O-N 3.17Å; L207-A211 PolarHBondContact O-N 2.94Å
208	F	95	Very high	94.8	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-43.3	-176.3	-93.7	-126.7	0	0	0	113.3	R159 M161 V174 Y175 A176 I203 E205 A210 A211 V212	R159-F208 HydrophobicContact CB-CE1 4.11Å; R159-F208 HydrophobicContact CB-CZ 4.45Å; R159-F208 HydrophobicContact CG-CD1 4.16Å; R159-F208 HydrophobicContact CG-CE1 3.64Å; R159-F208 HydrophobicContact CG-CZ 4.43Å; R159-F208 WeakPolarHBondContact O-CZ 3.38Å; M161-F208 HydrophobicContact CB-CD1 4.22Å; M161-F208 HydrophobicContact CB-CE1 4.25Å; V174-F208 HydrophobicContact CG2-CE1 4.49Å; V174-F208 HydrophobicContact CG2-CE2 4.5Å; V174-F208 HydrophobicContact CG2-CZ 4.41Å; Y175-F208 VanDerWaalsContact C-CZ 3.5Å; A176-F208 HydrophobicContact CB-CE2 3.49Å; A176-F208 VanDerWaalsContact CB-CE2 3.49Å; A176-F208 HydrophobicContact CB-CZ 3.59Å; I203-F208 HydrophobicContact CD1-CD2 3.85Å; I203-F208 HydrophobicContact CD1-CE2 4.08Å; I203-F208 HydrophobicContact CG1-CD2 3.81Å; I203-F208 HydrophobicContact CG1-CE2 3.6Å; E205-F208 HydrophobicContact CG-CD2 4.47Å; E205-F208 WeakPolarHBondContact O-CB 3.44Å; E205-F208 PolarHBondContact O-N 2.79Å; F208-A210 VanDerWaalsContact C-N 3.3Å; F208-A210 PolarHBondContact O-N 3.15Å; F208-A211 PolarHBondContact O-N 3.03Å; F208-V212 WeakPolarHBondContact O-CG2 3.43Å; F208-V212 PolarHBondContact O-N 2.77Å
209	N	93.8	Very high	95.1	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-36.7	-179.1	-68.4	-26.2	0	0	0	111.5	L207 V212 G213 C303 E307	L207-N209 PolarHBondContact O-N 2.98Å; N209-V212 PolarHBondContact O-N 2.98Å; N209-G213 PolarHBondContact O-N 2.94Å; N209-G213 VanDerWaalsContact O-N 3.14Å; N209-C303 HydrophobicContact CB-CB 4.47Å; N209-E307 VanDerWaalsContact ND2-CG 3.31Å; N209-E307 WeakPolarHBondContact ND2-CG 3.48Å; N209-E307 PolarHBondContact ND2-N 2.83Å
210	A	95.8	Very high	95.4	Very high	38 Å²	38	45.4 Å²	45.4	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-44.7	171.7	0	0	0	0	0	111.6	L207 F208 V212 G213 V214	L207-A210 PolarHBondContact O-N 3.17Å; F208-A210 VanDerWaalsContact C-N 3.3Å; F208-A210 PolarHBondContact O-N 3.15Å; A210-V212 VanDerWaalsContact C-N 3.32Å; A210-V212 PolarHBondContact O-N 3.15Å; A210-G213 PolarHBondContact O-N 3.3Å; A210-G213 VanDerWaalsContact O-N 3.13Å; A210-V214 WeakPolarHBondContact O-CG2 3.35Å; A210-V214 PolarHBondContact O-N 2.81Å
211	A	95.8	Very high	95.6	Very high	16 Å²	16	46 Å²	46	13%	0.132	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-39.3	176.5	0	0	0	0	0	112.4	V174 I203 L207 F208 V214 S215	V174-A211 HydrophobicContact CG1-CB 4.09Å; V174-A211 HydrophobicContact CG2-CB 3.78Å; I203-A211 HydrophobicContact CD1-CB 3.73Å; L207-A211 PolarHBondContact O-N 2.94Å; F208-A211 PolarHBondContact O-N 3.03Å; A211-V214 PolarHBondContact O-N 2.84Å; A211-S215 PolarHBondContact O-N 2.84Å; A211-S215 PolarHBondContact O-OG 3.44Å; A211-S215 VanDerWaalsContact O-OG 3.05Å
212	V	92.8	Very high	95.7	Very high	33 Å²	33	44.3 Å²	44.3	20%	0.2	29%	0.285	C	S	.	.	I	π-helix	trans	-60.4	-45.5	173	174.7	0	0	0	0	111.2	M161 F208 N209 A210 V214 G216 S217 V302	M161-V212 HydrophobicContact CB-CG2 4.48Å; M161-V212 HydrophobicContact CG-CG2 3.37Å; M161-V212 HydrophobicContact SD-CG2 4.34Å; F208-V212 WeakPolarHBondContact O-CG2 3.43Å; F208-V212 PolarHBondContact O-N 2.77Å; N209-V212 PolarHBondContact O-N 2.98Å; A210-V212 VanDerWaalsContact C-N 3.32Å; A210-V212 PolarHBondContact O-N 3.15Å; V212-V214 VanDerWaalsContact C-N 3.3Å; V212-V214 PolarHBondContact O-N 3.16Å; V212-G216 CarbonylContact O-C 3.55Å; V212-G216 VanDerWaalsContact O-CA 3.27Å; V212-G216 WeakPolarHBondContact O-CA 3.35Å; V212-G216 PolarHBondContact O-N 3.28Å; V212-S217 PolarHBondContact O-N 3.36Å; V212-V302 HydrophobicContact CB-CG1 4.43Å; V212-V302 HydrophobicContact CG1-CG1 3.8Å
213	G	94.6	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-59.6	-40.6	175.9	0	0	0	0	0	112.7	N209 A210 S218	N209-G213 PolarHBondContact O-N 2.94Å; N209-G213 VanDerWaalsContact O-N 3.14Å; A210-G213 PolarHBondContact O-N 3.3Å; A210-G213 VanDerWaalsContact O-N 3.13Å; G213-S218 PolarHBondContact O-OG 3.24Å
214	V	96.7	Very high	95.9	Very high	95 Å²	95	51.8 Å²	51.8	58%	0.576	31%	0.306	S	S	*	.	I	π-helix	trans	-77.3	-41	-178.1	174	0	0	0	0	113.1	A210 A211 V212 S218 V299	A210-V214 WeakPolarHBondContact O-CG2 3.35Å; A210-V214 PolarHBondContact O-N 2.81Å; A211-V214 PolarHBondContact O-N 2.84Å; V212-V214 VanDerWaalsContact C-N 3.3Å; V212-V214 PolarHBondContact O-N 3.16Å; V214-S218 WeakPolarHBondContact O-CB 3.48Å; V214-S218 PolarHBondContact O-OG 2.89Å; V214-V299 HydrophobicContact CG2-CG1 4.18Å
215	S	95.3	Very high	95.9	Very high	22 Å²	22	50.9 Å²	50.9	15%	0.154	30%	0.296	C	S	.	.	I	π-helix	trans	-121	-34.3	-169.2	78.6	0	0	0	0	114.6	N163 T172 A211 P219	N163-S215 WeakPolarHBondContact CB-O 3.36Å; N163-S215 PolarHBondContact ND2-O 3.38Å; T172-S215 WeakPolarHBondContact OG1-CB 3.49Å; A211-S215 PolarHBondContact O-N 2.84Å; A211-S215 PolarHBondContact O-OG 3.44Å; A211-S215 VanDerWaalsContact O-OG 3.05Å; S215-P219 WeakPolarHBondContact O-CD 3.38Å
216	G	92.5	Very high	96	Very high	28 Å²	28	49.7 Å²	49.7	29%	0.289	29%	0.291	S	S	.	.	I	π-helix	trans	-74.5	-46.2	-177.8	0	0	0	0	0	112.7	V212 P219	V212-G216 CarbonylContact O-C 3.55Å; V212-G216 VanDerWaalsContact O-CA 3.27Å; V212-G216 WeakPolarHBondContact O-CA 3.35Å; V212-G216 PolarHBondContact O-N 3.28Å; G216-P219 WeakPolarHBondContact O-CD 3.14Å
217	S	94.6	Very high	96.2	Very high	31 Å²	31	50.6 Å²	50.6	22%	0.217	28%	0.284	C	S	.	.	S	Bend	trans	-88.9	-24.5	-178.2	-63.2	0	0	0	0	113.7	V212 A220 Y221	V212-S217 PolarHBondContact O-N 3.36Å; S217-A220 WeakPolarHBondContact O-CB 3.46Å; S217-A220 PolarHBondContact O-N 2.79Å; S217-Y221 WeakPolarHBondContact CB-OH 3.26Å
218	S	96.6	Very high	96.3	Very high	30 Å²	30	49.1 Å²	49.1	21%	0.21	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-30.3	-177	-71.1	0	0	0	0	117.1	G213 V214 A220 Y221 I222	G213-S218 PolarHBondContact O-OG 3.24Å; V214-S218 WeakPolarHBondContact O-CB 3.48Å; V214-S218 PolarHBondContact O-OG 2.89Å; S218-A220 PolarHBondContact O-N 3.02Å; S218-Y221 VanDerWaalsContact CA-CD2 3.47Å; S218-Y221 WeakPolarHBondContact O-CB 3.43Å; S218-Y221 PolarHBondContact O-N 2.81Å; S218-I222 WeakPolarHBondContact O-CG1 3.29Å; S218-I222 PolarHBondContact O-N 3.37Å
219	P	96.2	Very high	96.5	Very high	17 Å²	17	53 Å²	53	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-52.2	-39.8	171.3	-29.3	36.6	0	0	0	112.9	P165 S215 G216 Y221 I222 Y223	P165-P219 HydrophobicContact CG-CG 4.2Å; S215-P219 WeakPolarHBondContact O-CD 3.38Å; G216-P219 WeakPolarHBondContact O-CD 3.14Å; P219-Y221 PolarHBondContact O-N 3.31Å; P219-I222 PolarHBondContact O-N 3.21Å; P219-Y223 HydrophobicContact CB-CE2 4.09Å; P219-Y223 WeakPolarHBondContact O-CD1 3.35Å; P219-Y223 WeakPolarHBondContact O-CD2 3.06Å; P219-Y223 PolarHBondContact O-N 2.83Å
220	A	97.6	Very high	96.7	Very high	54 Å²	54	52.1 Å²	52.1	45%	0.446	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-40	176.8	0	0	0	0	0	112.3	S217 S218 Y223 M224	S217-A220 WeakPolarHBondContact O-CB 3.46Å; S217-A220 PolarHBondContact O-N 2.79Å; S218-A220 PolarHBondContact O-N 3.02Å; A220-Y223 PolarHBondContact O-N 2.81Å; A220-M224 PolarHBondContact O-N 3.41Å
221	Y	98	Very high	96.9	Very high	41 Å²	41	53.5 Å²	53.5	16%	0.161	30%	0.303	C	S	.	.	H	α-helix	trans	-64	-43.7	177	-47.5	-25.9	0	0	0	110.8	S217 S218 P219 Y223 M224 I225 A298 V299 V302	S217-Y221 WeakPolarHBondContact CB-OH 3.26Å; S218-Y221 VanDerWaalsContact CA-CD2 3.47Å; S218-Y221 WeakPolarHBondContact O-CB 3.43Å; S218-Y221 PolarHBondContact O-N 2.81Å; P219-Y221 PolarHBondContact O-N 3.31Å; Y221-Y223 PolarHBondContact O-N 3.36Å; Y221-M224 PolarHBondContact O-N 3.14Å; Y221-I225 VanDerWaalsContact O-CG1 3.29Å; Y221-I225 WeakPolarHBondContact O-CG1 3.06Å; Y221-I225 PolarHBondContact O-N 3.31Å; Y221-A298 HydrophobicContact CE1-CB 4.4Å; Y221-V299 HydrophobicContact CE2-CG2 4.48Å; Y221-V302 VanDerWaalsContact OH-CG2 3.22Å; Y221-V302 WeakPolarHBondContact OH-CG2 3.34Å
222	I	97.9	Very high	97	Very high	74 Å²	74	55 Å²	55	38%	0.379	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-40	177.9	-61.6	-56	0	0	0	111.2	S218 P219 I225 T226 I251	S218-I222 WeakPolarHBondContact O-CG1 3.29Å; S218-I222 PolarHBondContact O-N 3.37Å; P219-I222 PolarHBondContact O-N 3.21Å; I222-I225 PolarHBondContact O-N 3.09Å; I222-T226 WeakPolarHBondContact O-CB 3.37Å; I222-T226 PolarHBondContact O-N 3.39Å; I222-T226 PolarHBondContact O-OG1 3.34Å; I222-I251 HydrophobicContact CG2-CD1 4.32Å; I222-I251 HydrophobicContact CG2-CG2 4.34Å
223	Y	98.1	Very high	97.3	Very high	140 Å²	140	53.9 Å²	53.9	55%	0.549	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-44.3	174.9	-58.6	-29.4	0	0	0	111.8	P219 A220 Y221 T226 E227	P219-Y223 HydrophobicContact CB-CE2 4.09Å; P219-Y223 WeakPolarHBondContact O-CD1 3.35Å; P219-Y223 WeakPolarHBondContact O-CD2 3.06Å; P219-Y223 PolarHBondContact O-N 2.83Å; A220-Y223 PolarHBondContact O-N 2.81Å; Y221-Y223 PolarHBondContact O-N 3.36Å; Y223-T226 WeakPolarHBondContact O-CB 3.38Å; Y223-T226 PolarHBondContact O-N 3.31Å; Y223-E227 WeakPolarHBondContact O-CB 3.33Å; Y223-E227 PolarHBondContact O-N 3.33Å
224	M	98.3	Very high	97.5	Very high	118 Å²	118	56.3 Å²	56.3	58%	0.581	33%	0.325	S	S	*	.	H	α-helix	trans	-63.3	-42.7	177.7	-165.7	-169.7	-37.4	0	0	112.4	A220 Y221 T226 E227 A228	A220-M224 PolarHBondContact O-N 3.41Å; Y221-M224 PolarHBondContact O-N 3.14Å; M224-T226 VanDerWaalsContact C-N 3.33Å; M224-T226 PolarHBondContact O-N 3.47Å; M224-E227 PolarHBondContact O-N 3.38Å; M224-A228 WeakPolarHBondContact O-CB 3.41Å; M224-A228 PolarHBondContact O-N 3Å
225	I	98.1	Very high	97.6	Very high	63 Å²	63	59.1 Å²	59.1	32%	0.323	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.6	-69.3	164.4	0	0	0	110.6	Y221 I222 E227 A228 I229	Y221-I225 VanDerWaalsContact O-CG1 3.29Å; Y221-I225 WeakPolarHBondContact O-CG1 3.06Å; Y221-I225 PolarHBondContact O-N 3.31Å; I222-I225 PolarHBondContact O-N 3.09Å; I225-E227 VanDerWaalsContact C-N 3.35Å; I225-A228 PolarHBondContact O-N 2.8Å; I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 WeakPolarHBondContact O-CG1 3.42Å; I225-I229 PolarHBondContact O-N 3Å; I225-I229 VanDerWaalsContact O-N 3.07Å
226	T	98.5	Very high	97.7	Very high	22 Å²	22	65.2 Å²	65.2	14%	0.135	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-43	178.4	-55.9	0	0	0	0	111.3	I222 Y223 M224 T230 I247 V248 I251	I222-T226 WeakPolarHBondContact O-CB 3.37Å; I222-T226 PolarHBondContact O-N 3.39Å; I222-T226 PolarHBondContact O-OG1 3.34Å; Y223-T226 WeakPolarHBondContact O-CB 3.38Å; Y223-T226 PolarHBondContact O-N 3.31Å; M224-T226 VanDerWaalsContact C-N 3.33Å; M224-T226 PolarHBondContact O-N 3.47Å; T226-T230 WeakPolarHBondContact O-CB 3.43Å; T226-T230 PolarHBondContact O-N 3.24Å; T226-T230 PolarHBondContact O-OG1 3.46Å; T226-I247 HydrophobicContact CG2-CG1 4.19Å; T226-I247 HydrophobicContact CG2-CG2 3.64Å; T226-V248 HydrophobicContact CG2-CG2 4.04Å; T226-I251 HydrophobicContact CG2-CD1 4.39Å; T226-I251 WeakPolarHBondContact OG1-CD1 3.23Å
227	E	98.5	Very high	98	Very high	123 Å²	123	67 Å²	67	58%	0.575	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-51	176.9	-177.5	172.8	-113.8	0	0	111.2	Y223 M224 I225 I229 T230 D231	Y223-E227 WeakPolarHBondContact O-CB 3.33Å; Y223-E227 PolarHBondContact O-N 3.33Å; M224-E227 PolarHBondContact O-N 3.38Å; I225-E227 VanDerWaalsContact C-N 3.35Å; E227-I229 VanDerWaalsContact C-N 3.35Å; E227-I229 PolarHBondContact O-N 3.5Å; E227-T230 WeakPolarHBondContact O-CB 3.32Å; E227-T230 PolarHBondContact O-N 3.34Å; E227-T230 VanDerWaalsContact O-N 3.09Å; E227-D231 PolarHBondContact O-N 2.87Å
228	A	98.5	Very high	98.2	Very high	62 Å²	62	69.1 Å²	69.1	51%	0.512	39%	0.393	S	S	.	.	H	α-helix	trans	-58.6	-43	179.5	0	0	0	0	0	112.9	M224 I225 D231 A232	M224-A228 WeakPolarHBondContact O-CB 3.41Å; M224-A228 PolarHBondContact O-N 3Å; I225-A228 PolarHBondContact O-N 2.8Å; A228-D231 PolarHBondContact O-N 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.41Å; A228-A232 PolarHBondContact O-N 3.41Å
229	I	98.5	Very high	98.3	Very high	83 Å²	83	71.3 Å²	71.3	43%	0.426	41%	0.406	S	S	.	.	H	α-helix	trans	-70.3	-36.5	177.2	-64.4	167.4	0	0	0	111.2	I225 E227 A232 G233 I247	I225-I229 HydrophobicContact CG2-CD1 3.81Å; I225-I229 WeakPolarHBondContact O-CG1 3.42Å; I225-I229 PolarHBondContact O-N 3Å; I225-I229 VanDerWaalsContact O-N 3.07Å; E227-I229 VanDerWaalsContact C-N 3.35Å; E227-I229 PolarHBondContact O-N 3.5Å; I229-A232 PolarHBondContact O-N 2.93Å; I229-G233 PolarHBondContact O-N 3.02Å; I229-I247 HydrophobicContact CB-CD1 4.21Å; I229-I247 HydrophobicContact CB-CG1 4.08Å; I229-I247 HydrophobicContact CD1-CD1 3.67Å; I229-I247 HydrophobicContact CD1-CG1 4.26Å; I229-I247 HydrophobicContact CG2-CB 4.25Å; I229-I247 HydrophobicContact CG2-CD1 3.84Å; I229-I247 HydrophobicContact CG2-CG1 3.94Å
230	T	98.7	Very high	98.4	Very high	5 Å²	5	75.5 Å²	75.5	3%	0.031	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-48.5	174	-63.5	0	0	0	0	110.7	T226 E227 G233 V234 R240 A243 Q244 I247	T226-T230 WeakPolarHBondContact O-CB 3.43Å; T226-T230 PolarHBondContact O-N 3.24Å; T226-T230 PolarHBondContact O-OG1 3.46Å; E227-T230 WeakPolarHBondContact O-CB 3.32Å; E227-T230 PolarHBondContact O-N 3.34Å; E227-T230 VanDerWaalsContact O-N 3.09Å; T230-G233 PolarHBondContact O-N 2.9Å; T230-G233 VanDerWaalsContact O-N 3.14Å; T230-V234 WeakPolarHBondContact O-CG2 3.44Å; T230-V234 PolarHBondContact O-N 2.94Å; T230-R240 HydrophobicContact CG2-CG 4.16Å; T230-A243 HydrophobicContact CG2-CB 4.1Å; T230-Q244 HydrophobicContact CG2-CG 3.46Å; T230-Q244 VanDerWaalsContact CG2-CG 3.46Å; T230-I247 WeakPolarHBondContact OG1-CG2 3.44Å
231	D	98.7	Very high	98.5	Very high	67 Å²	67	76.7 Å²	76.7	36%	0.358	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-38.1	-179.5	-74.8	-18	0	0	0	112.1	E227 A228 G233 V234 L235 R240	E227-D231 PolarHBondContact O-N 2.87Å; A228-D231 PolarHBondContact O-N 3.31Å; D231-G233 VanDerWaalsContact C-N 3.31Å; D231-G233 PolarHBondContact O-N 3.15Å; D231-V234 PolarHBondContact O-N 3.41Å; D231-L235 WeakPolarHBondContact O-CB 3.16Å; D231-L235 PolarHBondContact O-N 2.92Å; D231-R240 IonicContact OD1-CZ 2.68Å; D231-R240 IonicContact OD1-NH1 3.73Å; D231-R240 PolarHBondContact OD1-NH1 3.34Å; D231-R240 IonicContact OD1-NH2 3.65Å; D231-R240 PolarHBondContact OD1-NH2 3.31Å
232	A	98.6	Very high	98.5	Very high	47 Å²	47	78.8 Å²	78.8	39%	0.388	44%	0.436	S	S	.	.	H	α-helix	trans	-60	-40.6	171.2	0	0	0	0	0	112.1	A228 I229 L235 L236	A228-A232 WeakPolarHBondContact O-CB 3.41Å; A228-A232 PolarHBondContact O-N 3.41Å; I229-A232 PolarHBondContact O-N 2.93Å; A232-L235 WeakPolarHBondContact O-CB 3.3Å; A232-L235 PolarHBondContact O-N 2.97Å; A232-L236 WeakPolarHBondContact O-CG 3.49Å; A232-L236 PolarHBondContact O-N 2.93Å; A232-L236 VanDerWaalsContact O-N 3.14Å
233	G	98.6	Very high	98.5	Very high	10 Å²	10	75.5 Å²	75.5	10%	0.103	42%	0.421	C	S	.	.	H	α-helix	trans	-61.3	-42.8	173.7	0	0	0	0	0	112.7	I229 T230 D231 L236 G237 L238	I229-G233 PolarHBondContact O-N 3.02Å; T230-G233 PolarHBondContact O-N 2.9Å; T230-G233 VanDerWaalsContact O-N 3.14Å; D231-G233 VanDerWaalsContact C-N 3.31Å; D231-G233 PolarHBondContact O-N 3.15Å; G233-L236 CarbonylContact O-C 3.6Å; G233-L236 PolarHBondContact O-N 3.4Å; G233-G237 PolarHBondContact O-N 2.95Å; G233-L238 VanDerWaalsContact O-CB 3.29Å; G233-L238 WeakPolarHBondContact O-CB 3.17Å; G233-L238 PolarHBondContact O-N 3.44Å
234	V	98.7	Very high	98.5	Very high	51 Å²	51	73.2 Å²	73.2	31%	0.309	42%	0.415	S	S	.	.	H	α-helix	trans	-65.8	-41.5	177	177	0	0	0	0	111.5	T230 D231 L236 G237 L238 R240	T230-V234 WeakPolarHBondContact O-CG2 3.44Å; T230-V234 PolarHBondContact O-N 2.94Å; D231-V234 PolarHBondContact O-N 3.41Å; V234-L236 PolarHBondContact O-N 2.87Å; V234-G237 PolarHBondContact O-N 3Å; V234-L238 WeakPolarHBondContact CA-O 3.39Å; V234-R240 HydrophobicContact CG2-CB 3.71Å; V234-R240 HydrophobicContact CG2-CG 4.21Å
235	L	98.6	Very high	98.5	Very high	153 Å²	153	74.8 Å²	74.8	80%	0.801	42%	0.418	S	S	*	.	H	α-helix	trans	-57.4	-34.3	174.8	-179.6	64.1	0	0	0	111.8	D231 A232 G237	D231-L235 WeakPolarHBondContact O-CB 3.16Å; D231-L235 PolarHBondContact O-N 2.92Å; A232-L235 WeakPolarHBondContact O-CB 3.3Å; A232-L235 PolarHBondContact O-N 2.97Å; L235-G237 VanDerWaalsContact C-N 3.3Å
236	L	98.5	Very high	98.5	Very high	151 Å²	151	76.4 Å²	76.4	79%	0.791	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	8.1	177	-63.3	172.5	0	0	0	113.7	A232 G233 V234	A232-L236 WeakPolarHBondContact O-CG 3.49Å; A232-L236 PolarHBondContact O-N 2.93Å; A232-L236 VanDerWaalsContact O-N 3.14Å; G233-L236 CarbonylContact O-C 3.6Å; G233-L236 PolarHBondContact O-N 3.4Å; V234-L236 PolarHBondContact O-N 2.87Å
237	G	98.6	Very high	98.5	Very high	65 Å²	65	76.1 Å²	76.1	67%	0.67	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	6.2	173.5	0	0	0	0	0	115.9	G233 V234 L235	G233-G237 PolarHBondContact O-N 2.95Å; V234-G237 PolarHBondContact O-N 3Å; L235-G237 VanDerWaalsContact C-N 3.3Å
238	L	98.3	Very high	98.5	Very high	76 Å²	76	74 Å²	74	40%	0.398	42%	0.42	S	S	.	.			trans	-72.7	135.5	172.1	-66.2	178	0	0	0	110.9	G233 V234 R240 A243 L246	G233-L238 VanDerWaalsContact O-CB 3.29Å; G233-L238 WeakPolarHBondContact O-CB 3.17Å; G233-L238 PolarHBondContact O-N 3.44Å; V234-L238 WeakPolarHBondContact CA-O 3.39Å; L238-R240 PolarHBondContact O-N 3.07Å; L238-A243 HydrophobicContact CB-CB 4.3Å; L238-L246 HydrophobicContact CD1-CD1 4.4Å
239	P	98.6	Very high	98.4	Very high	75 Å²	75	76.1 Å²	76.1	49%	0.487	42%	0.423	S	S	.	.			trans	-57.5	129.8	167	-25	34.7	0	0	0	110.8	P241 I242 A243	P239-P241 VanDerWaalsContact C-CD 3.46Å; P239-P241 VanDerWaalsContact C-N 3.34Å; P239-P241 VanDerWaalsContact O-N 3.17Å; P239-I242 HydrophobicContact CB-CD1 4.2Å; P239-I242 HydrophobicContact CB-CG1 4.3Å; P239-I242 HydrophobicContact CG-CD1 4Å; P239-I242 WeakPolarHBondContact O-CA 3.45Å; P239-I242 WeakPolarHBondContact O-CB 3.46Å; P239-I242 PolarHBondContact O-N 3.45Å; P239-A243 PolarHBondContact O-N 2.9Å; P239-A243 VanDerWaalsContact O-N 3.07Å
240	R	98.6	Very high	98.4	Very high	105 Å²	105	76 Å²	76	40%	0.396	43%	0.426	S	S	.	.	H	α-helix	trans	-48	-44.9	-177.5	-178.5	175.8	-69.1	-76.9	-2.8	114.1	T230 D231 V234 L238 I242 A243 Q244	T230-R240 HydrophobicContact CG2-CG 4.16Å; D231-R240 IonicContact OD1-CZ 2.68Å; D231-R240 IonicContact OD1-NH1 3.73Å; D231-R240 PolarHBondContact OD1-NH1 3.34Å; D231-R240 IonicContact OD1-NH2 3.65Å; D231-R240 PolarHBondContact OD1-NH2 3.31Å; V234-R240 HydrophobicContact CG2-CB 3.71Å; V234-R240 HydrophobicContact CG2-CG 4.21Å; L238-R240 PolarHBondContact O-N 3.07Å; R240-I242 PolarHBondContact O-N 3.49Å; R240-A243 PolarHBondContact O-N 3.12Å; R240-Q244 HydrophobicContact CG-CG 4.37Å; R240-Q244 WeakPolarHBondContact O-CG 3.39Å; R240-Q244 PolarHBondContact O-N 3.4Å
241	P	98.5	Very high	98.3	Very high	80 Å²	80	78.3 Å²	78.3	52%	0.519	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-27.2	178.1	-23.4	35.2	0	0	0	114.3	P239 K245	P239-P241 VanDerWaalsContact C-CD 3.46Å; P239-P241 VanDerWaalsContact C-N 3.34Å; P239-P241 VanDerWaalsContact O-N 3.17Å; P241-K245 VanDerWaalsContact O-CG 3.27Å; P241-K245 WeakPolarHBondContact O-CG 3.34Å; P241-K245 PolarHBondContact O-N 2.98Å
242	I	98.6	Very high	98.1	Very high	84 Å²	84	77 Å²	77	43%	0.431	43%	0.43	S	S	.	.	H	α-helix	trans	-76.4	-50	174.8	-63	179.4	0	0	0	109.2	P239 R240 Q244 K245 L246	P239-I242 HydrophobicContact CB-CD1 4.2Å; P239-I242 HydrophobicContact CB-CG1 4.3Å; P239-I242 HydrophobicContact CG-CD1 4Å; P239-I242 WeakPolarHBondContact O-CA 3.45Å; P239-I242 WeakPolarHBondContact O-CB 3.46Å; P239-I242 PolarHBondContact O-N 3.45Å; R240-I242 PolarHBondContact O-N 3.49Å; I242-Q244 VanDerWaalsContact C-N 3.3Å; I242-Q244 PolarHBondContact O-N 3.11Å; I242-K245 PolarHBondContact O-N 3.43Å; I242-K245 VanDerWaalsContact O-N 3.11Å; I242-L246 HydrophobicContact CG2-CD1 3.94Å; I242-L246 HydrophobicContact CG2-CG 4.26Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 3.2Å
243	A	98.5	Very high	97.9	Very high	6 Å²	6	76.3 Å²	76.3	5%	0.05	43%	0.428	C	S	.	.	H	α-helix	trans	-52.9	-48.2	178.2	0	0	0	0	0	111.6	T230 L238 P239 R240 K245 L246 I247	T230-A243 HydrophobicContact CG2-CB 4.1Å; L238-A243 HydrophobicContact CB-CB 4.3Å; P239-A243 PolarHBondContact O-N 2.9Å; P239-A243 VanDerWaalsContact O-N 3.07Å; R240-A243 PolarHBondContact O-N 3.12Å; A243-K245 PolarHBondContact O-N 3.09Å; A243-L246 PolarHBondContact O-N 2.87Å; A243-I247 WeakPolarHBondContact O-CG2 3.12Å; A243-I247 PolarHBondContact O-N 3.16Å
244	Q	98.2	Very high	97.8	Very high	92 Å²	92	78.9 Å²	78.9	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-59.1	-46.1	176.5	-72.8	179.4	-28.2	0	0	113	T230 R240 I242 L246 I247 V248	T230-Q244 HydrophobicContact CG2-CG 3.46Å; T230-Q244 VanDerWaalsContact CG2-CG 3.46Å; R240-Q244 HydrophobicContact CG-CG 4.37Å; R240-Q244 WeakPolarHBondContact O-CG 3.39Å; R240-Q244 PolarHBondContact O-N 3.4Å; I242-Q244 VanDerWaalsContact C-N 3.3Å; I242-Q244 PolarHBondContact O-N 3.11Å; Q244-L246 VanDerWaalsContact C-N 3.33Å; Q244-L246 PolarHBondContact O-N 3.37Å; Q244-I247 WeakPolarHBondContact O-CG2 3.3Å; Q244-V248 WeakPolarHBondContact O-CB 3.15Å; Q244-V248 WeakPolarHBondContact O-CG2 3.31Å; Q244-V248 PolarHBondContact O-N 2.98Å
245	K	98.2	Very high	97.5	Very high	150 Å²	150	78.2 Å²	78.2	65%	0.652	45%	0.445	S	S	*	.	H	α-helix	trans	-63	-40.3	179.1	-77.4	174.4	-174.7	175.3	0	111.9	P241 I242 A243 N249	P241-K245 VanDerWaalsContact O-CG 3.27Å; P241-K245 WeakPolarHBondContact O-CG 3.34Å; P241-K245 PolarHBondContact O-N 2.98Å; I242-K245 PolarHBondContact O-N 3.43Å; I242-K245 VanDerWaalsContact O-N 3.11Å; A243-K245 PolarHBondContact O-N 3.09Å; K245-N249 WeakPolarHBondContact O-CB 3.28Å; K245-N249 PolarHBondContact O-N 3.23Å
246	L	98.6	Very high	97.2	Very high	97 Å²	97	71.9 Å²	71.9	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-57.1	178	-68.4	174	0	0	0	110.3	L238 I242 A243 Q244 V248 N249 T250	L238-L246 HydrophobicContact CD1-CD1 4.4Å; I242-L246 HydrophobicContact CG2-CD1 3.94Å; I242-L246 HydrophobicContact CG2-CG 4.26Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 3.2Å; A243-L246 PolarHBondContact O-N 2.87Å; Q244-L246 VanDerWaalsContact C-N 3.33Å; Q244-L246 PolarHBondContact O-N 3.37Å; L246-V248 PolarHBondContact O-N 3.31Å; L246-N249 PolarHBondContact O-N 2.82Å; L246-T250 WeakPolarHBondContact O-CB 3.33Å; L246-T250 PolarHBondContact O-N 2.81Å; L246-T250 PolarHBondContact O-OG1 2.99Å
247	I	98.3	Very high	97	Very high	17 Å²	17	69.2 Å²	69.2	9%	0.087	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-40.1	-174.8	-174.4	54.9	0	0	0	113	T226 I229 T230 A243 Q244 N249 T250 I251	T226-I247 HydrophobicContact CG2-CG1 4.19Å; T226-I247 HydrophobicContact CG2-CG2 3.64Å; I229-I247 HydrophobicContact CB-CD1 4.21Å; I229-I247 HydrophobicContact CB-CG1 4.08Å; I229-I247 HydrophobicContact CD1-CD1 3.67Å; I229-I247 HydrophobicContact CD1-CG1 4.26Å; I229-I247 HydrophobicContact CG2-CB 4.25Å; I229-I247 HydrophobicContact CG2-CD1 3.84Å; I229-I247 HydrophobicContact CG2-CG1 3.94Å; T230-I247 WeakPolarHBondContact OG1-CG2 3.44Å; A243-I247 WeakPolarHBondContact O-CG2 3.12Å; A243-I247 PolarHBondContact O-N 3.16Å; Q244-I247 WeakPolarHBondContact O-CG2 3.3Å; I247-N249 VanDerWaalsContact C-N 3.34Å; I247-N249 PolarHBondContact O-N 3.42Å; I247-T250 PolarHBondContact O-N 2.73Å; I247-I251 HydrophobicContact CD1-CD1 4.11Å; I247-I251 HydrophobicContact CD1-CG1 4.05Å; I247-I251 HydrophobicContact CG1-CD1 3.95Å; I247-I251 HydrophobicContact CG1-CG1 4.37Å; I247-I251 WeakPolarHBondContact O-CG1 3.43Å; I247-I251 PolarHBondContact O-N 2.79Å
248	V	97.5	Very high	96.8	Very high	79 Å²	79	70.2 Å²	70.2	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-62.3	-42.9	179.1	170.6	0	0	0	0	110.9	T226 Q244 L246 L252	T226-V248 HydrophobicContact CG2-CG2 4.04Å; Q244-V248 WeakPolarHBondContact O-CB 3.15Å; Q244-V248 WeakPolarHBondContact O-CG2 3.31Å; Q244-V248 PolarHBondContact O-N 2.98Å; L246-V248 PolarHBondContact O-N 3.31Å; V248-L252 PolarHBondContact O-N 2.77Å; V248-L252 VanDerWaalsContact O-N 3.12Å
249	N	97	Very high	96.4	Very high	106 Å²	106	71.3 Å²	71.3	57%	0.567	39%	0.388	S	S	*	.	H	α-helix	trans	-71.9	-33.4	176.3	-82	-3.7	0	0	0	112.6	K245 L246 I247 L252 G253	K245-N249 WeakPolarHBondContact O-CB 3.28Å; K245-N249 PolarHBondContact O-N 3.23Å; L246-N249 PolarHBondContact O-N 2.82Å; I247-N249 VanDerWaalsContact C-N 3.34Å; I247-N249 PolarHBondContact O-N 3.42Å; N249-L252 PolarHBondContact O-N 3.36Å; N249-G253 PolarHBondContact O-N 2.78Å
250	T	98.2	Very high	96	Very high	81 Å²	81	74 Å²	74	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-62.5	-47.1	173.7	-64.1	0	0	0	0	110.9	L246 I247 L252 G253 S254	L246-T250 WeakPolarHBondContact O-CB 3.33Å; L246-T250 PolarHBondContact O-N 2.81Å; L246-T250 PolarHBondContact O-OG1 2.99Å; I247-T250 PolarHBondContact O-N 2.73Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 3.33Å; T250-G253 PolarHBondContact O-N 3.2Å; T250-S254 WeakPolarHBondContact O-CB 3.32Å; T250-S254 PolarHBondContact O-N 2.72Å; T250-S254 PolarHBondContact O-OG 3.22Å; T250-S254 VanDerWaalsContact O-OG 3.06Å
251	I	96.9	Very high	95.7	Very high	52 Å²	52	71.9 Å²	71.9	27%	0.267	39%	0.391	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.3	-70.1	168.6	0	0	0	110.8	I222 T226 I247 S254 A255	I222-I251 HydrophobicContact CG2-CD1 4.32Å; I222-I251 HydrophobicContact CG2-CG2 4.34Å; T226-I251 HydrophobicContact CG2-CD1 4.39Å; T226-I251 WeakPolarHBondContact OG1-CD1 3.23Å; I247-I251 HydrophobicContact CD1-CD1 4.11Å; I247-I251 HydrophobicContact CD1-CG1 4.05Å; I247-I251 HydrophobicContact CG1-CD1 3.95Å; I247-I251 HydrophobicContact CG1-CG1 4.37Å; I247-I251 WeakPolarHBondContact O-CG1 3.43Å; I247-I251 PolarHBondContact O-N 2.79Å; I251-S254 PolarHBondContact O-N 2.99Å; I251-A255 WeakPolarHBondContact O-CB 3.13Å; I251-A255 PolarHBondContact O-N 3.33Å
252	L	95.1	Very high	95.3	Very high	39 Å²	39	71.4 Å²	71.4	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-58.4	-49.6	175.9	177.1	61.6	0	0	0	111.4	L14 F15 V248 N249 T250 S254 A255 V256	L14-L252 HydrophobicContact CD2-CD2 4.5Å; F15-L252 HydrophobicContact CE1-CD1 3.95Å; F15-L252 HydrophobicContact CE1-CD2 4.4Å; V248-L252 PolarHBondContact O-N 2.77Å; V248-L252 VanDerWaalsContact O-N 3.12Å; N249-L252 PolarHBondContact O-N 3.36Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 3.33Å; L252-S254 PolarHBondContact O-N 3.42Å; L252-A255 PolarHBondContact O-N 3.23Å; L252-V256 HydrophobicContact CD1-CG2 4.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.37Å; L252-V256 PolarHBondContact O-N 3.39Å
253	G	94.6	Very high	95.1	Very high	34 Å²	34	71.2 Å²	71.2	35%	0.351	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-43.6	179	0	0	0	0	0	112.7	N249 T250 V256 M257	N249-G253 PolarHBondContact O-N 2.78Å; T250-G253 PolarHBondContact O-N 3.2Å; G253-V256 PolarHBondContact O-N 3.05Å; G253-M257 WeakPolarHBondContact O-CG 3.45Å; G253-M257 PolarHBondContact O-N 2.95Å
254	S	95.6	Very high	94.9	Very high	63 Å²	63	74.9 Å²	74.9	44%	0.441	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-43.2	176.1	-63.2	0	0	0	0	112.2	T250 I251 L252 V256 M257 M258	T250-S254 WeakPolarHBondContact O-CB 3.32Å; T250-S254 PolarHBondContact O-N 2.72Å; T250-S254 PolarHBondContact O-OG 3.22Å; T250-S254 VanDerWaalsContact O-OG 3.06Å; I251-S254 PolarHBondContact O-N 2.99Å; L252-S254 PolarHBondContact O-N 3.42Å; S254-V256 VanDerWaalsContact C-N 3.31Å; S254-V256 PolarHBondContact O-N 3.47Å; S254-M257 PolarHBondContact O-N 3.06Å; S254-M258 WeakPolarHBondContact O-CG 3.39Å; S254-M258 PolarHBondContact O-N 2.83Å; S254-M258 VanDerWaalsContact O-N 3.07Å
255	A	93.5	Very high	94.7	Very high	38 Å²	38	75 Å²	75	31%	0.314	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-41.1	175.4	0	0	0	0	0	112.3	I251 L252 M258 Q259	I251-A255 WeakPolarHBondContact O-CB 3.13Å; I251-A255 PolarHBondContact O-N 3.33Å; L252-A255 PolarHBondContact O-N 3.23Å; A255-M258 HydrophobicContact CB-CE 4.38Å; A255-M258 PolarHBondContact O-N 2.73Å; A255-Q259 PolarHBondContact O-N 3.34Å; A255-Q259 VanDerWaalsContact O-N 3.1Å
256	V	92.4	Very high	94.7	Very high	20 Å²	20	71.4 Å²	71.4	12%	0.121	41%	0.413	C	S	.	.	H	α-helix	trans	-68.3	-39.1	178.2	173.1	0	0	0	0	111.6	V18 L252 G253 S254 M258 Q259 K260	V18-V256 HydrophobicContact CG1-CB 4.14Å; V18-V256 HydrophobicContact CG1-CG1 3.87Å; V18-V256 HydrophobicContact CG1-CG2 3.19Å; L252-V256 HydrophobicContact CD1-CG2 4.25Å; L252-V256 WeakPolarHBondContact O-CG2 3.37Å; L252-V256 PolarHBondContact O-N 3.39Å; G253-V256 PolarHBondContact O-N 3.05Å; S254-V256 VanDerWaalsContact C-N 3.31Å; S254-V256 PolarHBondContact O-N 3.47Å; V256-M258 VanDerWaalsContact C-N 3.35Å; V256-Q259 PolarHBondContact O-N 2.84Å; V256-K260 HydrophobicContact CG1-CD 3.87Å; V256-K260 HydrophobicContact CG1-CG 4.1Å; V256-K260 WeakPolarHBondContact O-CB 3.19Å; V256-K260 PolarHBondContact O-N 2.69Å
257	M	94	Very high	94.6	Very high	95 Å²	95	70.8 Å²	70.8	47%	0.468	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-45	174.2	-75.4	-65	-70.9	0	0	111.4	G253 S254 Q259 T261 L268	G253-M257 WeakPolarHBondContact O-CG 3.45Å; G253-M257 PolarHBondContact O-N 2.95Å; S254-M257 PolarHBondContact O-N 3.06Å; M257-Q259 VanDerWaalsContact C-N 3.33Å; M257-Q259 PolarHBondContact O-N 2.86Å; M257-T261 HydrophobicContact CE-CG2 3.88Å; M257-T261 WeakPolarHBondContact O-CB 3.39Å; M257-T261 WeakPolarHBondContact O-CG2 3.36Å; M257-T261 PolarHBondContact O-N 3.33Å; M257-T261 VanDerWaalsContact O-N 3.08Å; M257-T261 PolarHBondContact O-OG1 3.26Å; M257-T261 HydrophobicContact SD-CG2 4.23Å; M257-L268 HydrophobicContact CB-CD2 4.36Å; M257-L268 HydrophobicContact CE-CD2 4.15Å
258	M	94	Very high	94.6	Very high	86 Å²	86	71.1 Å²	71.1	42%	0.424	41%	0.41	S	S	.	.	H	α-helix	trans	-58.7	-43.5	175.3	-70	-175.5	-71.6	0	0	111.8	S254 A255 V256 T265 L268	S254-M258 WeakPolarHBondContact O-CG 3.39Å; S254-M258 PolarHBondContact O-N 2.83Å; S254-M258 VanDerWaalsContact O-N 3.07Å; A255-M258 HydrophobicContact CB-CE 4.38Å; A255-M258 PolarHBondContact O-N 2.73Å; V256-M258 VanDerWaalsContact C-N 3.35Å; M258-T265 HydrophobicContact SD-CG2 3.73Å; M258-L268 HydrophobicContact CB-CD1 4.28Å; M258-L268 HydrophobicContact CG-CD1 3.55Å
259	Q	89.6	Confident	94.6	Very high	99 Å²	99	70.9 Å²	70.9	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-72.7	-43.7	-179.6	-72.4	-177.3	-11.8	0	0	113.9	A255 V256 M257	A255-Q259 PolarHBondContact O-N 3.34Å; A255-Q259 VanDerWaalsContact O-N 3.1Å; V256-Q259 PolarHBondContact O-N 2.84Å; M257-Q259 VanDerWaalsContact C-N 3.33Å; M257-Q259 PolarHBondContact O-N 2.86Å
260	K	90	Very high	94.5	Very high	132 Å²	132	69.9 Å²	69.9	57%	0.574	40%	0.397	S	S	*	.	H	α-helix	trans	-83	-30.5	-171	-72.2	-164.9	175	-167.1	0	114	V18 V256	V18-K260 WeakPolarHBondContact O-CE 3.35Å; V256-K260 HydrophobicContact CG1-CD 3.87Å; V256-K260 HydrophobicContact CG1-CG 4.1Å; V256-K260 WeakPolarHBondContact O-CB 3.19Å; V256-K260 PolarHBondContact O-N 2.69Å
261	T	93.4	Very high	94.5	Very high	59 Å²	59	70.6 Å²	70.6	36%	0.362	40%	0.398	S	S	.	.	H	α-helix	trans	-89.6	-22.8	-176	66.2	0	0	0	0	112.8	M257 K263	M257-T261 HydrophobicContact CE-CG2 3.88Å; M257-T261 WeakPolarHBondContact O-CB 3.39Å; M257-T261 WeakPolarHBondContact O-CG2 3.36Å; M257-T261 PolarHBondContact O-N 3.33Å; M257-T261 VanDerWaalsContact O-N 3.08Å; M257-T261 PolarHBondContact O-OG1 3.26Å; M257-T261 HydrophobicContact SD-CG2 4.23Å; T261-K263 PolarHBondContact O-N 2.87Å; T261-K263 VanDerWaalsContact O-N 3.09Å; T261-K263 PolarHBondContact OG1-N 2.82Å
262	G	89.5	Confident	94.5	Very high	70 Å²	70	72.4 Å²	72.4	72%	0.722	41%	0.411	S	S	*	.			trans	66.5	0.2	-171.9	0	0	0	0	0	114.3
263	K	94.2	Very high	94.5	Very high	81 Å²	81	71.8 Å²	71.8	35%	0.352	41%	0.41	S	S	.	.			trans	-65.1	143.9	175.1	-69.8	-171.4	177.7	-164.6	0	110.1	T261 E267 L268 D271	T261-K263 PolarHBondContact O-N 2.87Å; T261-K263 VanDerWaalsContact O-N 3.09Å; T261-K263 PolarHBondContact OG1-N 2.82Å; K263-E267 HydrophobicContact CB-CB 4.25Å; K263-E267 HydrophobicContact CD-CB 4.36Å; K263-L268 HydrophobicContact CB-CD1 4.35Å; K263-L268 HydrophobicContact CB-CD2 4.13Å; K263-L268 HydrophobicContact CB-CG 3.88Å; K263-L268 HydrophobicContact CD-CD2 4.03Å; K263-L268 HydrophobicContact CD-CG 4.48Å; K263-D271 IonicContact NZ-OD1 3.65Å; K263-D271 IonicContact NZ-OD2 3.33Å; K263-D271 PolarHBondContact NZ-OD2 3.13Å
264	N	93.9	Very high	94.5	Very high	83 Å²	83	73.5 Å²	73.5	44%	0.444	42%	0.416	S	S	.	.			trans	-73	164.1	173.3	72.2	60.5	0	0	0	111	T266 E267 L268	N264-T266 PolarHBondContact O-N 3.03Å; N264-T266 WeakPolarHBondContact OD1-CA 3.32Å; N264-T266 VanDerWaalsContact OD1-CB 3.26Å; N264-T266 WeakPolarHBondContact OD1-CB 3.49Å; N264-T266 PolarHBondContact OD1-N 2.95Å; N264-E267 PolarHBondContact N-OE2 3.01Å; N264-E267 PolarHBondContact ND2-OE2 3.11Å; N264-E267 PolarHBondContact O-N 3.13Å; N264-E267 PolarHBondContact OD1-N 3.47Å; N264-L268 PolarHBondContact O-N 3.35Å; N264-L268 VanDerWaalsContact O-N 3.16Å
265	T	95.4	Very high	94.5	Very high	93 Å²	93	77 Å²	77	57%	0.571	44%	0.437	S	S	*	.	H	α-helix	trans	-65.9	-25.1	-175.7	51.9	0	0	0	0	113.6	M258 K269	M258-T265 HydrophobicContact SD-CG2 3.73Å; T265-K269 WeakPolarHBondContact O-CB 3.48Å; T265-K269 PolarHBondContact O-N 3.34Å
266	T	96.8	Very high	94.6	Very high	76 Å²	76	79 Å²	79	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-69.7	-44.6	175.9	-60.7	0	0	0	0	110.7	N264 K269 N270	N264-T266 PolarHBondContact O-N 3.03Å; N264-T266 WeakPolarHBondContact OD1-CA 3.32Å; N264-T266 VanDerWaalsContact OD1-CB 3.26Å; N264-T266 WeakPolarHBondContact OD1-CB 3.49Å; N264-T266 PolarHBondContact OD1-N 2.95Å; T266-K269 PolarHBondContact O-N 3.27Å; T266-N270 WeakPolarHBondContact O-CB 3.41Å; T266-N270 PolarHBondContact O-N 3.31Å; T266-N270 PolarHBondContact O-ND2 3.12Å; T266-N270 PolarHBondContact O-OD1 3.34Å
267	E	97.2	Very high	94.8	Very high	84 Å²	84	78.7 Å²	78.7	39%	0.393	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-51.3	175.7	-66	172.9	100.2	0	0	111.3	K263 N264 K269 N270 D271	K263-E267 HydrophobicContact CB-CB 4.25Å; K263-E267 HydrophobicContact CD-CB 4.36Å; N264-E267 PolarHBondContact N-OE2 3.01Å; N264-E267 PolarHBondContact ND2-OE2 3.11Å; N264-E267 PolarHBondContact O-N 3.13Å; N264-E267 PolarHBondContact OD1-N 3.47Å; E267-K269 VanDerWaalsContact C-N 3.3Å; E267-K269 PolarHBondContact O-N 3.41Å; E267-N270 CarbonylContact O-C 3.48Å; E267-N270 WeakPolarHBondContact O-CB 2.99Å; E267-N270 PolarHBondContact O-N 3.16Å; E267-D271 PolarHBondContact O-N 2.86Å
268	L	97.4	Very high	95	Very high	24 Å²	24	80.1 Å²	80.1	13%	0.126	48%	0.477	C	S	.	.	H	α-helix	trans	-61.8	-37	-179.9	-70.9	169.8	0	0	0	112.8	M257 M258 K263 N264	M257-L268 HydrophobicContact CB-CD2 4.36Å; M257-L268 HydrophobicContact CE-CD2 4.15Å; M258-L268 HydrophobicContact CB-CD1 4.28Å; M258-L268 HydrophobicContact CG-CD1 3.55Å; K263-L268 HydrophobicContact CB-CD1 4.35Å; K263-L268 HydrophobicContact CB-CD2 4.13Å; K263-L268 HydrophobicContact CB-CG 3.88Å; K263-L268 HydrophobicContact CD-CD2 4.03Å; K263-L268 HydrophobicContact CD-CG 4.48Å; N264-L268 PolarHBondContact O-N 3.35Å; N264-L268 VanDerWaalsContact O-N 3.16Å
269	K	97.1	Very high	95.1	Very high	73 Å²	73	78.8 Å²	78.8	32%	0.317	47%	0.474	S	S	.	.	H	α-helix	trans	-65.3	-41.5	173	-179	-150.7	70.1	-177.8	0	111.1	T265 T266 E267 V272 C273	T265-K269 WeakPolarHBondContact O-CB 3.48Å; T265-K269 PolarHBondContact O-N 3.34Å; T266-K269 PolarHBondContact O-N 3.27Å; E267-K269 VanDerWaalsContact C-N 3.3Å; E267-K269 PolarHBondContact O-N 3.41Å; K269-V272 WeakPolarHBondContact O-CG2 3.38Å; K269-V272 PolarHBondContact O-N 3.2Å; K269-C273 PolarHBondContact O-N 2.81Å; K269-C273 PolarHBondContact O-SG 3.18Å
270	N	96.8	Very high	95.5	Very high	85 Å²	85	77.4 Å²	77.4	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-67.9	-38.2	178.4	-68	-8.6	0	0	0	111.6	T266 E267 V272 C273	T266-N270 WeakPolarHBondContact O-CB 3.41Å; T266-N270 PolarHBondContact O-N 3.31Å; T266-N270 PolarHBondContact O-ND2 3.12Å; T266-N270 PolarHBondContact O-OD1 3.34Å; E267-N270 CarbonylContact O-C 3.48Å; E267-N270 WeakPolarHBondContact O-CB 2.99Å; E267-N270 PolarHBondContact O-N 3.16Å; N270-V272 PolarHBondContact O-N 2.86Å; N270-V272 VanDerWaalsContact O-N 3.15Å; N270-C273 PolarHBondContact O-N 3.25Å
271	D	97	Very high	95.9	Very high	97 Å²	97	77.1 Å²	77.1	52%	0.519	47%	0.469	S	S	.	.	H	α-helix	trans	-57.2	-29.1	177.3	-73.8	-13	0	0	0	112.7	K263 E267	K263-D271 IonicContact NZ-OD1 3.65Å; K263-D271 IonicContact NZ-OD2 3.33Å; K263-D271 PolarHBondContact NZ-OD2 3.13Å; E267-D271 PolarHBondContact O-N 2.86Å
272	V	96.5	Very high	96.1	Very high	90 Å²	90	76.1 Å²	76.1	55%	0.545	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.8	177.9	-59.1	0	0	0	0	114.2	K269 N270 T279	K269-V272 WeakPolarHBondContact O-CG2 3.38Å; K269-V272 PolarHBondContact O-N 3.2Å; N270-V272 PolarHBondContact O-N 2.86Å; N270-V272 VanDerWaalsContact O-N 3.15Å; V272-T279 HydrophobicContact CG2-CG2 4.13Å; V272-T279 VanDerWaalsContact O-CB 3.29Å; V272-T279 WeakPolarHBondContact O-CB 3.28Å; V272-T279 WeakPolarHBondContact O-CG2 3.48Å; V272-T279 PolarHBondContact O-OG1 3.37Å
273	C	95.5	Very high	96.5	Very high	26 Å²	26	74 Å²	74	18%	0.176	44%	0.444	C	S	.	.			trans	-105.3	97.2	178.7	-67.5	0	0	0	0	110.7	K269 N270	K269-C273 PolarHBondContact O-N 2.81Å; K269-C273 PolarHBondContact O-SG 3.18Å; N270-C273 PolarHBondContact O-N 3.25Å
274	S	94.5	Very high	96.6	Very high	69 Å²	69	77.7 Å²	77.7	48%	0.483	46%	0.457	S	S	.	.			trans	-79	152.1	171.2	55.1	0	0	0	0	112.2	G276 G277	S274-G276 PolarHBondContact O-N 3.27Å; S274-G277 PolarHBondContact O-N 3.06Å
275	P	95.1	Very high	96.9	Very high	136 Å²	136	76.7 Å²	76.7	88%	0.883	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	124.6	172.5	-24.6	34	0	0	0	111.4	G277	P275-G277 PolarHBondContact O-N 3Å
276	G	95.4	Very high	97	Very high	80 Å²	80	76.7 Å²	76.7	83%	0.825	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	6.2	-178.2	0	0	0	0	0	115.4	S274	S274-G276 PolarHBondContact O-N 3.27Å
277	G	97.5	Very high	97.1	Very high	14 Å²	14	76.3 Å²	76.3	14%	0.144	45%	0.449	C	S	.	.			trans	-72.1	172	-177.9	0	0	0	0	0	114.5	S274 P275 I280	S274-G277 PolarHBondContact O-N 3.06Å; P275-G277 PolarHBondContact O-N 3Å; G277-I280 WeakPolarHBondContact O-CG2 3.28Å
278	T	97.4	Very high	97.1	Very high	126 Å²	126	80.1 Å²	80.1	77%	0.773	46%	0.464	S	S	*	.	H	α-helix	trans	-71.2	-35.2	178.5	53.3	0	0	0	0	112.5	I280 Q281 G282	T278-I280 VanDerWaalsContact C-N 3.34Å; T278-I280 PolarHBondContact O-N 2.71Å; T278-Q281 WeakPolarHBondContact O-CB 3.47Å; T278-Q281 PolarHBondContact O-N 3.09Å; T278-G282 PolarHBondContact O-N 2.84Å
279	T	97.3	Very high	97.1	Very high	58 Å²	58	81.4 Å²	81.4	36%	0.356	48%	0.483	S	S	.	.	H	α-helix	trans	-59.4	-42.1	-179	-47.6	0	0	0	0	112.5	V272 Q281 G282 V283	V272-T279 HydrophobicContact CG2-CG2 4.13Å; V272-T279 VanDerWaalsContact O-CB 3.29Å; V272-T279 WeakPolarHBondContact O-CB 3.28Å; V272-T279 WeakPolarHBondContact O-CG2 3.48Å; V272-T279 PolarHBondContact O-OG1 3.37Å; T279-Q281 VanDerWaalsContact C-N 3.28Å; T279-Q281 PolarHBondContact O-N 3.26Å; T279-G282 WeakPolarHBondContact O-CA 3.34Å; T279-G282 PolarHBondContact O-N 3.31Å; T279-G282 VanDerWaalsContact O-N 3.08Å; T279-V283 PolarHBondContact O-N 3.48Å
280	I	97.6	Very high	97.2	Very high	69 Å²	69	83 Å²	83	35%	0.354	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-29	-177.4	-170	63.2	0	0	0	112	G277 T278 V283 Y284	G277-I280 WeakPolarHBondContact O-CG2 3.28Å; T278-I280 VanDerWaalsContact C-N 3.34Å; T278-I280 PolarHBondContact O-N 2.71Å; I280-V283 HydrophobicContact CD1-CB 4.25Å; I280-V283 HydrophobicContact CD1-CG1 4.38Å; I280-V283 PolarHBondContact O-N 3.05Å; I280-Y284 WeakPolarHBondContact O-CB 3.08Å; I280-Y284 PolarHBondContact O-N 3.31Å
281	Q	97.9	Very high	97.3	Very high	126 Å²	126	82.1 Å²	82.1	59%	0.589	49%	0.49	S	S	*	.	H	α-helix	trans	-65.1	-40.7	171.2	-62.3	-60.4	-36.1	0	0	111.4	T278 T279 Y284 A285	T278-Q281 WeakPolarHBondContact O-CB 3.47Å; T278-Q281 PolarHBondContact O-N 3.09Å; T279-Q281 VanDerWaalsContact C-N 3.28Å; T279-Q281 PolarHBondContact O-N 3.26Å; Q281-Y284 PolarHBondContact O-N 2.7Å; Q281-A285 PolarHBondContact O-N 2.9Å
282	G	97.7	Very high	97.3	Very high	38 Å²	38	84.1 Å²	84.1	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-47.2	172.5	0	0	0	0	0	112.1	T278 T279 Y284 A285 L286	T278-G282 PolarHBondContact O-N 2.84Å; T279-G282 WeakPolarHBondContact O-CA 3.34Å; T279-G282 PolarHBondContact O-N 3.31Å; T279-G282 VanDerWaalsContact O-N 3.08Å; G282-Y284 VanDerWaalsContact C-N 3.34Å; G282-Y284 PolarHBondContact O-N 2.87Å; G282-A285 PolarHBondContact O-N 2.97Å; G282-L286 WeakPolarHBondContact O-CG 3.3Å; G282-L286 PolarHBondContact O-N 2.89Å
283	V	97.8	Very high	97.4	Very high	27 Å²	27	82.7 Å²	82.7	16%	0.164	49%	0.488	C	S	.	.	H	α-helix	trans	-58.4	-46.3	175.5	172.8	0	0	0	0	110.9	T279 I280 A285 L286 E287	T279-V283 PolarHBondContact O-N 3.48Å; I280-V283 HydrophobicContact CD1-CB 4.25Å; I280-V283 HydrophobicContact CD1-CG1 4.38Å; I280-V283 PolarHBondContact O-N 3.05Å; V283-A285 VanDerWaalsContact C-N 3.33Å; V283-A285 PolarHBondContact O-N 3.5Å; V283-L286 WeakPolarHBondContact O-CB 3.36Å; V283-L286 PolarHBondContact O-N 3.3Å; V283-L286 VanDerWaalsContact O-N 3.13Å; V283-E287 WeakPolarHBondContact O-CG 3.41Å; V283-E287 PolarHBondContact O-N 2.86Å
284	Y	97.9	Very high	97.5	Very high	157 Å²	157	85.5 Å²	85.5	62%	0.616	50%	0.504	S	S	*	.	H	α-helix	trans	-60.1	-40.9	177.6	179.8	-115.7	0	0	0	112.6	I280 Q281 G282 L286 E287 K288	I280-Y284 WeakPolarHBondContact O-CB 3.08Å; I280-Y284 PolarHBondContact O-N 3.31Å; Q281-Y284 PolarHBondContact O-N 2.7Å; G282-Y284 VanDerWaalsContact C-N 3.34Å; G282-Y284 PolarHBondContact O-N 2.87Å; Y284-L286 VanDerWaalsContact C-N 3.34Å; Y284-L286 PolarHBondContact O-N 2.88Å; Y284-E287 PolarHBondContact O-N 3.12Å; Y284-K288 WeakPolarHBondContact O-CB 2.97Å; Y284-K288 PolarHBondContact O-N 2.86Å
285	A	98.3	Very high	97.7	Very high	62 Å²	62	85.5 Å²	85.5	51%	0.512	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-38.4	174.7	0	0	0	0	0	112.5	Q281 G282 V283 K288 G289	Q281-A285 PolarHBondContact O-N 2.9Å; G282-A285 PolarHBondContact O-N 2.97Å; V283-A285 VanDerWaalsContact C-N 3.33Å; V283-A285 PolarHBondContact O-N 3.5Å; A285-K288 PolarHBondContact O-N 3.4Å; A285-G289 PolarHBondContact O-N 2.62Å
286	L	98.3	Very high	97.9	Very high	94 Å²	94	84.6 Å²	84.6	49%	0.492	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-39	175.2	-65.4	174.8	0	0	0	112.3	G282 V283 Y284 G289 N290 L291	G282-L286 WeakPolarHBondContact O-CG 3.3Å; G282-L286 PolarHBondContact O-N 2.89Å; V283-L286 WeakPolarHBondContact O-CB 3.36Å; V283-L286 PolarHBondContact O-N 3.3Å; V283-L286 VanDerWaalsContact O-N 3.13Å; Y284-L286 VanDerWaalsContact C-N 3.34Å; Y284-L286 PolarHBondContact O-N 2.88Å; L286-G289 CarbonylContact O-C 3.55Å; L286-G289 PolarHBondContact O-N 3.18Å; L286-N290 PolarHBondContact O-N 3.22Å; L286-L291 HydrophobicContact CB-CB 4.29Å; L286-L291 HydrophobicContact CB-CD2 4.06Å; L286-L291 HydrophobicContact CD1-CD2 4.04Å; L286-L291 HydrophobicContact CD2-CD2 4.19Å; L286-L291 HydrophobicContact CG-CD2 4.31Å; L286-L291 WeakPolarHBondContact O-CB 3.23Å; L286-L291 PolarHBondContact O-N 3.06Å; L286-L291 VanDerWaalsContact O-N 3.13Å
287	E	98.2	Very high	98	Very high	67 Å²	67	84.5 Å²	84.5	31%	0.313	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-45.1	173.9	-63.2	-66.6	175	0	0	111.1	V283 Y284 G289 N290 R292	V283-E287 WeakPolarHBondContact O-CG 3.41Å; V283-E287 PolarHBondContact O-N 2.86Å; Y284-E287 PolarHBondContact O-N 3.12Å; E287-G289 PolarHBondContact O-N 3.38Å; E287-N290 WeakPolarHBondContact O-CA 3.38Å; E287-N290 PolarHBondContact O-N 3Å; E287-R292 IonicContact OE1-CZ 2.79Å; E287-R292 IonicContact OE1-NE 3.67Å; E287-R292 IonicContact OE1-NH1 2.72Å; E287-R292 PolarHBondContact OE1-NH1 3.09Å; E287-R292 IonicContact OE1-NH2 3.79Å; E287-R292 PolarHBondContact OE1-NH2 3.03Å; E287-R292 IonicContact OE2-CZ 2.76Å; E287-R292 IonicContact OE2-NH1 3Å; E287-R292 PolarHBondContact OE2-NH1 3.5Å
288	K	98.4	Very high	98.1	Very high	165 Å²	165	85.1 Å²	85.1	72%	0.717	47%	0.469	S	S	*	.	H	α-helix	trans	-58.7	-32	175.1	-172.2	179.3	179	-177.8	0	112.1	Y284 A285 N290	Y284-K288 WeakPolarHBondContact O-CB 2.97Å; Y284-K288 PolarHBondContact O-N 2.86Å; A285-K288 PolarHBondContact O-N 3.4Å; K288-N290 VanDerWaalsContact C-N 3.26Å; K288-N290 PolarHBondContact O-N 3.34Å
289	G	98.1	Very high	98.1	Very high	51 Å²	51	81.1 Å²	81.1	53%	0.526	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.3	173.3	0	0	0	0	0	115.2	A285 L286 E287 L291	A285-G289 PolarHBondContact O-N 2.62Å; L286-G289 CarbonylContact O-C 3.55Å; L286-G289 PolarHBondContact O-N 3.18Å; E287-G289 PolarHBondContact O-N 3.38Å; G289-L291 VanDerWaalsContact C-N 3.27Å; G289-L291 PolarHBondContact O-N 2.82Å
290	N	98.1	Very high	98.1	Very high	107 Å²	107	84 Å²	84	57%	0.572	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	33.3	-178.8	-61.3	-55.3	0	0	0	114.3	L286 E287 K288 R292 A293 T294	L286-N290 PolarHBondContact O-N 3.22Å; E287-N290 WeakPolarHBondContact O-CA 3.38Å; E287-N290 PolarHBondContact O-N 3Å; K288-N290 VanDerWaalsContact C-N 3.26Å; K288-N290 PolarHBondContact O-N 3.34Å; N290-R292 VanDerWaalsContact C-N 3.28Å; N290-R292 PolarHBondContact O-N 3.18Å; N290-R292 VanDerWaalsContact O-N 3.13Å; N290-A293 HydrophobicContact CB-CB 4.37Å; N290-A293 PolarHBondContact O-N 3.32Å; N290-A293 VanDerWaalsContact O-N 3.09Å; N290-T294 PolarHBondContact O-N 3.2Å; N290-T294 PolarHBondContact O-OG1 3.45Å
291	L	98.2	Very high	98.1	Very high	65 Å²	65	87 Å²	87	34%	0.34	46%	0.464	S	S	.	.	H	α-helix	trans	-50.4	-45.6	-173.7	178.6	66.5	0	0	0	113	L286 G289 T294 L295	L286-L291 HydrophobicContact CB-CB 4.29Å; L286-L291 HydrophobicContact CB-CD2 4.06Å; L286-L291 HydrophobicContact CD1-CD2 4.04Å; L286-L291 HydrophobicContact CD2-CD2 4.19Å; L286-L291 HydrophobicContact CG-CD2 4.31Å; L286-L291 WeakPolarHBondContact O-CB 3.23Å; L286-L291 PolarHBondContact O-N 3.06Å; L286-L291 VanDerWaalsContact O-N 3.13Å; G289-L291 VanDerWaalsContact C-N 3.27Å; G289-L291 PolarHBondContact O-N 2.82Å; L291-T294 PolarHBondContact O-N 2.84Å; L291-L295 HydrophobicContact CD1-CD1 3.98Å; L291-L295 HydrophobicContact CD1-CG 4.17Å; L291-L295 HydrophobicContact CG-CD1 4.03Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 2.74Å
292	R	97.5	Very high	98	Very high	140 Å²	140	82.6 Å²	82.6	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-61	-49.4	-179.6	-69	-167.2	-177.9	103.3	16.8	112.1	E287 N290 T294 L295 M296	E287-R292 IonicContact OE1-CZ 2.79Å; E287-R292 IonicContact OE1-NE 3.67Å; E287-R292 IonicContact OE1-NH1 2.72Å; E287-R292 PolarHBondContact OE1-NH1 3.09Å; E287-R292 IonicContact OE1-NH2 3.79Å; E287-R292 PolarHBondContact OE1-NH2 3.03Å; E287-R292 IonicContact OE2-CZ 2.76Å; E287-R292 IonicContact OE2-NH1 3Å; E287-R292 PolarHBondContact OE2-NH1 3.5Å; N290-R292 VanDerWaalsContact C-N 3.28Å; N290-R292 PolarHBondContact O-N 3.18Å; N290-R292 VanDerWaalsContact O-N 3.13Å; R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 2.61Å; R292-L295 PolarHBondContact O-N 3.22Å; R292-M296 WeakPolarHBondContact O-CB 3.41Å; R292-M296 VanDerWaalsContact O-CG 3.25Å; R292-M296 WeakPolarHBondContact O-CG 3.29Å; R292-M296 PolarHBondContact O-N 3.22Å
293	A	98.6	Very high	97.9	Very high	59 Å²	59	82.1 Å²	82.1	49%	0.488	44%	0.435	S	S	.	.	H	α-helix	trans	-61.1	-43.5	-179	0	0	0	0	0	110.9	N290 L295 M296 D297	N290-A293 HydrophobicContact CB-CB 4.37Å; N290-A293 PolarHBondContact O-N 3.32Å; N290-A293 VanDerWaalsContact O-N 3.09Å; A293-L295 PolarHBondContact O-N 3.1Å; A293-M296 PolarHBondContact O-N 3.04Å; A293-D297 WeakPolarHBondContact O-CB 3Å; A293-D297 PolarHBondContact O-N 3.38Å
294	T	98.5	Very high	97.7	Very high	86 Å²	86	82.8 Å²	82.8	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-61.3	-45.1	178.1	-57.1	0	0	0	0	112.5	N290 L291 R292 A298	N290-T294 PolarHBondContact O-N 3.2Å; N290-T294 PolarHBondContact O-OG1 3.45Å; L291-T294 PolarHBondContact O-N 2.84Å; R292-T294 VanDerWaalsContact C-N 3.31Å; R292-T294 PolarHBondContact O-N 2.61Å; T294-A298 WeakPolarHBondContact O-CB 3.32Å; T294-A298 PolarHBondContact O-N 3.16Å
295	L	98.3	Very high	97.4	Very high	69 Å²	69	81 Å²	81	36%	0.361	44%	0.436	S	S	.	.	H	α-helix	trans	-68.1	-38.8	178.4	-68.3	174.7	0	0	0	112.2	L291 R292 A293 A298 V299	L291-L295 HydrophobicContact CD1-CD1 3.98Å; L291-L295 HydrophobicContact CD1-CG 4.17Å; L291-L295 HydrophobicContact CG-CD1 4.03Å; L291-L295 WeakPolarHBondContact O-CG 3.38Å; L291-L295 PolarHBondContact O-N 2.74Å; R292-L295 PolarHBondContact O-N 3.22Å; A293-L295 PolarHBondContact O-N 3.1Å; L295-A298 PolarHBondContact O-N 2.81Å; L295-V299 WeakPolarHBondContact O-CG2 3.3Å; L295-V299 PolarHBondContact O-N 2.6Å
296	M	98.4	Very high	97	Very high	117 Å²	117	78.5 Å²	78.5	58%	0.576	42%	0.417	S	S	*	.	H	α-helix	trans	-65.4	-43.8	176.2	-70.6	171.9	67.1	0	0	111.8	R292 A293 V299 Q300	R292-M296 WeakPolarHBondContact O-CB 3.41Å; R292-M296 VanDerWaalsContact O-CG 3.25Å; R292-M296 WeakPolarHBondContact O-CG 3.29Å; R292-M296 PolarHBondContact O-N 3.22Å; A293-M296 PolarHBondContact O-N 3.04Å; M296-V299 PolarHBondContact O-N 2.75Å; M296-Q300 WeakPolarHBondContact O-CG 3.42Å; M296-Q300 PolarHBondContact O-N 2.79Å; M296-Q300 VanDerWaalsContact O-N 3.09Å
297	D	98.4	Very high	96.6	Very high	77 Å²	77	78.6 Å²	78.6	41%	0.412	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-42.8	176.4	-174.8	63	0	0	0	111	A293 V299 Q300 K301	A293-D297 WeakPolarHBondContact O-CB 3Å; A293-D297 PolarHBondContact O-N 3.38Å; D297-V299 VanDerWaalsContact C-N 3.32Å; D297-V299 PolarHBondContact O-N 2.98Å; D297-Q300 PolarHBondContact O-N 3.17Å; D297-Q300 VanDerWaalsContact O-N 3.08Å; D297-K301 WeakPolarHBondContact O-CG 3.49Å; D297-K301 PolarHBondContact O-N 3.32Å; D297-K301 WeakPolarHBondContact OD1-CE 3.48Å
298	A	98.4	Very high	96.2	Very high	28 Å²	28	79.9 Å²	79.9	23%	0.231	42%	0.421	C	S	.	.	H	α-helix	trans	-54.9	-45.2	176.8	0	0	0	0	0	112.7	Y221 T294 L295 K301 V302	Y221-A298 HydrophobicContact CE1-CB 4.4Å; T294-A298 WeakPolarHBondContact O-CB 3.32Å; T294-A298 PolarHBondContact O-N 3.16Å; L295-A298 PolarHBondContact O-N 2.81Å; A298-K301 PolarHBondContact O-N 2.92Å; A298-V302 WeakPolarHBondContact O-CG2 3.31Å; A298-V302 PolarHBondContact O-N 3.36Å; A298-V302 VanDerWaalsContact O-N 3.13Å
299	V	97.9	Very high	95.5	Very high	41 Å²	41	74.6 Å²	74.6	25%	0.248	40%	0.4	C	S	.	.	H	α-helix	trans	-65.1	-42.8	176.7	174.7	0	0	0	0	111.2	V214 Y221 L295 M296 D297 V302 C303	V214-V299 HydrophobicContact CG2-CG1 4.18Å; Y221-V299 HydrophobicContact CE2-CG2 4.48Å; L295-V299 WeakPolarHBondContact O-CG2 3.3Å; L295-V299 PolarHBondContact O-N 2.6Å; M296-V299 PolarHBondContact O-N 2.75Å; D297-V299 VanDerWaalsContact C-N 3.32Å; D297-V299 PolarHBondContact O-N 2.98Å; V299-V302 PolarHBondContact O-N 3.41Å; V299-C303 PolarHBondContact O-N 3.01Å
300	Q	97.9	Very high	94.7	Very high	118 Å²	118	73.2 Å²	73.2	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-62.9	-41.8	177.4	-71.3	175.7	45.2	0	0	112.2	M296 D297 V302 C303 A304	M296-Q300 WeakPolarHBondContact O-CG 3.42Å; M296-Q300 PolarHBondContact O-N 2.79Å; M296-Q300 VanDerWaalsContact O-N 3.09Å; D297-Q300 PolarHBondContact O-N 3.17Å; D297-Q300 VanDerWaalsContact O-N 3.08Å; Q300-V302 PolarHBondContact O-N 3.31Å; Q300-C303 PolarHBondContact O-N 2.99Å; Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.22Å
301	K	98.1	Very high	93.9	Very high	133 Å²	133	76.4 Å²	76.4	58%	0.578	39%	0.391	S	S	*	.	H	α-helix	trans	-63.9	-39	177	-66.3	-61.1	179.5	-172.6	0	112.3	D297 A298 R305	D297-K301 WeakPolarHBondContact O-CG 3.49Å; D297-K301 PolarHBondContact O-N 3.32Å; D297-K301 WeakPolarHBondContact OD1-CE 3.48Å; A298-K301 PolarHBondContact O-N 2.92Å; K301-R305 VanDerWaalsContact O-CB 3.29Å; K301-R305 WeakPolarHBondContact O-CB 3.39Å; K301-R305 PolarHBondContact O-N 3.36Å
302	V	95.1	Very high	92.2	Very high	34 Å²	34	81.3 Å²	81.3	21%	0.206	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-44.4	173.4	171.7	0	0	0	0	111.1	V212 Y221 A298 V299 Q300 R305 G306	V212-V302 HydrophobicContact CB-CG1 4.43Å; V212-V302 HydrophobicContact CG1-CG1 3.8Å; Y221-V302 VanDerWaalsContact OH-CG2 3.22Å; Y221-V302 WeakPolarHBondContact OH-CG2 3.34Å; A298-V302 WeakPolarHBondContact O-CG2 3.31Å; A298-V302 PolarHBondContact O-N 3.36Å; A298-V302 VanDerWaalsContact O-N 3.13Å; V299-V302 PolarHBondContact O-N 3.41Å; Q300-V302 PolarHBondContact O-N 3.31Å; V302-R305 PolarHBondContact O-N 2.87Å; V302-G306 PolarHBondContact O-N 3.34Å
303	C	94.8	Very high	90.2	Very high	27 Å²	27	78.3 Å²	78.3	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-59.5	-52.4	178.3	-170.2	0	0	0	0	111.5	N209 V299 Q300 R305 G306 E307	N209-C303 HydrophobicContact CB-CB 4.47Å; V299-C303 PolarHBondContact O-N 3.01Å; Q300-C303 PolarHBondContact O-N 2.99Å; C303-R305 VanDerWaalsContact C-N 3.3Å; C303-R305 PolarHBondContact O-N 3.28Å; C303-G306 WeakPolarHBondContact O-CA 3.28Å; C303-G306 PolarHBondContact O-N 3Å; C303-E307 PolarHBondContact O-N 3.5Å; C303-E307 VanDerWaalsContact O-N 3.08Å
304	A	94.6	Very high	89.8	Confident	42 Å²	42	79.3 Å²	79.3	35%	0.347	41%	0.406	S	S	.	.	H	α-helix	trans	-57.8	-42.1	178.1	0	0	0	0	0	111.9	Q300 G306 E307 E308	Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.22Å; A304-G306 VanDerWaalsContact C-N 3.34Å; A304-G306 PolarHBondContact O-N 3.35Å; A304-E307 WeakPolarHBondContact O-CB 3.45Å; A304-E307 PolarHBondContact O-N 3.37Å; A304-E308 WeakPolarHBondContact O-CG 3.41Å; A304-E308 PolarHBondContact O-N 3.34Å
305	R	92.2	Very high	89.3	Confident	118 Å²	118	78.9 Å²	78.9	45%	0.445	40%	0.4	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.1	-178.6	56.5	-178.8	155.6	4	112.5	K301 V302 C303 E307 E308 L309	K301-R305 VanDerWaalsContact O-CB 3.29Å; K301-R305 WeakPolarHBondContact O-CB 3.39Å; K301-R305 PolarHBondContact O-N 3.36Å; V302-R305 PolarHBondContact O-N 2.87Å; C303-R305 VanDerWaalsContact C-N 3.3Å; C303-R305 PolarHBondContact O-N 3.28Å; R305-E307 VanDerWaalsContact C-N 3.33Å; R305-E308 WeakPolarHBondContact CD-OE2 3.4Å; R305-E308 IonicContact CZ-OE2 3.81Å; R305-E308 IonicContact NH1-OE2 2.72Å; R305-E308 PolarHBondContact NH1-OE2 2.82Å; R305-E308 PolarHBondContact O-N 3.49Å; R305-L309 WeakPolarHBondContact O-CG 3.31Å; R305-L309 PolarHBondContact O-N 2.82Å; R305-L309 VanDerWaalsContact O-N 3.13Å
306	G	89.1	Confident	88.8	Confident	11 Å²	11	79.4 Å²	79.4	11%	0.113	40%	0.402	C	S	.	.	H	α-helix	trans	-59.8	-43.2	174	0	0	0	0	0	112.2	V302 C303 A304 L309 S310	V302-G306 PolarHBondContact O-N 3.34Å; C303-G306 WeakPolarHBondContact O-CA 3.28Å; C303-G306 PolarHBondContact O-N 3Å; A304-G306 VanDerWaalsContact C-N 3.34Å; A304-G306 PolarHBondContact O-N 3.35Å; G306-L309 PolarHBondContact O-N 3.15Å; G306-S310 PolarHBondContact O-N 3.39Å; G306-S310 VanDerWaalsContact O-N 3.17Å; G306-S310 PolarHBondContact O-OG 2.95Å
307	E	90.4	Very high	88.3	Confident	95 Å²	95	77.2 Å²	77.2	44%	0.444	39%	0.392	S	S	.	.	H	α-helix	trans	-64.5	-39.7	176.8	-65.4	170	-166.3	0	0	112.6	N209 C303 A304 R305 L309 S310 K311	N209-E307 VanDerWaalsContact ND2-CG 3.31Å; N209-E307 WeakPolarHBondContact ND2-CG 3.48Å; N209-E307 PolarHBondContact ND2-N 2.83Å; C303-E307 PolarHBondContact O-N 3.5Å; C303-E307 VanDerWaalsContact O-N 3.08Å; A304-E307 WeakPolarHBondContact O-CB 3.45Å; A304-E307 PolarHBondContact O-N 3.37Å; R305-E307 VanDerWaalsContact C-N 3.33Å; E307-L309 VanDerWaalsContact C-N 3.32Å; E307-L309 PolarHBondContact O-N 3.37Å; E307-S310 PolarHBondContact O-N 3.05Å; E307-K311 PolarHBondContact O-N 2.67Å
308	E	89.4	Confident	87.6	Confident	95 Å²	95	77.3 Å²	77.3	44%	0.444	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-39.8	174.2	-70.2	172.8	-171	0	0	112.5	A304 R305 S310 K311 K312	A304-E308 WeakPolarHBondContact O-CG 3.41Å; A304-E308 PolarHBondContact O-N 3.34Å; R305-E308 WeakPolarHBondContact CD-OE2 3.4Å; R305-E308 IonicContact CZ-OE2 3.81Å; R305-E308 IonicContact NH1-OE2 2.72Å; R305-E308 PolarHBondContact NH1-OE2 2.82Å; R305-E308 PolarHBondContact O-N 3.49Å; E308-S310 VanDerWaalsContact C-N 3.32Å; E308-K311 PolarHBondContact O-N 2.94Å; E308-K312 PolarHBondContact O-N 3.11Å
309	L	83.7	Confident	86.9	Confident	53 Å²	53	80.5 Å²	80.5	28%	0.277	40%	0.401	S	S	.	.	H	α-helix	trans	-66	-36.2	178.3	-70.7	173.1	0	0	0	111.6	R305 G306 E307 K311 K312 S313	R305-L309 WeakPolarHBondContact O-CG 3.31Å; R305-L309 PolarHBondContact O-N 2.82Å; R305-L309 VanDerWaalsContact O-N 3.13Å; G306-L309 PolarHBondContact O-N 3.15Å; E307-L309 VanDerWaalsContact C-N 3.32Å; E307-L309 PolarHBondContact O-N 3.37Å; L309-K311 VanDerWaalsContact C-N 3.33Å; L309-K311 PolarHBondContact O-N 3.32Å; L309-K312 PolarHBondContact O-N 3.15Å; L309-S313 PolarHBondContact O-OG 3.14Å
310	S	81.3	Confident	86.1	Confident	22 Å²	22	83.4 Å²	83.4	15%	0.154	41%	0.412	C	S	.	.	H	α-helix	trans	-65.5	-32.6	176.6	-62.5	0	0	0	0	113.6	G141 Q146 G306 E307 E308	G141-S310 WeakPolarHBondContact CA-OG 3.38Å; G141-S310 WeakPolarHBondContact O-CA 3.33Å; G141-S310 VanDerWaalsContact O-CB 3.26Å; G141-S310 WeakPolarHBondContact O-CB 3.33Å; G141-S310 PolarHBondContact O-OG 3.17Å; Q146-S310 PolarHBondContact NE2-O 2.95Å; G306-S310 PolarHBondContact O-N 3.39Å; G306-S310 VanDerWaalsContact O-N 3.17Å; G306-S310 PolarHBondContact O-OG 2.95Å; E307-S310 PolarHBondContact O-N 3.05Å; E308-S310 VanDerWaalsContact C-N 3.32Å
311	K	81.5	Confident	85.2	Confident	175 Å²	175	80.7 Å²	80.7	76%	0.761	40%	0.401	S	S	*	.	H	α-helix	trans	-78.6	-21.2	179.8	-67.2	175.7	-175.1	174.7	0	114.2	E307 E308 L309	E307-K311 PolarHBondContact O-N 2.67Å; E308-K311 PolarHBondContact O-N 2.94Å; L309-K311 VanDerWaalsContact C-N 3.33Å; L309-K311 PolarHBondContact O-N 3.32Å
312	K	62.7	Low	84.1	Confident	167 Å²	167	76.3 Å²	76.3	73%	0.726	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.9	-175.7	-74.3	-173.9	176.3	-173.2	0	114.3	E308 L309	E308-K312 PolarHBondContact O-N 3.11Å; L309-K312 PolarHBondContact O-N 3.15Å
313	S	55	Low	83.1	Confident	77 Å²	77	80.2 Å²	80.2	54%	0.538	40%	0.403	S	S	.	.			trans	-102.1	0	-175.8	-51.7	0	0	0	0	110.8	I142 Q146 L309	I142-S313 VanDerWaalsContact CD1-OG 3.24Å; I142-S313 WeakPolarHBondContact CD1-OG 3.43Å; Q146-S313 PolarHBondContact NE2-OXT 3.02Å; L309-S313 PolarHBondContact O-OG 3.14Å

Retrieved 313 of 313 residues in 983.3 ms (Link to these results)

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