A0A096MH88_POEFO Loading...

Serine/threonine-protein kinase Sgk1

Protein kinase that may play an important role in cellular stress response. May be involved in the regulation of processes such as cell survival, neuronal excitability and renal sodium excretion.

AlphaFold DB , UniProt , Accession A0A096MH88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40	Very low	33.4	Very low	245 Å²	245	154.9 Å²	154.9	100%	1.207	87%	0.872	S	S	*	*				0	109.4	0	-74.5	-174.7	-171.6	0	0	108.3
2	A	29.4	Very low	33.7	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	86%	0.858	S	S	*	*			trans	-148.6	94.9	166	0	0	0	0	0	107.1	C4	A2-C4 PolarHBondContact O-N 3.43Å
3	H	33.3	Very low	34.3	Very low	190 Å²	190	147.6 Å²	147.6	88%	0.88	85%	0.849	S	S	*	*			trans	-70	116.8	168.9	-86.9	-80	0	0	0	108.2
4	C	30.8	Very low	34.7	Very low	126 Å²	126	147.9 Å²	147.9	85%	0.851	85%	0.845	S	S	*	*			trans	-104.1	109.2	163.7	-144.4	0	0	0	0	108	A2 L6	A2-C4 PolarHBondContact O-N 3.43Å; C4-L6 PolarHBondContact O-N 3.22Å
5	N	31.2	Very low	35.4	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	82%	0.824	S	S	*	*			trans	-65.1	117.1	178.3	-83.4	-37.7	0	0	0	110.5	R7	N5-R7 PolarHBondContact O-N 2.61Å
6	L	35.8	Very low	36.4	Very low	180 Å²	180	141.4 Å²	141.4	94%	0.942	80%	0.803	S	S	*	*			trans	-69.8	100.3	160	-81	152.9	0	0	0	108.5	C4	C4-L6 PolarHBondContact O-N 3.22Å
7	R	31.9	Very low	37.4	Very low	233 Å²	233	134.9 Å²	134.9	88%	0.879	77%	0.767	S	S	*	*			trans	-90.4	113.8	159.8	-82.6	-174.3	177.5	-170.1	-0.2	108.3	N5	N5-R7 PolarHBondContact O-N 2.61Å
8	S	34.7	Very low	38.5	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-55.8	129	162.7	39.9	0	0	0	0	110.3
9	T	32.3	Very low	39.5	Very low	132 Å²	132	129.6 Å²	129.6	81%	0.81	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-75.3	132.3	166.5	38.3	0	0	0	0	109.3
10	P	32.9	Very low	40.3	Very low	120 Å²	120	124.5 Å²	124.5	78%	0.779	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-74.1	148.9	174.4	28.4	-28.3	0	0	0	110.7
11	S	35.7	Very low	40.8	Very low	120 Å²	120	124.8 Å²	124.8	84%	0.839	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-49.8	141.4	177.2	38.1	0	0	0	0	113.6
12	S	36.1	Very low	41.7	Very low	101 Å²	101	115.7 Å²	115.7	71%	0.706	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-63.6	145.8	179.7	46	0	0	0	0	113.1
13	P	42.3	Very low	42.9	Very low	114 Å²	114	114.1 Å²	114.1	74%	0.74	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-73.8	149.1	175.9	31	-31.5	0	0	0	110.7	D15	P13-D15 PolarHBondContact O-N 2.87Å; P13-D15 VanDerWaalsContact O-N 3.13Å
14	L	40.2	Very low	44.1	Very low	152 Å²	152	106.8 Å²	106.8	80%	0.796	63%	0.632	S	S	*	*			trans	-32.7	110.7	176.1	-71.7	139.4	0	0	0	113	D16	L14-D16 PolarHBondContact O-N 3.33Å; L14-D16 VanDerWaalsContact O-N 3.12Å
15	D	45.3	Very low	45.4	Very low	99 Å²	99	105.3 Å²	105.3	53%	0.529	62%	0.622	S	S	.	*			trans	-61.4	111.4	177.8	-57	-44.3	0	0	0	110.7	P13 V17 K75	P13-D15 PolarHBondContact O-N 2.87Å; P13-D15 VanDerWaalsContact O-N 3.13Å; D15-V17 PolarHBondContact O-N 3.34Å; D15-K75 IonicContact OD2-NZ 3.83Å; D15-K75 PolarHBondContact OD2-NZ 3.05Å
16	D	51	Low	47.1	Very low	92 Å²	92	104.8 Å²	104.8	49%	0.492	61%	0.614	S	S	.	*			trans	-62.9	121.4	163.6	-79.8	-26.7	0	0	0	109.3	L14 N18 A347	L14-D16 PolarHBondContact O-N 3.33Å; L14-D16 VanDerWaalsContact O-N 3.12Å; D16-N18 PolarHBondContact O-N 3.21Å; D16-A347 WeakPolarHBondContact OD1-CA 3.24Å
17	V	52.9	Low	49.1	Very low	32 Å²	32	97 Å²	97	19%	0.194	58%	0.576	C	S	.	*			trans	-82.9	103.9	171.1	-177.5	0	0	0	0	108.5	D15 L19 K75 M78	D15-V17 PolarHBondContact O-N 3.34Å; V17-L19 HydrophobicContact CG1-CD2 4.15Å; V17-L19 HydrophobicContact CG1-CG 4.35Å; V17-K75 HydrophobicContact CG2-CG 3.73Å; V17-M78 HydrophobicContact CB-CG 4.38Å; V17-M78 HydrophobicContact CG1-CB 4.12Å; V17-M78 HydrophobicContact CG1-CE 4.35Å; V17-M78 HydrophobicContact CG1-CG 4.2Å
18	N	56.9	Low	51.7	Low	107 Å²	107	92.5 Å²	92.5	57%	0.572	56%	0.559	S	S	*	*			trans	-99.4	110.1	176.3	-175.5	-0.9	0	0	0	110.5	D16 G20 N349	D16-N18 PolarHBondContact O-N 3.21Å; N18-G20 VanDerWaalsContact C-N 3.33Å; N18-G20 PolarHBondContact OD1-N 2.74Å; N18-N349 HydrophobicContact CB-CB 4.33Å
19	L	58.7	Low	54.2	Low	61 Å²	61	87.1 Å²	87.1	32%	0.319	52%	0.521	S	S	.	.			trans	-90.6	10.9	176.3	-59.8	176	0	0	0	113.6	V17 M78 N82 N349	V17-L19 HydrophobicContact CG1-CD2 4.15Å; V17-L19 HydrophobicContact CG1-CG 4.35Å; L19-M78 HydrophobicContact CB-CE 4.35Å; L19-M78 HydrophobicContact CD1-CB 4.29Å; L19-M78 HydrophobicContact CD1-CE 3.26Å; L19-M78 HydrophobicContact CD1-SD 4.12Å; L19-M78 HydrophobicContact CG-CE 3.53Å; L19-N82 WeakPolarHBondContact CD1-OD1 3.25Å; L19-N349 PolarHBondContact N-O 3.35Å
20	G	54.6	Low	56.9	Low	28 Å²	28	83.8 Å²	83.8	29%	0.289	50%	0.501	S	S	.	.			trans	96.1	-170.3	-176.8	0	0	0	0	0	113.9	N18 G350	N18-G20 VanDerWaalsContact C-N 3.33Å; N18-G20 PolarHBondContact OD1-N 2.74Å; G20-G350 WeakPolarHBondContact O-CA 3.33Å; G20-G350 PolarHBondContact O-N 3.19Å
21	P	51.3	Low	59.7	Low	131 Å²	131	80.8 Å²	80.8	85%	0.851	48%	0.478	S	S	*	.	S	Bend	trans	-68.5	145.6	-176.9	26.9	-32.4	0	0	0	112.4	A23	P21-A23 PolarHBondContact O-N 2.96Å
22	S	57.7	Low	62.4	Low	53 Å²	53	75.4 Å²	75.4	37%	0.371	44%	0.44	S	S	.	.			trans	-65.3	127.9	178.3	-76.5	0	0	0	0	111.7	N24	S22-N24 VanDerWaalsContact C-N 3.35Å; S22-N24 PolarHBondContact O-N 3.25Å
23	A	56.6	Low	65.2	Low	69 Å²	69	74 Å²	74	57%	0.57	42%	0.424	S	S	*	.	S	Bend	trans	-81.1	-9.4	-177.3	0	0	0	0	0	114.4	P21 S352	P21-A23 PolarHBondContact O-N 2.96Å; A23-S352 PolarHBondContact N-O 2.98Å
24	N	56.4	Low	67.7	Low	36 Å²	36	69.8 Å²	69.8	19%	0.193	39%	0.394	C	S	.	.			trans	-156.5	108.3	165.8	-176.5	7.7	0	0	0	111.6	S22 H26 V354	S22-N24 VanDerWaalsContact C-N 3.35Å; S22-N24 PolarHBondContact O-N 3.25Å; N24-H26 VanDerWaalsContact C-N 3.28Å; N24-H26 PolarHBondContact O-N 3.07Å; N24-H26 WeakPolarHBondContact OD1-CA 3.33Å; N24-H26 WeakPolarHBondContact OD1-CB 3.38Å; N24-H26 PolarHBondContact OD1-N 3.47Å; N24-V354 HydrophobicContact CB-CB 4.15Å; N24-V354 HydrophobicContact CB-CG2 3.14Å; N24-V354 VanDerWaalsContact CG-CG2 3.45Å; N24-V354 WeakPolarHBondContact ND2-CG2 3.48Å
25	P	58.8	Low	70.3	Confident	96 Å²	96	66.5 Å²	66.5	62%	0.623	38%	0.377	S	S	*	.	S	Bend	trans	-80.5	-5.4	175.4	31.9	-33	0	0	0	113.6
26	H	66.8	Low	72.7	Confident	131 Å²	131	62.6 Å²	62.6	61%	0.606	36%	0.358	S	S	*	.			trans	-98.8	-18.1	-167.3	-57.4	-59.8	0	0	0	115.4	N24 R28	N24-H26 VanDerWaalsContact C-N 3.28Å; N24-H26 PolarHBondContact O-N 3.07Å; N24-H26 WeakPolarHBondContact OD1-CA 3.33Å; N24-H26 WeakPolarHBondContact OD1-CB 3.38Å; N24-H26 PolarHBondContact OD1-N 3.47Å; H26-R28 WeakPolarHBondContact O-CG 3.25Å; H26-R28 PolarHBondContact O-N 2.91Å
27	A	78.8	Confident	74.8	Confident	17 Å²	17	58.2 Å²	58.2	14%	0.14	34%	0.335	C	S	.	.			trans	-63.7	126.2	175.3	0	0	0	0	0	110.4	F100	A27-F100 HydrophobicContact CB-CB 4.07Å; A27-F100 HydrophobicContact CB-CD1 3.87Å; A27-F100 HydrophobicContact CB-CE1 4.48Å; A27-F100 HydrophobicContact CB-CG 3.96Å; A27-F100 WeakPolarHBondContact O-CD2 3.46Å
28	R	85.6	Confident	76.8	Confident	137 Å²	137	57.8 Å²	57.8	52%	0.517	33%	0.332	S	S	.	.			trans	-128	153.2	-175.6	-68.1	165.4	-166.4	-160	2.7	110.6	H26 T30 D31 F32	H26-R28 WeakPolarHBondContact O-CG 3.25Å; H26-R28 PolarHBondContact O-N 2.91Å; R28-T30 WeakPolarHBondContact CB-OG1 3.16Å; R28-T30 PolarHBondContact O-N 3.46Å; R28-T30 VanDerWaalsContact O-N 3.12Å; R28-D31 PolarHBondContact N-OD2 3.2Å; R28-D31 WeakPolarHBondContact O-CB 3.38Å; R28-D31 PolarHBondContact O-N 2.83Å; R28-F32 WeakPolarHBondContact O-CD2 3.32Å
29	P	87.3	Confident	78.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56	-30.7	172.2	-21.4	31.5	0	0	0	113.1	D31 F32 F34 F100 T102 Y107 V332 T335	P29-D31 PolarHBondContact O-N 3.17Å; P29-F32 PolarHBondContact O-N 3.16Å; P29-F34 HydrophobicContact CB-CE2 4.37Å; P29-F34 WeakPolarHBondContact O-CE2 3.39Å; P29-F100 HydrophobicContact CG-CE2 4Å; P29-T102 HydrophobicContact CG-CG2 3.81Å; P29-Y107 HydrophobicContact CB-CE1 4.24Å; P29-Y107 HydrophobicContact CG-CE1 4.06Å; P29-Y107 HydrophobicContact CG-CE2 4.02Å; P29-V332 WeakPolarHBondContact CB-O 3.19Å; P29-T335 HydrophobicContact CG-CG2 4.32Å
30	T	89.9	Confident	80	Confident	63 Å²	63	57.1 Å²	57.1	39%	0.387	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-67	-15.7	180	49.8	0	0	0	0	114.3	R28 F32 K52	R28-T30 WeakPolarHBondContact CB-OG1 3.16Å; R28-T30 PolarHBondContact O-N 3.46Å; R28-T30 VanDerWaalsContact O-N 3.12Å; T30-F32 PolarHBondContact O-N 3.04Å; T30-K52 PolarHBondContact O-NZ 3.23Å
31	D	90.1	Very high	81.3	Confident	56 Å²	56	58 Å²	58	30%	0.299	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-75.1	-11.6	177.7	-53.7	-23.4	0	0	0	111.6	R28 P29 L51 K52	R28-D31 PolarHBondContact N-OD2 3.2Å; R28-D31 WeakPolarHBondContact O-CB 3.38Å; R28-D31 PolarHBondContact O-N 2.83Å; P29-D31 PolarHBondContact O-N 3.17Å; D31-L51 HydrophobicContact CB-CD1 4.12Å; D31-K52 WeakPolarHBondContact O-CB 3.44Å; D31-K52 VanDerWaalsContact O-CG 3.3Å; D31-K52 WeakPolarHBondContact O-CG 3.48Å; D31-K52 PolarHBondContact O-N 3.43Å
32	F	92.8	Very high	82.9	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.1	-176.7	-60.4	-93.5	0	0	0	111.8	R28 P29 T30 F34 A49 K50 L51 Y58 V60 F100 V109	R28-F32 WeakPolarHBondContact O-CD2 3.32Å; P29-F32 PolarHBondContact O-N 3.16Å; T30-F32 PolarHBondContact O-N 3.04Å; F32-F34 HydrophobicContact CB-CD2 4.46Å; F32-F34 HydrophobicContact CB-CE2 3.97Å; F32-F34 HydrophobicContact CB-CZ 3.99Å; F32-A49 HydrophobicContact CB-CB 4.13Å; F32-A49 HydrophobicContact CD1-CB 4.26Å; F32-K50 CarbonylContact C-O 3.5Å; F32-K50 WeakPolarHBondContact CA-O 3.02Å; F32-L51 HydrophobicContact CD1-CB 4.08Å; F32-L51 HydrophobicContact CD1-CD1 4.14Å; F32-L51 HydrophobicContact CE1-CB 3.91Å; F32-L51 HydrophobicContact CE1-CD1 3.78Å; F32-L51 HydrophobicContact CE1-CG 4.32Å; F32-L51 HydrophobicContact CE2-CD1 4.27Å; F32-L51 HydrophobicContact CZ-CD1 3.84Å; F32-Y58 HydrophobicContact CE1-CD2 4.47Å; F32-V60 HydrophobicContact CD1-CG2 4.41Å; F32-F100 HydrophobicContact CD2-CZ 4.4Å; F32-F100 AromaticContact CE2-CE1 3.79Å; F32-F100 HydrophobicContact CE2-CE1 3.79Å; F32-F100 AromaticContact CE2-CZ 3.93Å; F32-F100 HydrophobicContact CE2-CZ 3.93Å; F32-F100 HydrophobicContact CZ-CE1 4.28Å; F32-V109 HydrophobicContact CE1-CG1 3.91Å; F32-V109 HydrophobicContact CE1-CG2 4.2Å; F32-V109 HydrophobicContact CE2-CG2 4.45Å; F32-V109 HydrophobicContact CZ-CG1 4.18Å; F32-V109 HydrophobicContact CZ-CG2 3.77Å
33	D	94.6	Very high	84.3	Confident	71 Å²	71	55.3 Å²	55.3	38%	0.38	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107.3	163.3	-64.6	-43	0	0	0	108.5	L35 A49 K50 K52	D33-L35 HydrophobicContact CB-CD2 4.26Å; D33-L35 WeakPolarHBondContact O-CG 3.47Å; D33-A49 CarbonylContact O-C 3.54Å; D33-A49 WeakPolarHBondContact O-CA 3.28Å; D33-K50 HydrophobicContact CB-CB 4.4Å; D33-K50 PolarHBondContact N-O 3.42Å; D33-K50 PolarHBondContact O-N 3.43Å; D33-K52 WeakPolarHBondContact OD1-CE 3.43Å; D33-K52 IonicContact OD1-NZ 3.69Å; D33-K52 PolarHBondContact OD1-NZ 3.18Å
34	F	95.4	Very high	86	Confident	25 Å²	25	52.7 Å²	52.7	11%	0.11	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120	178.6	-64.3	-84.9	0	0	0	110.3	P29 F32 L47 A49 V60 V328 V332	P29-F34 HydrophobicContact CB-CE2 4.37Å; P29-F34 WeakPolarHBondContact O-CE2 3.39Å; F32-F34 HydrophobicContact CB-CD2 4.46Å; F32-F34 HydrophobicContact CB-CE2 3.97Å; F32-F34 HydrophobicContact CB-CZ 3.99Å; F34-L47 HydrophobicContact CB-CD2 4.45Å; F34-L47 HydrophobicContact CD1-CB 3.92Å; F34-L47 HydrophobicContact CD1-CD2 4.16Å; F34-L47 HydrophobicContact CD1-CG 4.46Å; F34-A49 HydrophobicContact CD1-CB 3.75Å; F34-A49 HydrophobicContact CE1-CB 4.06Å; F34-A49 HydrophobicContact CG-CB 4.34Å; F34-V60 HydrophobicContact CE1-CB 4.06Å; F34-V60 HydrophobicContact CE1-CG1 4.02Å; F34-V60 HydrophobicContact CE1-CG2 4.29Å; F34-V328 HydrophobicContact CB-CG1 3.69Å; F34-V332 HydrophobicContact CD1-CG1 3.72Å; F34-V332 HydrophobicContact CD2-CG1 3.88Å; F34-V332 HydrophobicContact CE1-CG1 3.49Å; F34-V332 VanDerWaalsContact CE1-CG1 3.49Å; F34-V332 HydrophobicContact CE2-CG1 3.66Å; F34-V332 HydrophobicContact CG-CG1 3.91Å; F34-V332 HydrophobicContact CZ-CG1 3.47Å; F34-V332 VanDerWaalsContact CZ-CG1 3.47Å
35	L	95	Very high	87.8	Confident	84 Å²	84	52.9 Å²	52.9	44%	0.44	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-46.4	-166.4	-54.4	179.2	0	0	0	112.9	D33 L48 K50 F57	D33-L35 HydrophobicContact CB-CD2 4.26Å; D33-L35 WeakPolarHBondContact O-CG 3.47Å; L35-L48 HydrophobicContact CB-CD2 4.44Å; L35-L48 HydrophobicContact CB-CG 4.29Å; L35-L48 HydrophobicContact CD1-CD2 4.41Å; L35-L48 HydrophobicContact CD1-CG 4.27Å; L35-L48 PolarHBondContact N-O 2.78Å; L35-K50 HydrophobicContact CD1-CB 4.33Å; L35-F57 HydrophobicContact CD1-CD1 3.91Å; L35-F57 HydrophobicContact CD1-CE1 3.51Å
36	A	95.5	Very high	89.6	Confident	16 Å²	16	50 Å²	50	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153	-176.5	0	0	0	0	0	111.5	I38 L47 L48	A36-I38 HydrophobicContact CB-CG2 4.47Å; A36-L47 CarbonylContact O-C 3.52Å; A36-L47 VanDerWaalsContact O-CA 3.24Å; A36-L47 WeakPolarHBondContact O-CA 3.33Å; A36-L48 HydrophobicContact CB-CB 4.4Å; A36-L48 PolarHBondContact N-O 2.76Å; A36-L48 PolarHBondContact O-N 2.87Å
37	V	95.8	Very high	91	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.5	163.5	-178.4	0	0	0	0	107.7	K45 L47 F323 T324 E326	V37-K45 HydrophobicContact CG1-CD 4.29Å; V37-K45 HydrophobicContact CG2-CD 4.4Å; V37-L47 HydrophobicContact CG2-CD2 4.34Å; V37-F323 HydrophobicContact CG1-CB 4.47Å; V37-F323 CarbonylContact O-C 3.59Å; V37-T324 PolarHBondContact O-N 3.11Å; V37-E326 HydrophobicContact CB-CB 4.29Å; V37-E326 HydrophobicContact CG2-CB 4.3Å
38	I	94.3	Very high	91.9	Very high	24 Å²	24	43.1 Å²	43.1	12%	0.123	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-4.2	-177	59.6	172.4	0	0	0	113.4	A36 V46 L48 A59 Y112 I319	A36-I38 HydrophobicContact CB-CG2 4.47Å; I38-V46 HydrophobicContact CD1-CG1 3.88Å; I38-V46 HydrophobicContact CG1-CB 4.05Å; I38-V46 HydrophobicContact CG1-CG1 3.76Å; I38-V46 WeakPolarHBondContact CG1-O 3.19Å; I38-V46 PolarHBondContact N-O 2.85Å; I38-L48 HydrophobicContact CD1-CB 4.35Å; I38-L48 HydrophobicContact CG2-CB 3.76Å; I38-A59 HydrophobicContact CD1-CB 3.97Å; I38-Y112 HydrophobicContact CD1-CD2 3.94Å; I38-Y112 HydrophobicContact CD1-CE2 3.79Å; I38-I319 HydrophobicContact CB-CD1 3.85Å; I38-I319 HydrophobicContact CB-CG2 4.19Å; I38-I319 HydrophobicContact CG2-CD1 3.51Å; I38-I319 HydrophobicContact CG2-CG2 4.42Å
39	G	92.1	Very high	92.4	Very high	12 Å²	12	36.6 Å²	36.6	12%	0.124	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	164	174.6	0	0	0	0	0	111.9	V46	G39-V46 PolarHBondContact N-O 3.42Å; G39-V46 PolarHBondContact O-N 3.39Å
40	K	89.9	Confident	92.8	Very high	141 Å²	141	39.2 Å²	39.2	61%	0.613	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.7	130.8	-179.8	-172.4	176.8	177.5	-177.9	0	109.8	F323	K40-F323 HydrophobicContact CB-CD1 4.44Å; K40-F323 HydrophobicContact CB-CE1 4.09Å
41	G	83.5	Confident	93	Very high	46 Å²	46	36.9 Å²	36.9	47%	0.474	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	176.2	178.2	0	0	0	0	0	112.1	F43 G44	G41-F43 PolarHBondContact O-N 3.44Å; G41-F43 VanDerWaalsContact O-N 3.12Å; G41-G44 PolarHBondContact N-O 3.25Å; G41-G44 PolarHBondContact O-N 2.71Å; G41-G44 VanDerWaalsContact O-O 3.04Å
42	T	84	Confident	93.2	Very high	93 Å²	93	39.1 Å²	39.1	57%	0.571	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.7	-178.7	-58.4	0	0	0	0	114.1	K71	T42-K71 HydrophobicContact CG2-CD 4.35Å
43	F	88	Confident	93	Very high	36 Å²	36	43.3 Å²	43.3	16%	0.158	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-0.1	-172.2	-46.7	-73.3	0	0	0	113.7	G41 L63 Q64 I67 I68 K71 E73 I77	G41-F43 PolarHBondContact O-N 3.44Å; G41-F43 VanDerWaalsContact O-N 3.12Å; F43-L63 HydrophobicContact CB-CD2 4.17Å; F43-L63 WeakPolarHBondContact O-CA 3.31Å; F43-Q64 PolarHBondContact O-N 2.93Å; F43-I67 HydrophobicContact CD1-CG2 4.12Å; F43-I68 HydrophobicContact CB-CG1 4.18Å; F43-I68 HydrophobicContact CD1-CG1 4.29Å; F43-I68 HydrophobicContact CG-CG1 4.32Å; F43-K71 HydrophobicContact CD1-CD 4.15Å; F43-K71 HydrophobicContact CE1-CB 4.16Å; F43-K71 HydrophobicContact CE1-CD 3.55Å; F43-K71 HydrophobicContact CE1-CG 4.43Å; F43-E73 HydrophobicContact CE1-CB 3.96Å; F43-E73 HydrophobicContact CE1-CG 3.75Å; F43-E73 HydrophobicContact CZ-CB 3.88Å; F43-E73 HydrophobicContact CZ-CG 3.6Å; F43-I77 HydrophobicContact CD2-CD1 4.37Å
44	G	91.6	Very high	92.8	Very high	14 Å²	14	42.3 Å²	42.3	14%	0.144	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-161.4	-166.2	0	0	0	0	0	115.3	G41 V62	G41-G44 PolarHBondContact N-O 3.25Å; G41-G44 PolarHBondContact O-N 2.71Å; G41-G44 VanDerWaalsContact O-O 3.04Å; G44-V62 WeakPolarHBondContact CA-O 3.48Å
45	K	94.6	Very high	92.7	Very high	40 Å²	40	45.6 Å²	45.6	17%	0.174	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.3	-178.3	-64	-175.1	178.3	-162.4	0	110.3	V37 L47 V62 E326 P329	V37-K45 HydrophobicContact CG1-CD 4.29Å; V37-K45 HydrophobicContact CG2-CD 4.4Å; K45-L47 HydrophobicContact CB-CD1 4.22Å; K45-V62 PolarHBondContact N-O 2.74Å; K45-V62 VanDerWaalsContact N-O 3.07Å; K45-V62 PolarHBondContact O-N 2.75Å; K45-E326 WeakPolarHBondContact CE-OE2 3.47Å; K45-E326 IonicContact NZ-OE1 3.64Å; K45-E326 PolarHBondContact NZ-OE1 3.03Å; K45-E326 IonicContact NZ-OE2 2.66Å; K45-E326 PolarHBondContact NZ-OE2 3.49Å; K45-P329 HydrophobicContact CD-CG 4.25Å
46	V	95.5	Very high	92.7	Very high	36 Å²	36	46.2 Å²	46.2	22%	0.218	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.1	168.5	-168.5	0	0	0	0	107.3	I38 G39 A59 V60 K61	I38-V46 HydrophobicContact CD1-CG1 3.88Å; I38-V46 HydrophobicContact CG1-CB 4.05Å; I38-V46 HydrophobicContact CG1-CG1 3.76Å; I38-V46 WeakPolarHBondContact CG1-O 3.19Å; I38-V46 PolarHBondContact N-O 2.85Å; G39-V46 PolarHBondContact N-O 3.42Å; G39-V46 PolarHBondContact O-N 3.39Å; V46-A59 HydrophobicContact CG1-CB 4.06Å; V46-V60 WeakPolarHBondContact CA-O 3.46Å; V46-K61 HydrophobicContact CG2-CB 4.27Å; V46-K61 HydrophobicContact CG2-CG 4.21Å
47	L	97	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	-178.1	-59.5	101.9	0	0	0	110.4	F34 A36 V37 K45 A49 V60 V62 V328 V332	F34-L47 HydrophobicContact CB-CD2 4.45Å; F34-L47 HydrophobicContact CD1-CB 3.92Å; F34-L47 HydrophobicContact CD1-CD2 4.16Å; F34-L47 HydrophobicContact CD1-CG 4.46Å; A36-L47 CarbonylContact O-C 3.52Å; A36-L47 VanDerWaalsContact O-CA 3.24Å; A36-L47 WeakPolarHBondContact O-CA 3.33Å; V37-L47 HydrophobicContact CG2-CD2 4.34Å; K45-L47 HydrophobicContact CB-CD1 4.22Å; L47-A49 PolarHBondContact O-N 3.09Å; L47-V60 PolarHBondContact N-O 3.14Å; L47-V60 PolarHBondContact O-N 2.94Å; L47-V62 HydrophobicContact CD1-CB 4.03Å; L47-V62 HydrophobicContact CD1-CG2 3.47Å; L47-V62 VanDerWaalsContact CD1-CG2 3.47Å; L47-V328 HydrophobicContact CD2-CG1 3.8Å; L47-V328 HydrophobicContact CD2-CG2 4.42Å; L47-V332 HydrophobicContact CD1-CG1 4.33Å; L47-V332 HydrophobicContact CD1-CG2 4.35Å; L47-V332 HydrophobicContact CD2-CG1 4.43Å; L47-V332 HydrophobicContact CD2-CG2 4.17Å
48	L	97.2	Very high	92.8	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.8	162.6	173.4	59.5	0	0	0	107.9	L35 A36 I38 F57 Y112 T316	L35-L48 HydrophobicContact CB-CD2 4.44Å; L35-L48 HydrophobicContact CB-CG 4.29Å; L35-L48 HydrophobicContact CD1-CD2 4.41Å; L35-L48 HydrophobicContact CD1-CG 4.27Å; L35-L48 PolarHBondContact N-O 2.78Å; A36-L48 HydrophobicContact CB-CB 4.4Å; A36-L48 PolarHBondContact N-O 2.76Å; A36-L48 PolarHBondContact O-N 2.87Å; I38-L48 HydrophobicContact CD1-CB 4.35Å; I38-L48 HydrophobicContact CG2-CB 3.76Å; L48-F57 HydrophobicContact CD1-CB 4.12Å; L48-F57 HydrophobicContact CD1-CD1 4.05Å; L48-Y112 HydrophobicContact CD1-CD1 3.62Å; L48-Y112 HydrophobicContact CD1-CD2 3.8Å; L48-Y112 HydrophobicContact CD1-CE1 3.68Å; L48-Y112 HydrophobicContact CD1-CE2 3.87Å; L48-Y112 HydrophobicContact CD1-CG 3.68Å; L48-Y112 HydrophobicContact CD2-CE1 4.31Å; L48-T316 HydrophobicContact CD2-CG2 3.83Å
49	A	96.8	Very high	92.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.8	177.1	0	0	0	0	0	111.8	F32 D33 F34 L47 F57 Y58 V60	F32-A49 HydrophobicContact CB-CB 4.13Å; F32-A49 HydrophobicContact CD1-CB 4.26Å; D33-A49 CarbonylContact O-C 3.54Å; D33-A49 WeakPolarHBondContact O-CA 3.28Å; F34-A49 HydrophobicContact CD1-CB 3.75Å; F34-A49 HydrophobicContact CE1-CB 4.06Å; F34-A49 HydrophobicContact CG-CB 4.34Å; L47-A49 PolarHBondContact O-N 3.09Å; A49-F57 CarbonylContact O-C 3.58Å; A49-F57 WeakPolarHBondContact O-CA 3.49Å; A49-Y58 PolarHBondContact N-O 3.11Å; A49-Y58 PolarHBondContact O-N 2.82Å; A49-V60 HydrophobicContact CB-CG2 3.66Å
50	K	96.3	Very high	93.1	Very high	56 Å²	56	47.1 Å²	47.1	24%	0.243	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	173.1	-167.6	-173.3	-170.5	-162.1	0	109.3	F32 D33 L35 N55 K56 F57	F32-K50 CarbonylContact C-O 3.5Å; F32-K50 WeakPolarHBondContact CA-O 3.02Å; D33-K50 HydrophobicContact CB-CB 4.4Å; D33-K50 PolarHBondContact N-O 3.42Å; D33-K50 PolarHBondContact O-N 3.43Å; L35-K50 HydrophobicContact CD1-CB 4.33Å; K50-N55 WeakPolarHBondContact CE-O 3.46Å; K50-N55 VanDerWaalsContact CE-OD1 3.25Å; K50-N55 WeakPolarHBondContact CE-OD1 3.41Å; K50-N55 PolarHBondContact NZ-OD1 3.31Å; K50-K56 CarbonylContact C-O 3.5Å; K50-K56 WeakPolarHBondContact CA-O 3.44Å; K50-F57 HydrophobicContact CB-CD1 4.2Å; K50-F57 HydrophobicContact CB-CE1 4.11Å; K50-F57 HydrophobicContact CD-CE1 4.25Å; K50-F57 HydrophobicContact CD-CZ 4.05Å; K50-F57 HydrophobicContact CG-CD1 4.4Å; K50-F57 HydrophobicContact CG-CE1 4.17Å; K50-F57 HydrophobicContact CG-CZ 4.25Å
51	L	93.7	Very high	93.4	Very high	14 Å²	14	42 Å²	42	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.4	173.5	176.4	61.1	0	0	0	109	D31 F32 A53 D54 N55 K56 Y58 Y98	D31-L51 HydrophobicContact CB-CD1 4.12Å; F32-L51 HydrophobicContact CD1-CB 4.08Å; F32-L51 HydrophobicContact CD1-CD1 4.14Å; F32-L51 HydrophobicContact CE1-CB 3.91Å; F32-L51 HydrophobicContact CE1-CD1 3.78Å; F32-L51 HydrophobicContact CE1-CG 4.32Å; F32-L51 HydrophobicContact CE2-CD1 4.27Å; F32-L51 HydrophobicContact CZ-CD1 3.84Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 HydrophobicContact CG-CB 4.27Å; L51-A53 PolarHBondContact O-N 2.78Å; L51-D54 WeakPolarHBondContact CB-OD1 3.4Å; L51-N55 WeakPolarHBondContact O-CA 3.45Å; L51-N55 PolarHBondContact O-N 3.2Å; L51-K56 PolarHBondContact N-O 3.41Å; L51-Y58 HydrophobicContact CB-CD2 3.91Å; L51-Y58 HydrophobicContact CB-CE2 3.58Å; L51-Y58 HydrophobicContact CD2-CE2 4.07Å; L51-Y58 HydrophobicContact CG-CE2 4.48Å; L51-Y98 HydrophobicContact CD2-CE2 4.06Å
52	K	93.2	Very high	93.9	Very high	103 Å²	103	40.1 Å²	40.1	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-32.6	-175.3	-70.2	170.9	-177.8	169.8	0	113.2	T30 D31 D33	T30-K52 PolarHBondContact O-NZ 3.23Å; D31-K52 WeakPolarHBondContact O-CB 3.44Å; D31-K52 VanDerWaalsContact O-CG 3.3Å; D31-K52 WeakPolarHBondContact O-CG 3.48Å; D31-K52 PolarHBondContact O-N 3.43Å; D33-K52 WeakPolarHBondContact OD1-CE 3.43Å; D33-K52 IonicContact OD1-NZ 3.69Å; D33-K52 PolarHBondContact OD1-NZ 3.18Å
53	A	89.3	Confident	94.4	Very high	95 Å²	95	35.9 Å²	35.9	79%	0.785	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-41.7	-174.4	0	0	0	0	0	112.8	L51	L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 HydrophobicContact CG-CB 4.27Å; L51-A53 PolarHBondContact O-N 2.78Å
54	D	90.8	Very high	94.7	Very high	51 Å²	51	38.6 Å²	38.6	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-3.1	-175.3	68.5	-0.6	0	0	0	113.9	L51 K56 Y58	L51-D54 WeakPolarHBondContact CB-OD1 3.4Å; D54-K56 HydrophobicContact CB-CG 4.29Å; D54-K56 PolarHBondContact O-N 3.39Å; D54-K56 WeakPolarHBondContact OD1-CB 3.37Å; D54-K56 PolarHBondContact OD1-N 2.86Å; D54-K56 WeakPolarHBondContact OD2-CD 3.37Å; D54-Y58 PolarHBondContact OD2-OH 2.98Å
55	N	92.4	Very high	94.7	Very high	94 Å²	94	38.1 Å²	38.1	50%	0.503	20%	0.198	S	C	.	.			trans	59.1	17.5	-175.8	-72.2	-74.4	0	0	0	115.2	K50 L51	K50-N55 WeakPolarHBondContact CE-O 3.46Å; K50-N55 VanDerWaalsContact CE-OD1 3.25Å; K50-N55 WeakPolarHBondContact CE-OD1 3.41Å; K50-N55 PolarHBondContact NZ-OD1 3.31Å; L51-N55 WeakPolarHBondContact O-CA 3.45Å; L51-N55 PolarHBondContact O-N 3.2Å
56	K	94.7	Very high	94.6	Very high	97 Å²	97	44.6 Å²	44.6	42%	0.422	23%	0.226	S	C	.	.			trans	-85.5	158.2	177.3	-63	-178.1	-168.1	163.8	0	111.5	K50 L51 D54 Y58 E357	K50-K56 CarbonylContact C-O 3.5Å; K50-K56 WeakPolarHBondContact CA-O 3.44Å; L51-K56 PolarHBondContact N-O 3.41Å; D54-K56 HydrophobicContact CB-CG 4.29Å; D54-K56 PolarHBondContact O-N 3.39Å; D54-K56 WeakPolarHBondContact OD1-CB 3.37Å; D54-K56 PolarHBondContact OD1-N 2.86Å; D54-K56 WeakPolarHBondContact OD2-CD 3.37Å; K56-Y58 HydrophobicContact CB-CE2 3.69Å; K56-E357 IonicContact NZ-OE1 3.96Å; K56-E357 PolarHBondContact NZ-OE1 2.88Å
57	F	96.4	Very high	94.4	Very high	53 Å²	53	45.4 Å²	45.4	23%	0.232	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.6	-178.9	-65.3	-94	0	0	0	111	L35 L48 A49 K50 Y112 P313 A314	L35-F57 HydrophobicContact CD1-CD1 3.91Å; L35-F57 HydrophobicContact CD1-CE1 3.51Å; L48-F57 HydrophobicContact CD1-CB 4.12Å; L48-F57 HydrophobicContact CD1-CD1 4.05Å; A49-F57 CarbonylContact O-C 3.58Å; A49-F57 WeakPolarHBondContact O-CA 3.49Å; K50-F57 HydrophobicContact CB-CD1 4.2Å; K50-F57 HydrophobicContact CB-CE1 4.11Å; K50-F57 HydrophobicContact CD-CE1 4.25Å; K50-F57 HydrophobicContact CD-CZ 4.05Å; K50-F57 HydrophobicContact CG-CD1 4.4Å; K50-F57 HydrophobicContact CG-CE1 4.17Å; K50-F57 HydrophobicContact CG-CZ 4.25Å; F57-Y112 HydrophobicContact CB-CD1 4.23Å; F57-P313 HydrophobicContact CD2-CB 3.69Å; F57-P313 HydrophobicContact CE2-CB 4.03Å; F57-A314 HydrophobicContact CD1-CB 3.88Å; F57-A314 HydrophobicContact CE1-CB 3.4Å; F57-A314 HydrophobicContact CE2-CB 4.35Å; F57-A314 HydrophobicContact CZ-CB 3.68Å
58	Y	96.9	Very high	94.2	Very high	8 Å²	8	45.4 Å²	45.4	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.9	-174.2	-63.9	-84	0	0	0	111.3	F32 A49 L51 D54 K56 H97 V109 L110	F32-Y58 HydrophobicContact CE1-CD2 4.47Å; A49-Y58 PolarHBondContact N-O 3.11Å; A49-Y58 PolarHBondContact O-N 2.82Å; L51-Y58 HydrophobicContact CB-CD2 3.91Å; L51-Y58 HydrophobicContact CB-CE2 3.58Å; L51-Y58 HydrophobicContact CD2-CE2 4.07Å; L51-Y58 HydrophobicContact CG-CE2 4.48Å; D54-Y58 PolarHBondContact OD2-OH 2.98Å; K56-Y58 HydrophobicContact CB-CE2 3.69Å; Y58-H97 AromaticContact CD1-CD2 3.9Å; Y58-H97 HydrophobicContact CE1-CB 4.14Å; Y58-H97 AromaticContact CE1-CD2 3.63Å; Y58-H97 AromaticContact CE1-CE1 4Å; Y58-H97 AromaticContact CE1-CG 3.63Å; Y58-H97 AromaticContact CE1-ND1 3.9Å; Y58-H97 AromaticContact CE1-NE2 3.86Å; Y58-V109 HydrophobicContact CD1-CG1 3.64Å; Y58-V109 HydrophobicContact CD2-CG1 4.37Å; Y58-V109 HydrophobicContact CE1-CG1 4.39Å; Y58-V109 HydrophobicContact CG-CG1 3.61Å; Y58-L110 WeakPolarHBondContact CA-O 3.14Å
59	A	97.1	Very high	93.9	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.4	164.8	0	0	0	0	0	108.8	I38 V46 L110 D111 Y112	I38-A59 HydrophobicContact CD1-CB 3.97Å; V46-A59 HydrophobicContact CG1-CB 4.06Å; A59-L110 HydrophobicContact CB-CB 4.42Å; A59-L110 PolarHBondContact N-O 2.98Å; A59-L110 PolarHBondContact O-N 2.86Å; A59-D111 WeakPolarHBondContact CB-O 3.33Å; A59-Y112 HydrophobicContact CB-CD2 4.41Å
60	V	96.4	Very high	93.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	105.4	-179.5	-171.8	0	0	0	0	110	F32 F34 V46 L47 A49 V62 Y107 F108 V109	F32-V60 HydrophobicContact CD1-CG2 4.41Å; F34-V60 HydrophobicContact CE1-CB 4.06Å; F34-V60 HydrophobicContact CE1-CG1 4.02Å; F34-V60 HydrophobicContact CE1-CG2 4.29Å; V46-V60 WeakPolarHBondContact CA-O 3.46Å; L47-V60 PolarHBondContact N-O 3.14Å; L47-V60 PolarHBondContact O-N 2.94Å; A49-V60 HydrophobicContact CB-CG2 3.66Å; V60-V62 HydrophobicContact CG1-CG2 3.85Å; V60-V62 PolarHBondContact O-N 3.22Å; V60-Y107 HydrophobicContact CG1-CD1 3.96Å; V60-F108 CarbonylContact C-O 3.58Å; V60-F108 VanDerWaalsContact CA-O 3.27Å; V60-F108 WeakPolarHBondContact CA-O 3.41Å; V60-V109 HydrophobicContact CG1-CG2 4.39Å; V60-V109 HydrophobicContact CG2-CG1 4.32Å; V60-V109 HydrophobicContact CG2-CG2 4.34Å
61	K	95.7	Very high	93.4	Very high	32 Å²	32	59.7 Å²	59.7	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109.9	173.4	-175.4	176.5	-176.3	177.6	0	108.8	V46 L63 E80 Y107 F108 D174	V46-K61 HydrophobicContact CG2-CB 4.27Å; V46-K61 HydrophobicContact CG2-CG 4.21Å; K61-L63 HydrophobicContact CD-CD2 4.37Å; K61-L63 HydrophobicContact CG-CD2 3.75Å; K61-L63 HydrophobicContact CG-CG 4.3Å; K61-E80 IonicContact NZ-OE1 3.41Å; K61-E80 PolarHBondContact NZ-OE1 3.24Å; K61-E80 IonicContact NZ-OE2 2.7Å; K61-E80 PolarHBondContact NZ-OE2 3.12Å; K61-Y107 WeakPolarHBondContact O-CA 3.22Å; K61-F108 HydrophobicContact CB-CB 4.2Å; K61-F108 PolarHBondContact N-O 3.5Å; K61-F108 PolarHBondContact O-N 2.7Å; K61-D174 IonicContact NZ-OD1 3.68Å
62	V	95.3	Very high	93.3	Very high	8 Å²	8	67.2 Å²	67.2	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.3	-176.9	-174.7	0	0	0	0	109.8	G44 K45 L47 V60 K105 L106 Y107 V332	G44-V62 WeakPolarHBondContact CA-O 3.48Å; K45-V62 PolarHBondContact N-O 2.74Å; K45-V62 VanDerWaalsContact N-O 3.07Å; K45-V62 PolarHBondContact O-N 2.75Å; L47-V62 HydrophobicContact CD1-CB 4.03Å; L47-V62 HydrophobicContact CD1-CG2 3.47Å; L47-V62 VanDerWaalsContact CD1-CG2 3.47Å; V60-V62 HydrophobicContact CG1-CG2 3.85Å; V60-V62 PolarHBondContact O-N 3.22Å; V62-K105 HydrophobicContact CG1-CB 4.33Å; V62-K105 HydrophobicContact CG1-CD 3.85Å; V62-K105 HydrophobicContact CG1-CG 4.41Å; V62-L106 WeakPolarHBondContact CA-O 3.14Å; V62-Y107 HydrophobicContact CB-CD1 4.4Å; V62-Y107 HydrophobicContact CB-CE1 4.3Å; V62-Y107 HydrophobicContact CG1-CD1 4.16Å; V62-Y107 HydrophobicContact CG1-CE1 3.69Å; V62-Y107 HydrophobicContact CG2-CD1 3.63Å; V62-Y107 HydrophobicContact CG2-CE1 3.67Å; V62-V332 HydrophobicContact CG2-CG1 4.11Å
63	L	94.8	Very high	93.2	Very high	3 Å²	3	65.2 Å²	65.2	2%	0.016	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	144	-175.4	-48.7	-177.8	0	0	0	111.8	F43 K61 I68 I77 K105 L106 F108	F43-L63 HydrophobicContact CB-CD2 4.17Å; F43-L63 WeakPolarHBondContact O-CA 3.31Å; K61-L63 HydrophobicContact CD-CD2 4.37Å; K61-L63 HydrophobicContact CG-CD2 3.75Å; K61-L63 HydrophobicContact CG-CG 4.3Å; L63-I68 HydrophobicContact CB-CD1 3.9Å; L63-I68 HydrophobicContact CD1-CD1 4.36Å; L63-I77 HydrophobicContact CD1-CD1 3.71Å; L63-I77 HydrophobicContact CD1-CG1 4.44Å; L63-I77 HydrophobicContact CD1-CG2 4.25Å; L63-K105 CarbonylContact O-C 3.54Å; L63-K105 WeakPolarHBondContact O-CA 3.38Å; L63-K105 WeakPolarHBondContact O-CB 3.12Å; L63-L106 HydrophobicContact CB-CB 4.35Å; L63-L106 PolarHBondContact N-O 3.14Å; L63-L106 PolarHBondContact O-N 3.49Å; L63-F108 HydrophobicContact CD1-CD2 4.31Å; L63-F108 HydrophobicContact CD1-CE2 3.8Å
64	Q	92.8	Very high	93.2	Very high	94 Å²	94	61.5 Å²	61.5	44%	0.439	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.8	179.7	-61.6	-177	40.2	0	0	111.6	F43 K66 I67 I68	F43-Q64 PolarHBondContact O-N 2.93Å; Q64-K66 VanDerWaalsContact C-N 3.27Å; Q64-K66 PolarHBondContact O-N 3.49Å; Q64-I67 HydrophobicContact CB-CB 4.31Å; Q64-I67 HydrophobicContact CB-CD1 3.89Å; Q64-I67 HydrophobicContact CB-CG1 3.89Å; Q64-I67 HydrophobicContact CG-CD1 4.22Å; Q64-I67 PolarHBondContact O-N 2.89Å; Q64-I68 WeakPolarHBondContact O-CG1 3.34Å; Q64-I68 PolarHBondContact O-N 3.16Å; Q64-I68 VanDerWaalsContact O-N 3.15Å
65	K	92.9	Very high	93.1	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-54.7	-42.1	-179.3	-71.6	-178.5	171.2	-178.1	0	112.4	I67 I68 L69 Q101 T102 E104 L106 F348	K65-I67 VanDerWaalsContact C-N 3.28Å; K65-I67 PolarHBondContact O-N 3.48Å; K65-I68 PolarHBondContact O-N 3.47Å; K65-L69 WeakPolarHBondContact O-CB 3.44Å; K65-L69 WeakPolarHBondContact O-CG 3.44Å; K65-L69 PolarHBondContact O-N 2.91Å; K65-Q101 VanDerWaalsContact CE-OE1 3.29Å; K65-T102 VanDerWaalsContact CE-O 3.32Å; K65-T102 WeakPolarHBondContact CE-O 3.49Å; K65-T102 PolarHBondContact NZ-O 3.35Å; K65-E104 WeakPolarHBondContact CB-O 3.47Å; K65-E104 WeakPolarHBondContact CG-O 3.45Å; K65-E104 PolarHBondContact N-O 3.25Å; K65-L106 HydrophobicContact CD-CD2 4.47Å; K65-L106 VanDerWaalsContact CE-CD2 3.45Å; K65-L106 HydrophobicContact CG-CD2 4.25Å; K65-L106 HydrophobicContact CG-CG 4.09Å; K65-F348 HydrophobicContact CB-CE2 4.03Å; K65-F348 HydrophobicContact CD-CD2 3.91Å; K65-F348 HydrophobicContact CD-CE2 4.04Å; K65-F348 HydrophobicContact CG-CD2 4.03Å; K65-F348 HydrophobicContact CG-CE2 3.73Å; K65-F348 HydrophobicContact CG-CZ 4.42Å
66	K	91.4	Very high	92.9	Very high	176 Å²	176	63.8 Å²	63.8	77%	0.765	29%	0.291	S	S	*	.	H	α-helix	trans	-57.8	-39.2	178.8	-172.5	177.4	-178.4	177.2	0	112.6	Q64 K70	Q64-K66 VanDerWaalsContact C-N 3.27Å; Q64-K66 PolarHBondContact O-N 3.49Å; K66-K70 VanDerWaalsContact O-CB 3.29Å; K66-K70 WeakPolarHBondContact O-CB 3.15Å; K66-K70 PolarHBondContact O-N 2.81Å; K66-K70 VanDerWaalsContact O-N 3.12Å
67	I	92.6	Very high	92.8	Very high	53 Å²	53	59.5 Å²	59.5	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-73.6	-43.4	179.7	-56.1	-179.1	0	0	0	110.1	F43 Q64 K65 K70 K71	F43-I67 HydrophobicContact CD1-CG2 4.12Å; Q64-I67 HydrophobicContact CB-CB 4.31Å; Q64-I67 HydrophobicContact CB-CD1 3.89Å; Q64-I67 HydrophobicContact CB-CG1 3.89Å; Q64-I67 HydrophobicContact CG-CD1 4.22Å; Q64-I67 PolarHBondContact O-N 2.89Å; K65-I67 VanDerWaalsContact C-N 3.28Å; K65-I67 PolarHBondContact O-N 3.48Å; I67-K70 PolarHBondContact O-N 3.44Å; I67-K71 HydrophobicContact CG2-CD 4.36Å; I67-K71 PolarHBondContact O-N 2.76Å
68	I	92.6	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-50.3	178	-61.4	165.6	0	0	0	110.5	F43 L63 Q64 K65 K71 K72 E73 Q74 I77 L106 F348	F43-I68 HydrophobicContact CB-CG1 4.18Å; F43-I68 HydrophobicContact CD1-CG1 4.29Å; F43-I68 HydrophobicContact CG-CG1 4.32Å; L63-I68 HydrophobicContact CB-CD1 3.9Å; L63-I68 HydrophobicContact CD1-CD1 4.36Å; Q64-I68 WeakPolarHBondContact O-CG1 3.34Å; Q64-I68 PolarHBondContact O-N 3.16Å; Q64-I68 VanDerWaalsContact O-N 3.15Å; K65-I68 PolarHBondContact O-N 3.47Å; I68-K71 CarbonylContact O-C 3.51Å; I68-K71 PolarHBondContact O-N 3.17Å; I68-K72 PolarHBondContact O-N 3.41Å; I68-E73 HydrophobicContact CG2-CB 4.14Å; I68-E73 PolarHBondContact O-N 2.9Å; I68-Q74 HydrophobicContact CG2-CB 4.4Å; I68-I77 HydrophobicContact CD1-CG1 4.17Å; I68-I77 HydrophobicContact CG1-CG1 4.38Å; I68-I77 HydrophobicContact CG2-CG1 4.06Å; I68-L106 HydrophobicContact CD1-CD1 3.76Å; I68-L106 HydrophobicContact CD1-CG 4.49Å; I68-F348 HydrophobicContact CB-CZ 4.27Å; I68-F348 HydrophobicContact CD1-CZ 4.4Å; I68-F348 HydrophobicContact CG2-CE1 4.1Å; I68-F348 HydrophobicContact CG2-CZ 3.87Å
69	L	90.7	Very high	92	Very high	63 Å²	63	58.1 Å²	58.1	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-41.9	-179.8	-67.7	173.5	0	0	0	111.8	K65 K71 K72 A344 A347 F348	K65-L69 WeakPolarHBondContact O-CB 3.44Å; K65-L69 WeakPolarHBondContact O-CG 3.44Å; K65-L69 PolarHBondContact O-N 2.91Å; L69-K71 PolarHBondContact O-N 3.17Å; L69-K72 PolarHBondContact O-N 2.88Å; L69-K72 VanDerWaalsContact O-N 3.12Å; L69-A344 HydrophobicContact CD1-CB 4.48Å; L69-A347 HydrophobicContact CD2-CB 4.13Å; L69-F348 HydrophobicContact CD1-CE2 4.46Å; L69-F348 HydrophobicContact CD2-CE2 4.14Å; L69-F348 HydrophobicContact CD2-CZ 4.17Å; L69-F348 HydrophobicContact CG-CE2 4.22Å; L69-F348 HydrophobicContact CG-CZ 4.34Å
70	K	91.5	Very high	91.8	Very high	186 Å²	186	58 Å²	58	81%	0.809	27%	0.27	S	S	*	.	H	α-helix	trans	-59.8	-36.6	175.6	-176.7	179.1	177.9	-177.2	0	112.1	K66 I67	K66-K70 VanDerWaalsContact O-CB 3.29Å; K66-K70 WeakPolarHBondContact O-CB 3.15Å; K66-K70 PolarHBondContact O-N 2.81Å; K66-K70 VanDerWaalsContact O-N 3.12Å; I67-K70 PolarHBondContact O-N 3.44Å
71	K	91	Very high	91.6	Very high	109 Å²	109	58.9 Å²	58.9	47%	0.474	27%	0.274	S	S	.	.	H	α-helix	trans	-87.9	-5	178.5	-71.1	-172.5	165.1	-165.1	0	114	T42 F43 I67 I68 L69 E73	T42-K71 HydrophobicContact CG2-CD 4.35Å; F43-K71 HydrophobicContact CD1-CD 4.15Å; F43-K71 HydrophobicContact CE1-CB 4.16Å; F43-K71 HydrophobicContact CE1-CD 3.55Å; F43-K71 HydrophobicContact CE1-CG 4.43Å; I67-K71 HydrophobicContact CG2-CD 4.36Å; I67-K71 PolarHBondContact O-N 2.76Å; I68-K71 CarbonylContact O-C 3.51Å; I68-K71 PolarHBondContact O-N 3.17Å; L69-K71 PolarHBondContact O-N 3.17Å; K71-E73 VanDerWaalsContact C-N 3.3Å; K71-E73 HydrophobicContact CB-CG 3.82Å; K71-E73 PolarHBondContact O-N 3.15Å
72	K	91.4	Very high	91.2	Very high	173 Å²	173	59.2 Å²	59.2	75%	0.752	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	33.4	-176.5	-54.5	-178.2	179	-178.8	0	114.1	I68 L69	I68-K72 PolarHBondContact O-N 3.41Å; L69-K72 PolarHBondContact O-N 2.88Å; L69-K72 VanDerWaalsContact O-N 3.12Å
73	E	90.3	Very high	91	Very high	61 Å²	61	58.9 Å²	58.9	29%	0.285	28%	0.275	S	S	.	.			trans	-96.9	10	-173.3	-70.9	-71.1	147.3	0	0	113.6	F43 I68 K71 K75 N76 I77	F43-E73 HydrophobicContact CE1-CB 3.96Å; F43-E73 HydrophobicContact CE1-CG 3.75Å; F43-E73 HydrophobicContact CZ-CB 3.88Å; F43-E73 HydrophobicContact CZ-CG 3.6Å; I68-E73 HydrophobicContact CG2-CB 4.14Å; I68-E73 PolarHBondContact O-N 2.9Å; K71-E73 VanDerWaalsContact C-N 3.3Å; K71-E73 HydrophobicContact CB-CG 3.82Å; K71-E73 PolarHBondContact O-N 3.15Å; E73-K75 PolarHBondContact O-N 3.47Å; E73-N76 PolarHBondContact O-N 3.46Å; E73-N76 PolarHBondContact OE2-ND2 3.48Å; E73-I77 WeakPolarHBondContact O-CG1 3.3Å; E73-I77 PolarHBondContact O-N 2.7Å; E73-I77 VanDerWaalsContact O-N 3.09Å
74	Q	90.2	Very high	90.8	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-56.3	-46.5	-177.6	174.8	-168.5	-23.5	0	0	112.6	I68 N76 I77 M78 A347 F348	I68-Q74 HydrophobicContact CG2-CB 4.4Å; Q74-N76 VanDerWaalsContact C-N 3.28Å; Q74-N76 PolarHBondContact O-N 3.19Å; Q74-I77 PolarHBondContact O-N 2.71Å; Q74-M78 VanDerWaalsContact O-CG 3.29Å; Q74-M78 WeakPolarHBondContact O-CG 3.45Å; Q74-M78 PolarHBondContact O-N 3.26Å; Q74-A347 PolarHBondContact NE2-O 2.68Å; Q74-F348 HydrophobicContact CB-CE1 4.12Å; Q74-F348 HydrophobicContact CB-CZ 4.36Å; Q74-F348 HydrophobicContact CG-CD1 4.17Å; Q74-F348 HydrophobicContact CG-CE1 3.74Å; Q74-F348 HydrophobicContact CG-CZ 4.19Å
75	K	88.5	Confident	90.5	Very high	116 Å²	116	56.2 Å²	56.2	50%	0.504	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-39.2	-179.9	-70	-176.6	179	-177	0	111.3	D15 V17 E73 M78 A79	D15-K75 IonicContact OD2-NZ 3.83Å; D15-K75 PolarHBondContact OD2-NZ 3.05Å; V17-K75 HydrophobicContact CG2-CG 3.73Å; E73-K75 PolarHBondContact O-N 3.47Å; K75-M78 PolarHBondContact O-N 3.18Å; K75-A79 WeakPolarHBondContact O-CB 3.18Å; K75-A79 PolarHBondContact O-N 2.71Å
76	N	88.3	Confident	90	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-69.7	-42	179.6	-65.5	-17	0	0	0	111.9	E73 Q74 M78 A79 E80	E73-N76 PolarHBondContact O-N 3.46Å; E73-N76 PolarHBondContact OE2-ND2 3.48Å; Q74-N76 VanDerWaalsContact C-N 3.28Å; Q74-N76 PolarHBondContact O-N 3.19Å; N76-M78 VanDerWaalsContact C-N 3.33Å; N76-M78 PolarHBondContact O-N 3.26Å; N76-A79 PolarHBondContact O-N 3.43Å; N76-E80 PolarHBondContact O-N 3.14Å
77	I	91.6	Very high	89.1	Confident	6 Å²	6	53 Å²	53	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-38	175.7	-63.1	-57.3	0	0	0	112.2	F43 L63 I68 E73 Q74 R81 L106 F108 F351	F43-I77 HydrophobicContact CD2-CD1 4.37Å; L63-I77 HydrophobicContact CD1-CD1 3.71Å; L63-I77 HydrophobicContact CD1-CG1 4.44Å; L63-I77 HydrophobicContact CD1-CG2 4.25Å; I68-I77 HydrophobicContact CD1-CG1 4.17Å; I68-I77 HydrophobicContact CG1-CG1 4.38Å; I68-I77 HydrophobicContact CG2-CG1 4.06Å; E73-I77 WeakPolarHBondContact O-CG1 3.3Å; E73-I77 PolarHBondContact O-N 2.7Å; E73-I77 VanDerWaalsContact O-N 3.09Å; Q74-I77 PolarHBondContact O-N 2.71Å; I77-R81 PolarHBondContact O-N 3.23Å; I77-R81 VanDerWaalsContact O-N 3.13Å; I77-L106 HydrophobicContact CG2-CD1 3.73Å; I77-F108 HydrophobicContact CG2-CE2 4.17Å; I77-F108 HydrophobicContact CG2-CZ 4.09Å; I77-F351 HydrophobicContact CG2-CE2 4.16Å
78	M	89.5	Confident	87.8	Confident	2 Å²	2	52 Å²	52	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-70.6	-35.1	176.6	-64.7	-63.1	-89.6	0	0	111.7	V17 L19 Q74 K75 N76 N82 F348 N349 F351	V17-M78 HydrophobicContact CB-CG 4.38Å; V17-M78 HydrophobicContact CG1-CB 4.12Å; V17-M78 HydrophobicContact CG1-CE 4.35Å; V17-M78 HydrophobicContact CG1-CG 4.2Å; L19-M78 HydrophobicContact CB-CE 4.35Å; L19-M78 HydrophobicContact CD1-CB 4.29Å; L19-M78 HydrophobicContact CD1-CE 3.26Å; L19-M78 HydrophobicContact CD1-SD 4.12Å; L19-M78 HydrophobicContact CG-CE 3.53Å; Q74-M78 VanDerWaalsContact O-CG 3.29Å; Q74-M78 WeakPolarHBondContact O-CG 3.45Å; Q74-M78 PolarHBondContact O-N 3.26Å; K75-M78 PolarHBondContact O-N 3.18Å; N76-M78 VanDerWaalsContact C-N 3.33Å; N76-M78 PolarHBondContact O-N 3.26Å; M78-N82 VanDerWaalsContact O-CG 3.25Å; M78-N82 PolarHBondContact O-N 2.96Å; M78-N82 VanDerWaalsContact O-N 3.09Å; M78-N82 PolarHBondContact O-ND2 3.32Å; M78-F348 HydrophobicContact SD-CD1 4.17Å; M78-N349 VanDerWaalsContact CE-O 3.24Å; M78-N349 WeakPolarHBondContact CE-O 3.47Å; M78-F351 HydrophobicContact CE-CB 4.45Å; M78-F351 HydrophobicContact SD-CB 4.19Å; M78-F351 HydrophobicContact SD-CD2 3.8Å
79	A	88.5	Confident	87.3	Confident	31 Å²	31	59.1 Å²	59.1	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-45.3	172.3	0	0	0	0	0	112	K75 N76 R81 N82 V83	K75-A79 WeakPolarHBondContact O-CB 3.18Å; K75-A79 PolarHBondContact O-N 2.71Å; N76-A79 PolarHBondContact O-N 3.43Å; A79-R81 VanDerWaalsContact C-N 3.27Å; A79-R81 PolarHBondContact O-N 2.88Å; A79-N82 PolarHBondContact O-N 3.17Å; A79-V83 WeakPolarHBondContact O-CG2 3.49Å; A79-V83 PolarHBondContact O-N 2.92Å
80	E	92	Very high	87.5	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-53.1	-47.2	174.4	-178.8	-178.9	-177.4	0	0	110.7	K61 N76 N82 V83 L84 F175	K61-E80 IonicContact NZ-OE1 3.41Å; K61-E80 PolarHBondContact NZ-OE1 3.24Å; K61-E80 IonicContact NZ-OE2 2.7Å; K61-E80 PolarHBondContact NZ-OE2 3.12Å; N76-E80 PolarHBondContact O-N 3.14Å; E80-N82 PolarHBondContact O-N 3.06Å; E80-V83 PolarHBondContact O-N 3.28Å; E80-L84 HydrophobicContact CG-CD1 4.12Å; E80-L84 WeakPolarHBondContact O-CB 3.45Å; E80-L84 WeakPolarHBondContact O-CG 3.3Å; E80-L84 PolarHBondContact O-N 3.36Å; E80-F175 HydrophobicContact CG-CB 4.3Å
81	R	91.1	Very high	87.7	Confident	18 Å²	18	49.6 Å²	49.6	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-57.8	-48.8	174.7	-175.9	-169.1	165.6	-104.6	13.5	112.2	I77 A79 V83 L84 L85 L96 S99 F108 G350 F351 S352	I77-R81 PolarHBondContact O-N 3.23Å; I77-R81 VanDerWaalsContact O-N 3.13Å; A79-R81 VanDerWaalsContact C-N 3.27Å; A79-R81 PolarHBondContact O-N 2.88Å; R81-V83 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.24Å; R81-L84 WeakPolarHBondContact O-CB 3.36Å; R81-L84 PolarHBondContact O-N 3.39Å; R81-L85 HydrophobicContact CG-CD1 4.37Å; R81-L85 WeakPolarHBondContact O-CG 3.35Å; R81-L85 PolarHBondContact O-N 3.27Å; R81-L96 HydrophobicContact CG-CD2 4.36Å; R81-S99 PolarHBondContact NE-OG 3.3Å; R81-S99 VanDerWaalsContact NE-OG 3.13Å; R81-F108 HydrophobicContact CB-CE1 3.67Å; R81-F108 HydrophobicContact CB-CZ 4.12Å; R81-F108 HydrophobicContact CG-CE1 4.07Å; R81-G350 PolarHBondContact NH1-O 3.35Å; R81-G350 PolarHBondContact NH2-O 3.48Å; R81-F351 HydrophobicContact CB-CE2 4.4Å; R81-F351 WeakPolarHBondContact CD-O 3.5Å; R81-F351 PolarHBondContact NE-O 3.47Å; R81-S352 PolarHBondContact NH2-O 3.42Å
82	N	89.2	Confident	88	Confident	38 Å²	38	44.4 Å²	44.4	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-64.6	-39.8	-176.6	-71.4	-17.4	0	0	0	112.2	L19 M78 A79 E80 L85 K86 E180	L19-N82 WeakPolarHBondContact CD1-OD1 3.25Å; M78-N82 VanDerWaalsContact O-CG 3.25Å; M78-N82 PolarHBondContact O-N 2.96Å; M78-N82 VanDerWaalsContact O-N 3.09Å; M78-N82 PolarHBondContact O-ND2 3.32Å; A79-N82 PolarHBondContact O-N 3.17Å; E80-N82 PolarHBondContact O-N 3.06Å; N82-L85 PolarHBondContact O-N 2.88Å; N82-K86 WeakPolarHBondContact O-CG 3.37Å; N82-K86 PolarHBondContact O-N 2.88Å; N82-K86 VanDerWaalsContact O-N 3.11Å; N82-E180 VanDerWaalsContact CB-OE2 3.32Å; N82-E180 WeakPolarHBondContact CB-OE2 3.45Å
83	V	90.1	Very high	88.3	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-50.8	172.2	171.5	0	0	0	0	110.2	A79 E80 R81 L85 K86 S87 I152 F175 C178 E180	A79-V83 WeakPolarHBondContact O-CG2 3.49Å; A79-V83 PolarHBondContact O-N 2.92Å; E80-V83 PolarHBondContact O-N 3.28Å; R81-V83 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.24Å; V83-L85 PolarHBondContact O-N 3.21Å; V83-K86 PolarHBondContact O-N 3.48Å; V83-S87 WeakPolarHBondContact O-CB 3.26Å; V83-S87 PolarHBondContact O-N 3.1Å; V83-S87 PolarHBondContact O-OG 3.19Å; V83-S87 VanDerWaalsContact O-OG 3.07Å; V83-I152 HydrophobicContact CG1-CD1 4.26Å; V83-I152 HydrophobicContact CG1-CG2 4.11Å; V83-I152 HydrophobicContact CG2-CD1 4.44Å; V83-I152 HydrophobicContact CG2-CG2 4.25Å; V83-F175 HydrophobicContact CG1-CB 3.96Å; V83-F175 HydrophobicContact CG1-CD1 3.48Å; V83-F175 VanDerWaalsContact CG1-CD1 3.48Å; V83-F175 HydrophobicContact CG1-CE1 4.38Å; V83-F175 HydrophobicContact CG1-CG 4.05Å; V83-C178 HydrophobicContact CB-CB 4.39Å; V83-C178 HydrophobicContact CG1-CB 4.02Å; V83-C178 HydrophobicContact CG2-CB 3.81Å; V83-E180 HydrophobicContact CG2-CG 3.36Å
84	L	90.9	Very high	88.5	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-29.9	178.2	-77.5	170.9	0	0	0	113.7	E80 R81 S87 L88 V94 L96 F108 L110 F175	E80-L84 HydrophobicContact CG-CD1 4.12Å; E80-L84 WeakPolarHBondContact O-CB 3.45Å; E80-L84 WeakPolarHBondContact O-CG 3.3Å; E80-L84 PolarHBondContact O-N 3.36Å; R81-L84 WeakPolarHBondContact O-CB 3.36Å; R81-L84 PolarHBondContact O-N 3.39Å; L84-S87 WeakPolarHBondContact CA-OG 3.12Å; L84-S87 PolarHBondContact O-OG 3.1Å; L84-L88 VanDerWaalsContact O-CD2 3.25Å; L84-L88 WeakPolarHBondContact O-CD2 3.44Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-V94 HydrophobicContact CD2-CG1 3.81Å; L84-L96 HydrophobicContact CB-CB 3.89Å; L84-L96 HydrophobicContact CB-CD2 3.84Å; L84-L96 HydrophobicContact CB-CG 4.46Å; L84-L96 HydrophobicContact CD1-CD2 4.49Å; L84-F108 HydrophobicContact CD1-CD1 3.94Å; L84-F108 HydrophobicContact CD1-CE1 4.09Å; L84-L110 HydrophobicContact CD1-CD2 4.09Å; L84-L110 HydrophobicContact CD2-CD2 4.3Å; L84-F175 HydrophobicContact CD2-CB 4.48Å; L84-F175 HydrophobicContact CD2-CD2 3.54Å; L84-F175 HydrophobicContact CD2-CE2 4.02Å; L84-F175 HydrophobicContact CD2-CG 4.07Å; L84-F175 HydrophobicContact CG-CB 4.37Å; L84-F175 HydrophobicContact CG-CD2 4.33Å; L84-F175 HydrophobicContact CG-CG 4.44Å
85	L	86.8	Confident	88.6	Confident	40 Å²	40	35.6 Å²	35.6	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-75.3	-32.6	174.3	-69.3	176.5	0	0	0	113.1	R81 N82 V83 L88 L96 F353	R81-L85 HydrophobicContact CG-CD1 4.37Å; R81-L85 WeakPolarHBondContact O-CG 3.35Å; R81-L85 PolarHBondContact O-N 3.27Å; N82-L85 PolarHBondContact O-N 2.88Å; V83-L85 PolarHBondContact O-N 3.21Å; L85-L88 WeakPolarHBondContact O-CD1 3.18Å; L85-L88 VanDerWaalsContact O-CG 3.28Å; L85-L88 WeakPolarHBondContact O-CG 3.38Å; L85-L96 HydrophobicContact CD2-CD2 3.91Å; L85-L96 HydrophobicContact CG-CD2 4.25Å; L85-F353 HydrophobicContact CD1-CD2 4.46Å; L85-F353 HydrophobicContact CD2-CB 4.15Å; L85-F353 HydrophobicContact CD2-CD1 3.23Å; L85-F353 HydrophobicContact CD2-CD2 3.55Å; L85-F353 HydrophobicContact CD2-CE1 3.28Å; L85-F353 HydrophobicContact CD2-CE2 3.62Å; L85-F353 HydrophobicContact CD2-CG 3.36Å; L85-F353 HydrophobicContact CD2-CZ 3.48Å; L85-F353 VanDerWaalsContact CD2-CZ 3.48Å
86	K	81.8	Confident	88.9	Confident	113 Å²	113	30.1 Å²	30.1	49%	0.491	15%	0.149	S	C	.	.	H	α-helix	trans	-82	-31.8	178.8	-70.1	176.3	179.9	176.9	0	112.2	N82 V83 L88 I152 E180	N82-K86 WeakPolarHBondContact O-CG 3.37Å; N82-K86 PolarHBondContact O-N 2.88Å; N82-K86 VanDerWaalsContact O-N 3.11Å; V83-K86 PolarHBondContact O-N 3.48Å; K86-L88 PolarHBondContact O-N 2.96Å; K86-I152 HydrophobicContact CB-CD1 4.32Å; K86-I152 HydrophobicContact CD-CD1 4.42Å; K86-E180 WeakPolarHBondContact CD-OE1 3.2Å; K86-E180 VanDerWaalsContact CE-OE1 3.26Å; K86-E180 WeakPolarHBondContact CE-OE1 3.41Å; K86-E180 IonicContact NZ-OE1 3.02Å; K86-E180 PolarHBondContact NZ-OE1 3.27Å
87	S	72.4	Confident	88.9	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.007	14%	0.136	C	C	.	.	S	Bend	trans	-77.8	2.1	-175.5	60.6	0	0	0	0	114.8	V83 L84 K89	V83-S87 WeakPolarHBondContact O-CB 3.26Å; V83-S87 PolarHBondContact O-N 3.1Å; V83-S87 PolarHBondContact O-OG 3.19Å; V83-S87 VanDerWaalsContact O-OG 3.07Å; L84-S87 WeakPolarHBondContact CA-OG 3.12Å; L84-S87 PolarHBondContact O-OG 3.1Å; S87-K89 PolarHBondContact O-N 3.34Å
88	L	65.8	Low	88.7	Confident	30 Å²	30	29.9 Å²	29.9	16%	0.157	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-3.5	-169.4	-65.9	175.1	0	0	0	116.7	L84 L85 K86 R95 L96 F353	L84-L88 VanDerWaalsContact O-CD2 3.25Å; L84-L88 WeakPolarHBondContact O-CD2 3.44Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L85-L88 WeakPolarHBondContact O-CD1 3.18Å; L85-L88 VanDerWaalsContact O-CG 3.28Å; L85-L88 WeakPolarHBondContact O-CG 3.38Å; K86-L88 PolarHBondContact O-N 2.96Å; L88-R95 HydrophobicContact CD2-CG 3.66Å; L88-L96 HydrophobicContact CD2-CB 4.27Å; L88-L96 WeakPolarHBondContact CD2-O 3.23Å; L88-F353 HydrophobicContact CD1-CE1 4.49Å; L88-F353 HydrophobicContact CD1-CZ 4.32Å
89	K	81.4	Confident	88.8	Confident	150 Å²	150	29.8 Å²	29.8	65%	0.652	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	12.5	-171.5	-52.2	-173.1	175.8	-171	0	114.9	S87 Y146 Y298	S87-K89 PolarHBondContact O-N 3.34Å; K89-Y146 WeakPolarHBondContact CB-OH 3.23Å; K89-Y298 PolarHBondContact O-OH 2.8Å
90	H	94.8	Very high	88.9	Confident	11 Å²	11	28.5 Å²	28.5	5%	0.051	13%	0.131	C	C	.	.			trans	-116.4	131.2	-178.6	-164.1	-87.4	0	0	0	112.7	F92 L93 S142 A143 Y146 Y298	H90-F92 AromaticContact CE1-CD2 3.54Å; H90-F92 PolarHBondContact ND1-N 3.19Å; H90-F92 PolarHBondContact O-N 2.65Å; H90-F92 VanDerWaalsContact O-N 3.15Å; H90-L93 HydrophobicContact CB-CB 4.38Å; H90-L93 HydrophobicContact CB-CD1 3.8Å; H90-L93 HydrophobicContact CB-CG 3.89Å; H90-L93 PolarHBondContact O-N 3.15Å; H90-S142 PolarHBondContact NE2-O 3.14Å; H90-S142 PolarHBondContact NE2-OG 3.12Å; H90-S142 VanDerWaalsContact NE2-OG 3.1Å; H90-A143 VanDerWaalsContact CE1-CA 3.4Å; H90-A143 WeakPolarHBondContact CE1-CA 3.31Å; H90-A143 PolarHBondContact CE1-N 3.34Å; H90-Y146 HydrophobicContact CB-CD1 3.53Å; H90-Y146 HydrophobicContact CB-CE1 3.74Å; H90-Y146 HydrophobicContact CB-CG 3.96Å; H90-Y146 VanDerWaalsContact CD2-CB 3.44Å; H90-Y146 WeakPolarHBondContact CD2-CB 3.42Å; H90-Y146 AromaticContact CD2-CG 3.56Å; H90-Y146 AromaticContact CG-CD1 3.94Å; H90-Y146 AromaticContact CG-CG 3.95Å; H90-Y298 AromaticContact CD2-CE2 3.61Å; H90-Y298 AromaticContact NE2-CD2 3.86Å; H90-Y298 AromaticContact NE2-CE2 3.79Å
91	P	96.2	Very high	88.8	Confident	38 Å²	38	30.1 Å²	30.1	25%	0.247	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.8	-172.5	27.1	-38.9	0	0	0	115.1	Y298 K300	P91-Y298 HydrophobicContact CG-CD2 4.03Å; P91-Y298 HydrophobicContact CG-CE2 4.07Å; P91-Y298 HydrophobicContact CG-CG 4.45Å; P91-Y298 VanDerWaalsContact CG-O 3.26Å; P91-Y298 WeakPolarHBondContact CG-O 3.16Å; P91-K300 HydrophobicContact CB-CG 4.45Å; P91-K300 VanDerWaalsContact O-CE 3.27Å; P91-K300 WeakPolarHBondContact O-CE 3.41Å; P91-K300 PolarHBondContact O-NZ 3.09Å
92	F	97.9	Very high	88.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	15.8	-177.9	-50.8	-47.6	0	0	0	113.3	H90 E139 A143 H169 V170 L172 L297 K300	H90-F92 AromaticContact CE1-CD2 3.54Å; H90-F92 PolarHBondContact ND1-N 3.19Å; H90-F92 PolarHBondContact O-N 2.65Å; H90-F92 VanDerWaalsContact O-N 3.15Å; F92-E139 HydrophobicContact CD1-CB 4.24Å; F92-E139 HydrophobicContact CD1-CG 4.35Å; F92-E139 HydrophobicContact CD2-CB 3.76Å; F92-E139 HydrophobicContact CD2-CG 4.18Å; F92-E139 WeakPolarHBondContact CD2-O 3.39Å; F92-E139 HydrophobicContact CE1-CB 4.25Å; F92-E139 VanDerWaalsContact CE1-CD 3.46Å; F92-E139 HydrophobicContact CE1-CG 3.87Å; F92-E139 WeakPolarHBondContact CE1-OE1 3.5Å; F92-E139 HydrophobicContact CE2-CB 3.84Å; F92-E139 HydrophobicContact CE2-CG 3.74Å; F92-E139 HydrophobicContact CG-CB 4.01Å; F92-E139 HydrophobicContact CZ-CB 4.07Å; F92-E139 HydrophobicContact CZ-CG 3.55Å; F92-E139 VanDerWaalsContact CZ-OE1 3.29Å; F92-E139 WeakPolarHBondContact CZ-OE1 3.38Å; F92-A143 HydrophobicContact CB-CB 4.11Å; F92-H169 HydrophobicContact CD1-CB 4.47Å; F92-H169 HydrophobicContact CE1-CB 4.18Å; F92-V170 WeakPolarHBondContact CA-O 3.4Å; F92-V170 WeakPolarHBondContact CB-O 3.38Å; F92-V170 WeakPolarHBondContact CD1-O 3.25Å; F92-L172 PolarHBondContact O-N 3.12Å; F92-L297 HydrophobicContact CE2-CD2 4.44Å; F92-L297 HydrophobicContact CE2-CG 4.16Å; F92-L297 HydrophobicContact CZ-CG 4.25Å; F92-L297 VanDerWaalsContact CZ-O 3.25Å; F92-L297 WeakPolarHBondContact CZ-O 3.5Å; F92-K300 HydrophobicContact CE1-CD 4.34Å; F92-K300 HydrophobicContact CE1-CG 3.87Å; F92-K300 HydrophobicContact CZ-CG 4.3Å
93	L	97.3	Very high	88.4	Confident	9 Å²	9	29.3 Å²	29.3	5%	0.047	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-116.1	143	172.7	-60.3	-177.3	0	0	0	109.3	H90 R95 A143 Y146 L147 L172 F175	H90-L93 HydrophobicContact CB-CB 4.38Å; H90-L93 HydrophobicContact CB-CD1 3.8Å; H90-L93 HydrophobicContact CB-CG 3.89Å; H90-L93 PolarHBondContact O-N 3.15Å; L93-R95 PolarHBondContact O-N 2.79Å; L93-A143 HydrophobicContact CD2-CB 3.59Å; L93-A143 HydrophobicContact CG-CB 4.26Å; L93-Y146 HydrophobicContact CD1-CD1 3.76Å; L93-Y146 HydrophobicContact CD1-CE1 4.13Å; L93-L147 HydrophobicContact CD1-CD2 3.79Å; L93-L147 HydrophobicContact CD1-CG 4.05Å; L93-L147 HydrophobicContact CD2-CD1 4.29Å; L93-L172 HydrophobicContact CD2-CB 3.85Å; L93-L172 HydrophobicContact CD2-CD1 3.95Å; L93-L172 HydrophobicContact CD2-CG 4.18Å; L93-F175 HydrophobicContact CB-CZ 4.23Å; L93-F175 HydrophobicContact CD2-CE1 4.26Å; L93-F175 HydrophobicContact CD2-CZ 3.96Å
94	V	95.4	Very high	88.2	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.024	16%	0.164	C	C	.	.			trans	-63.6	136.5	175.2	81	0	0	0	0	110.7	L84 L110 D111 V171 L172 T173 F175	L84-V94 HydrophobicContact CD2-CG1 3.81Å; V94-L110 HydrophobicContact CG2-CB 4.08Å; V94-D111 HydrophobicContact CG2-CB 3.98Å; V94-V171 HydrophobicContact CB-CG1 3.99Å; V94-V171 HydrophobicContact CG2-CG1 4.42Å; V94-L172 WeakPolarHBondContact CB-O 3.47Å; V94-L172 PolarHBondContact N-O 3.15Å; V94-T173 HydrophobicContact CB-CG2 4.17Å; V94-T173 HydrophobicContact CG2-CG2 4.36Å; V94-F175 HydrophobicContact CG1-CD2 4.11Å; V94-F175 HydrophobicContact CG1-CE2 3.54Å
95	R	92.3	Very high	88.2	Confident	53 Å²	53	35.1 Å²	35.1	20%	0.2	17%	0.167	C	C	.	.			trans	-89.6	139	176.6	-169.7	-178.5	164	117.7	-5.6	111.3	L88 L93 L110 D111 F360	L88-R95 HydrophobicContact CD2-CG 3.66Å; L93-R95 PolarHBondContact O-N 2.79Å; R95-L110 VanDerWaalsContact O-CA 3.25Å; R95-L110 WeakPolarHBondContact O-CA 3.25Å; R95-D111 WeakPolarHBondContact CB-OD2 3.36Å; R95-D111 PolarHBondContact N-OD2 2.94Å; R95-D111 PolarHBondContact O-N 2.81Å; R95-D111 VanDerWaalsContact O-N 3.14Å; R95-F360 VanDerWaalsContact CZ-CZ 3.43Å; R95-F360 VanDerWaalsContact NH1-CZ 3.28Å
96	L	93.1	Very high	88.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.1	163.4	178.1	67	0	0	0	110.1	R81 L84 L85 L88 Y98 F108 L110	R81-L96 HydrophobicContact CG-CD2 4.36Å; L84-L96 HydrophobicContact CB-CB 3.89Å; L84-L96 HydrophobicContact CB-CD2 3.84Å; L84-L96 HydrophobicContact CB-CG 4.46Å; L84-L96 HydrophobicContact CD1-CD2 4.49Å; L85-L96 HydrophobicContact CD2-CD2 3.91Å; L85-L96 HydrophobicContact CG-CD2 4.25Å; L88-L96 HydrophobicContact CD2-CB 4.27Å; L88-L96 WeakPolarHBondContact CD2-O 3.23Å; L96-Y98 WeakPolarHBondContact CD1-O 3.41Å; L96-F108 HydrophobicContact CD1-CB 4.04Å; L96-F108 HydrophobicContact CD1-CD1 3.83Å; L96-F108 HydrophobicContact CD1-CG 4.46Å; L96-F108 HydrophobicContact CD2-CD1 4.39Å; L96-L110 HydrophobicContact CB-CD2 4.07Å; L96-L110 HydrophobicContact CD1-CD2 3.7Å
97	H	89.6	Confident	89.1	Confident	32 Å²	32	27.8 Å²	27.8	15%	0.148	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-45.6	176.2	-67.9	-92.7	0	0	0	111.6	Y58 V109 D111 G355	Y58-H97 AromaticContact CD1-CD2 3.9Å; Y58-H97 HydrophobicContact CE1-CB 4.14Å; Y58-H97 AromaticContact CE1-CD2 3.63Å; Y58-H97 AromaticContact CE1-CE1 4Å; Y58-H97 AromaticContact CE1-CG 3.63Å; Y58-H97 AromaticContact CE1-ND1 3.9Å; Y58-H97 AromaticContact CE1-NE2 3.86Å; H97-V109 PolarHBondContact N-O 3.47Å; H97-D111 IonicContact CD2-OD1 2.69Å; H97-D111 IonicContact CE1-OD1 3.31Å; H97-D111 IonicContact NE2-OD1 2.8Å; H97-D111 PolarHBondContact NE2-OD1 2.76Å; H97-G355 PolarHBondContact O-N 3.41Å
98	Y	87.2	Confident	90.1	Very high	47 Å²	47	27.8 Å²	27.8	18%	0.184	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.6	-179.6	-47.3	-82.5	0	0	0	109.6	L51 L96 V109 F353 V354	L51-Y98 HydrophobicContact CD2-CE2 4.06Å; L96-Y98 WeakPolarHBondContact CD1-O 3.41Å; Y98-V109 HydrophobicContact CD2-CB 3.78Å; Y98-V109 HydrophobicContact CD2-CG1 3.74Å; Y98-V109 HydrophobicContact CD2-CG2 4.17Å; Y98-V109 HydrophobicContact CE2-CG1 4.47Å; Y98-V109 HydrophobicContact CG-CB 4.33Å; Y98-V109 HydrophobicContact CG-CG2 4.48Å; Y98-V109 PolarHBondContact N-O 3.17Å; Y98-V109 PolarHBondContact O-N 3.01Å; Y98-F353 WeakPolarHBondContact CA-O 3.29Å; Y98-V354 HydrophobicContact CD1-CB 4.28Å; Y98-V354 HydrophobicContact CD1-CG1 4.3Å; Y98-V354 HydrophobicContact CD1-CG2 3.75Å; Y98-V354 HydrophobicContact CE1-CB 4.49Å; Y98-V354 HydrophobicContact CE1-CG1 4.02Å; Y98-V354 HydrophobicContact CE1-CG2 4.07Å
99	S	91.6	Very high	91.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134	157	63.1	0	0	0	0	108	R81 Y107 F351 S352 F353	R81-S99 PolarHBondContact NE-OG 3.3Å; R81-S99 VanDerWaalsContact NE-OG 3.13Å; S99-Y107 CarbonylContact C-O 3.47Å; S99-Y107 VanDerWaalsContact CA-O 3.23Å; S99-Y107 WeakPolarHBondContact CA-O 3.41Å; S99-F351 WeakPolarHBondContact CB-O 3.27Å; S99-F351 PolarHBondContact OG-O 3.21Å; S99-S352 CarbonylContact O-C 3.4Å; S99-S352 WeakPolarHBondContact O-CA 3.35Å; S99-F353 PolarHBondContact N-O 3.19Å; S99-F353 PolarHBondContact O-N 3.02Å; S99-F353 WeakPolarHBondContact OG-CB 3.34Å; S99-F353 PolarHBondContact OG-N 3.13Å
100	F	90.3	Very high	92.2	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.013	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	169.2	178.2	65.7	-90.3	0	0	0	110.3	A27 P29 F32 Y107 V109 F351	A27-F100 HydrophobicContact CB-CB 4.07Å; A27-F100 HydrophobicContact CB-CD1 3.87Å; A27-F100 HydrophobicContact CB-CE1 4.48Å; A27-F100 HydrophobicContact CB-CG 3.96Å; A27-F100 WeakPolarHBondContact O-CD2 3.46Å; P29-F100 HydrophobicContact CG-CE2 4Å; F32-F100 HydrophobicContact CD2-CZ 4.4Å; F32-F100 AromaticContact CE2-CE1 3.79Å; F32-F100 HydrophobicContact CE2-CE1 3.79Å; F32-F100 AromaticContact CE2-CZ 3.93Å; F32-F100 HydrophobicContact CE2-CZ 3.93Å; F32-F100 HydrophobicContact CZ-CE1 4.28Å; F100-Y107 AromaticContact CD2-CD2 3.78Å; F100-Y107 HydrophobicContact CD2-CD2 3.78Å; F100-Y107 AromaticContact CD2-CG 3.98Å; F100-Y107 HydrophobicContact CD2-CG 3.98Å; F100-Y107 HydrophobicContact CE1-CG 4.2Å; F100-Y107 AromaticContact CE2-CD1 3.89Å; F100-Y107 HydrophobicContact CE2-CD1 3.89Å; F100-Y107 AromaticContact CE2-CD2 3.45Å; F100-Y107 HydrophobicContact CE2-CD2 3.45Å; F100-Y107 VanDerWaalsContact CE2-CD2 3.45Å; F100-Y107 HydrophobicContact CE2-CE1 4.44Å; F100-Y107 HydrophobicContact CE2-CE2 4.05Å; F100-Y107 AromaticContact CE2-CG 3.38Å; F100-Y107 HydrophobicContact CE2-CG 3.38Å; F100-Y107 AromaticContact CZ-CD1 3.75Å; F100-Y107 HydrophobicContact CZ-CD1 3.75Å; F100-Y107 HydrophobicContact CZ-CD2 4.1Å; F100-Y107 AromaticContact CZ-CG 3.52Å; F100-Y107 HydrophobicContact CZ-CG 3.52Å; F100-Y107 PolarHBondContact N-O 2.91Å; F100-Y107 PolarHBondContact O-N 3.03Å; F100-V109 HydrophobicContact CD1-CG2 4.27Å; F100-V109 HydrophobicContact CE1-CG2 3.66Å; F100-F351 VanDerWaalsContact O-CE1 3.27Å; F100-F351 WeakPolarHBondContact O-CE1 3.35Å
101	Q	89.7	Confident	92.2	Very high	42 Å²	42	22.2 Å²	22.2	20%	0.196	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.8	-174.6	60.9	-179.1	-48	0	0	112.1	K65 K105 L106 F348 F351	K65-Q101 VanDerWaalsContact CE-OE1 3.29Å; Q101-K105 WeakPolarHBondContact CA-O 3.48Å; Q101-L106 HydrophobicContact CB-CD2 3.59Å; Q101-F348 PolarHBondContact NE2-O 2.99Å; Q101-F351 HydrophobicContact CB-CD1 4.23Å
102	T	87	Confident	92.2	Very high	18 Å²	18	21.8 Å²	21.8	11%	0.11	10%	0.104	C	C	.	.			trans	-113.5	-178.3	166.5	59.8	0	0	0	0	108.7	P29 K65 E104 K105 Y107 T335	P29-T102 HydrophobicContact CG-CG2 3.81Å; K65-T102 VanDerWaalsContact CE-O 3.32Å; K65-T102 WeakPolarHBondContact CE-O 3.49Å; K65-T102 PolarHBondContact NZ-O 3.35Å; T102-E104 PolarHBondContact O-N 2.95Å; T102-K105 PolarHBondContact N-O 3.32Å; T102-K105 PolarHBondContact OG1-N 3.22Å; T102-K105 VanDerWaalsContact OG1-N 3.09Å; T102-K105 PolarHBondContact OG1-O 3.11Å; T102-Y107 HydrophobicContact CG2-CE2 3.78Å; T102-T335 HydrophobicContact CG2-CG2 4.14Å
103	A	84.1	Confident	92.1	Very high	22 Å²	22	22.6 Å²	22.6	18%	0.182	11%	0.109	C	C	.	.	S	Bend	trans	-51.8	-36.3	172.1	0	0	0	0	0	113.2	A340	A103-A340 HydrophobicContact CB-CB 3.7Å
104	E	86.9	Confident	92	Very high	109 Å²	109	22.7 Å²	22.7	51%	0.509	11%	0.11	S	C	.	.	S	Bend	trans	-112.9	-20.6	-170.8	-65.4	-179.3	-179.9	0	0	114.5	K65 T102 P336	K65-E104 WeakPolarHBondContact CB-O 3.47Å; K65-E104 WeakPolarHBondContact CG-O 3.45Å; K65-E104 PolarHBondContact N-O 3.25Å; T102-E104 PolarHBondContact O-N 2.95Å; E104-P336 HydrophobicContact CG-CG 4.07Å
105	K	91.3	Very high	92	Very high	14 Å²	14	22.5 Å²	22.5	6%	0.061	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.5	-166.4	-63.6	172.4	179.6	-178.7	0	113.1	V62 L63 Q101 T102 Y107 S331	V62-K105 HydrophobicContact CG1-CB 4.33Å; V62-K105 HydrophobicContact CG1-CD 3.85Å; V62-K105 HydrophobicContact CG1-CG 4.41Å; L63-K105 CarbonylContact O-C 3.54Å; L63-K105 WeakPolarHBondContact O-CA 3.38Å; L63-K105 WeakPolarHBondContact O-CB 3.12Å; Q101-K105 WeakPolarHBondContact CA-O 3.48Å; T102-K105 PolarHBondContact N-O 3.32Å; T102-K105 PolarHBondContact OG1-N 3.22Å; T102-K105 VanDerWaalsContact OG1-N 3.09Å; T102-K105 PolarHBondContact OG1-O 3.11Å; K105-Y107 HydrophobicContact CB-CD2 4.39Å; K105-Y107 HydrophobicContact CB-CE2 3.57Å; K105-Y107 WeakPolarHBondContact CD-OH 3.12Å; K105-S331 PolarHBondContact NZ-O 3.33Å; K105-S331 PolarHBondContact NZ-OG 3.25Å
106	L	93.1	Very high	92.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.4	167.9	-55.8	177.9	0	0	0	109.1	V62 L63 K65 I68 I77 Q101 F348 F351	V62-L106 WeakPolarHBondContact CA-O 3.14Å; L63-L106 HydrophobicContact CB-CB 4.35Å; L63-L106 PolarHBondContact N-O 3.14Å; L63-L106 PolarHBondContact O-N 3.49Å; K65-L106 HydrophobicContact CD-CD2 4.47Å; K65-L106 VanDerWaalsContact CE-CD2 3.45Å; K65-L106 HydrophobicContact CG-CD2 4.25Å; K65-L106 HydrophobicContact CG-CG 4.09Å; I68-L106 HydrophobicContact CD1-CD1 3.76Å; I68-L106 HydrophobicContact CD1-CG 4.49Å; I77-L106 HydrophobicContact CG2-CD1 3.73Å; Q101-L106 HydrophobicContact CB-CD2 3.59Å; L106-F348 HydrophobicContact CD1-CD1 3.65Å; L106-F348 HydrophobicContact CD1-CE1 3.69Å; L106-F348 HydrophobicContact CD1-CG 4.19Å; L106-F348 HydrophobicContact CD1-CZ 4.27Å; L106-F348 HydrophobicContact CD2-CB 4.1Å; L106-F348 HydrophobicContact CD2-CD1 4.29Å; L106-F348 HydrophobicContact CD2-CD2 4.45Å; L106-F348 HydrophobicContact CD2-CG 4.03Å; L106-F351 HydrophobicContact CB-CE1 3.91Å; L106-F351 HydrophobicContact CB-CE2 4.33Å; L106-F351 HydrophobicContact CB-CZ 3.78Å; L106-F351 HydrophobicContact CD1-CD2 4.3Å; L106-F351 HydrophobicContact CD1-CE2 4.05Å; L106-F351 HydrophobicContact CD1-CZ 4.34Å; L106-F351 HydrophobicContact CD2-CD1 3.92Å; L106-F351 HydrophobicContact CD2-CD2 4.35Å; L106-F351 HydrophobicContact CD2-CE1 4.12Å; L106-F351 HydrophobicContact CD2-CG 4.07Å; L106-F351 HydrophobicContact CD2-CZ 4.42Å; L106-F351 HydrophobicContact CG-CE1 4.49Å; L106-F351 HydrophobicContact CG-CZ 4.41Å
107	Y	93.7	Very high	92.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	123.4	-178.4	-62.3	-102.6	0	0	0	108.7	P29 V60 K61 V62 S99 F100 T102 K105 V332 F351	P29-Y107 HydrophobicContact CB-CE1 4.24Å; P29-Y107 HydrophobicContact CG-CE1 4.06Å; P29-Y107 HydrophobicContact CG-CE2 4.02Å; V60-Y107 HydrophobicContact CG1-CD1 3.96Å; K61-Y107 WeakPolarHBondContact O-CA 3.22Å; V62-Y107 HydrophobicContact CB-CD1 4.4Å; V62-Y107 HydrophobicContact CB-CE1 4.3Å; V62-Y107 HydrophobicContact CG1-CD1 4.16Å; V62-Y107 HydrophobicContact CG1-CE1 3.69Å; V62-Y107 HydrophobicContact CG2-CD1 3.63Å; V62-Y107 HydrophobicContact CG2-CE1 3.67Å; S99-Y107 CarbonylContact C-O 3.47Å; S99-Y107 VanDerWaalsContact CA-O 3.23Å; S99-Y107 WeakPolarHBondContact CA-O 3.41Å; F100-Y107 AromaticContact CD2-CD2 3.78Å; F100-Y107 HydrophobicContact CD2-CD2 3.78Å; F100-Y107 AromaticContact CD2-CG 3.98Å; F100-Y107 HydrophobicContact CD2-CG 3.98Å; F100-Y107 HydrophobicContact CE1-CG 4.2Å; F100-Y107 AromaticContact CE2-CD1 3.89Å; F100-Y107 HydrophobicContact CE2-CD1 3.89Å; F100-Y107 AromaticContact CE2-CD2 3.45Å; F100-Y107 HydrophobicContact CE2-CD2 3.45Å; F100-Y107 VanDerWaalsContact CE2-CD2 3.45Å; F100-Y107 HydrophobicContact CE2-CE1 4.44Å; F100-Y107 HydrophobicContact CE2-CE2 4.05Å; F100-Y107 AromaticContact CE2-CG 3.38Å; F100-Y107 HydrophobicContact CE2-CG 3.38Å; F100-Y107 AromaticContact CZ-CD1 3.75Å; F100-Y107 HydrophobicContact CZ-CD1 3.75Å; F100-Y107 HydrophobicContact CZ-CD2 4.1Å; F100-Y107 AromaticContact CZ-CG 3.52Å; F100-Y107 HydrophobicContact CZ-CG 3.52Å; F100-Y107 PolarHBondContact N-O 2.91Å; F100-Y107 PolarHBondContact O-N 3.03Å; T102-Y107 HydrophobicContact CG2-CE2 3.78Å; K105-Y107 HydrophobicContact CB-CD2 4.39Å; K105-Y107 HydrophobicContact CB-CE2 3.57Å; K105-Y107 WeakPolarHBondContact CD-OH 3.12Å; Y107-V332 HydrophobicContact CE1-CG1 4.39Å; Y107-V332 PolarHBondContact OH-O 3.12Å; Y107-V332 VanDerWaalsContact OH-O 3.12Å; Y107-F351 WeakPolarHBondContact O-CE1 2.96Å
108	F	94.2	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.3	161.9	-62.2	-96.1	0	0	0	108.1	V60 K61 L63 I77 R81 L84 L96 L110 F351	V60-F108 CarbonylContact C-O 3.58Å; V60-F108 VanDerWaalsContact CA-O 3.27Å; V60-F108 WeakPolarHBondContact CA-O 3.41Å; K61-F108 HydrophobicContact CB-CB 4.2Å; K61-F108 PolarHBondContact N-O 3.5Å; K61-F108 PolarHBondContact O-N 2.7Å; L63-F108 HydrophobicContact CD1-CD2 4.31Å; L63-F108 HydrophobicContact CD1-CE2 3.8Å; I77-F108 HydrophobicContact CG2-CE2 4.17Å; I77-F108 HydrophobicContact CG2-CZ 4.09Å; R81-F108 HydrophobicContact CB-CE1 3.67Å; R81-F108 HydrophobicContact CB-CZ 4.12Å; R81-F108 HydrophobicContact CG-CE1 4.07Å; L84-F108 HydrophobicContact CD1-CD1 3.94Å; L84-F108 HydrophobicContact CD1-CE1 4.09Å; L96-F108 HydrophobicContact CD1-CB 4.04Å; L96-F108 HydrophobicContact CD1-CD1 3.83Å; L96-F108 HydrophobicContact CD1-CG 4.46Å; L96-F108 HydrophobicContact CD2-CD1 4.39Å; F108-L110 HydrophobicContact CB-CD2 4.33Å; F108-L110 HydrophobicContact CB-CG 4.24Å; F108-F351 HydrophobicContact CD1-CZ 4.22Å; F108-F351 AromaticContact CD2-CZ 4Å; F108-F351 HydrophobicContact CD2-CZ 4Å; F108-F351 AromaticContact CE1-CE2 3.88Å; F108-F351 HydrophobicContact CE1-CE2 3.88Å; F108-F351 AromaticContact CE1-CZ 3.86Å; F108-F351 HydrophobicContact CE1-CZ 3.86Å; F108-F351 AromaticContact CE2-CE2 3.82Å; F108-F351 HydrophobicContact CE2-CE2 3.82Å; F108-F351 AromaticContact CE2-CZ 3.61Å; F108-F351 HydrophobicContact CE2-CZ 3.61Å; F108-F351 HydrophobicContact CG-CZ 4.3Å; F108-F351 AromaticContact CZ-CE2 3.4Å; F108-F351 HydrophobicContact CZ-CE2 3.4Å; F108-F351 VanDerWaalsContact CZ-CE2 3.4Å; F108-F351 AromaticContact CZ-CZ 3.56Å; F108-F351 HydrophobicContact CZ-CZ 3.56Å
109	V	94.7	Very high	92.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107	175.4	-173.5	0	0	0	0	107.4	F32 Y58 V60 H97 Y98 F100	F32-V109 HydrophobicContact CE1-CG1 3.91Å; F32-V109 HydrophobicContact CE1-CG2 4.2Å; F32-V109 HydrophobicContact CE2-CG2 4.45Å; F32-V109 HydrophobicContact CZ-CG1 4.18Å; F32-V109 HydrophobicContact CZ-CG2 3.77Å; Y58-V109 HydrophobicContact CD1-CG1 3.64Å; Y58-V109 HydrophobicContact CD2-CG1 4.37Å; Y58-V109 HydrophobicContact CE1-CG1 4.39Å; Y58-V109 HydrophobicContact CG-CG1 3.61Å; V60-V109 HydrophobicContact CG1-CG2 4.39Å; V60-V109 HydrophobicContact CG2-CG1 4.32Å; V60-V109 HydrophobicContact CG2-CG2 4.34Å; H97-V109 PolarHBondContact N-O 3.47Å; Y98-V109 HydrophobicContact CD2-CB 3.78Å; Y98-V109 HydrophobicContact CD2-CG1 3.74Å; Y98-V109 HydrophobicContact CD2-CG2 4.17Å; Y98-V109 HydrophobicContact CE2-CG1 4.47Å; Y98-V109 HydrophobicContact CG-CB 4.33Å; Y98-V109 HydrophobicContact CG-CG2 4.48Å; Y98-V109 PolarHBondContact N-O 3.17Å; Y98-V109 PolarHBondContact O-N 3.01Å; F100-V109 HydrophobicContact CD1-CG2 4.27Å; F100-V109 HydrophobicContact CE1-CG2 3.66Å
110	L	95.3	Very high	92.8	Very high	22 Å²	22	25.3 Å²	25.3	12%	0.115	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	165.2	-172.3	-55.5	171.9	0	0	0	110.5	Y58 A59 L84 V94 R95 L96 F108 Y112	Y58-L110 WeakPolarHBondContact CA-O 3.14Å; A59-L110 HydrophobicContact CB-CB 4.42Å; A59-L110 PolarHBondContact N-O 2.98Å; A59-L110 PolarHBondContact O-N 2.86Å; L84-L110 HydrophobicContact CD1-CD2 4.09Å; L84-L110 HydrophobicContact CD2-CD2 4.3Å; V94-L110 HydrophobicContact CG2-CB 4.08Å; R95-L110 VanDerWaalsContact O-CA 3.25Å; R95-L110 WeakPolarHBondContact O-CA 3.25Å; L96-L110 HydrophobicContact CB-CD2 4.07Å; L96-L110 HydrophobicContact CD1-CD2 3.7Å; F108-L110 HydrophobicContact CB-CD2 4.33Å; F108-L110 HydrophobicContact CB-CG 4.24Å; L110-Y112 PolarHBondContact O-N 3.23Å
111	D	95.1	Very high	92.9	Very high	52 Å²	52	25.2 Å²	25.2	28%	0.278	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	135.7	166.3	-67.5	-37.6	0	0	0	110.8	A59 V94 R95 H97 V113	A59-D111 WeakPolarHBondContact CB-O 3.33Å; V94-D111 HydrophobicContact CG2-CB 3.98Å; R95-D111 WeakPolarHBondContact CB-OD2 3.36Å; R95-D111 PolarHBondContact N-OD2 2.94Å; R95-D111 PolarHBondContact O-N 2.81Å; R95-D111 VanDerWaalsContact O-N 3.14Å; H97-D111 IonicContact CD2-OD1 2.69Å; H97-D111 IonicContact CE1-OD1 3.31Å; H97-D111 IonicContact NE2-OD1 2.8Å; H97-D111 PolarHBondContact NE2-OD1 2.76Å; D111-V113 HydrophobicContact CB-CG2 4.31Å
112	Y	96.8	Very high	93	Very high	30 Å²	30	23.5 Å²	23.5	12%	0.118	12%	0.117	C	C	.	.			trans	-85.2	116.1	166.6	-179	-125.9	0	0	0	110	I38 L48 F57 A59 L110 N114 P313 D315 I319	I38-Y112 HydrophobicContact CD1-CD2 3.94Å; I38-Y112 HydrophobicContact CD1-CE2 3.79Å; L48-Y112 HydrophobicContact CD1-CD1 3.62Å; L48-Y112 HydrophobicContact CD1-CD2 3.8Å; L48-Y112 HydrophobicContact CD1-CE1 3.68Å; L48-Y112 HydrophobicContact CD1-CE2 3.87Å; L48-Y112 HydrophobicContact CD1-CG 3.68Å; L48-Y112 HydrophobicContact CD2-CE1 4.31Å; F57-Y112 HydrophobicContact CB-CD1 4.23Å; A59-Y112 HydrophobicContact CB-CD2 4.41Å; L110-Y112 PolarHBondContact O-N 3.23Å; Y112-N114 HydrophobicContact CD1-CB 4.14Å; Y112-N114 HydrophobicContact CE1-CB 3.53Å; Y112-P313 WeakPolarHBondContact CD1-O 3.45Å; Y112-P313 WeakPolarHBondContact CE1-O 3.34Å; Y112-D315 PolarHBondContact OH-O 3Å; Y112-I319 HydrophobicContact CE2-CD1 4.08Å; Y112-I319 VanDerWaalsContact OH-CD1 3.3Å; Y112-I319 WeakPolarHBondContact OH-CD1 3.43Å
113	V	96.4	Very high	93.2	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.103	14%	0.14	C	C	.	.			trans	-109.7	107.6	-178.3	-173.8	0	0	0	0	108.5	D111 L163 L164 D165 V171	D111-V113 HydrophobicContact CB-CG2 4.31Å; V113-L163 HydrophobicContact CB-CB 4.15Å; V113-L163 HydrophobicContact CB-CD1 3.81Å; V113-L163 HydrophobicContact CG1-CB 3.52Å; V113-L163 HydrophobicContact CG1-CD1 4.14Å; V113-L163 HydrophobicContact CG1-CG 4.5Å; V113-L163 HydrophobicContact CG2-CD1 4.47Å; V113-L164 VanDerWaalsContact CG1-C 3.48Å; V113-L164 WeakPolarHBondContact CG1-O 3.42Å; V113-D165 HydrophobicContact CG1-CB 4.4Å; V113-V171 HydrophobicContact CG1-CB 4.19Å; V113-V171 HydrophobicContact CG1-CG2 4.14Å; V113-V171 HydrophobicContact CG2-CB 4.07Å; V113-V171 HydrophobicContact CG2-CG1 3.91Å; V113-V171 HydrophobicContact CG2-CG2 4.19Å
114	N	94.9	Very high	93.4	Very high	11 Å²	11	35.3 Å²	35.3	6%	0.059	16%	0.16	C	C	.	.			trans	-105.6	1.9	-164.1	67.5	-16.7	0	0	0	115.1	Y112 G116 S166 V310 G312	Y112-N114 HydrophobicContact CD1-CB 4.14Å; Y112-N114 HydrophobicContact CE1-CB 3.53Å; N114-G116 VanDerWaalsContact C-N 3.25Å; N114-G116 PolarHBondContact O-N 2.91Å; N114-S166 WeakPolarHBondContact OD1-CB 3.2Å; N114-V310 WeakPolarHBondContact O-CG1 3.49Å; N114-G312 PolarHBondContact ND2-O 3.01Å; N114-G312 VanDerWaalsContact ND2-O 3.07Å
115	G	95.8	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-79.7	-5.5	175.7	0	0	0	0	0	113.6	H121 L164	G115-H121 PolarHBondContact O-CE1 3.49Å; G115-H121 PolarHBondContact O-NE2 2.79Å; G115-L164 CarbonylContact C-O 3.48Å; G115-L164 WeakPolarHBondContact CA-O 3.42Å; G115-L164 PolarHBondContact N-O 3.49Å
116	G	94.4	Very high	93.4	Very high	5 Å²	5	42.8 Å²	42.8	5%	0.052	19%	0.187	C	C	.	.			trans	86.8	172.6	176.4	0	0	0	0	0	114.3	N114 L163 L164	N114-G116 VanDerWaalsContact C-N 3.25Å; N114-G116 PolarHBondContact O-N 2.91Å; G116-L163 WeakPolarHBondContact O-CA 3.25Å; G116-L164 PolarHBondContact O-N 2.94Å
117	E	95.2	Very high	93.4	Very high	71 Å²	71	45.2 Å²	45.2	33%	0.332	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-71.3	142.5	178.1	-64.9	170	-161	0	0	111.3	F119 F120 H121 L163	E117-F119 HydrophobicContact CB-CB 4.22Å; E117-F119 PolarHBondContact O-N 3.35Å; E117-F120 HydrophobicContact CB-CB 4.41Å; E117-F120 WeakPolarHBondContact O-CB 3.41Å; E117-F120 PolarHBondContact O-N 3.3Å; E117-F120 VanDerWaalsContact O-N 3.1Å; E117-H121 PolarHBondContact O-CD2 3.5Å; E117-H121 PolarHBondContact O-N 3.16Å; E117-L163 HydrophobicContact CB-CD2 4.06Å; E117-L163 HydrophobicContact CG-CD2 3.41Å; E117-L163 VanDerWaalsContact CG-CD2 3.41Å
118	L	95.8	Very high	93.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-36.3	171.8	-170.1	72.2	0	0	0	110.4	F120 H121 L122 F128 Y136 P159 I162 L164 V220 M224	L118-F120 PolarHBondContact O-N 2.82Å; L118-H121 PolarHBondContact O-N 2.89Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 PolarHBondContact O-N 3.37Å; L118-F128 HydrophobicContact CD1-CE2 3.66Å; L118-F128 HydrophobicContact CD1-CZ 4.15Å; L118-F128 HydrophobicContact CG-CE2 4.16Å; L118-Y136 HydrophobicContact CD1-CD2 3.71Å; L118-Y136 HydrophobicContact CD1-CE2 3.76Å; L118-Y136 HydrophobicContact CD1-CG 4.35Å; L118-P159 HydrophobicContact CB-CB 4.33Å; L118-P159 WeakPolarHBondContact CB-O 3.46Å; L118-P159 PolarHBondContact N-O 3.11Å; L118-I162 HydrophobicContact CB-CB 3.98Å; L118-I162 HydrophobicContact CB-CG2 4Å; L118-I162 WeakPolarHBondContact CB-O 3.43Å; L118-I162 HydrophobicContact CD2-CB 4.24Å; L118-I162 HydrophobicContact CD2-CD1 3.99Å; L118-I162 HydrophobicContact CD2-CG2 3.99Å; L118-I162 HydrophobicContact CG-CG2 4.5Å; L118-I162 PolarHBondContact N-O 3.07Å; L118-L164 HydrophobicContact CD1-CD2 4.41Å; L118-V220 HydrophobicContact CD2-CG1 4.39Å; L118-M224 HydrophobicContact CD2-CG 4.3Å; L118-M224 HydrophobicContact CD2-SD 3.94Å
119	F	93	Very high	93.7	Very high	55 Å²	55	48.8 Å²	48.8	24%	0.241	23%	0.228	C	C	.	.	H	α-helix	trans	-52	-50.9	172.8	-174.2	-109.2	0	0	0	112.6	E117 H121 L122 Q123 P159 E160	E117-F119 HydrophobicContact CB-CB 4.22Å; E117-F119 PolarHBondContact O-N 3.35Å; F119-H121 VanDerWaalsContact C-N 3.33Å; F119-H121 PolarHBondContact O-N 2.98Å; F119-L122 PolarHBondContact O-N 3.1Å; F119-Q123 HydrophobicContact CD1-CG 4.34Å; F119-Q123 HydrophobicContact CE1-CG 4.06Å; F119-Q123 HydrophobicContact CE2-CG 4.28Å; F119-Q123 HydrophobicContact CZ-CG 4.04Å; F119-Q123 WeakPolarHBondContact O-CG 3.32Å; F119-Q123 PolarHBondContact O-N 3.34Å; F119-P159 HydrophobicContact CB-CB 3.81Å; F119-P159 HydrophobicContact CD2-CB 4.26Å; F119-P159 PolarHBondContact N-O 2.86Å; F119-E160 HydrophobicContact CB-CG 4.04Å; F119-E160 HydrophobicContact CD1-CG 4.36Å; F119-E160 HydrophobicContact CD2-CG 4.35Å; F119-E160 HydrophobicContact CG-CG 4.01Å
120	F	90.9	Very high	93.9	Very high	60 Å²	60	50.3 Å²	50.3	26%	0.263	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-43.1	-180	173.3	-101.3	0	0	0	112	E117 L118 R124 H318	E117-F120 HydrophobicContact CB-CB 4.41Å; E117-F120 WeakPolarHBondContact O-CB 3.41Å; E117-F120 PolarHBondContact O-N 3.3Å; E117-F120 VanDerWaalsContact O-N 3.1Å; L118-F120 PolarHBondContact O-N 2.82Å; F120-R124 WeakPolarHBondContact O-CG 3.43Å; F120-R124 PolarHBondContact O-N 3.26Å; F120-H318 HydrophobicContact CE1-CB 4.36Å; F120-H318 AromaticContact CE1-ND1 3.87Å
121	H	92.6	Very high	94	Very high	1 Å²	1	53 Å²	53	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-40.9	177.3	-66.2	-62.8	0	0	0	112.1	G115 E117 L118 F119 R124 E125 F128 Y306	G115-H121 PolarHBondContact O-CE1 3.49Å; G115-H121 PolarHBondContact O-NE2 2.79Å; E117-H121 PolarHBondContact O-CD2 3.5Å; E117-H121 PolarHBondContact O-N 3.16Å; L118-H121 PolarHBondContact O-N 2.89Å; F119-H121 VanDerWaalsContact C-N 3.33Å; F119-H121 PolarHBondContact O-N 2.98Å; H121-R124 PolarHBondContact O-N 2.9Å; H121-E125 PolarHBondContact O-N 3.48Å; H121-F128 HydrophobicContact CB-CE1 4.43Å; H121-F128 HydrophobicContact CB-CZ 4.02Å; H121-Y306 AromaticContact CE1-CE1 3.61Å; H121-Y306 AromaticContact CE1-CZ 3.71Å; H121-Y306 PolarHBondContact CE1-OH 3.46Å; H121-Y306 AromaticContact ND1-CE1 3.79Å; H121-Y306 AromaticContact ND1-CZ 3.65Å; H121-Y306 PolarHBondContact ND1-OH 3.05Å
122	L	92.8	Very high	94.2	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-41.8	178.9	-171.7	57.9	0	0	0	111.6	L118 F119 R124 E125 R126 F128 E223	L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 PolarHBondContact O-N 3.37Å; F119-L122 PolarHBondContact O-N 3.1Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.3Å; L122-E125 PolarHBondContact O-N 2.88Å; L122-R126 WeakPolarHBondContact CD1-O 3.42Å; L122-R126 CarbonylContact O-C 3.5Å; L122-R126 WeakPolarHBondContact O-CA 3.29Å; L122-R126 PolarHBondContact O-N 3.41Å; L122-F128 HydrophobicContact CB-CE2 4.39Å; L122-F128 HydrophobicContact CB-CZ 3.98Å; L122-F128 HydrophobicContact CD1-CD1 4.32Å; L122-F128 HydrophobicContact CD1-CD2 4.24Å; L122-F128 HydrophobicContact CD1-CE1 4.19Å; L122-F128 HydrophobicContact CD1-CE2 4.08Å; L122-F128 HydrophobicContact CD1-CG 4.34Å; L122-F128 HydrophobicContact CD1-CZ 4.06Å; L122-E223 HydrophobicContact CD2-CB 4.38Å; L122-E223 HydrophobicContact CD2-CG 3.72Å
123	Q	89.4	Confident	94.3	Very high	126 Å²	126	49.9 Å²	49.9	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-61.1	-37.1	174.9	-74.6	-164.6	-32.8	0	0	112.9	F119	F119-Q123 HydrophobicContact CD1-CG 4.34Å; F119-Q123 HydrophobicContact CE1-CG 4.06Å; F119-Q123 HydrophobicContact CE2-CG 4.28Å; F119-Q123 HydrophobicContact CZ-CG 4.04Å; F119-Q123 WeakPolarHBondContact O-CG 3.32Å; F119-Q123 PolarHBondContact O-N 3.34Å
124	R	88.4	Confident	94.4	Very high	162 Å²	162	51.1 Å²	51.1	61%	0.611	24%	0.241	S	C	*	.	H	α-helix	trans	-72.9	-39.5	179.2	-74	179.9	63.7	-173.9	-1.1	113	F120 H121 L122	F120-R124 WeakPolarHBondContact O-CG 3.43Å; F120-R124 PolarHBondContact O-N 3.26Å; H121-R124 PolarHBondContact O-N 2.9Å; L122-R124 VanDerWaalsContact C-N 3.29Å; L122-R124 PolarHBondContact O-N 3.3Å
125	E	90.2	Very high	94.6	Very high	85 Å²	85	51 Å²	51	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-97	-6.7	-175	-64.2	-176	-125.9	0	0	113.6	H121 L122 C127 F128 R132	H121-E125 PolarHBondContact O-N 3.48Å; L122-E125 PolarHBondContact O-N 2.88Å; E125-C127 PolarHBondContact O-N 3.02Å; E125-F128 HydrophobicContact CB-CD1 4.45Å; E125-F128 HydrophobicContact CB-CE1 4.22Å; E125-R132 IonicContact OE1-CZ 3.12Å; E125-R132 IonicContact OE1-NH1 3.97Å; E125-R132 PolarHBondContact OE1-NH1 2.9Å; E125-R132 IonicContact OE1-NH2 3.59Å; E125-R132 PolarHBondContact OE1-NH2 3.16Å; E125-R132 IonicContact OE2-CZ 3.27Å; E125-R132 IonicContact OE2-NH1 2.78Å; E125-R132 PolarHBondContact OE2-NH1 2.92Å
126	R	89.6	Confident	94.7	Very high	195 Å²	195	51.1 Å²	51.1	74%	0.736	24%	0.241	S	C	*	.	S	Bend	trans	65.8	-54.9	-172.8	-54.8	-177.8	176.7	-170	-1.3	113.5	L122 S227	L122-R126 WeakPolarHBondContact CD1-O 3.42Å; L122-R126 CarbonylContact O-C 3.5Å; L122-R126 WeakPolarHBondContact O-CA 3.29Å; L122-R126 PolarHBondContact O-N 3.41Å; R126-S227 VanDerWaalsContact O-CA 3.28Å; R126-S227 WeakPolarHBondContact O-CA 3.37Å; R126-S227 WeakPolarHBondContact O-CB 3.22Å; R126-S227 PolarHBondContact O-OG 3.05Å; R126-S227 VanDerWaalsContact O-OG 3.09Å
127	C	92.7	Very high	94.9	Very high	52 Å²	52	50.9 Å²	50.9	35%	0.351	24%	0.238	S	C	.	.	S	Bend	trans	-145.3	155.9	175.9	64.3	0	0	0	0	111.5	E125	E125-C127 PolarHBondContact O-N 3.02Å
128	F	97.2	Very high	95.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.018	22%	0.223	C	C	.	.			trans	-95.9	154.6	174.3	-59.7	-29.1	0	0	0	111.4	L118 H121 L122 E125 R132 Y136 M224	L118-F128 HydrophobicContact CD1-CE2 3.66Å; L118-F128 HydrophobicContact CD1-CZ 4.15Å; L118-F128 HydrophobicContact CG-CE2 4.16Å; H121-F128 HydrophobicContact CB-CE1 4.43Å; H121-F128 HydrophobicContact CB-CZ 4.02Å; L122-F128 HydrophobicContact CB-CE2 4.39Å; L122-F128 HydrophobicContact CB-CZ 3.98Å; L122-F128 HydrophobicContact CD1-CD1 4.32Å; L122-F128 HydrophobicContact CD1-CD2 4.24Å; L122-F128 HydrophobicContact CD1-CE1 4.19Å; L122-F128 HydrophobicContact CD1-CE2 4.08Å; L122-F128 HydrophobicContact CD1-CG 4.34Å; L122-F128 HydrophobicContact CD1-CZ 4.06Å; E125-F128 HydrophobicContact CB-CD1 4.45Å; E125-F128 HydrophobicContact CB-CE1 4.22Å; F128-R132 HydrophobicContact CB-CB 4.24Å; F128-R132 HydrophobicContact CB-CG 4.14Å; F128-R132 HydrophobicContact CD2-CG 4.39Å; F128-R132 VanDerWaalsContact CE1-CZ 3.48Å; F128-R132 HydrophobicContact CG-CG 4.17Å; F128-Y136 HydrophobicContact CD2-CD2 4.23Å; F128-Y136 HydrophobicContact CD2-CE2 4.21Å; F128-Y136 HydrophobicContact CE2-CD2 4.21Å; F128-Y136 HydrophobicContact CE2-CE2 4.03Å; F128-M224 HydrophobicContact CD2-CB 3.96Å; F128-M224 HydrophobicContact CD2-CG 3.78Å; F128-M224 HydrophobicContact CD2-SD 3.9Å; F128-M224 HydrophobicContact CE2-CG 4.07Å; F128-M224 HydrophobicContact CE2-SD 4.22Å; F128-M224 PolarHBondContact N-O 2.89Å
129	S	97.3	Very high	95.2	Very high	70 Å²	70	47.5 Å²	47.5	49%	0.49	22%	0.222	S	C	.	.			trans	-65.5	151.1	167.7	67.7	0	0	0	0	110.4	P131 R132 A133	S129-P131 VanDerWaalsContact C-CD 3.48Å; S129-P131 VanDerWaalsContact C-N 3.31Å; S129-R132 PolarHBondContact O-N 3.4Å; S129-R132 PolarHBondContact OG-N 3.49Å; S129-A133 PolarHBondContact O-N 3.16Å
130	E	98	Very high	95.5	Very high	32 Å²	32	45 Å²	45	15%	0.15	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-39.5	177	-69.1	-175.8	-149.1	0	0	113.3	R132 A133 R134 K254 S255 V258	E130-R132 PolarHBondContact O-N 2.89Å; E130-A133 PolarHBondContact O-N 3.08Å; E130-R134 WeakPolarHBondContact O-CB 3.1Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-K254 WeakPolarHBondContact OE1-CA 3.46Å; E130-S255 PolarHBondContact OE1-N 2.88Å; E130-S255 WeakPolarHBondContact OE2-CB 3.45Å; E130-S255 PolarHBondContact OE2-OG 3.5Å; E130-V258 HydrophobicContact CG-CG1 4.35Å
131	P	98.2	Very high	95.9	Very high	80 Å²	80	42.1 Å²	42.1	52%	0.519	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-40.7	173.3	-26.2	36.3	0	0	0	114	S129 F135	S129-P131 VanDerWaalsContact C-CD 3.48Å; S129-P131 VanDerWaalsContact C-N 3.31Å; P131-F135 PolarHBondContact O-N 2.83Å; P131-F135 VanDerWaalsContact O-N 3.12Å
132	R	98.1	Very high	96.2	Very high	15 Å²	15	42.5 Å²	42.5	6%	0.057	20%	0.202	C	C	.	.	H	α-helix	trans	-69.9	-45.4	177.6	177	169.6	-176.7	-165.7	-2.9	111.7	E125 F128 S129 E130 R134 F135 Y136 P305 Y306	E125-R132 IonicContact OE1-CZ 3.12Å; E125-R132 IonicContact OE1-NH1 3.97Å; E125-R132 PolarHBondContact OE1-NH1 2.9Å; E125-R132 IonicContact OE1-NH2 3.59Å; E125-R132 PolarHBondContact OE1-NH2 3.16Å; E125-R132 IonicContact OE2-CZ 3.27Å; E125-R132 IonicContact OE2-NH1 2.78Å; E125-R132 PolarHBondContact OE2-NH1 2.92Å; F128-R132 HydrophobicContact CB-CB 4.24Å; F128-R132 HydrophobicContact CB-CG 4.14Å; F128-R132 HydrophobicContact CD2-CG 4.39Å; F128-R132 VanDerWaalsContact CE1-CZ 3.48Å; F128-R132 HydrophobicContact CG-CG 4.17Å; S129-R132 PolarHBondContact O-N 3.4Å; S129-R132 PolarHBondContact OG-N 3.49Å; E130-R132 PolarHBondContact O-N 2.89Å; R132-R134 VanDerWaalsContact C-N 3.29Å; R132-R134 PolarHBondContact O-N 3.21Å; R132-F135 PolarHBondContact O-N 3Å; R132-Y136 HydrophobicContact CG-CD2 4.02Å; R132-Y136 HydrophobicContact CG-CE2 3.48Å; R132-Y136 VanDerWaalsContact CG-CE2 3.48Å; R132-Y136 VanDerWaalsContact NE-CE2 3.32Å; R132-Y136 PolarHBondContact NE-OH 3.31Å; R132-Y136 VanDerWaalsContact NE-OH 3.17Å; R132-Y136 PolarHBondContact O-N 3.09Å; R132-Y136 VanDerWaalsContact O-N 3.17Å; R132-P305 HydrophobicContact CB-CB 4.17Å; R132-P305 HydrophobicContact CB-CG 4.04Å; R132-P305 HydrophobicContact CG-CB 4.28Å; R132-P305 HydrophobicContact CG-CG 3.77Å; R132-Y306 VanDerWaalsContact NH2-CG 3.27Å
133	A	98.5	Very high	96.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-38.8	176.1	0	0	0	0	0	111.8	S129 E130 A137 L221 M224 I225	S129-A133 PolarHBondContact O-N 3.16Å; E130-A133 PolarHBondContact O-N 3.08Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.45Å; A133-L221 HydrophobicContact CB-CD1 3.9Å; A133-M224 HydrophobicContact CB-CB 4.04Å; A133-M224 HydrophobicContact CB-CE 4.19Å; A133-M224 HydrophobicContact CB-SD 4.33Å; A133-I225 HydrophobicContact CB-CD1 4.48Å; A133-I225 HydrophobicContact CB-CG1 4Å
134	R	98.8	Very high	96.8	Very high	43 Å²	43	36.3 Å²	36.3	16%	0.162	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-47	174	-177.8	-172	-62.3	122	7	112.3	E130 R132 A137 A138 F288 F289 I292	E130-R134 WeakPolarHBondContact O-CB 3.1Å; E130-R134 PolarHBondContact O-N 3.43Å; R132-R134 VanDerWaalsContact C-N 3.29Å; R132-R134 PolarHBondContact O-N 3.21Å; R134-A137 PolarHBondContact O-N 2.77Å; R134-A138 VanDerWaalsContact O-CB 3.31Å; R134-A138 WeakPolarHBondContact O-CB 3.04Å; R134-A138 PolarHBondContact O-N 3.47Å; R134-F288 HydrophobicContact CB-CD1 4.44Å; R134-F288 HydrophobicContact CB-CE1 3.62Å; R134-F288 HydrophobicContact CB-CE2 4.32Å; R134-F288 HydrophobicContact CB-CZ 3.53Å; R134-F288 WeakPolarHBondContact CD-O 3.42Å; R134-F288 HydrophobicContact CG-CD1 4.09Å; R134-F288 HydrophobicContact CG-CE1 3.74Å; R134-F288 HydrophobicContact CG-CZ 4.06Å; R134-F288 PolarHBondContact NE-O 2.85Å; R134-F289 HydrophobicContact CG-CD1 4.07Å; R134-F289 HydrophobicContact CG-CE1 4.42Å; R134-I292 HydrophobicContact CG-CD1 4.3Å; R134-I292 HydrophobicContact CG-CG1 4.17Å
135	F	98.8	Very high	97.3	Very high	10 Å²	10	28.9 Å²	28.9	4%	0.044	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-53.1	179.9	178	-92.2	0	0	0	110.6	P131 R132 A137 A138 E139 H169 L297 I302 P304 P305	P131-F135 PolarHBondContact O-N 2.83Å; P131-F135 VanDerWaalsContact O-N 3.12Å; R132-F135 PolarHBondContact O-N 3Å; F135-A137 PolarHBondContact O-N 2.68Å; F135-A138 WeakPolarHBondContact O-CB 3.32Å; F135-A138 PolarHBondContact O-N 3.35Å; F135-E139 VanDerWaalsContact CE1-CD 3.47Å; F135-E139 HydrophobicContact CE1-CG 4.34Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.44Å; F135-E139 WeakPolarHBondContact CE1-OE2 2.93Å; F135-E139 HydrophobicContact CZ-CG 4.42Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.43Å; F135-E139 PolarHBondContact O-N 3.5Å; F135-E139 VanDerWaalsContact O-N 3.14Å; F135-H169 AromaticContact CZ-ND1 3.72Å; F135-L297 HydrophobicContact CD2-CD1 4.44Å; F135-L297 HydrophobicContact CE2-CD1 4.23Å; F135-I302 HydrophobicContact CD2-CG2 3.97Å; F135-I302 HydrophobicContact CE2-CB 4.04Å; F135-I302 HydrophobicContact CE2-CG2 3.65Å; F135-P304 HydrophobicContact CE1-CB 4.01Å; F135-P304 HydrophobicContact CE1-CG 4.32Å; F135-P304 HydrophobicContact CZ-CB 4.02Å; F135-P304 HydrophobicContact CZ-CG 3.96Å; F135-P305 HydrophobicContact CB-CG 4.06Å; F135-P305 HydrophobicContact CD1-CG 3.9Å; F135-P305 HydrophobicContact CG-CG 4.04Å
136	Y	98.8	Very high	97.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-42.4	179.5	-60.5	-38	0	0	0	112.9	L118 F128 R132 A138 E139 V140 L164 V170 M224 Y306	L118-Y136 HydrophobicContact CD1-CD2 3.71Å; L118-Y136 HydrophobicContact CD1-CE2 3.76Å; L118-Y136 HydrophobicContact CD1-CG 4.35Å; F128-Y136 HydrophobicContact CD2-CD2 4.23Å; F128-Y136 HydrophobicContact CD2-CE2 4.21Å; F128-Y136 HydrophobicContact CE2-CD2 4.21Å; F128-Y136 HydrophobicContact CE2-CE2 4.03Å; R132-Y136 HydrophobicContact CG-CD2 4.02Å; R132-Y136 HydrophobicContact CG-CE2 3.48Å; R132-Y136 VanDerWaalsContact CG-CE2 3.48Å; R132-Y136 VanDerWaalsContact NE-CE2 3.32Å; R132-Y136 PolarHBondContact NE-OH 3.31Å; R132-Y136 VanDerWaalsContact NE-OH 3.17Å; R132-Y136 PolarHBondContact O-N 3.09Å; R132-Y136 VanDerWaalsContact O-N 3.17Å; Y136-A138 PolarHBondContact O-N 2.93Å; Y136-E139 PolarHBondContact O-N 3.16Å; Y136-V140 VanDerWaalsContact O-CG2 3.25Å; Y136-V140 WeakPolarHBondContact O-CG2 3.47Å; Y136-V140 PolarHBondContact O-N 3.1Å; Y136-L164 HydrophobicContact CD1-CD2 4.26Å; Y136-L164 HydrophobicContact CE1-CD2 3.78Å; Y136-V170 HydrophobicContact CD1-CG2 3.83Å; Y136-V170 HydrophobicContact CG-CG2 4.3Å; Y136-M224 HydrophobicContact CD2-SD 4.02Å; Y136-Y306 WeakPolarHBondContact OH-CB 3.26Å
137	A	98.8	Very high	98	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-33.6	176.4	0	0	0	0	0	112.2	A133 R134 F135 A141 L217 L221 M224 F289	A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.45Å; R134-A137 PolarHBondContact O-N 2.77Å; F135-A137 PolarHBondContact O-N 2.68Å; A137-A141 WeakPolarHBondContact O-CB 3.27Å; A137-A141 PolarHBondContact O-N 3.36Å; A137-L217 HydrophobicContact CB-CD1 4.29Å; A137-L221 HydrophobicContact CB-CD1 4.12Å; A137-M224 HydrophobicContact CB-CE 4.23Å; A137-F289 HydrophobicContact CB-CE1 4.08Å; A137-F289 HydrophobicContact CB-CZ 4.15Å
138	A	98.9	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68.3	-45.3	175.6	0	0	0	0	0	111.7	R134 F135 Y136 A141 S142 F289 I292 W294 L297	R134-A138 VanDerWaalsContact O-CB 3.31Å; R134-A138 WeakPolarHBondContact O-CB 3.04Å; R134-A138 PolarHBondContact O-N 3.47Å; F135-A138 WeakPolarHBondContact O-CB 3.32Å; F135-A138 PolarHBondContact O-N 3.35Å; Y136-A138 PolarHBondContact O-N 2.93Å; A138-A141 PolarHBondContact O-N 3.43Å; A138-S142 WeakPolarHBondContact O-CB 3.38Å; A138-S142 PolarHBondContact O-N 3.12Å; A138-F289 HydrophobicContact CB-CD1 3.86Å; A138-F289 HydrophobicContact CB-CE1 3.88Å; A138-I292 HydrophobicContact CB-CG1 4.26Å; A138-I292 HydrophobicContact CB-CG2 4.28Å; A138-W294 HydrophobicContact CB-CH2 3.97Å; A138-W294 HydrophobicContact CB-CZ3 4.08Å; A138-W294 WeakPolarHBondContact O-CZ3 3.4Å; A138-L297 HydrophobicContact CB-CD1 4.35Å; A138-L297 HydrophobicContact CB-CD2 3.75Å
139	E	98.8	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-43.7	177.7	-64.5	-170	144.2	0	0	111.8	F92 F135 Y136 S142 A143 H169 V170 L297	F92-E139 HydrophobicContact CD1-CB 4.24Å; F92-E139 HydrophobicContact CD1-CG 4.35Å; F92-E139 HydrophobicContact CD2-CB 3.76Å; F92-E139 HydrophobicContact CD2-CG 4.18Å; F92-E139 WeakPolarHBondContact CD2-O 3.39Å; F92-E139 HydrophobicContact CE1-CB 4.25Å; F92-E139 VanDerWaalsContact CE1-CD 3.46Å; F92-E139 HydrophobicContact CE1-CG 3.87Å; F92-E139 WeakPolarHBondContact CE1-OE1 3.5Å; F92-E139 HydrophobicContact CE2-CB 3.84Å; F92-E139 HydrophobicContact CE2-CG 3.74Å; F92-E139 HydrophobicContact CG-CB 4.01Å; F92-E139 HydrophobicContact CZ-CB 4.07Å; F92-E139 HydrophobicContact CZ-CG 3.55Å; F92-E139 VanDerWaalsContact CZ-OE1 3.29Å; F92-E139 WeakPolarHBondContact CZ-OE1 3.38Å; F135-E139 VanDerWaalsContact CE1-CD 3.47Å; F135-E139 HydrophobicContact CE1-CG 4.34Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.44Å; F135-E139 WeakPolarHBondContact CE1-OE2 2.93Å; F135-E139 HydrophobicContact CZ-CG 4.42Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.43Å; F135-E139 PolarHBondContact O-N 3.5Å; F135-E139 VanDerWaalsContact O-N 3.14Å; Y136-E139 PolarHBondContact O-N 3.16Å; E139-S142 WeakPolarHBondContact O-CB 3.26Å; E139-S142 PolarHBondContact O-N 2.82Å; E139-A143 PolarHBondContact O-N 3.25Å; E139-H169 IonicContact OE1-CE1 2.88Å; E139-H169 IonicContact OE1-CG 3.94Å; E139-H169 IonicContact OE1-ND1 3.83Å; E139-H169 PolarHBondContact OE1-ND1 3.32Å; E139-V170 HydrophobicContact CB-CB 3.87Å; E139-V170 HydrophobicContact CB-CG2 4.14Å; E139-V170 WeakPolarHBondContact OE2-CB 3.37Å; E139-V170 WeakPolarHBondContact OE2-CG2 3.45Å; E139-V170 PolarHBondContact OE2-N 2.91Å; E139-L297 HydrophobicContact CG-CD1 3.73Å; E139-L297 HydrophobicContact CG-CD2 4.42Å; E139-L297 HydrophobicContact CG-CG 4.16Å
140	V	98.8	Very high	97.9	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-47.2	174.3	176.1	0	0	0	0	110.7	Y136 S142 A143 V144 L157 I162 V170 L172 L217	Y136-V140 VanDerWaalsContact O-CG2 3.25Å; Y136-V140 WeakPolarHBondContact O-CG2 3.47Å; Y136-V140 PolarHBondContact O-N 3.1Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.22Å; V140-A143 WeakPolarHBondContact O-CB 3.33Å; V140-A143 PolarHBondContact O-N 2.86Å; V140-A143 VanDerWaalsContact O-N 3.17Å; V140-V144 HydrophobicContact CG1-CG2 4.25Å; V140-V144 WeakPolarHBondContact O-CG2 3.44Å; V140-V144 PolarHBondContact O-N 3.15Å; V140-L157 HydrophobicContact CG1-CD1 3.69Å; V140-L157 HydrophobicContact CG1-CD2 3.6Å; V140-L157 HydrophobicContact CG1-CG 4.27Å; V140-I162 HydrophobicContact CG2-CD1 4.11Å; V140-I162 HydrophobicContact CG2-CG1 4.45Å; V140-I162 HydrophobicContact CG2-CG2 4.36Å; V140-V170 HydrophobicContact CG2-CG1 3.9Å; V140-V170 HydrophobicContact CG2-CG2 4.27Å; V140-L172 HydrophobicContact CG1-CD2 4.43Å; V140-L172 HydrophobicContact CG2-CD2 4.24Å; V140-L217 HydrophobicContact CB-CD1 4.07Å; V140-L217 HydrophobicContact CG1-CD1 3.76Å
141	A	98.8	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-39.4	178.8	0	0	0	0	0	112.2	A137 A138 V144 G145 W214 L217 F280 I283 W294	A137-A141 WeakPolarHBondContact O-CB 3.27Å; A137-A141 PolarHBondContact O-N 3.36Å; A138-A141 PolarHBondContact O-N 3.43Å; A141-V144 PolarHBondContact O-N 3.07Å; A141-G145 PolarHBondContact O-N 3.03Å; A141-W214 HydrophobicContact CB-CZ3 4.17Å; A141-L217 HydrophobicContact CB-CD2 3.88Å; A141-F280 VanDerWaalsContact C-CE2 3.45Å; A141-F280 HydrophobicContact CB-CD2 4.32Å; A141-F280 HydrophobicContact CB-CE2 3.9Å; A141-F280 VanDerWaalsContact O-CD2 3.3Å; A141-F280 WeakPolarHBondContact O-CD2 3.46Å; A141-F280 WeakPolarHBondContact O-CE2 3.36Å; A141-I283 HydrophobicContact CB-CG2 3.92Å; A141-W294 HydrophobicContact CB-CH2 4.48Å
142	S	98.6	Very high	97.6	Very high	10 Å²	10	15.4 Å²	15.4	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-45.5	174.2	-173.8	0	0	0	0	111.5	H90 A138 E139 V140 Y146	H90-S142 PolarHBondContact NE2-O 3.14Å; H90-S142 PolarHBondContact NE2-OG 3.12Å; H90-S142 VanDerWaalsContact NE2-OG 3.1Å; A138-S142 WeakPolarHBondContact O-CB 3.38Å; A138-S142 PolarHBondContact O-N 3.12Å; E139-S142 WeakPolarHBondContact O-CB 3.26Å; E139-S142 PolarHBondContact O-N 2.82Å; V140-S142 VanDerWaalsContact C-N 3.31Å; V140-S142 PolarHBondContact O-N 3.22Å; S142-Y146 WeakPolarHBondContact O-CB 3.45Å; S142-Y146 PolarHBondContact O-N 3.4Å
143	A	98.3	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.1	-46.7	177.2	0	0	0	0	0	112.9	H90 F92 L93 E139 V140 Y146 L147 L172	H90-A143 VanDerWaalsContact CE1-CA 3.4Å; H90-A143 WeakPolarHBondContact CE1-CA 3.31Å; H90-A143 PolarHBondContact CE1-N 3.34Å; F92-A143 HydrophobicContact CB-CB 4.11Å; L93-A143 HydrophobicContact CD2-CB 3.59Å; L93-A143 HydrophobicContact CG-CB 4.26Å; E139-A143 PolarHBondContact O-N 3.25Å; V140-A143 WeakPolarHBondContact O-CB 3.33Å; V140-A143 PolarHBondContact O-N 2.86Å; V140-A143 VanDerWaalsContact O-N 3.17Å; A143-Y146 WeakPolarHBondContact O-CB 3.4Å; A143-Y146 PolarHBondContact O-N 3.33Å; A143-L147 WeakPolarHBondContact O-CG 3.5Å; A143-L147 PolarHBondContact O-N 3.38Å; A143-L172 HydrophobicContact CB-CD1 3.68Å; A143-L172 HydrophobicContact CB-CG 4.16Å
144	V	98.3	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-46.5	177.8	171.1	0	0	0	0	110.7	V140 A141 Y146 L147 H148 L157 L172 D213 W214	V140-V144 HydrophobicContact CG1-CG2 4.25Å; V140-V144 WeakPolarHBondContact O-CG2 3.44Å; V140-V144 PolarHBondContact O-N 3.15Å; A141-V144 PolarHBondContact O-N 3.07Å; V144-Y146 VanDerWaalsContact C-N 3.27Å; V144-Y146 PolarHBondContact O-N 3.36Å; V144-L147 WeakPolarHBondContact O-CB 3.37Å; V144-L147 PolarHBondContact O-N 2.88Å; V144-L147 VanDerWaalsContact O-N 3.08Å; V144-H148 WeakPolarHBondContact CG1-NE2 3.33Å; V144-H148 PolarHBondContact O-CD2 3.39Å; V144-H148 PolarHBondContact O-N 3.04Å; V144-L157 HydrophobicContact CG2-CD2 4.42Å; V144-L172 HydrophobicContact CG2-CD1 4.39Å; V144-D213 HydrophobicContact CG1-CB 3.73Å; V144-W214 HydrophobicContact CB-CH2 4.04Å; V144-W214 HydrophobicContact CB-CZ3 4.02Å; V144-W214 HydrophobicContact CG1-CE3 4.18Å; V144-W214 HydrophobicContact CG1-CH2 3.65Å; V144-W214 HydrophobicContact CG1-CZ2 4.06Å; V144-W214 HydrophobicContact CG1-CZ3 3.71Å
145	G	97.6	Very high	97.3	Very high	7 Å²	7	13.8 Å²	13.8	7%	0.072	8%	0.077	C	C	.	.	H	α-helix	trans	-59.1	-37.8	176.2	0	0	0	0	0	113	A141 H148 S149	A141-G145 PolarHBondContact O-N 3.03Å; G145-H148 PolarHBondContact O-N 3.17Å; G145-S149 PolarHBondContact O-N 3Å
146	Y	97.4	Very high	97.2	Very high	46 Å²	46	13.8 Å²	13.8	18%	0.18	8%	0.078	C	C	.	.	H	α-helix	trans	-63.8	-44.9	172.9	176.2	-101.7	0	0	0	112.3	K89 H90 L93 S142 A143 V144 H148 S149 L150	K89-Y146 WeakPolarHBondContact CB-OH 3.23Å; H90-Y146 HydrophobicContact CB-CD1 3.53Å; H90-Y146 HydrophobicContact CB-CE1 3.74Å; H90-Y146 HydrophobicContact CB-CG 3.96Å; H90-Y146 VanDerWaalsContact CD2-CB 3.44Å; H90-Y146 WeakPolarHBondContact CD2-CB 3.42Å; H90-Y146 AromaticContact CD2-CG 3.56Å; H90-Y146 AromaticContact CG-CD1 3.94Å; H90-Y146 AromaticContact CG-CG 3.95Å; L93-Y146 HydrophobicContact CD1-CD1 3.76Å; L93-Y146 HydrophobicContact CD1-CE1 4.13Å; S142-Y146 WeakPolarHBondContact O-CB 3.45Å; S142-Y146 PolarHBondContact O-N 3.4Å; A143-Y146 WeakPolarHBondContact O-CB 3.4Å; A143-Y146 PolarHBondContact O-N 3.33Å; V144-Y146 VanDerWaalsContact C-N 3.27Å; V144-Y146 PolarHBondContact O-N 3.36Å; Y146-H148 VanDerWaalsContact C-N 3.34Å; Y146-H148 PolarHBondContact O-N 2.86Å; Y146-S149 WeakPolarHBondContact O-CB 3.3Å; Y146-S149 PolarHBondContact O-N 3.11Å; Y146-S149 PolarHBondContact O-OG 2.79Å; Y146-L150 HydrophobicContact CD1-CD1 4.31Å; Y146-L150 HydrophobicContact CE1-CD1 3.64Å; Y146-L150 HydrophobicContact CE2-CD1 4.46Å; Y146-L150 PolarHBondContact O-N 2.94Å
147	L	96.6	Very high	97.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.4	-43.4	175.2	-69.2	173.4	0	0	0	111.8	L93 A143 V144 S149 L150 N151 I152 Y154 F175	L93-L147 HydrophobicContact CD1-CD2 3.79Å; L93-L147 HydrophobicContact CD1-CG 4.05Å; L93-L147 HydrophobicContact CD2-CD1 4.29Å; A143-L147 WeakPolarHBondContact O-CG 3.5Å; A143-L147 PolarHBondContact O-N 3.38Å; V144-L147 WeakPolarHBondContact O-CB 3.37Å; V144-L147 PolarHBondContact O-N 2.88Å; V144-L147 VanDerWaalsContact O-N 3.08Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 2.96Å; L147-L150 CarbonylContact O-C 3.2Å; L147-L150 WeakPolarHBondContact O-CA 3.46Å; L147-L150 WeakPolarHBondContact O-CB 3.13Å; L147-L150 PolarHBondContact O-N 3.47Å; L147-N151 PolarHBondContact O-N 3.01Å; L147-I152 CarbonylContact C-O 3.49Å; L147-I152 VanDerWaalsContact C-O 3.24Å; L147-I152 HydrophobicContact CB-CB 4.26Å; L147-I152 HydrophobicContact CD2-CB 4.4Å; L147-I152 HydrophobicContact CD2-CD1 4.47Å; L147-I152 HydrophobicContact CD2-CG2 4.26Å; L147-I152 PolarHBondContact O-N 3.24Å; L147-Y154 HydrophobicContact CD1-CD2 3.95Å; L147-Y154 HydrophobicContact CD1-CG 4.36Å; L147-F175 HydrophobicContact CD1-CE1 4.14Å; L147-F175 HydrophobicContact CD2-CE1 4.24Å
148	H	96.8	Very high	97.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-35.4	176.6	-69.5	-172.4	0	0	0	112.2	V144 G145 Y146 L150 N151 I152 R210 D213 W214 D279	V144-H148 WeakPolarHBondContact CG1-NE2 3.33Å; V144-H148 PolarHBondContact O-CD2 3.39Å; V144-H148 PolarHBondContact O-N 3.04Å; G145-H148 PolarHBondContact O-N 3.17Å; Y146-H148 VanDerWaalsContact C-N 3.34Å; Y146-H148 PolarHBondContact O-N 2.86Å; H148-L150 PolarHBondContact O-N 3.26Å; H148-N151 PolarHBondContact O-N 3.25Å; H148-I152 PolarHBondContact CD2-O 2.85Å; H148-I152 PolarHBondContact N-O 3.47Å; H148-R210 PolarHBondContact CE1-O 3Å; H148-R210 VanDerWaalsContact CE1-O 3.28Å; H148-R210 PolarHBondContact O-NH1 3.15Å; H148-D213 IonicContact CD2-OD2 3.4Å; H148-D213 IonicContact NE2-OD2 2.57Å; H148-D213 PolarHBondContact NE2-OD2 2.91Å; H148-D213 VanDerWaalsContact NE2-OD2 3.12Å; H148-W214 AromaticContact CE1-CE2 3.73Å; H148-W214 AromaticContact CE1-CZ2 3.82Å; H148-W214 AromaticContact CE1-NE1 3.72Å; H148-W214 AromaticContact ND1-CE2 3.85Å; H148-W214 AromaticContact ND1-CZ2 3.62Å; H148-W214 AromaticContact ND1-NE1 3.82Å; H148-D279 VanDerWaalsContact CB-OD2 3.29Å; H148-D279 WeakPolarHBondContact CB-OD2 3.5Å; H148-D279 IonicContact CE1-OD1 2.75Å; H148-D279 IonicContact CG-OD1 3.59Å; H148-D279 IonicContact CG-OD2 3.96Å; H148-D279 IonicContact ND1-OD1 3.51Å; H148-D279 PolarHBondContact ND1-OD1 3.25Å; H148-D279 IonicContact ND1-OD2 3.49Å; H148-D279 PolarHBondContact ND1-OD2 2.9Å
149	S	95.2	Very high	97	Very high	80 Å²	80	15.1 Å²	15.1	56%	0.559	8%	0.083	S	C	*	.	H	α-helix	trans	-65.1	-20.2	174.1	82.4	0	0	0	0	113.5	G145 Y146 L147	G145-S149 PolarHBondContact O-N 3Å; Y146-S149 WeakPolarHBondContact O-CB 3.3Å; Y146-S149 PolarHBondContact O-N 3.11Å; Y146-S149 PolarHBondContact O-OG 2.79Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 2.96Å
150	L	94.4	Very high	96.8	Very high	61 Å²	61	17.9 Å²	17.9	32%	0.319	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9	174	-59	179	0	0	0	112.7	Y146 L147 H148 I152	Y146-L150 HydrophobicContact CD1-CD1 4.31Å; Y146-L150 HydrophobicContact CE1-CD1 3.64Å; Y146-L150 HydrophobicContact CE2-CD1 4.46Å; Y146-L150 PolarHBondContact O-N 2.94Å; L147-L150 CarbonylContact O-C 3.2Å; L147-L150 WeakPolarHBondContact O-CA 3.46Å; L147-L150 WeakPolarHBondContact O-CB 3.13Å; L147-L150 PolarHBondContact O-N 3.47Å; H148-L150 PolarHBondContact O-N 3.26Å; L150-I152 VanDerWaalsContact C-N 3.29Å; L150-I152 HydrophobicContact CB-CD1 4.02Å; L150-I152 HydrophobicContact CB-CG1 4.11Å; L150-I152 HydrophobicContact CD1-CD1 4.45Å; L150-I152 PolarHBondContact O-N 3.35Å
151	N	94.5	Very high	96.7	Very high	46 Å²	46	18.3 Å²	18.3	25%	0.246	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	39.6	-173.2	-59.7	-40	0	0	0	112.8	L147 H148 E180 G181 V182	L147-N151 PolarHBondContact O-N 3.01Å; H148-N151 PolarHBondContact O-N 3.25Å; N151-E180 CarbonylContact O-C 3.5Å; N151-G181 PolarHBondContact O-N 2.93Å; N151-V182 PolarHBondContact O-N 3.26Å; N151-V182 VanDerWaalsContact O-N 3.1Å
152	I	94.8	Very high	96.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.3	176.5	-56.7	176.2	0	0	0	108.9	V83 K86 L147 H148 L150 C178 K179 E180	V83-I152 HydrophobicContact CG1-CD1 4.26Å; V83-I152 HydrophobicContact CG1-CG2 4.11Å; V83-I152 HydrophobicContact CG2-CD1 4.44Å; V83-I152 HydrophobicContact CG2-CG2 4.25Å; K86-I152 HydrophobicContact CB-CD1 4.32Å; K86-I152 HydrophobicContact CD-CD1 4.42Å; L147-I152 CarbonylContact C-O 3.49Å; L147-I152 VanDerWaalsContact C-O 3.24Å; L147-I152 HydrophobicContact CB-CB 4.26Å; L147-I152 HydrophobicContact CD2-CB 4.4Å; L147-I152 HydrophobicContact CD2-CD1 4.47Å; L147-I152 HydrophobicContact CD2-CG2 4.26Å; L147-I152 PolarHBondContact O-N 3.24Å; H148-I152 PolarHBondContact CD2-O 2.85Å; H148-I152 PolarHBondContact N-O 3.47Å; L150-I152 VanDerWaalsContact C-N 3.29Å; L150-I152 HydrophobicContact CB-CD1 4.02Å; L150-I152 HydrophobicContact CB-CG1 4.11Å; L150-I152 HydrophobicContact CD1-CD1 4.45Å; L150-I152 PolarHBondContact O-N 3.35Å; I152-C178 HydrophobicContact CG2-CB 4.07Å; I152-K179 WeakPolarHBondContact CA-O 3.22Å; I152-E180 HydrophobicContact CG1-CG 4.27Å
153	V	96.3	Very high	96.7	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.3	171.4	-168.6	0	0	0	0	108.8	R155 C178 K179 V182 R210 V212 D213	V153-R155 HydrophobicContact CB-CG 4.08Å; V153-R155 HydrophobicContact CG1-CG 3.55Å; V153-C178 CarbonylContact O-C 3.24Å; V153-C178 WeakPolarHBondContact O-CA 3.21Å; V153-K179 PolarHBondContact N-O 3.11Å; V153-K179 PolarHBondContact O-N 2.59Å; V153-V182 HydrophobicContact CG2-CB 3.77Å; V153-V182 HydrophobicContact CG2-CG1 3.94Å; V153-V182 HydrophobicContact CG2-CG2 3.86Å; V153-R210 HydrophobicContact CG2-CB 3.93Å; V153-V212 HydrophobicContact CG1-CG2 3.84Å; V153-D213 VanDerWaalsContact CG1-OD2 3.28Å; V153-D213 WeakPolarHBondContact CG1-OD2 3.5Å
154	Y	96.7	Very high	96.6	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.103	C	C	.	.			trans	-80	-47.1	-171.3	-176.1	-104.2	0	0	0	113.3	L147 D156 L157 N161 T173 F175 L177 C178 D213	L147-Y154 HydrophobicContact CD1-CD2 3.95Å; L147-Y154 HydrophobicContact CD1-CG 4.36Å; Y154-D156 VanDerWaalsContact C-N 3.27Å; Y154-D156 VanDerWaalsContact CE1-C 3.41Å; Y154-D156 WeakPolarHBondContact CE1-O 3.3Å; Y154-D156 PolarHBondContact O-N 3.44Å; Y154-L157 HydrophobicContact CD1-CB 3.87Å; Y154-L157 HydrophobicContact CE1-CB 3.97Å; Y154-L157 HydrophobicContact CE1-CD1 4.31Å; Y154-N161 WeakPolarHBondContact OH-CB 3.25Å; Y154-T173 PolarHBondContact OH-O 3.13Å; Y154-F175 HydrophobicContact CD2-CD1 4.18Å; Y154-F175 HydrophobicContact CD2-CE1 4.21Å; Y154-F175 HydrophobicContact CE2-CD1 4.11Å; Y154-F175 HydrophobicContact CE2-CE1 4.1Å; Y154-F175 HydrophobicContact CE2-CG 4.46Å; Y154-F175 HydrophobicContact CE2-CZ 4.4Å; Y154-L177 CarbonylContact O-C 3.51Å; Y154-C178 VanDerWaalsContact CD2-SG 3.56Å; Y154-D213 WeakPolarHBondContact CB-OD2 3.39Å; Y154-D213 PolarHBondContact N-OD2 3.39Å
155	R	97.1	Very high	96.6	Very high	20 Å²	20	20.5 Å²	20.5	8%	0.075	11%	0.109	C	C	.	.			trans	66.1	0.6	170.1	-52.1	-171.9	-63.8	173.1	0.1	118.4	V153 L177 C178 C192 Y208 V212 D213	V153-R155 HydrophobicContact CB-CG 4.08Å; V153-R155 HydrophobicContact CG1-CG 3.55Å; R155-L177 PolarHBondContact NE-O 2.91Å; R155-L177 PolarHBondContact NH2-O 3.07Å; R155-C178 PolarHBondContact NH2-O 2.9Å; R155-C192 VanDerWaalsContact CZ-SG 3.59Å; R155-Y208 WeakPolarHBondContact CD-OH 3.14Å; R155-Y208 HydrophobicContact CG-CE2 4.45Å; R155-Y208 PolarHBondContact NH1-OH 3.45Å; R155-V212 HydrophobicContact CG-CG2 4.31Å; R155-D213 WeakPolarHBondContact CA-OD1 3.42Å; R155-D213 PolarHBondContact N-OD1 2.98Å
156	D	95.8	Very high	96.5	Very high	11 Å²	11	22.2 Å²	22.2	6%	0.059	12%	0.12	C	C	.	.			trans	-138.8	41.4	177.7	-160.4	39.5	0	0	0	112.6	Y154 K158 N161 L177 T194	Y154-D156 VanDerWaalsContact C-N 3.27Å; Y154-D156 VanDerWaalsContact CE1-C 3.41Å; Y154-D156 WeakPolarHBondContact CE1-O 3.3Å; Y154-D156 PolarHBondContact O-N 3.44Å; D156-K158 PolarHBondContact O-N 3.31Å; D156-K158 IonicContact OD1-NZ 3.41Å; D156-K158 PolarHBondContact OD1-NZ 3.44Å; D156-K158 IonicContact OD2-NZ 2.85Å; D156-K158 PolarHBondContact OD2-NZ 3.34Å; D156-N161 PolarHBondContact O-ND2 3.03Å; D156-N161 PolarHBondContact OD2-ND2 3.25Å; D156-L177 HydrophobicContact CB-CB 4.13Å; D156-L177 HydrophobicContact CB-CD1 3.84Å; D156-L177 HydrophobicContact CB-CG 4.37Å; D156-T194 PolarHBondContact OD1-N 3.05Å; D156-T194 PolarHBondContact OD1-OG1 3.15Å
157	L	97.8	Very high	96.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.137	C	C	.	.			trans	-74.8	116	177.2	-177.4	68.3	0	0	0	110.6	V140 V144 Y154 I162 L172 C216 L217 V220	V140-L157 HydrophobicContact CG1-CD1 3.69Å; V140-L157 HydrophobicContact CG1-CD2 3.6Å; V140-L157 HydrophobicContact CG1-CG 4.27Å; V144-L157 HydrophobicContact CG2-CD2 4.42Å; Y154-L157 HydrophobicContact CD1-CB 3.87Å; Y154-L157 HydrophobicContact CE1-CB 3.97Å; Y154-L157 HydrophobicContact CE1-CD1 4.31Å; L157-I162 HydrophobicContact CD1-CD1 3.81Å; L157-I162 HydrophobicContact CD1-CG1 3.89Å; L157-L172 HydrophobicContact CD1-CD2 3.93Å; L157-C216 HydrophobicContact CB-CB 3.69Å; L157-C216 HydrophobicContact CD2-CB 4.22Å; L157-C216 HydrophobicContact CG-CB 4.32Å; L157-L217 HydrophobicContact CD2-CB 4.01Å; L157-L217 HydrophobicContact CD2-CD1 4.48Å; L157-V220 HydrophobicContact CG-CG2 4.29Å
158	K	97.4	Very high	96.4	Very high	29 Å²	29	25.4 Å²	25.4	13%	0.126	14%	0.137	C	C	.	.			trans	-156.5	159.6	-179.3	64.6	-172.4	-176.4	-140.8	0	110.3	D156 E160 N161 I162 T194 Y197	D156-K158 PolarHBondContact O-N 3.31Å; D156-K158 IonicContact OD1-NZ 3.41Å; D156-K158 PolarHBondContact OD1-NZ 3.44Å; D156-K158 IonicContact OD2-NZ 2.85Å; D156-K158 PolarHBondContact OD2-NZ 3.34Å; K158-E160 WeakPolarHBondContact CB-OE2 3.41Å; K158-E160 HydrophobicContact CD-CB 4.48Å; K158-E160 WeakPolarHBondContact CD-OE2 3.5Å; K158-E160 HydrophobicContact CG-CB 4.3Å; K158-E160 WeakPolarHBondContact CG-OE2 3.21Å; K158-E160 PolarHBondContact O-N 2.9Å; K158-E160 VanDerWaalsContact O-N 3.15Å; K158-N161 HydrophobicContact CG-CB 4.16Å; K158-N161 PolarHBondContact O-N 3.4Å; K158-I162 WeakPolarHBondContact O-CG1 3.28Å; K158-I162 PolarHBondContact O-N 3.06Å; K158-T194 HydrophobicContact CD-CG2 4.09Å; K158-T194 VanDerWaalsContact CD-OG1 3.3Å; K158-T194 WeakPolarHBondContact CD-OG1 3.4Å; K158-T194 PolarHBondContact NZ-OG1 3.07Å; K158-Y197 HydrophobicContact CB-CD1 4.45Å; K158-Y197 HydrophobicContact CB-CD2 3.81Å; K158-Y197 HydrophobicContact CB-CE1 4.31Å; K158-Y197 HydrophobicContact CB-CE2 3.63Å; K158-Y197 HydrophobicContact CB-CG 4.23Å
159	P	97.1	Very high	96.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.5	-176.2	-22.5	33.8	0	0	0	114.9	L118 F119 N161 I162 Y197 E223	L118-P159 HydrophobicContact CB-CB 4.33Å; L118-P159 WeakPolarHBondContact CB-O 3.46Å; L118-P159 PolarHBondContact N-O 3.11Å; F119-P159 HydrophobicContact CB-CB 3.81Å; F119-P159 HydrophobicContact CD2-CB 4.26Å; F119-P159 PolarHBondContact N-O 2.86Å; P159-N161 VanDerWaalsContact C-N 3.34Å; P159-I162 PolarHBondContact O-N 3.15Å; P159-Y197 VanDerWaalsContact CD-CZ 3.47Å; P159-Y197 WeakPolarHBondContact CD-OH 3.34Å; P159-E223 WeakPolarHBondContact CG-OE2 3.4Å
160	E	95.3	Very high	96.7	Very high	57 Å²	57	22 Å²	22	27%	0.266	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-30.3	177.5	-57.2	92.7	143.3	0	0	112.2	F119 K158	F119-E160 HydrophobicContact CB-CG 4.04Å; F119-E160 HydrophobicContact CD1-CG 4.36Å; F119-E160 HydrophobicContact CD2-CG 4.35Å; F119-E160 HydrophobicContact CG-CG 4.01Å; K158-E160 WeakPolarHBondContact CB-OE2 3.41Å; K158-E160 HydrophobicContact CD-CB 4.48Å; K158-E160 WeakPolarHBondContact CD-OE2 3.5Å; K158-E160 HydrophobicContact CG-CB 4.3Å; K158-E160 WeakPolarHBondContact CG-OE2 3.21Å; K158-E160 PolarHBondContact O-N 2.9Å; K158-E160 VanDerWaalsContact O-N 3.15Å
161	N	96.8	Very high	96.8	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.064	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.8	179.2	-71.3	-9.7	0	0	0	112.9	Y154 D156 K158 P159 T173	Y154-N161 WeakPolarHBondContact OH-CB 3.25Å; D156-N161 PolarHBondContact O-ND2 3.03Å; D156-N161 PolarHBondContact OD2-ND2 3.25Å; K158-N161 HydrophobicContact CG-CB 4.16Å; K158-N161 PolarHBondContact O-N 3.4Å; P159-N161 VanDerWaalsContact C-N 3.34Å; N161-T173 PolarHBondContact O-N 2.99Å; N161-T173 PolarHBondContact O-OG1 3.29Å
162	I	98.3	Very high	97	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	105	177.3	-58.6	166.3	0	0	0	107.7	L118 V140 L157 K158 P159 V170 L172 V220	L118-I162 HydrophobicContact CB-CB 3.98Å; L118-I162 HydrophobicContact CB-CG2 4Å; L118-I162 WeakPolarHBondContact CB-O 3.43Å; L118-I162 HydrophobicContact CD2-CB 4.24Å; L118-I162 HydrophobicContact CD2-CD1 3.99Å; L118-I162 HydrophobicContact CD2-CG2 3.99Å; L118-I162 HydrophobicContact CG-CG2 4.5Å; L118-I162 PolarHBondContact N-O 3.07Å; V140-I162 HydrophobicContact CG2-CD1 4.11Å; V140-I162 HydrophobicContact CG2-CG1 4.45Å; V140-I162 HydrophobicContact CG2-CG2 4.36Å; L157-I162 HydrophobicContact CD1-CD1 3.81Å; L157-I162 HydrophobicContact CD1-CG1 3.89Å; K158-I162 WeakPolarHBondContact O-CG1 3.28Å; K158-I162 PolarHBondContact O-N 3.06Å; P159-I162 PolarHBondContact O-N 3.15Å; I162-V170 HydrophobicContact CG2-CB 4.43Å; I162-V170 HydrophobicContact CG2-CG1 3.82Å; I162-V170 HydrophobicContact CG2-CG2 3.93Å; I162-L172 HydrophobicContact CB-CD2 4.4Å; I162-L172 HydrophobicContact CG1-CD2 3.68Å; I162-L172 HydrophobicContact CG2-CD2 4.49Å; I162-V220 HydrophobicContact CD1-CG1 3.72Å; I162-V220 HydrophobicContact CD1-CG2 4.41Å
163	L	97.7	Very high	97	Very high	30 Å²	30	18.4 Å²	18.4	16%	0.157	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	158.9	175.7	-57.2	-169.8	0	0	0	111	V113 G116 E117 V170 V171 T173	V113-L163 HydrophobicContact CB-CB 4.15Å; V113-L163 HydrophobicContact CB-CD1 3.81Å; V113-L163 HydrophobicContact CG1-CB 3.52Å; V113-L163 HydrophobicContact CG1-CD1 4.14Å; V113-L163 HydrophobicContact CG1-CG 4.5Å; V113-L163 HydrophobicContact CG2-CD1 4.47Å; G116-L163 WeakPolarHBondContact O-CA 3.25Å; E117-L163 HydrophobicContact CB-CD2 4.06Å; E117-L163 HydrophobicContact CG-CD2 3.41Å; E117-L163 VanDerWaalsContact CG-CD2 3.41Å; L163-V170 CarbonylContact O-C 3.52Å; L163-V170 WeakPolarHBondContact O-CA 3.35Å; L163-V171 PolarHBondContact N-O 3.36Å; L163-V171 PolarHBondContact O-N 2.85Å; L163-T173 HydrophobicContact CB-CG2 4.4Å; L163-T173 HydrophobicContact CD1-CG2 3.55Å; L163-T173 HydrophobicContact CG-CG2 3.73Å
164	L	97.8	Very high	96.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.3	168.2	-58.7	-174.9	0	0	0	110.4	V113 G115 G116 L118 Y136 H169 V170 Y306 P308	V113-L164 VanDerWaalsContact CG1-C 3.48Å; V113-L164 WeakPolarHBondContact CG1-O 3.42Å; G115-L164 CarbonylContact C-O 3.48Å; G115-L164 WeakPolarHBondContact CA-O 3.42Å; G115-L164 PolarHBondContact N-O 3.49Å; G116-L164 PolarHBondContact O-N 2.94Å; L118-L164 HydrophobicContact CD1-CD2 4.41Å; Y136-L164 HydrophobicContact CD1-CD2 4.26Å; Y136-L164 HydrophobicContact CE1-CD2 3.78Å; L164-H169 CarbonylContact C-O 3.49Å; L164-H169 WeakPolarHBondContact CA-O 3.16Å; L164-V170 HydrophobicContact CD2-CG2 4.27Å; L164-Y306 HydrophobicContact CD1-CD1 3.85Å; L164-Y306 HydrophobicContact CD1-CE1 4.11Å; L164-P308 HydrophobicContact CB-CG 4.26Å
165	D	96.5	Very high	96.5	Very high	26 Å²	26	21.5 Å²	21.5	14%	0.139	11%	0.111	C	C	.	.			trans	-73.9	175.9	170.8	75.8	16.8	0	0	0	112.1	V113 Q167 G168 H169 V171 K300 P308	V113-D165 HydrophobicContact CG1-CB 4.4Å; D165-Q167 PolarHBondContact O-N 3.37Å; D165-Q167 WeakPolarHBondContact OD1-CA 3.35Å; D165-Q167 WeakPolarHBondContact OD1-CB 3.3Å; D165-Q167 PolarHBondContact OD1-N 3.5Å; D165-G168 PolarHBondContact O-N 3.17Å; D165-G168 PolarHBondContact OD1-N 3.49Å; D165-H169 PolarHBondContact N-O 3.17Å; D165-H169 IonicContact OD1-CD2 2.65Å; D165-H169 PolarHBondContact OD1-N 3.19Å; D165-H169 IonicContact OD2-CD2 3.14Å; D165-V171 HydrophobicContact CB-CG2 4.11Å; D165-K300 IonicContact OD2-NZ 3.71Å; D165-K300 PolarHBondContact OD2-NZ 3.25Å; D165-P308 WeakPolarHBondContact O-CG 3.46Å
166	S	95.6	Very high	96.2	Very high	43 Å²	43	21.6 Å²	21.6	30%	0.301	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-20.7	-178.5	66.6	0	0	0	0	115	N114	N114-S166 WeakPolarHBondContact OD1-CB 3.2Å
167	Q	96	Very high	96	Very high	112 Å²	112	24 Å²	24	52%	0.523	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.1	178.1	-58.4	-54.7	-61	0	0	112.1	D165 P304	D165-Q167 PolarHBondContact O-N 3.37Å; D165-Q167 WeakPolarHBondContact OD1-CA 3.35Å; D165-Q167 WeakPolarHBondContact OD1-CB 3.3Å; D165-Q167 PolarHBondContact OD1-N 3.5Å; Q167-P304 WeakPolarHBondContact O-CB 3.36Å; Q167-P304 WeakPolarHBondContact O-CG 3.34Å
168	G	97.4	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	101.7	12.5	179.8	0	0	0	0	0	114.8	D165 Y306	D165-G168 PolarHBondContact O-N 3.17Å; D165-G168 PolarHBondContact OD1-N 3.49Å; G168-Y306 WeakPolarHBondContact CA-O 3.42Å
169	H	98.5	Very high	95.5	Very high	11 Å²	11	27 Å²	27	5%	0.051	15%	0.145	C	C	.	.			trans	-81.3	150.1	172	-65	-81.9	0	0	0	111.4	F92 F135 E139 L164 D165 K300 I302 P304	F92-H169 HydrophobicContact CD1-CB 4.47Å; F92-H169 HydrophobicContact CE1-CB 4.18Å; F135-H169 AromaticContact CZ-ND1 3.72Å; E139-H169 IonicContact OE1-CE1 2.88Å; E139-H169 IonicContact OE1-CG 3.94Å; E139-H169 IonicContact OE1-ND1 3.83Å; E139-H169 PolarHBondContact OE1-ND1 3.32Å; L164-H169 CarbonylContact C-O 3.49Å; L164-H169 WeakPolarHBondContact CA-O 3.16Å; D165-H169 PolarHBondContact N-O 3.17Å; D165-H169 IonicContact OD1-CD2 2.65Å; D165-H169 PolarHBondContact OD1-N 3.19Å; D165-H169 IonicContact OD2-CD2 3.14Å; H169-K300 HydrophobicContact CB-CD 4.4Å; H169-I302 PolarHBondContact CE1-O 2.98Å; H169-P304 VanDerWaalsContact CE1-CG 3.47Å; H169-P304 WeakPolarHBondContact CE1-CG 3.35Å; H169-P304 WeakPolarHBondContact NE2-CG 3.3Å
170	V	98.3	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.8	174.7	165.1	0	0	0	0	111.6	F92 Y136 E139 V140 I162 L163 L164 L172	F92-V170 WeakPolarHBondContact CA-O 3.4Å; F92-V170 WeakPolarHBondContact CB-O 3.38Å; F92-V170 WeakPolarHBondContact CD1-O 3.25Å; Y136-V170 HydrophobicContact CD1-CG2 3.83Å; Y136-V170 HydrophobicContact CG-CG2 4.3Å; E139-V170 HydrophobicContact CB-CB 3.87Å; E139-V170 HydrophobicContact CB-CG2 4.14Å; E139-V170 WeakPolarHBondContact OE2-CB 3.37Å; E139-V170 WeakPolarHBondContact OE2-CG2 3.45Å; E139-V170 PolarHBondContact OE2-N 2.91Å; V140-V170 HydrophobicContact CG2-CG1 3.9Å; V140-V170 HydrophobicContact CG2-CG2 4.27Å; I162-V170 HydrophobicContact CG2-CB 4.43Å; I162-V170 HydrophobicContact CG2-CG1 3.82Å; I162-V170 HydrophobicContact CG2-CG2 3.93Å; L163-V170 CarbonylContact O-C 3.52Å; L163-V170 WeakPolarHBondContact O-CA 3.35Å; L164-V170 HydrophobicContact CD2-CG2 4.27Å; V170-L172 HydrophobicContact CG1-CD2 4.04Å; V170-L172 HydrophobicContact CG1-CG 4.43Å
171	V	97.9	Very high	94.8	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.055	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.5	163	-174.5	0	0	0	0	108.3	V94 V113 L163 D165 T173	V94-V171 HydrophobicContact CB-CG1 3.99Å; V94-V171 HydrophobicContact CG2-CG1 4.42Å; V113-V171 HydrophobicContact CG1-CB 4.19Å; V113-V171 HydrophobicContact CG1-CG2 4.14Å; V113-V171 HydrophobicContact CG2-CB 4.07Å; V113-V171 HydrophobicContact CG2-CG1 3.91Å; V113-V171 HydrophobicContact CG2-CG2 4.19Å; L163-V171 PolarHBondContact N-O 3.36Å; L163-V171 PolarHBondContact O-N 2.85Å; D165-V171 HydrophobicContact CB-CG2 4.11Å; V171-T173 HydrophobicContact CG1-CG2 4.49Å
172	L	97.7	Very high	94.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.5	171.5	-59.9	-170.8	0	0	0	110.2	F92 L93 V94 V140 A143 V144 L157 I162 V170	F92-L172 PolarHBondContact O-N 3.12Å; L93-L172 HydrophobicContact CD2-CB 3.85Å; L93-L172 HydrophobicContact CD2-CD1 3.95Å; L93-L172 HydrophobicContact CD2-CG 4.18Å; V94-L172 WeakPolarHBondContact CB-O 3.47Å; V94-L172 PolarHBondContact N-O 3.15Å; V140-L172 HydrophobicContact CG1-CD2 4.43Å; V140-L172 HydrophobicContact CG2-CD2 4.24Å; A143-L172 HydrophobicContact CB-CD1 3.68Å; A143-L172 HydrophobicContact CB-CG 4.16Å; V144-L172 HydrophobicContact CG2-CD1 4.39Å; L157-L172 HydrophobicContact CD1-CD2 3.93Å; I162-L172 HydrophobicContact CB-CD2 4.4Å; I162-L172 HydrophobicContact CG1-CD2 3.68Å; I162-L172 HydrophobicContact CG2-CD2 4.49Å; V170-L172 HydrophobicContact CG1-CD2 4.04Å; V170-L172 HydrophobicContact CG1-CG 4.43Å
173	T	94.9	Very high	93.9	Very high	23 Å²	23	34.3 Å²	34.3	14%	0.141	19%	0.194	C	C	.	.			trans	-121.9	-173.6	-179.2	64.8	0	0	0	0	111.3	V94 Y154 N161 L163 V171	V94-T173 HydrophobicContact CB-CG2 4.17Å; V94-T173 HydrophobicContact CG2-CG2 4.36Å; Y154-T173 PolarHBondContact OH-O 3.13Å; N161-T173 PolarHBondContact O-N 2.99Å; N161-T173 PolarHBondContact O-OG1 3.29Å; L163-T173 HydrophobicContact CB-CG2 4.4Å; L163-T173 HydrophobicContact CD1-CG2 3.55Å; L163-T173 HydrophobicContact CG-CG2 3.73Å; V171-T173 HydrophobicContact CG1-CG2 4.49Å
174	D	90.9	Very high	93	Very high	67 Å²	67	36.4 Å²	36.4	36%	0.358	21%	0.209	S	C	.	.			trans	44.4	86	177.8	-155.8	1.8	0	0	0	116.8	K61 G176	K61-D174 IonicContact NZ-OD1 3.68Å; D174-G176 VanDerWaalsContact C-N 3.29Å; D174-G176 PolarHBondContact O-N 2.81Å; D174-G176 PolarHBondContact OD1-N 3.23Å
175	F	92.3	Very high	92.3	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	25%	0.246	C	C	.	.			trans	-93.3	14.3	-179.5	-65.6	-103	0	0	0	112.1	E80 V83 L84 L93 V94 L147 Y154 L177 C178	E80-F175 HydrophobicContact CG-CB 4.3Å; V83-F175 HydrophobicContact CG1-CB 3.96Å; V83-F175 HydrophobicContact CG1-CD1 3.48Å; V83-F175 VanDerWaalsContact CG1-CD1 3.48Å; V83-F175 HydrophobicContact CG1-CE1 4.38Å; V83-F175 HydrophobicContact CG1-CG 4.05Å; L84-F175 HydrophobicContact CD2-CB 4.48Å; L84-F175 HydrophobicContact CD2-CD2 3.54Å; L84-F175 HydrophobicContact CD2-CE2 4.02Å; L84-F175 HydrophobicContact CD2-CG 4.07Å; L84-F175 HydrophobicContact CG-CB 4.37Å; L84-F175 HydrophobicContact CG-CD2 4.33Å; L84-F175 HydrophobicContact CG-CG 4.44Å; L93-F175 HydrophobicContact CB-CZ 4.23Å; L93-F175 HydrophobicContact CD2-CE1 4.26Å; L93-F175 HydrophobicContact CD2-CZ 3.96Å; V94-F175 HydrophobicContact CG1-CD2 4.11Å; V94-F175 HydrophobicContact CG1-CE2 3.54Å; L147-F175 HydrophobicContact CD1-CE1 4.14Å; L147-F175 HydrophobicContact CD2-CE1 4.24Å; Y154-F175 HydrophobicContact CD2-CD1 4.18Å; Y154-F175 HydrophobicContact CD2-CE1 4.21Å; Y154-F175 HydrophobicContact CE2-CD1 4.11Å; Y154-F175 HydrophobicContact CE2-CE1 4.1Å; Y154-F175 HydrophobicContact CE2-CG 4.46Å; Y154-F175 HydrophobicContact CE2-CZ 4.4Å; F175-L177 PolarHBondContact O-N 3.31Å; F175-C178 VanDerWaalsContact CD1-SG 3.56Å; F175-C178 WeakPolarHBondContact O-CB 3.38Å; F175-C178 PolarHBondContact O-N 3.3Å; F175-C178 VanDerWaalsContact O-N 3.09Å
176	G	90.1	Very high	92	Very high	22 Å²	22	44.5 Å²	44.5	23%	0.227	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.8	-174.3	0	0	0	0	0	114.5	D174	D174-G176 VanDerWaalsContact C-N 3.29Å; D174-G176 PolarHBondContact O-N 2.81Å; D174-G176 PolarHBondContact OD1-N 3.23Å
177	L	90.9	Very high	91.9	Very high	61 Å²	61	46.6 Å²	46.6	32%	0.319	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	4.9	177.4	-61.9	-171.1	0	0	0	113.6	Y154 R155 D156 F175 C192	Y154-L177 CarbonylContact O-C 3.51Å; R155-L177 PolarHBondContact NE-O 2.91Å; R155-L177 PolarHBondContact NH2-O 3.07Å; D156-L177 HydrophobicContact CB-CB 4.13Å; D156-L177 HydrophobicContact CB-CD1 3.84Å; D156-L177 HydrophobicContact CB-CG 4.37Å; F175-L177 PolarHBondContact O-N 3.31Å; L177-C192 HydrophobicContact CD1-CB 4.31Å; L177-C192 HydrophobicContact CD2-CB 4.41Å
178	C	93.6	Very high	91.9	Very high	10 Å²	10	42 Å²	42	7%	0.068	24%	0.242	C	C	.	.			trans	-62.9	152.6	177.6	-71.1	0	0	0	0	112.5	V83 I152 V153 Y154 R155 F175	V83-C178 HydrophobicContact CB-CB 4.39Å; V83-C178 HydrophobicContact CG1-CB 4.02Å; V83-C178 HydrophobicContact CG2-CB 3.81Å; I152-C178 HydrophobicContact CG2-CB 4.07Å; V153-C178 CarbonylContact O-C 3.24Å; V153-C178 WeakPolarHBondContact O-CA 3.21Å; Y154-C178 VanDerWaalsContact CD2-SG 3.56Å; R155-C178 PolarHBondContact NH2-O 2.9Å; F175-C178 VanDerWaalsContact CD1-SG 3.56Å; F175-C178 WeakPolarHBondContact O-CB 3.38Å; F175-C178 PolarHBondContact O-N 3.3Å; F175-C178 VanDerWaalsContact O-N 3.09Å
179	K	91.6	Very high	91.7	Very high	84 Å²	84	46.4 Å²	46.4	37%	0.365	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.1	174.2	-172.7	65.6	176.1	176.7	0	110.1	I152 V153 V182 T188	I152-K179 WeakPolarHBondContact CA-O 3.22Å; V153-K179 PolarHBondContact N-O 3.11Å; V153-K179 PolarHBondContact O-N 2.59Å; K179-V182 HydrophobicContact CB-CG2 4.09Å; K179-V182 HydrophobicContact CG-CG2 3.52Å; K179-T188 HydrophobicContact CG-CG2 4.44Å
180	E	90.6	Very high	91.5	Very high	44 Å²	44	49.1 Å²	49.1	21%	0.206	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	157.6	173.7	-57.2	-177.9	77.4	0	0	112	N82 V83 K86 N151 I152	N82-E180 VanDerWaalsContact CB-OE2 3.32Å; N82-E180 WeakPolarHBondContact CB-OE2 3.45Å; V83-E180 HydrophobicContact CG2-CG 3.36Å; K86-E180 WeakPolarHBondContact CD-OE1 3.2Å; K86-E180 VanDerWaalsContact CE-OE1 3.26Å; K86-E180 WeakPolarHBondContact CE-OE1 3.41Å; K86-E180 IonicContact NZ-OE1 3.02Å; K86-E180 PolarHBondContact NZ-OE1 3.27Å; N151-E180 CarbonylContact O-C 3.5Å; I152-E180 HydrophobicContact CG1-CG 4.27Å
181	G	86.9	Confident	91.3	Very high	57 Å²	57	54.3 Å²	54.3	59%	0.588	31%	0.313	S	S	*	.			trans	76.1	22.6	171.8	0	0	0	0	0	113.7	N151 E183	N151-G181 PolarHBondContact O-N 2.93Å; G181-E183 PolarHBondContact O-N 2.88Å
182	V	87.8	Confident	91.1	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.03	32%	0.316	C	S	.	.			trans	-90.5	83.2	174.7	-169.2	0	0	0	0	108.1	N151 V153 K179 A186 R210	N151-V182 PolarHBondContact O-N 3.26Å; N151-V182 VanDerWaalsContact O-N 3.1Å; V153-V182 HydrophobicContact CG2-CB 3.77Å; V153-V182 HydrophobicContact CG2-CG1 3.94Å; V153-V182 HydrophobicContact CG2-CG2 3.86Å; K179-V182 HydrophobicContact CB-CG2 4.09Å; K179-V182 HydrophobicContact CG-CG2 3.52Å; V182-A186 HydrophobicContact CG1-CB 4.29Å; V182-A186 WeakPolarHBondContact CG1-O 3.27Å; V182-R210 PolarHBondContact O-NH2 3.35Å
183	E	87.9	Confident	90.9	Very high	116 Å²	116	55.9 Å²	55.9	54%	0.542	33%	0.329	S	S	.	.			trans	-60.3	163.2	171.6	-63.4	-168.5	155.3	0	0	111.2	G181 E185 A186 R210	G181-E183 PolarHBondContact O-N 2.88Å; E183-E185 PolarHBondContact O-N 2.92Å; E183-E185 VanDerWaalsContact O-N 3.09Å; E183-A186 HydrophobicContact CB-CB 4.24Å; E183-A186 WeakPolarHBondContact O-CB 3.43Å; E183-A186 PolarHBondContact O-N 2.85Å; E183-R210 VanDerWaalsContact C-NH2 3.33Å
184	P	80.3	Confident	90.9	Very high	74 Å²	74	56 Å²	56	48%	0.481	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.2	-173.8	-27.7	35.8	0	0	0	114.8
185	E	82.6	Confident	91.2	Very high	163 Å²	163	55 Å²	55	76%	0.762	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.7	179.3	-56.6	74.5	-164.2	0	0	113.3	E183	E183-E185 PolarHBondContact O-N 2.92Å; E183-E185 VanDerWaalsContact O-N 3.09Å
186	A	90.5	Very high	91.4	Very high	32 Å²	32	57.8 Å²	57.8	26%	0.264	34%	0.34	S	S	.	.			trans	-89.2	148.4	-177.6	0	0	0	0	0	111.6	V182 E183	V182-A186 HydrophobicContact CG1-CB 4.29Å; V182-A186 WeakPolarHBondContact CG1-O 3.27Å; E183-A186 HydrophobicContact CB-CB 4.24Å; E183-A186 WeakPolarHBondContact O-CB 3.43Å; E183-A186 PolarHBondContact O-N 2.85Å
187	T	94.2	Very high	91.8	Very high	88 Å²	88	57.2 Å²	57.2	54%	0.54	33%	0.331	S	S	.	.			trans	-124.8	163.4	175.3	56.2	0	0	0	0	111.3	P207 Y208	T187-P207 HydrophobicContact CG2-CB 4.27Å; T187-Y208 CarbonylContact C-O 3.55Å; T187-Y208 VanDerWaalsContact CA-O 3.27Å; T187-Y208 WeakPolarHBondContact CA-O 3.07Å; T187-Y208 WeakPolarHBondContact CB-O 3.02Å
188	T	94.1	Very high	92.1	Very high	15 Å²	15	54.5 Å²	54.5	9%	0.092	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-129.4	166	167.5	-161.1	0	0	0	0	110.2	K179 P207 Y208	K179-T188 HydrophobicContact CG-CG2 4.44Å; T188-P207 CarbonylContact O-C 3.56Å; T188-P207 WeakPolarHBondContact O-CA 3.48Å; T188-Y208 HydrophobicContact CG2-CD2 3.93Å; T188-Y208 HydrophobicContact CG2-CE1 4.1Å; T188-Y208 HydrophobicContact CG2-CE2 3.31Å; T188-Y208 VanDerWaalsContact CG2-CZ 3.41Å; T188-Y208 PolarHBondContact N-O 2.89Å; T188-Y208 WeakPolarHBondContact O-CD1 3.42Å; T188-Y208 PolarHBondContact O-N 3.06Å
189	S	94.4	Very high	92.3	Very high	92 Å²	92	54.1 Å²	54.1	64%	0.643	31%	0.314	S	S	*	.			trans	-134.9	10	-172.1	57.3	0	0	0	0	113.4	F191	S189-F191 PolarHBondContact O-N 3.37Å
190	T	93.3	Very high	92.7	Very high	68 Å²	68	50.1 Å²	50.1	42%	0.417	30%	0.297	S	S	.	.			trans	-69.5	122.6	178.6	-49.4	0	0	0	0	109.9	C192 Y208	T190-C192 HydrophobicContact CG2-CB 4.35Å; T190-C192 PolarHBondContact O-N 3.49Å; T190-Y208 VanDerWaalsContact O-CE1 3.31Å; T190-Y208 WeakPolarHBondContact O-CE1 3.49Å; T190-Y208 PolarHBondContact O-OH 3.33Å
191	F	95.1	Very high	93	Very high	109 Å²	109	48.1 Å²	48.1	48%	0.478	29%	0.287	S	S	.	.			trans	-74.8	104.9	170.5	-170	-83.1	0	0	0	109.4	S189 L198 I202 L203 K205	S189-F191 PolarHBondContact O-N 3.37Å; F191-L198 HydrophobicContact CE1-CD1 4.28Å; F191-L198 HydrophobicContact CZ-CD1 3.87Å; F191-I202 HydrophobicContact CD2-CG2 3.89Å; F191-I202 WeakPolarHBondContact CD2-O 3.46Å; F191-I202 HydrophobicContact CE2-CG2 4.12Å; F191-I202 WeakPolarHBondContact CE2-O 3.25Å; F191-I202 HydrophobicContact CG-CG2 4.43Å; F191-L203 HydrophobicContact CE2-CD2 4.31Å; F191-L203 HydrophobicContact CZ-CD2 4.23Å; F191-K205 HydrophobicContact CD2-CG 4.42Å
192	C	93.8	Very high	93.6	Very high	17 Å²	17	45.8 Å²	45.8	12%	0.115	26%	0.261	C	S	.	.			trans	-153.1	165.7	-179.8	63.2	0	0	0	0	111.1	R155 L177 T190 L198	R155-C192 VanDerWaalsContact CZ-SG 3.59Å; L177-C192 HydrophobicContact CD1-CB 4.31Å; L177-C192 HydrophobicContact CD2-CB 4.41Å; T190-C192 HydrophobicContact CG2-CB 4.35Å; T190-C192 PolarHBondContact O-N 3.49Å; C192-L198 WeakPolarHBondContact O-CD2 3.43Å
193	G	93.5	Very high	94	Very high	26 Å²	26	46.6 Å²	46.6	27%	0.268	27%	0.265	S	S	.	.	S	Bend	trans	115.8	176.8	-176.3	0	0	0	0	0	111.5
194	T	94.3	Very high	94.5	Very high	26 Å²	26	45.7 Å²	45.7	16%	0.16	26%	0.257	C	S	.	.			trans	-94.6	131.1	-178.1	-59.9	0	0	0	0	109.9	D156 K158 E196 Y197 L198	D156-T194 PolarHBondContact OD1-N 3.05Å; D156-T194 PolarHBondContact OD1-OG1 3.15Å; K158-T194 HydrophobicContact CD-CG2 4.09Å; K158-T194 VanDerWaalsContact CD-OG1 3.3Å; K158-T194 WeakPolarHBondContact CD-OG1 3.4Å; K158-T194 PolarHBondContact NZ-OG1 3.07Å; T194-E196 VanDerWaalsContact C-N 3.29Å; T194-E196 WeakPolarHBondContact CG2-OE2 3.25Å; T194-E196 PolarHBondContact O-N 3.46Å; T194-E196 VanDerWaalsContact O-N 3.07Å; T194-Y197 HydrophobicContact CG2-CD2 3.89Å; T194-Y197 HydrophobicContact CG2-CE2 4.13Å; T194-Y197 PolarHBondContact O-N 3.48Å; T194-L198 PolarHBondContact O-N 3.03Å
195	P	96.4	Very high	95.3	Very high	46 Å²	46	50.3 Å²	50.3	30%	0.299	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-47.5	-42.4	-166.9	-32.9	37.6	0	0	0	116.2	Y197 M239 Y240	P195-Y197 PolarHBondContact O-N 2.99Å; P195-M239 HydrophobicContact CB-CE 3.59Å; P195-Y240 HydrophobicContact CB-CE1 4.06Å
196	E	96.9	Very high	96	Very high	59 Å²	59	46.6 Å²	46.6	28%	0.276	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-67.5	-20.8	-177.6	-63.5	79.8	175.4	0	0	113.4	T194 P229 Y232 M239	T194-E196 VanDerWaalsContact C-N 3.29Å; T194-E196 WeakPolarHBondContact CG2-OE2 3.25Å; T194-E196 PolarHBondContact O-N 3.46Å; T194-E196 VanDerWaalsContact O-N 3.07Å; E196-P229 HydrophobicContact CB-CB 4.19Å; E196-P229 HydrophobicContact CB-CG 3.98Å; E196-P229 HydrophobicContact CG-CG 4.35Å; E196-Y232 HydrophobicContact CG-CD2 4.1Å; E196-Y232 HydrophobicContact CG-CE2 4.47Å; E196-M239 HydrophobicContact CB-SD 4.25Å; E196-M239 HydrophobicContact CG-CE 4.23Å; E196-M239 HydrophobicContact CG-SD 3.8Å
197	Y	98.1	Very high	96.2	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.039	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-114.6	-0.4	-174.2	-51.9	-87.6	0	0	0	112.7	K158 P159 T194 P195 A199 W215 C216 A219 V220 E223 P229	K158-Y197 HydrophobicContact CB-CD1 4.45Å; K158-Y197 HydrophobicContact CB-CD2 3.81Å; K158-Y197 HydrophobicContact CB-CE1 4.31Å; K158-Y197 HydrophobicContact CB-CE2 3.63Å; K158-Y197 HydrophobicContact CB-CG 4.23Å; P159-Y197 VanDerWaalsContact CD-CZ 3.47Å; P159-Y197 WeakPolarHBondContact CD-OH 3.34Å; T194-Y197 HydrophobicContact CG2-CD2 3.89Å; T194-Y197 HydrophobicContact CG2-CE2 4.13Å; T194-Y197 PolarHBondContact O-N 3.48Å; P195-Y197 PolarHBondContact O-N 2.99Å; Y197-A199 PolarHBondContact O-N 2.91Å; Y197-W215 VanDerWaalsContact O-CD1 3.29Å; Y197-W215 PolarHBondContact O-NE1 3.41Å; Y197-C216 PolarHBondContact O-SG 2.85Å; Y197-C216 VanDerWaalsContact O-SG 3.35Å; Y197-A219 HydrophobicContact CD1-CB 3.82Å; Y197-A219 HydrophobicContact CE1-CB 4.49Å; Y197-V220 HydrophobicContact CD1-CG2 4.16Å; Y197-V220 HydrophobicContact CE1-CG2 4Å; Y197-E223 PolarHBondContact OH-OE2 3.24Å; Y197-P229 HydrophobicContact CE1-CG 4.49Å
198	L	98.1	Very high	96.4	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.242	C	C	.	.			trans	-61.4	131.1	179.2	-70.4	177.8	0	0	0	111.2	F191 C192 T194 I202 L203 W215 Y240	F191-L198 HydrophobicContact CE1-CD1 4.28Å; F191-L198 HydrophobicContact CZ-CD1 3.87Å; C192-L198 WeakPolarHBondContact O-CD2 3.43Å; T194-L198 PolarHBondContact O-N 3.03Å; L198-I202 HydrophobicContact CD2-CD1 4.46Å; L198-I202 HydrophobicContact CD2-CG2 4.04Å; L198-L203 HydrophobicContact CB-CD2 4.03Å; L198-L203 HydrophobicContact CB-CG 4.11Å; L198-L203 HydrophobicContact CD1-CD2 3.6Å; L198-L203 HydrophobicContact CG-CD2 4.47Å; L198-W215 PolarHBondContact O-NE1 3.4Å; L198-W215 VanDerWaalsContact O-NE1 3.17Å; L198-Y240 HydrophobicContact CD1-CE1 4.34Å
199	A	98.3	Very high	96.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	25%	0.247	C	C	.	.			trans	-71.1	150.8	173.3	0	0	0	0	0	111.4	Y197 E201 I202 L203 V212 W215	Y197-A199 PolarHBondContact O-N 2.91Å; A199-E201 VanDerWaalsContact C-N 3.32Å; A199-E201 HydrophobicContact CB-CG 4.37Å; A199-E201 PolarHBondContact O-N 3.25Å; A199-I202 HydrophobicContact CB-CD1 4.28Å; A199-I202 HydrophobicContact CB-CG1 4.42Å; A199-I202 WeakPolarHBondContact O-CB 3.44Å; A199-I202 PolarHBondContact O-N 2.77Å; A199-I202 VanDerWaalsContact O-N 3.07Å; A199-L203 PolarHBondContact O-N 3.32Å; A199-V212 HydrophobicContact CB-CB 4.19Å; A199-V212 HydrophobicContact CB-CG1 4.01Å; A199-W215 HydrophobicContact CB-CB 4Å; A199-W215 HydrophobicContact CB-CD2 4.31Å; A199-W215 HydrophobicContact CB-CG 3.77Å
200	P	98.5	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.8	-40.8	-177.6	-30.3	39.3	0	0	0	114.3	I202 L203 R204 W215 I243 L244 K268	P200-I202 VanDerWaalsContact C-N 3.31Å; P200-I202 PolarHBondContact O-N 2.81Å; P200-L203 PolarHBondContact O-N 2.87Å; P200-R204 WeakPolarHBondContact O-CG 3.5Å; P200-R204 PolarHBondContact O-N 3.19Å; P200-W215 HydrophobicContact CG-CE3 4.23Å; P200-W215 HydrophobicContact CG-CH2 3.59Å; P200-W215 HydrophobicContact CG-CZ2 4.02Å; P200-W215 HydrophobicContact CG-CZ3 3.7Å; P200-I243 HydrophobicContact CB-CG2 4.49Å; P200-I243 HydrophobicContact CG-CG2 3.87Å; P200-L244 HydrophobicContact CB-CD2 4.21Å; P200-K268 HydrophobicContact CB-CB 4.37Å; P200-K268 HydrophobicContact CG-CB 3.98Å; P200-K268 HydrophobicContact CG-CG 4.15Å
201	E	98.4	Very high	96.8	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.014	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-34	177.9	58.5	-86.4	-156.5	0	0	112.7	A199 R204 K205 E206 V212 R273	A199-E201 VanDerWaalsContact C-N 3.32Å; A199-E201 HydrophobicContact CB-CG 4.37Å; A199-E201 PolarHBondContact O-N 3.25Å; E201-R204 PolarHBondContact O-N 3.19Å; E201-K205 PolarHBondContact O-N 3.41Å; E201-E206 HydrophobicContact CB-CB 4.37Å; E201-E206 PolarHBondContact O-N 3.5Å; E201-V212 HydrophobicContact CG-CG1 4.15Å; E201-V212 WeakPolarHBondContact OE1-CG1 3.38Å; E201-R273 IonicContact OE1-CZ 3.19Å; E201-R273 IonicContact OE1-NH1 3.35Å; E201-R273 PolarHBondContact OE1-NH1 3.09Å; E201-R273 IonicContact OE1-NH2 3.15Å; E201-R273 PolarHBondContact OE1-NH2 2.94Å; E201-R273 VanDerWaalsContact OE1-NH2 3.15Å; E201-R273 IonicContact OE2-CZ 3.12Å; E201-R273 IonicContact OE2-NH1 3.8Å; E201-R273 IonicContact OE2-NH2 3.72Å; E201-R273 PolarHBondContact OE2-NH2 2.71Å
202	I	98	Very high	96.9	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-43.7	173.8	-60.3	173	0	0	0	109.9	F191 L198 A199 P200 R204 K205 Y208 V212	F191-I202 HydrophobicContact CD2-CG2 3.89Å; F191-I202 WeakPolarHBondContact CD2-O 3.46Å; F191-I202 HydrophobicContact CE2-CG2 4.12Å; F191-I202 WeakPolarHBondContact CE2-O 3.25Å; F191-I202 HydrophobicContact CG-CG2 4.43Å; L198-I202 HydrophobicContact CD2-CD1 4.46Å; L198-I202 HydrophobicContact CD2-CG2 4.04Å; A199-I202 HydrophobicContact CB-CD1 4.28Å; A199-I202 HydrophobicContact CB-CG1 4.42Å; A199-I202 WeakPolarHBondContact O-CB 3.44Å; A199-I202 PolarHBondContact O-N 2.77Å; A199-I202 VanDerWaalsContact O-N 3.07Å; P200-I202 VanDerWaalsContact C-N 3.31Å; P200-I202 PolarHBondContact O-N 2.81Å; I202-R204 VanDerWaalsContact C-N 3.3Å; I202-R204 PolarHBondContact O-N 2.93Å; I202-K205 WeakPolarHBondContact O-CA 3.21Å; I202-K205 PolarHBondContact O-N 2.89Å; I202-Y208 HydrophobicContact CD1-CE1 4.47Å; I202-Y208 HydrophobicContact CD1-CE2 4.42Å; I202-Y208 HydrophobicContact CG1-CD1 3.74Å; I202-Y208 HydrophobicContact CG1-CD2 4.38Å; I202-Y208 HydrophobicContact CG1-CE1 3.86Å; I202-Y208 HydrophobicContact CG1-CE2 4.48Å; I202-Y208 HydrophobicContact CG1-CG 4.02Å; I202-V212 HydrophobicContact CD1-CB 4.14Å; I202-V212 HydrophobicContact CD1-CG1 3.9Å; I202-V212 HydrophobicContact CG1-CG1 4.09Å
203	L	97.8	Very high	97.2	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-36	177.1	-68.9	-177.8	0	0	0	112.5	F191 L198 A199 P200 K205 Y240 I243 L244	F191-L203 HydrophobicContact CE2-CD2 4.31Å; F191-L203 HydrophobicContact CZ-CD2 4.23Å; L198-L203 HydrophobicContact CB-CD2 4.03Å; L198-L203 HydrophobicContact CB-CG 4.11Å; L198-L203 HydrophobicContact CD1-CD2 3.6Å; L198-L203 HydrophobicContact CG-CD2 4.47Å; A199-L203 PolarHBondContact O-N 3.32Å; P200-L203 PolarHBondContact O-N 2.87Å; L203-K205 PolarHBondContact O-N 2.7Å; L203-Y240 HydrophobicContact CD1-CD1 3.87Å; L203-Y240 HydrophobicContact CD1-CG 4.02Å; L203-Y240 HydrophobicContact CD2-CD1 3.83Å; L203-Y240 HydrophobicContact CD2-CD2 4.03Å; L203-Y240 HydrophobicContact CD2-CE1 3.75Å; L203-Y240 HydrophobicContact CD2-CE2 3.96Å; L203-Y240 HydrophobicContact CD2-CG 3.96Å; L203-I243 HydrophobicContact CD1-CB 3.79Å; L203-I243 HydrophobicContact CD1-CD1 4.04Å; L203-I243 HydrophobicContact CD1-CG2 3.51Å; L203-L244 HydrophobicContact CB-CD2 3.98Å; L203-L244 HydrophobicContact CB-CG 4.39Å; L203-L244 HydrophobicContact CD1-CG 4.25Å
204	R	97.5	Very high	97.4	Very high	96 Å²	96	33.1 Å²	33.1	36%	0.362	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.5	172.7	-67.9	178.5	-167.2	125.2	4.7	113.4	P200 E201 I202 E206 L244 K268	P200-R204 WeakPolarHBondContact O-CG 3.5Å; P200-R204 PolarHBondContact O-N 3.19Å; E201-R204 PolarHBondContact O-N 3.19Å; I202-R204 VanDerWaalsContact C-N 3.3Å; I202-R204 PolarHBondContact O-N 2.93Å; R204-E206 HydrophobicContact CB-CG 3.78Å; R204-E206 VanDerWaalsContact CD-OE1 3.29Å; R204-E206 WeakPolarHBondContact CD-OE1 3.32Å; R204-E206 WeakPolarHBondContact CD-OE2 3.48Å; R204-E206 PolarHBondContact O-N 3.24Å; R204-L244 HydrophobicContact CG-CD2 3.73Å; R204-K268 PolarHBondContact NH1-O 3.44Å
205	K	96.8	Very high	97.6	Very high	172 Å²	172	32 Å²	32	75%	0.748	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	32.2	-174.6	-52.8	175.3	-179.6	175.3	0	112.3	F191 E201 I202 L203	F191-K205 HydrophobicContact CD2-CG 4.42Å; E201-K205 PolarHBondContact O-N 3.41Å; I202-K205 WeakPolarHBondContact O-CA 3.21Å; I202-K205 PolarHBondContact O-N 2.89Å; L203-K205 PolarHBondContact O-N 2.7Å
206	E	97.3	Very high	97.7	Very high	84 Å²	84	30.1 Å²	30.1	39%	0.393	14%	0.142	S	C	.	.			trans	-81.6	151.6	174.3	-69.1	163.6	173.1	0	0	109.3	E201 R204 Y208	E201-E206 HydrophobicContact CB-CB 4.37Å; E201-E206 PolarHBondContact O-N 3.5Å; R204-E206 HydrophobicContact CB-CG 3.78Å; R204-E206 VanDerWaalsContact CD-OE1 3.29Å; R204-E206 WeakPolarHBondContact CD-OE1 3.32Å; R204-E206 WeakPolarHBondContact CD-OE2 3.48Å; R204-E206 PolarHBondContact O-N 3.24Å; E206-Y208 PolarHBondContact O-N 3.08Å
207	P	96.5	Very high	97.8	Very high	86 Å²	86	27.3 Å²	27.3	56%	0.558	13%	0.13	S	C	*	.			trans	-57.6	135.6	164.6	-20	32.5	0	0	0	109.9	T187 T188	T187-P207 HydrophobicContact CG2-CB 4.27Å; T188-P207 CarbonylContact O-C 3.56Å; T188-P207 WeakPolarHBondContact O-CA 3.48Å
208	Y	96.9	Very high	97.9	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.027	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-133.6	160.8	-176.4	63.8	-94.8	0	0	0	111.1	R155 T187 T188 T190 I202 E206 V212	R155-Y208 WeakPolarHBondContact CD-OH 3.14Å; R155-Y208 HydrophobicContact CG-CE2 4.45Å; R155-Y208 PolarHBondContact NH1-OH 3.45Å; T187-Y208 CarbonylContact C-O 3.55Å; T187-Y208 VanDerWaalsContact CA-O 3.27Å; T187-Y208 WeakPolarHBondContact CA-O 3.07Å; T187-Y208 WeakPolarHBondContact CB-O 3.02Å; T188-Y208 HydrophobicContact CG2-CD2 3.93Å; T188-Y208 HydrophobicContact CG2-CE1 4.1Å; T188-Y208 HydrophobicContact CG2-CE2 3.31Å; T188-Y208 VanDerWaalsContact CG2-CZ 3.41Å; T188-Y208 PolarHBondContact N-O 2.89Å; T188-Y208 WeakPolarHBondContact O-CD1 3.42Å; T188-Y208 PolarHBondContact O-N 3.06Å; T190-Y208 VanDerWaalsContact O-CE1 3.31Å; T190-Y208 WeakPolarHBondContact O-CE1 3.49Å; T190-Y208 PolarHBondContact O-OH 3.33Å; I202-Y208 HydrophobicContact CD1-CE1 4.47Å; I202-Y208 HydrophobicContact CD1-CE2 4.42Å; I202-Y208 HydrophobicContact CG1-CD1 3.74Å; I202-Y208 HydrophobicContact CG1-CD2 4.38Å; I202-Y208 HydrophobicContact CG1-CE1 3.86Å; I202-Y208 HydrophobicContact CG1-CE2 4.48Å; I202-Y208 HydrophobicContact CG1-CG 4.02Å; E206-Y208 PolarHBondContact O-N 3.08Å; Y208-V212 HydrophobicContact CD2-CB 4.39Å; Y208-V212 HydrophobicContact CD2-CG1 3.49Å; Y208-V212 VanDerWaalsContact CD2-CG1 3.49Å; Y208-V212 HydrophobicContact CD2-CG2 4.02Å; Y208-V212 HydrophobicContact CE2-CG1 4.3Å; Y208-V212 HydrophobicContact CE2-CG2 4.2Å; Y208-V212 HydrophobicContact CG-CG1 3.87Å
209	D	95.8	Very high	97.9	Very high	37 Å²	37	26.7 Å²	26.7	20%	0.198	13%	0.127	C	C	.	.			trans	-119.6	-159.8	-177.6	64.4	18.3	0	0	0	111.1	T211 V212	D209-T211 PolarHBondContact O-N 3.27Å; D209-T211 VanDerWaalsContact OD1-CB 3.25Å; D209-T211 WeakPolarHBondContact OD1-CB 3.29Å; D209-T211 VanDerWaalsContact OD1-CG2 3.28Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.47Å; D209-T211 PolarHBondContact OD1-N 2.78Å; D209-T211 PolarHBondContact OD1-OG1 3.31Å; D209-V212 WeakPolarHBondContact O-CG2 3.22Å
210	R	96.5	Very high	97.9	Very high	31 Å²	31	26.7 Å²	26.7	12%	0.117	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18	179.8	72.7	-174.9	74.9	-156.2	-8.2	114.5	H148 V153 V182 E183 V212 D213 D279	H148-R210 PolarHBondContact CE1-O 3Å; H148-R210 VanDerWaalsContact CE1-O 3.28Å; H148-R210 PolarHBondContact O-NH1 3.15Å; V153-R210 HydrophobicContact CG2-CB 3.93Å; V182-R210 PolarHBondContact O-NH2 3.35Å; E183-R210 VanDerWaalsContact C-NH2 3.33Å; R210-V212 PolarHBondContact O-N 3.43Å; R210-V212 VanDerWaalsContact O-N 3.12Å; R210-D213 PolarHBondContact O-N 2.91Å; R210-D213 VanDerWaalsContact O-N 3.12Å; R210-D279 WeakPolarHBondContact CD-OD1 3.33Å
211	T	97.7	Very high	97.9	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-66.7	-14.9	-176.8	62.6	0	0	0	0	113.7	D209 D213 W214 W215 R273 A276	D209-T211 PolarHBondContact O-N 3.27Å; D209-T211 VanDerWaalsContact OD1-CB 3.25Å; D209-T211 WeakPolarHBondContact OD1-CB 3.29Å; D209-T211 VanDerWaalsContact OD1-CG2 3.28Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.47Å; D209-T211 PolarHBondContact OD1-N 2.78Å; D209-T211 PolarHBondContact OD1-OG1 3.31Å; T211-D213 PolarHBondContact O-N 3.37Å; T211-W214 PolarHBondContact O-N 2.93Å; T211-W215 PolarHBondContact O-N 3.12Å; T211-R273 WeakPolarHBondContact O-CD 3.19Å; T211-R273 PolarHBondContact O-NH1 2.79Å; T211-A276 HydrophobicContact CG2-CB 4.15Å
212	V	98.4	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-32.3	172.4	-59.5	0	0	0	0	112	V153 R155 A199 E201 I202 Y208 D209 R210 W214 W215 C216	V153-V212 HydrophobicContact CG1-CG2 3.84Å; R155-V212 HydrophobicContact CG-CG2 4.31Å; A199-V212 HydrophobicContact CB-CB 4.19Å; A199-V212 HydrophobicContact CB-CG1 4.01Å; E201-V212 HydrophobicContact CG-CG1 4.15Å; E201-V212 WeakPolarHBondContact OE1-CG1 3.38Å; I202-V212 HydrophobicContact CD1-CB 4.14Å; I202-V212 HydrophobicContact CD1-CG1 3.9Å; I202-V212 HydrophobicContact CG1-CG1 4.09Å; Y208-V212 HydrophobicContact CD2-CB 4.39Å; Y208-V212 HydrophobicContact CD2-CG1 3.49Å; Y208-V212 VanDerWaalsContact CD2-CG1 3.49Å; Y208-V212 HydrophobicContact CD2-CG2 4.02Å; Y208-V212 HydrophobicContact CE2-CG1 4.3Å; Y208-V212 HydrophobicContact CE2-CG2 4.2Å; Y208-V212 HydrophobicContact CG-CG1 3.87Å; D209-V212 WeakPolarHBondContact O-CG2 3.22Å; R210-V212 PolarHBondContact O-N 3.43Å; R210-V212 VanDerWaalsContact O-N 3.12Å; V212-W214 VanDerWaalsContact C-N 3.32Å; V212-W214 PolarHBondContact O-N 2.95Å; V212-W215 WeakPolarHBondContact O-CB 3.47Å; V212-W215 PolarHBondContact O-N 2.71Å; V212-C216 PolarHBondContact O-N 3.22Å; V212-C216 VanDerWaalsContact O-N 3.07Å; V212-C216 PolarHBondContact O-SG 3.28Å
213	D	98.7	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.8	-31.2	178.7	-72.6	-22.3	0	0	0	111.8	V144 H148 V153 Y154 R155 R210 T211 C216 L217	V144-D213 HydrophobicContact CG1-CB 3.73Å; H148-D213 IonicContact CD2-OD2 3.4Å; H148-D213 IonicContact NE2-OD2 2.57Å; H148-D213 PolarHBondContact NE2-OD2 2.91Å; H148-D213 VanDerWaalsContact NE2-OD2 3.12Å; V153-D213 VanDerWaalsContact CG1-OD2 3.28Å; V153-D213 WeakPolarHBondContact CG1-OD2 3.5Å; Y154-D213 WeakPolarHBondContact CB-OD2 3.39Å; Y154-D213 PolarHBondContact N-OD2 3.39Å; R155-D213 WeakPolarHBondContact CA-OD1 3.42Å; R155-D213 PolarHBondContact N-OD1 2.98Å; R210-D213 PolarHBondContact O-N 2.91Å; R210-D213 VanDerWaalsContact O-N 3.12Å; T211-D213 PolarHBondContact O-N 3.37Å; D213-C216 PolarHBondContact O-N 2.81Å; D213-L217 PolarHBondContact O-N 3.12Å
214	W	98.8	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.6	-34.2	173.5	-58.2	132.2	0	0	0	112.4	A141 V144 H148 T211 V212 L217 G218 L265 D279 F280 I283	A141-W214 HydrophobicContact CB-CZ3 4.17Å; V144-W214 HydrophobicContact CB-CH2 4.04Å; V144-W214 HydrophobicContact CB-CZ3 4.02Å; V144-W214 HydrophobicContact CG1-CE3 4.18Å; V144-W214 HydrophobicContact CG1-CH2 3.65Å; V144-W214 HydrophobicContact CG1-CZ2 4.06Å; V144-W214 HydrophobicContact CG1-CZ3 3.71Å; H148-W214 AromaticContact CE1-CE2 3.73Å; H148-W214 AromaticContact CE1-CZ2 3.82Å; H148-W214 AromaticContact CE1-NE1 3.72Å; H148-W214 AromaticContact ND1-CE2 3.85Å; H148-W214 AromaticContact ND1-CZ2 3.62Å; H148-W214 AromaticContact ND1-NE1 3.82Å; T211-W214 PolarHBondContact O-N 2.93Å; V212-W214 VanDerWaalsContact C-N 3.32Å; V212-W214 PolarHBondContact O-N 2.95Å; W214-L217 HydrophobicContact CE3-CD2 3.8Å; W214-L217 HydrophobicContact CZ3-CD2 3.94Å; W214-L217 PolarHBondContact O-N 3.12Å; W214-G218 PolarHBondContact O-N 2.81Å; W214-L265 HydrophobicContact CB-CD2 4.05Å; W214-D279 WeakPolarHBondContact CZ2-OD1 3.5Å; W214-D279 PolarHBondContact NE1-OD1 2.99Å; W214-F280 HydrophobicContact CH2-CB 4.08Å; W214-F280 AromaticContact CH2-CD2 3.95Å; W214-F280 HydrophobicContact CH2-CD2 3.95Å; W214-F280 HydrophobicContact CH2-CG 4.48Å; W214-F280 HydrophobicContact CZ2-CB 4.03Å; W214-I283 HydrophobicContact CD2-CD1 4.1Å; W214-I283 HydrophobicContact CD2-CG1 3.94Å; W214-I283 HydrophobicContact CE3-CD1 4.15Å; W214-I283 HydrophobicContact CE3-CG1 3.75Å; W214-I283 HydrophobicContact CG-CD1 4.39Å; W214-I283 HydrophobicContact CH2-CG1 3.97Å; W214-I283 HydrophobicContact CZ2-CG1 4.13Å; W214-I283 HydrophobicContact CZ3-CG1 3.77Å
215	W	98.9	Very high	98	Very high	2 Å²	2	22 Å²	22	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-48.7	168.8	173.5	-85.3	0	0	0	111.1	Y197 L198 A199 P200 T211 V212 L217 G218 A219 F231 I243 L266 K268	Y197-W215 VanDerWaalsContact O-CD1 3.29Å; Y197-W215 PolarHBondContact O-NE1 3.41Å; L198-W215 PolarHBondContact O-NE1 3.4Å; L198-W215 VanDerWaalsContact O-NE1 3.17Å; A199-W215 HydrophobicContact CB-CB 4Å; A199-W215 HydrophobicContact CB-CD2 4.31Å; A199-W215 HydrophobicContact CB-CG 3.77Å; P200-W215 HydrophobicContact CG-CE3 4.23Å; P200-W215 HydrophobicContact CG-CH2 3.59Å; P200-W215 HydrophobicContact CG-CZ2 4.02Å; P200-W215 HydrophobicContact CG-CZ3 3.7Å; T211-W215 PolarHBondContact O-N 3.12Å; V212-W215 WeakPolarHBondContact O-CB 3.47Å; V212-W215 PolarHBondContact O-N 2.71Å; W215-L217 VanDerWaalsContact C-N 3.32Å; W215-L217 PolarHBondContact O-N 3.47Å; W215-G218 WeakPolarHBondContact O-CA 3.41Å; W215-G218 PolarHBondContact O-N 3.48Å; W215-A219 PolarHBondContact O-N 2.53Å; W215-F231 HydrophobicContact CH2-CE2 4.06Å; W215-F231 HydrophobicContact CZ2-CE2 4.18Å; W215-I243 HydrophobicContact CH2-CG2 4.42Å; W215-I243 HydrophobicContact CZ2-CG2 3.87Å; W215-L266 HydrophobicContact CD2-CD2 3.86Å; W215-L266 HydrophobicContact CE3-CB 4.42Å; W215-L266 HydrophobicContact CE3-CD2 4.01Å; W215-L266 HydrophobicContact CG-CD2 4.38Å; W215-L266 HydrophobicContact CH2-CD2 4.31Å; W215-L266 HydrophobicContact CZ2-CD2 4.15Å; W215-L266 VanDerWaalsContact CZ3-C 3.5Å; W215-L266 HydrophobicContact CZ3-CB 4.15Å; W215-L266 HydrophobicContact CZ3-CD2 4.25Å; W215-L266 WeakPolarHBondContact CZ3-O 3.31Å; W215-K268 HydrophobicContact CH2-CG 4.35Å; W215-K268 HydrophobicContact CZ3-CG 4.28Å
216	C	98.7	Very high	98	Very high	7 Å²	7	15.5 Å²	15.5	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-40.2	178.6	-61.7	0	0	0	0	112	L157 Y197 V212 D213 G218 A219 V220	L157-C216 HydrophobicContact CB-CB 3.69Å; L157-C216 HydrophobicContact CD2-CB 4.22Å; L157-C216 HydrophobicContact CG-CB 4.32Å; Y197-C216 PolarHBondContact O-SG 2.85Å; Y197-C216 VanDerWaalsContact O-SG 3.35Å; V212-C216 PolarHBondContact O-N 3.22Å; V212-C216 VanDerWaalsContact O-N 3.07Å; V212-C216 PolarHBondContact O-SG 3.28Å; D213-C216 PolarHBondContact O-N 2.81Å; C216-G218 VanDerWaalsContact C-N 3.29Å; C216-G218 PolarHBondContact O-N 2.84Å; C216-A219 PolarHBondContact O-N 2.8Å; C216-A219 VanDerWaalsContact O-N 3.16Å; C216-V220 WeakPolarHBondContact O-CG2 3.44Å; C216-V220 PolarHBondContact O-N 3.17Å
217	L	98.9	Very high	97.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-59.2	-42.5	173.2	177.6	65.5	0	0	0	111.2	A137 V140 A141 L157 D213 W214 W215 L221 L265 I283	A137-L217 HydrophobicContact CB-CD1 4.29Å; V140-L217 HydrophobicContact CB-CD1 4.07Å; V140-L217 HydrophobicContact CG1-CD1 3.76Å; A141-L217 HydrophobicContact CB-CD2 3.88Å; L157-L217 HydrophobicContact CD2-CB 4.01Å; L157-L217 HydrophobicContact CD2-CD1 4.48Å; D213-L217 PolarHBondContact O-N 3.12Å; W214-L217 HydrophobicContact CE3-CD2 3.8Å; W214-L217 HydrophobicContact CZ3-CD2 3.94Å; W214-L217 PolarHBondContact O-N 3.12Å; W215-L217 VanDerWaalsContact C-N 3.32Å; W215-L217 PolarHBondContact O-N 3.47Å; L217-L221 VanDerWaalsContact O-CB 3.25Å; L217-L221 WeakPolarHBondContact O-CB 3.28Å; L217-L221 PolarHBondContact O-N 2.75Å; L217-L265 HydrophobicContact CD2-CD1 4.38Å; L217-L265 HydrophobicContact CG-CD1 4.31Å; L217-I283 HydrophobicContact CD2-CG2 4.28Å
218	G	98.9	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.1	-43.3	174.1	0	0	0	0	0	112.7	W214 W215 C216 L221 Y222 L262	W214-G218 PolarHBondContact O-N 2.81Å; W215-G218 WeakPolarHBondContact O-CA 3.41Å; W215-G218 PolarHBondContact O-N 3.48Å; C216-G218 VanDerWaalsContact C-N 3.29Å; C216-G218 PolarHBondContact O-N 2.84Å; G218-L221 PolarHBondContact O-N 3.4Å; G218-Y222 VanDerWaalsContact O-CB 3.29Å; G218-Y222 WeakPolarHBondContact O-CB 3.28Å; G218-Y222 PolarHBondContact O-N 2.68Å; G218-L262 WeakPolarHBondContact O-CD2 3.41Å
219	A	98.8	Very high	97.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.5	-44	179.6	0	0	0	0	0	112	Y197 W215 C216 Y222 E223 L266	Y197-A219 HydrophobicContact CD1-CB 3.82Å; Y197-A219 HydrophobicContact CE1-CB 4.49Å; W215-A219 PolarHBondContact O-N 2.53Å; C216-A219 PolarHBondContact O-N 2.8Å; C216-A219 VanDerWaalsContact O-N 3.16Å; A219-Y222 WeakPolarHBondContact O-CB 3.25Å; A219-Y222 PolarHBondContact O-N 3.02Å; A219-E223 PolarHBondContact O-N 3.43Å; A219-L266 HydrophobicContact CB-CD2 4.34Å
220	V	98.7	Very high	97.8	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-43.7	174.3	171.4	0	0	0	0	111.3	L118 L157 I162 Y197 C216 Y222 E223 M224	L118-V220 HydrophobicContact CD2-CG1 4.39Å; L157-V220 HydrophobicContact CG-CG2 4.29Å; I162-V220 HydrophobicContact CD1-CG1 3.72Å; I162-V220 HydrophobicContact CD1-CG2 4.41Å; Y197-V220 HydrophobicContact CD1-CG2 4.16Å; Y197-V220 HydrophobicContact CE1-CG2 4Å; C216-V220 WeakPolarHBondContact O-CG2 3.44Å; C216-V220 PolarHBondContact O-N 3.17Å; V220-Y222 VanDerWaalsContact C-N 3.33Å; V220-Y222 PolarHBondContact O-N 2.87Å; V220-E223 PolarHBondContact O-N 3.35Å; V220-M224 HydrophobicContact CG1-CE 4.3Å; V220-M224 WeakPolarHBondContact O-CG 3.41Å; V220-M224 PolarHBondContact O-N 3.24Å
221	L	98.8	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-42.2	176.1	177.2	59.6	0	0	0	111.7	A133 A137 L217 G218 E223 M224 I225 L261 L262 F288	A133-L221 HydrophobicContact CB-CD1 3.9Å; A137-L221 HydrophobicContact CB-CD1 4.12Å; L217-L221 VanDerWaalsContact O-CB 3.25Å; L217-L221 WeakPolarHBondContact O-CB 3.28Å; L217-L221 PolarHBondContact O-N 2.75Å; G218-L221 PolarHBondContact O-N 3.4Å; L221-E223 VanDerWaalsContact C-N 3.34Å; L221-M224 HydrophobicContact CB-CE 4.34Å; L221-M224 HydrophobicContact CD1-CE 3.89Å; L221-M224 PolarHBondContact O-N 2.9Å; L221-I225 HydrophobicContact CD1-CD1 3.68Å; L221-I225 HydrophobicContact CD1-CG1 4.32Å; L221-I225 HydrophobicContact CG-CD1 3.98Å; L221-I225 WeakPolarHBondContact O-CD1 3.38Å; L221-I225 WeakPolarHBondContact O-CG1 3.41Å; L221-I225 PolarHBondContact O-N 2.8Å; L221-L261 HydrophobicContact CD2-CD2 3.49Å; L221-L261 VanDerWaalsContact CD2-CD2 3.49Å; L221-L261 HydrophobicContact CD2-CG 4.08Å; L221-L262 HydrophobicContact CB-CD2 4.16Å; L221-L262 HydrophobicContact CD2-CD2 4.03Å; L221-L262 HydrophobicContact CG-CD2 3.93Å; L221-F288 HydrophobicContact CD1-CE1 4.38Å; L221-F288 HydrophobicContact CD1-CZ 4.31Å; L221-F288 HydrophobicContact CD2-CE1 4.28Å
222	Y	98.7	Very high	97.9	Very high	14 Å²	14	17.1 Å²	17.1	6%	0.055	8%	0.084	C	C	.	.	H	α-helix	trans	-58.5	-49.1	175.5	-174.2	-79.7	0	0	0	110.5	G218 A219 V220 M224 I225 Y226 L228 P230 L248 P249 L250 L262 L266	G218-Y222 VanDerWaalsContact O-CB 3.29Å; G218-Y222 WeakPolarHBondContact O-CB 3.28Å; G218-Y222 PolarHBondContact O-N 2.68Å; A219-Y222 WeakPolarHBondContact O-CB 3.25Å; A219-Y222 PolarHBondContact O-N 3.02Å; V220-Y222 VanDerWaalsContact C-N 3.33Å; V220-Y222 PolarHBondContact O-N 2.87Å; Y222-M224 PolarHBondContact O-N 2.9Å; Y222-I225 PolarHBondContact O-N 3.31Å; Y222-Y226 HydrophobicContact CD1-CD2 4.02Å; Y222-Y226 HydrophobicContact CD1-CG 4.48Å; Y222-Y226 AromaticContact CD2-CD2 3.69Å; Y222-Y226 HydrophobicContact CD2-CD2 3.69Å; Y222-Y226 HydrophobicContact CD2-CE2 4.02Å; Y222-Y226 AromaticContact CE1-CD2 3.83Å; Y222-Y226 HydrophobicContact CE1-CD2 3.83Å; Y222-Y226 AromaticContact CE1-CG 3.98Å; Y222-Y226 HydrophobicContact CE1-CG 3.98Å; Y222-Y226 AromaticContact CE2-CD2 3.46Å; Y222-Y226 HydrophobicContact CE2-CD2 3.46Å; Y222-Y226 VanDerWaalsContact CE2-CD2 3.46Å; Y222-Y226 AromaticContact CE2-CE2 3.74Å; Y222-Y226 HydrophobicContact CE2-CE2 3.74Å; Y222-Y226 HydrophobicContact CE2-CG 4.23Å; Y222-Y226 AromaticContact CG-CD2 3.94Å; Y222-Y226 HydrophobicContact CG-CD2 3.94Å; Y222-Y226 AromaticContact CZ-CD2 3.54Å; Y222-Y226 AromaticContact CZ-CG 3.84Å; Y222-Y226 WeakPolarHBondContact O-CB 3.41Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.38Å; Y222-Y226 PolarHBondContact O-N 3.45Å; Y222-L228 WeakPolarHBondContact CD1-O 3.2Å; Y222-L228 VanDerWaalsContact CE1-O 3.26Å; Y222-L228 WeakPolarHBondContact CE1-O 3.33Å; Y222-P230 HydrophobicContact CD1-CB 3.85Å; Y222-P230 HydrophobicContact CD1-CG 4.42Å; Y222-P230 HydrophobicContact CD2-CB 4.01Å; Y222-P230 VanDerWaalsContact CE1-CA 3.44Å; Y222-P230 HydrophobicContact CE1-CB 4.03Å; Y222-P230 HydrophobicContact CE2-CB 4.17Å; Y222-P230 HydrophobicContact CG-CB 3.87Å; Y222-P230 HydrophobicContact CG-CG 4.36Å; Y222-L248 HydrophobicContact CD2-CD1 4.09Å; Y222-L248 HydrophobicContact CE2-CD1 4.06Å; Y222-P249 WeakPolarHBondContact CE2-O 3.45Å; Y222-P249 PolarHBondContact OH-O 3.47Å; Y222-P249 VanDerWaalsContact OH-O 3.1Å; Y222-L250 HydrophobicContact CE2-CD2 4.39Å; Y222-L262 HydrophobicContact CD2-CD1 4.05Å; Y222-L262 HydrophobicContact CD2-CD2 4.39Å; Y222-L266 HydrophobicContact CD2-CD1 4.42Å
223	E	98.1	Very high	97.8	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.056	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-41.5	-179.8	-166.6	-173.4	-178.7	0	0	112.3	L122 P159 Y197 A219 V220 L221 I225 Y226 S227 P229	L122-E223 HydrophobicContact CD2-CB 4.38Å; L122-E223 HydrophobicContact CD2-CG 3.72Å; P159-E223 WeakPolarHBondContact CG-OE2 3.4Å; Y197-E223 PolarHBondContact OH-OE2 3.24Å; A219-E223 PolarHBondContact O-N 3.43Å; V220-E223 PolarHBondContact O-N 3.35Å; L221-E223 VanDerWaalsContact C-N 3.34Å; E223-I225 PolarHBondContact O-N 2.83Å; E223-I225 VanDerWaalsContact O-N 3.14Å; E223-Y226 PolarHBondContact O-N 3.22Å; E223-S227 WeakPolarHBondContact O-CA 3.48Å; E223-S227 PolarHBondContact O-N 3.27Å; E223-P229 HydrophobicContact CG-CG 4.38Å
224	M	98.5	Very high	97.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-55	-34.2	173.1	-75.5	-167.6	-69.4	0	0	112.1	L118 F128 A133 Y136 A137 V220 L221 Y222	L118-M224 HydrophobicContact CD2-CG 4.3Å; L118-M224 HydrophobicContact CD2-SD 3.94Å; F128-M224 HydrophobicContact CD2-CB 3.96Å; F128-M224 HydrophobicContact CD2-CG 3.78Å; F128-M224 HydrophobicContact CD2-SD 3.9Å; F128-M224 HydrophobicContact CE2-CG 4.07Å; F128-M224 HydrophobicContact CE2-SD 4.22Å; F128-M224 PolarHBondContact N-O 2.89Å; A133-M224 HydrophobicContact CB-CB 4.04Å; A133-M224 HydrophobicContact CB-CE 4.19Å; A133-M224 HydrophobicContact CB-SD 4.33Å; Y136-M224 HydrophobicContact CD2-SD 4.02Å; A137-M224 HydrophobicContact CB-CE 4.23Å; V220-M224 HydrophobicContact CG1-CE 4.3Å; V220-M224 WeakPolarHBondContact O-CG 3.41Å; V220-M224 PolarHBondContact O-N 3.24Å; L221-M224 HydrophobicContact CB-CE 4.34Å; L221-M224 HydrophobicContact CD1-CE 3.89Å; L221-M224 PolarHBondContact O-N 2.9Å; Y222-M224 PolarHBondContact O-N 2.9Å
225	I	97.7	Very high	97.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-92	-35.1	-174.2	-67.3	169.2	0	0	0	112.5	A133 L221 Y222 E223 K254 V258	A133-I225 HydrophobicContact CB-CD1 4.48Å; A133-I225 HydrophobicContact CB-CG1 4Å; L221-I225 HydrophobicContact CD1-CD1 3.68Å; L221-I225 HydrophobicContact CD1-CG1 4.32Å; L221-I225 HydrophobicContact CG-CD1 3.98Å; L221-I225 WeakPolarHBondContact O-CD1 3.38Å; L221-I225 WeakPolarHBondContact O-CG1 3.41Å; L221-I225 PolarHBondContact O-N 2.8Å; Y222-I225 PolarHBondContact O-N 3.31Å; E223-I225 PolarHBondContact O-N 2.83Å; E223-I225 VanDerWaalsContact O-N 3.14Å; I225-K254 HydrophobicContact CG2-CD 3.63Å; I225-K254 VanDerWaalsContact CG2-CE 3.43Å; I225-K254 HydrophobicContact CG2-CG 3.81Å; I225-V258 HydrophobicContact CD1-CG1 4.5Å; I225-V258 HydrophobicContact CD1-CG2 3.31Å
226	Y	96.6	Very high	97.5	Very high	36 Å²	36	36.8 Å²	36.8	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-116.6	3	-170.2	-66	-72	0	0	0	114	Y222 E223 L228 L250 P251 K254 L262	Y222-Y226 HydrophobicContact CD1-CD2 4.02Å; Y222-Y226 HydrophobicContact CD1-CG 4.48Å; Y222-Y226 AromaticContact CD2-CD2 3.69Å; Y222-Y226 HydrophobicContact CD2-CD2 3.69Å; Y222-Y226 HydrophobicContact CD2-CE2 4.02Å; Y222-Y226 AromaticContact CE1-CD2 3.83Å; Y222-Y226 HydrophobicContact CE1-CD2 3.83Å; Y222-Y226 AromaticContact CE1-CG 3.98Å; Y222-Y226 HydrophobicContact CE1-CG 3.98Å; Y222-Y226 AromaticContact CE2-CD2 3.46Å; Y222-Y226 HydrophobicContact CE2-CD2 3.46Å; Y222-Y226 VanDerWaalsContact CE2-CD2 3.46Å; Y222-Y226 AromaticContact CE2-CE2 3.74Å; Y222-Y226 HydrophobicContact CE2-CE2 3.74Å; Y222-Y226 HydrophobicContact CE2-CG 4.23Å; Y222-Y226 AromaticContact CG-CD2 3.94Å; Y222-Y226 HydrophobicContact CG-CD2 3.94Å; Y222-Y226 AromaticContact CZ-CD2 3.54Å; Y222-Y226 AromaticContact CZ-CG 3.84Å; Y222-Y226 WeakPolarHBondContact O-CB 3.41Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.38Å; Y222-Y226 PolarHBondContact O-N 3.45Å; E223-Y226 PolarHBondContact O-N 3.22Å; Y226-L228 PolarHBondContact O-N 3.07Å; Y226-L250 HydrophobicContact CE2-CD2 4.38Å; Y226-P251 HydrophobicContact CD1-CB 4.42Å; Y226-P251 HydrophobicContact CD1-CG 4.02Å; Y226-P251 HydrophobicContact CE1-CB 3.96Å; Y226-P251 HydrophobicContact CE1-CG 3.88Å; Y226-P251 PolarHBondContact OH-O 2.83Å; Y226-K254 HydrophobicContact CE1-CG 3.82Å; Y226-K254 WeakPolarHBondContact OH-CG 3.21Å; Y226-L262 HydrophobicContact CE2-CD1 3.93Å
227	S	94.7	Very high	97.4	Very high	48 Å²	48	38.6 Å²	38.6	34%	0.336	20%	0.197	S	C	.	.	S	Bend	trans	74.1	-11.8	175.7	-26.3	0	0	0	0	116.5	R126 E223	R126-S227 VanDerWaalsContact O-CA 3.28Å; R126-S227 WeakPolarHBondContact O-CA 3.37Å; R126-S227 WeakPolarHBondContact O-CB 3.22Å; R126-S227 PolarHBondContact O-OG 3.05Å; R126-S227 VanDerWaalsContact O-OG 3.09Å; E223-S227 WeakPolarHBondContact O-CA 3.48Å; E223-S227 PolarHBondContact O-N 3.27Å
228	L	95.1	Very high	97.4	Very high	90 Å²	90	43.8 Å²	43.8	47%	0.471	22%	0.221	S	C	.	.	S	Bend	trans	-141.1	151.7	179	-72.3	174.9	0	0	0	110.1	Y222 Y226 Y232	Y222-L228 WeakPolarHBondContact CD1-O 3.2Å; Y222-L228 VanDerWaalsContact CE1-O 3.26Å; Y222-L228 WeakPolarHBondContact CE1-O 3.33Å; Y226-L228 PolarHBondContact O-N 3.07Å; L228-Y232 HydrophobicContact CD1-CD1 4.16Å; L228-Y232 HydrophobicContact CD2-CD1 4.13Å; L228-Y232 HydrophobicContact CD2-CE1 4.38Å; L228-Y232 HydrophobicContact CD2-CG 4.37Å
229	P	96.4	Very high	97.4	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.058	22%	0.222	C	C	.	.			trans	-55.1	151.8	170.3	-25	34.4	0	0	0	111.8	E196 Y197 E223 F231 Y232	E196-P229 HydrophobicContact CB-CB 4.19Å; E196-P229 HydrophobicContact CB-CG 3.98Å; E196-P229 HydrophobicContact CG-CG 4.35Å; Y197-P229 HydrophobicContact CE1-CG 4.49Å; E223-P229 HydrophobicContact CG-CG 4.38Å; P229-F231 VanDerWaalsContact C-N 3.26Å; P229-F231 PolarHBondContact O-N 3.43Å; P229-F231 VanDerWaalsContact O-N 3.1Å; P229-Y232 WeakPolarHBondContact O-CB 3.24Å; P229-Y232 PolarHBondContact O-N 3.45Å
230	P	97.1	Very high	97.4	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.071	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.7	-166.7	21.9	-33.5	0	0	0	115	Y222 L248 P249 L266	Y222-P230 HydrophobicContact CD1-CB 3.85Å; Y222-P230 HydrophobicContact CD1-CG 4.42Å; Y222-P230 HydrophobicContact CD2-CB 4.01Å; Y222-P230 VanDerWaalsContact CE1-CA 3.44Å; Y222-P230 HydrophobicContact CE1-CB 4.03Å; Y222-P230 HydrophobicContact CE2-CB 4.17Å; Y222-P230 HydrophobicContact CG-CB 3.87Å; Y222-P230 HydrophobicContact CG-CG 4.36Å; P230-L248 HydrophobicContact CB-CD1 3.67Å; P230-P249 VanDerWaalsContact O-CG 3.23Å; P230-P249 WeakPolarHBondContact O-CG 3.32Å; P230-L266 HydrophobicContact CB-CD1 4.29Å; P230-L266 HydrophobicContact CG-CD1 4.08Å
231	F	98	Very high	97.3	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.088	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	21.4	-177	-55.5	-70	0	0	0	112.5	W215 P229 S233 M239 G242 I243 K246 L248	W215-F231 HydrophobicContact CH2-CE2 4.06Å; W215-F231 HydrophobicContact CZ2-CE2 4.18Å; P229-F231 VanDerWaalsContact C-N 3.26Å; P229-F231 PolarHBondContact O-N 3.43Å; P229-F231 VanDerWaalsContact O-N 3.1Å; F231-S233 PolarHBondContact O-N 2.94Å; F231-M239 WeakPolarHBondContact O-CG 3.5Å; F231-G242 WeakPolarHBondContact CD1-O 3.42Å; F231-G242 WeakPolarHBondContact CE1-O 3.45Å; F231-I243 HydrophobicContact CB-CG1 3.9Å; F231-I243 HydrophobicContact CD2-CB 4.37Å; F231-I243 HydrophobicContact CD2-CG1 3.78Å; F231-I243 HydrophobicContact CG-CG1 4.15Å; F231-K246 HydrophobicContact CD1-CB 4.34Å; F231-K246 HydrophobicContact CE1-CB 4.15Å; F231-L248 HydrophobicContact CZ-CD1 4.27Å
232	Y	97	Very high	97.3	Very high	103 Å²	103	50.3 Å²	50.3	40%	0.404	25%	0.252	S	S	.	.			trans	-54.3	128.9	-175.9	-179.3	-98.2	0	0	0	112.1	E196 L228 P229	E196-Y232 HydrophobicContact CG-CD2 4.1Å; E196-Y232 HydrophobicContact CG-CE2 4.47Å; L228-Y232 HydrophobicContact CD1-CD1 4.16Å; L228-Y232 HydrophobicContact CD2-CD1 4.13Å; L228-Y232 HydrophobicContact CD2-CE1 4.38Å; L228-Y232 HydrophobicContact CD2-CG 4.37Å; P229-Y232 WeakPolarHBondContact O-CB 3.24Å; P229-Y232 PolarHBondContact O-N 3.45Å
233	S	97.1	Very high	97.3	Very high	26 Å²	26	49.8 Å²	49.8	18%	0.182	25%	0.25	C	S	.	.			trans	-141.5	154.1	166.1	-177.8	0	0	0	0	108.8	F231 D235 E238	F231-S233 PolarHBondContact O-N 2.94Å; S233-D235 WeakPolarHBondContact CB-O 3.29Å; S233-D235 PolarHBondContact OG-N 2.92Å; S233-D235 VanDerWaalsContact OG-N 3.16Å; S233-E238 PolarHBondContact OG-OE2 3.19Å
234	R	95.6	Very high	97.3	Very high	231 Å²	231	50.8 Å²	50.8	87%	0.872	26%	0.256	S	S	*	.	S	Bend	trans	-70.6	-23.5	169.7	-65.5	-178.4	-178.8	175.5	0.6	111.6
235	D	97.7	Very high	97.3	Very high	87 Å²	87	56.8 Å²	56.8	47%	0.465	28%	0.284	S	S	.	.	S	Bend	trans	-89.8	115	170.8	-172	-57.9	0	0	0	109.2	S233 G237 E238 M239	S233-D235 WeakPolarHBondContact CB-O 3.29Å; S233-D235 PolarHBondContact OG-N 2.92Å; S233-D235 VanDerWaalsContact OG-N 3.16Å; D235-G237 PolarHBondContact O-N 2.92Å; D235-G237 VanDerWaalsContact OD1-CA 3.25Å; D235-G237 WeakPolarHBondContact OD1-CA 2.9Å; D235-G237 PolarHBondContact OD1-N 3.26Å; D235-E238 HydrophobicContact CB-CB 4.06Å; D235-E238 HydrophobicContact CB-CG 3.86Å; D235-E238 PolarHBondContact O-N 3.26Å; D235-E238 PolarHBondContact OD1-N 2.96Å; D235-M239 PolarHBondContact O-N 2.63Å
236	V	96.4	Very high	97.3	Very high	71 Å²	71	61.6 Å²	61.6	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-62.4	-32.9	-178.5	177.8	0	0	0	0	111.6	M239 Y240	V236-M239 HydrophobicContact CG1-CE 4.43Å; V236-M239 PolarHBondContact O-N 2.91Å; V236-Y240 HydrophobicContact CG1-CD1 4.19Å; V236-Y240 HydrophobicContact CG1-CD2 4.07Å; V236-Y240 HydrophobicContact CG1-CE1 3.76Å; V236-Y240 HydrophobicContact CG1-CE2 3.61Å; V236-Y240 HydrophobicContact CG1-CG 4.35Å; V236-Y240 VanDerWaalsContact CG1-CZ 3.43Å; V236-Y240 WeakPolarHBondContact O-CB 3.34Å; V236-Y240 WeakPolarHBondContact O-CD1 3.35Å; V236-Y240 VanDerWaalsContact O-CG 3.23Å; V236-Y240 PolarHBondContact O-N 2.95Å
237	G	97.7	Very high	97.3	Very high	45 Å²	45	65.9 Å²	65.9	46%	0.464	34%	0.335	S	S	.	.	H	α-helix	trans	-66.9	-44.8	176.2	0	0	0	0	0	112.1	D235 M239 Y240 D241	D235-G237 PolarHBondContact O-N 2.92Å; D235-G237 VanDerWaalsContact OD1-CA 3.25Å; D235-G237 WeakPolarHBondContact OD1-CA 2.9Å; D235-G237 PolarHBondContact OD1-N 3.26Å; G237-M239 VanDerWaalsContact C-N 3.32Å; G237-M239 PolarHBondContact O-N 3.41Å; G237-Y240 PolarHBondContact O-N 2.85Å; G237-D241 WeakPolarHBondContact O-CB 3.01Å; G237-D241 PolarHBondContact O-N 3.14Å
238	E	98	Very high	97.5	Very high	110 Å²	110	65.3 Å²	65.3	51%	0.514	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-36.7	174.5	-67.9	-174.3	163.1	0	0	112.8	S233 D235 G242	S233-E238 PolarHBondContact OG-OE2 3.19Å; D235-E238 HydrophobicContact CB-CB 4.06Å; D235-E238 HydrophobicContact CB-CG 3.86Å; D235-E238 PolarHBondContact O-N 3.26Å; D235-E238 PolarHBondContact OD1-N 2.96Å; E238-G242 PolarHBondContact O-N 3.35Å
239	M	98.3	Very high	97.6	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-47.6	175.3	177.1	167.3	71.3	0	0	110.8	P195 E196 F231 D235 V236 G237 D241 G242 I243	P195-M239 HydrophobicContact CB-CE 3.59Å; E196-M239 HydrophobicContact CB-SD 4.25Å; E196-M239 HydrophobicContact CG-CE 4.23Å; E196-M239 HydrophobicContact CG-SD 3.8Å; F231-M239 WeakPolarHBondContact O-CG 3.5Å; D235-M239 PolarHBondContact O-N 2.63Å; V236-M239 HydrophobicContact CG1-CE 4.43Å; V236-M239 PolarHBondContact O-N 2.91Å; G237-M239 VanDerWaalsContact C-N 3.32Å; G237-M239 PolarHBondContact O-N 3.41Å; M239-D241 PolarHBondContact O-N 2.94Å; M239-G242 WeakPolarHBondContact O-CA 3.49Å; M239-G242 PolarHBondContact O-N 3.34Å; M239-G242 VanDerWaalsContact O-N 3.12Å; M239-I243 HydrophobicContact CG-CD1 4.06Å; M239-I243 WeakPolarHBondContact O-CG1 3.25Å; M239-I243 PolarHBondContact O-N 3.01Å
240	Y	98.4	Very high	97.6	Very high	60 Å²	60	66.2 Å²	66.2	24%	0.235	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-40.9	176.9	-70.7	-4	0	0	0	112.1	P195 L198 L203 V236 G237 G242 I243 L244	P195-Y240 HydrophobicContact CB-CE1 4.06Å; L198-Y240 HydrophobicContact CD1-CE1 4.34Å; L203-Y240 HydrophobicContact CD1-CD1 3.87Å; L203-Y240 HydrophobicContact CD1-CG 4.02Å; L203-Y240 HydrophobicContact CD2-CD1 3.83Å; L203-Y240 HydrophobicContact CD2-CD2 4.03Å; L203-Y240 HydrophobicContact CD2-CE1 3.75Å; L203-Y240 HydrophobicContact CD2-CE2 3.96Å; L203-Y240 HydrophobicContact CD2-CG 3.96Å; V236-Y240 HydrophobicContact CG1-CD1 4.19Å; V236-Y240 HydrophobicContact CG1-CD2 4.07Å; V236-Y240 HydrophobicContact CG1-CE1 3.76Å; V236-Y240 HydrophobicContact CG1-CE2 3.61Å; V236-Y240 HydrophobicContact CG1-CG 4.35Å; V236-Y240 VanDerWaalsContact CG1-CZ 3.43Å; V236-Y240 WeakPolarHBondContact O-CB 3.34Å; V236-Y240 WeakPolarHBondContact O-CD1 3.35Å; V236-Y240 VanDerWaalsContact O-CG 3.23Å; V236-Y240 PolarHBondContact O-N 2.95Å; G237-Y240 PolarHBondContact O-N 2.85Å; Y240-G242 VanDerWaalsContact C-N 3.29Å; Y240-G242 PolarHBondContact O-N 3.07Å; Y240-I243 HydrophobicContact CD1-CD1 4.29Å; Y240-I243 PolarHBondContact O-N 3.35Å; Y240-L244 WeakPolarHBondContact O-CB 3.4Å; Y240-L244 VanDerWaalsContact O-CG 3.25Å; Y240-L244 WeakPolarHBondContact O-CG 3.25Å; Y240-L244 PolarHBondContact O-N 3.35Å
241	D	98.3	Very high	97.6	Very high	75 Å²	75	68.5 Å²	68.5	40%	0.401	35%	0.35	S	S	.	.	H	α-helix	trans	-58.5	-42.3	171.5	178.1	75.1	0	0	0	111.5	G237 M239 L244 H245 K246	G237-D241 WeakPolarHBondContact O-CB 3.01Å; G237-D241 PolarHBondContact O-N 3.14Å; M239-D241 PolarHBondContact O-N 2.94Å; D241-L244 PolarHBondContact O-N 3.19Å; D241-H245 WeakPolarHBondContact O-CB 3.45Å; D241-H245 PolarHBondContact O-N 3.24Å; D241-H245 IonicContact OD1-CD2 2.7Å; D241-H245 PolarHBondContact OD1-CD2 3.45Å; D241-K246 WeakPolarHBondContact OD2-CE 3.41Å
242	G	98.4	Very high	97.3	Very high	2 Å²	2	73.9 Å²	73.9	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-58.6	-50.7	173.2	0	0	0	0	0	113.2	F231 E238 M239 Y240 L244 H245 K246 K268	F231-G242 WeakPolarHBondContact CD1-O 3.42Å; F231-G242 WeakPolarHBondContact CE1-O 3.45Å; E238-G242 PolarHBondContact O-N 3.35Å; M239-G242 WeakPolarHBondContact O-CA 3.49Å; M239-G242 PolarHBondContact O-N 3.34Å; M239-G242 VanDerWaalsContact O-N 3.12Å; Y240-G242 VanDerWaalsContact C-N 3.29Å; Y240-G242 PolarHBondContact O-N 3.07Å; G242-L244 VanDerWaalsContact C-N 3.27Å; G242-L244 PolarHBondContact O-N 2.87Å; G242-H245 PolarHBondContact O-N 2.97Å; G242-K246 PolarHBondContact O-N 3.45Å; G242-K246 VanDerWaalsContact O-N 3.09Å; G242-K268 PolarHBondContact O-NZ 3.33Å
243	I	98.6	Very high	97.2	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.01	41%	0.405	C	S	.	.	H	α-helix	trans	-59.3	-39.1	177.5	-67.6	167.6	0	0	0	111	P200 L203 W215 F231 M239 Y240 K268	P200-I243 HydrophobicContact CB-CG2 4.49Å; P200-I243 HydrophobicContact CG-CG2 3.87Å; L203-I243 HydrophobicContact CD1-CB 3.79Å; L203-I243 HydrophobicContact CD1-CD1 4.04Å; L203-I243 HydrophobicContact CD1-CG2 3.51Å; W215-I243 HydrophobicContact CH2-CG2 4.42Å; W215-I243 HydrophobicContact CZ2-CG2 3.87Å; F231-I243 HydrophobicContact CB-CG1 3.9Å; F231-I243 HydrophobicContact CD2-CB 4.37Å; F231-I243 HydrophobicContact CD2-CG1 3.78Å; F231-I243 HydrophobicContact CG-CG1 4.15Å; M239-I243 HydrophobicContact CG-CD1 4.06Å; M239-I243 WeakPolarHBondContact O-CG1 3.25Å; M239-I243 PolarHBondContact O-N 3.01Å; Y240-I243 HydrophobicContact CD1-CD1 4.29Å; Y240-I243 PolarHBondContact O-N 3.35Å; I243-K268 WeakPolarHBondContact O-CD 3.36Å; I243-K268 WeakPolarHBondContact O-CE 3.29Å; I243-K268 PolarHBondContact O-NZ 2.75Å
244	L	98.4	Very high	97.2	Very high	34 Å²	34	74.5 Å²	74.5	18%	0.178	41%	0.41	C	S	.	.	H	α-helix	trans	-81.8	-34.2	-176.2	-70.1	170.7	0	0	0	114	P200 L203 R204 Y240 D241 G242 K268	P200-L244 HydrophobicContact CB-CD2 4.21Å; L203-L244 HydrophobicContact CB-CD2 3.98Å; L203-L244 HydrophobicContact CB-CG 4.39Å; L203-L244 HydrophobicContact CD1-CG 4.25Å; R204-L244 HydrophobicContact CG-CD2 3.73Å; Y240-L244 WeakPolarHBondContact O-CB 3.4Å; Y240-L244 VanDerWaalsContact O-CG 3.25Å; Y240-L244 WeakPolarHBondContact O-CG 3.25Å; Y240-L244 PolarHBondContact O-N 3.35Å; D241-L244 PolarHBondContact O-N 3.19Å; G242-L244 VanDerWaalsContact C-N 3.27Å; G242-L244 PolarHBondContact O-N 2.87Å; L244-K268 VanDerWaalsContact O-CD 3.27Å; L244-K268 WeakPolarHBondContact O-CD 3.49Å
245	H	97.8	Very high	97.3	Very high	128 Å²	128	65.5 Å²	65.5	59%	0.593	38%	0.382	S	S	*	.	H	α-helix	trans	-132.8	-32.4	-161.9	-57.7	-56.1	0	0	0	115.3	D241 G242	D241-H245 WeakPolarHBondContact O-CB 3.45Å; D241-H245 PolarHBondContact O-N 3.24Å; D241-H245 IonicContact OD1-CD2 2.7Å; D241-H245 PolarHBondContact OD1-CD2 3.45Å; G242-H245 PolarHBondContact O-N 2.97Å
246	K	97.9	Very high	97.3	Very high	103 Å²	103	69.7 Å²	69.7	45%	0.448	40%	0.399	S	S	.	.	S	Bend	trans	-74	145.6	-176.4	-66.5	179.1	-170.9	164.7	0	111.9	F231 D241 G242 K268	F231-K246 HydrophobicContact CD1-CB 4.34Å; F231-K246 HydrophobicContact CE1-CB 4.15Å; D241-K246 WeakPolarHBondContact OD2-CE 3.41Å; G242-K246 PolarHBondContact O-N 3.45Å; G242-K246 VanDerWaalsContact O-N 3.09Å; K246-K268 WeakPolarHBondContact O-CE 3.36Å; K246-K268 PolarHBondContact O-NZ 2.57Å
247	T	97.4	Very high	97.4	Very high	126 Å²	126	69.2 Å²	69.2	77%	0.773	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-63.6	147.6	169.6	51	0	0	0	0	110.1	P249	T247-P249 VanDerWaalsContact O-CD 3.23Å; T247-P249 WeakPolarHBondContact O-CD 3.35Å
248	L	98.1	Very high	97.4	Very high	35 Å²	35	67 Å²	67	18%	0.183	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-62.5	118.2	177.4	178.8	66.2	0	0	0	109.6	Y222 P230 F231 L250 L262 V263 L266	Y222-L248 HydrophobicContact CD2-CD1 4.09Å; Y222-L248 HydrophobicContact CE2-CD1 4.06Å; P230-L248 HydrophobicContact CB-CD1 3.67Å; F231-L248 HydrophobicContact CZ-CD1 4.27Å; L248-L250 HydrophobicContact CD2-CD1 4.36Å; L248-L250 HydrophobicContact CD2-CD2 4.04Å; L248-L250 HydrophobicContact CD2-CG 4.21Å; L248-L250 HydrophobicContact CG-CD2 4.26Å; L248-L250 HydrophobicContact CG-CG 4.2Å; L248-L250 PolarHBondContact O-N 3.19Å; L248-L262 HydrophobicContact CD2-CB 4.1Å; L248-V263 HydrophobicContact CD2-CG2 4.2Å; L248-L266 HydrophobicContact CD1-CB 4.4Å; L248-L266 HydrophobicContact CD1-CD1 3.5Å; L248-L266 HydrophobicContact CD2-CB 4.3Å; L248-L266 HydrophobicContact CD2-CD1 4.07Å; L248-L266 HydrophobicContact CG-CD1 4.46Å
249	P	97.4	Very high	97.4	Very high	55 Å²	55	63 Å²	63	36%	0.357	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-67.8	128.8	173.4	25.6	-32.8	0	0	0	110	Y222 P230 T247	Y222-P249 WeakPolarHBondContact CE2-O 3.45Å; Y222-P249 PolarHBondContact OH-O 3.47Å; Y222-P249 VanDerWaalsContact OH-O 3.1Å; P230-P249 VanDerWaalsContact O-CG 3.23Å; P230-P249 WeakPolarHBondContact O-CG 3.32Å; T247-P249 VanDerWaalsContact O-CD 3.23Å; T247-P249 WeakPolarHBondContact O-CD 3.35Å
250	L	97.2	Very high	97.4	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.335	38%	0.379	S	S	.	.			trans	-129.6	86.4	174.6	-69.7	172.2	0	0	0	109.2	Y222 Y226 L248 C259 L262 V263	Y222-L250 HydrophobicContact CE2-CD2 4.39Å; Y226-L250 HydrophobicContact CE2-CD2 4.38Å; L248-L250 HydrophobicContact CD2-CD1 4.36Å; L248-L250 HydrophobicContact CD2-CD2 4.04Å; L248-L250 HydrophobicContact CD2-CG 4.21Å; L248-L250 HydrophobicContact CG-CD2 4.26Å; L248-L250 HydrophobicContact CG-CG 4.2Å; L248-L250 PolarHBondContact O-N 3.19Å; L250-C259 HydrophobicContact CD1-CB 4.13Å; L250-L262 HydrophobicContact CD2-CB 4.47Å; L250-L262 HydrophobicContact CD2-CD1 4.07Å; L250-V263 HydrophobicContact CD1-CG2 3.8Å
251	P	95.1	Very high	97.5	Very high	59 Å²	59	63.2 Å²	63.2	38%	0.383	37%	0.368	S	S	.	.			trans	-55.7	143	174.4	-23.8	32.5	0	0	0	111.4	Y226	Y226-P251 HydrophobicContact CD1-CB 4.42Å; Y226-P251 HydrophobicContact CD1-CG 4.02Å; Y226-P251 HydrophobicContact CE1-CB 3.96Å; Y226-P251 HydrophobicContact CE1-CG 3.88Å; Y226-P251 PolarHBondContact OH-O 2.83Å
252	P	93.6	Very high	97.5	Very high	132 Å²	132	59.7 Å²	59.7	86%	0.857	35%	0.349	S	S	*	.	S	Bend	trans	-64	160.5	-179.7	28.5	-35.6	0	0	0	111.8
253	G	93.9	Very high	97.5	Very high	76 Å²	76	62.5 Å²	62.5	78%	0.784	37%	0.366	S	S	*	.	S	Bend	trans	101.5	8.5	175.2	0	0	0	0	0	115.4
254	K	96.1	Very high	97.5	Very high	67 Å²	67	63.2 Å²	63.2	29%	0.291	37%	0.374	S	S	.	.	S	Bend	trans	-112.5	158.1	169.1	-56.8	-58.6	176.8	172	0	110.7	E130 I225 Y226 V258	E130-K254 WeakPolarHBondContact OE1-CA 3.46Å; I225-K254 HydrophobicContact CG2-CD 3.63Å; I225-K254 VanDerWaalsContact CG2-CE 3.43Å; I225-K254 HydrophobicContact CG2-CG 3.81Å; Y226-K254 HydrophobicContact CE1-CG 3.82Å; Y226-K254 WeakPolarHBondContact OH-CG 3.21Å; K254-V258 HydrophobicContact CB-CG1 3.81Å
255	S	97.8	Very high	97.5	Very high	41 Å²	41	61.6 Å²	61.6	29%	0.287	37%	0.365	S	S	.	.			trans	-64	145.2	-178.9	71.7	0	0	0	0	112	E130 V257 V258 C259	E130-S255 PolarHBondContact OE1-N 2.88Å; E130-S255 WeakPolarHBondContact OE2-CB 3.45Å; E130-S255 PolarHBondContact OE2-OG 3.5Å; S255-V257 PolarHBondContact O-N 2.6Å; S255-V257 VanDerWaalsContact O-N 3.16Å; S255-V258 VanDerWaalsContact O-CG1 3.32Å; S255-V258 WeakPolarHBondContact O-CG1 3.32Å; S255-V258 PolarHBondContact O-N 3.44Å; S255-V258 PolarHBondContact OG-N 2.81Å; S255-C259 PolarHBondContact O-N 2.85Å; S255-C259 VanDerWaalsContact O-N 3.11Å; S255-C259 PolarHBondContact O-SG 2.84Å; S255-C259 VanDerWaalsContact O-SG 3.42Å
256	E	97.9	Very high	97.6	Very high	176 Å²	176	55.9 Å²	55.9	82%	0.822	34%	0.339	S	S	*	.	H	α-helix	trans	-57.3	-31.4	173.7	-65.8	-178.2	175.5	0	0	111.7	C259 S260	E256-C259 PolarHBondContact O-N 2.93Å; E256-S260 WeakPolarHBondContact O-CB 3.2Å; E256-S260 PolarHBondContact O-N 2.77Å
257	V	98.3	Very high	97.6	Very high	60 Å²	60	53.5 Å²	53.5	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-43.9	179.2	-179.9	0	0	0	0	111.6	S255 L261 H286 P287 F288	S255-V257 PolarHBondContact O-N 2.6Å; S255-V257 VanDerWaalsContact O-N 3.16Å; V257-L261 PolarHBondContact O-N 2.89Å; V257-H286 PolarHBondContact O-CE1 3.31Å; V257-P287 HydrophobicContact CG1-CB 4.14Å; V257-F288 HydrophobicContact CG1-CB 3.78Å; V257-F288 HydrophobicContact CG1-CD2 4.27Å; V257-F288 VanDerWaalsContact CG1-N 3.28Å
258	V	98.4	Very high	97.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-74.4	-37.1	177.6	74.8	0	0	0	0	111.9	E130 I225 K254 S255 S260 L261 L262 F288	E130-V258 HydrophobicContact CG-CG1 4.35Å; I225-V258 HydrophobicContact CD1-CG1 4.5Å; I225-V258 HydrophobicContact CD1-CG2 3.31Å; K254-V258 HydrophobicContact CB-CG1 3.81Å; S255-V258 VanDerWaalsContact O-CG1 3.32Å; S255-V258 WeakPolarHBondContact O-CG1 3.32Å; S255-V258 PolarHBondContact O-N 3.44Å; S255-V258 PolarHBondContact OG-N 2.81Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 2.84Å; V258-L261 PolarHBondContact O-N 3.38Å; V258-L262 HydrophobicContact CG2-CD1 4.46Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.19Å; V258-F288 HydrophobicContact CB-CD2 3.78Å; V258-F288 HydrophobicContact CB-CE2 3.61Å; V258-F288 HydrophobicContact CG2-CD2 3.89Å; V258-F288 HydrophobicContact CG2-CE2 3.41Å; V258-F288 VanDerWaalsContact CG2-CE2 3.41Å; V258-F288 HydrophobicContact CG2-CZ 3.86Å
259	C	98.6	Very high	97.7	Very high	25 Å²	25	50.7 Å²	50.7	17%	0.169	31%	0.308	C	S	.	.	H	α-helix	trans	-58.4	-44	172.8	-69.2	0	0	0	0	111.3	L250 S255 E256 L261 L262 V263	L250-C259 HydrophobicContact CD1-CB 4.13Å; S255-C259 PolarHBondContact O-N 2.85Å; S255-C259 VanDerWaalsContact O-N 3.11Å; S255-C259 PolarHBondContact O-SG 2.84Å; S255-C259 VanDerWaalsContact O-SG 3.42Å; E256-C259 PolarHBondContact O-N 2.93Å; C259-L261 VanDerWaalsContact C-N 3.34Å; C259-L261 PolarHBondContact O-N 3.46Å; C259-L262 PolarHBondContact O-N 2.82Å; C259-V263 VanDerWaalsContact O-CG2 3.3Å; C259-V263 WeakPolarHBondContact O-CG2 3.13Å; C259-V263 PolarHBondContact O-N 2.87Å
260	S	98.6	Very high	97.6	Very high	68 Å²	68	49.1 Å²	49.1	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-62.1	-40.3	176.3	-173.2	0	0	0	0	112.2	E256 V258 V263 G264	E256-S260 WeakPolarHBondContact O-CB 3.2Å; E256-S260 PolarHBondContact O-N 2.77Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 2.84Å; S260-V263 PolarHBondContact O-N 2.69Å; S260-G264 PolarHBondContact O-N 3.49Å
261	L	98.8	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-47.7	176.5	-179.9	57.7	0	0	0	110.9	L221 V257 V258 C259 V263 G264 L265 L274 H286 F288 F289	L221-L261 HydrophobicContact CD2-CD2 3.49Å; L221-L261 VanDerWaalsContact CD2-CD2 3.49Å; L221-L261 HydrophobicContact CD2-CG 4.08Å; V257-L261 PolarHBondContact O-N 2.89Å; V258-L261 PolarHBondContact O-N 3.38Å; C259-L261 VanDerWaalsContact C-N 3.34Å; C259-L261 PolarHBondContact O-N 3.46Å; L261-V263 PolarHBondContact O-N 3.09Å; L261-G264 PolarHBondContact O-N 2.73Å; L261-G264 VanDerWaalsContact O-N 3.15Å; L261-L265 HydrophobicContact CD1-CD1 3.75Å; L261-L265 HydrophobicContact CD1-CG 3.91Å; L261-L265 HydrophobicContact CD2-CD1 4.36Å; L261-L265 HydrophobicContact CG-CD1 3.78Å; L261-L265 HydrophobicContact CG-CG 4.32Å; L261-L265 WeakPolarHBondContact O-CG 3.45Å; L261-L265 PolarHBondContact O-N 2.77Å; L261-L274 HydrophobicContact CD1-CD2 3.48Å; L261-L274 VanDerWaalsContact CD1-CD2 3.48Å; L261-H286 VanDerWaalsContact CB-CE1 3.44Å; L261-H286 WeakPolarHBondContact CB-CE1 3.32Å; L261-H286 HydrophobicContact CD1-CB 4.24Å; L261-H286 PolarHBondContact N-CE1 3.13Å; L261-F288 HydrophobicContact CB-CB 4.24Å; L261-F288 HydrophobicContact CD2-CB 3.78Å; L261-F288 HydrophobicContact CD2-CD1 3.21Å; L261-F288 HydrophobicContact CD2-CE1 3.84Å; L261-F288 HydrophobicContact CD2-CG 3.62Å; L261-F289 HydrophobicContact CD1-CE2 4.28Å; L261-F289 HydrophobicContact CD2-CE2 3.68Å; L261-F289 HydrophobicContact CD2-CZ 3.9Å
262	L	98.9	Very high	97.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-42.9	179.5	-71	171.8	0	0	0	111.7	G218 L221 Y222 Y226 L248 L250 V258 C259 G264 L265 L266	G218-L262 WeakPolarHBondContact O-CD2 3.41Å; L221-L262 HydrophobicContact CB-CD2 4.16Å; L221-L262 HydrophobicContact CD2-CD2 4.03Å; L221-L262 HydrophobicContact CG-CD2 3.93Å; Y222-L262 HydrophobicContact CD2-CD1 4.05Å; Y222-L262 HydrophobicContact CD2-CD2 4.39Å; Y226-L262 HydrophobicContact CE2-CD1 3.93Å; L248-L262 HydrophobicContact CD2-CB 4.1Å; L250-L262 HydrophobicContact CD2-CB 4.47Å; L250-L262 HydrophobicContact CD2-CD1 4.07Å; V258-L262 HydrophobicContact CG2-CD1 4.46Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.19Å; C259-L262 PolarHBondContact O-N 2.82Å; L262-G264 VanDerWaalsContact C-N 3.28Å; L262-G264 PolarHBondContact O-N 2.86Å; L262-L265 PolarHBondContact O-N 2.79Å; L262-L266 HydrophobicContact CD2-CD1 4.43Å; L262-L266 WeakPolarHBondContact O-CB 3.27Å; L262-L266 PolarHBondContact O-N 3.07Å
263	V	98.7	Very high	98	Very high	61 Å²	61	52.7 Å²	52.7	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-37.4	175	169.6	0	0	0	0	111.7	L248 L250 C259 S260 L261 Q267	L248-V263 HydrophobicContact CD2-CG2 4.2Å; L250-V263 HydrophobicContact CD1-CG2 3.8Å; C259-V263 VanDerWaalsContact O-CG2 3.3Å; C259-V263 WeakPolarHBondContact O-CG2 3.13Å; C259-V263 PolarHBondContact O-N 2.87Å; S260-V263 PolarHBondContact O-N 2.69Å; L261-V263 PolarHBondContact O-N 3.09Å; V263-Q267 WeakPolarHBondContact O-CG 3.27Å; V263-Q267 PolarHBondContact O-N 2.95Å; V263-Q267 PolarHBondContact O-NE2 3.45Å
264	G	98.8	Very high	98.2	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-70.6	-48.9	177.5	0	0	0	0	0	113.3	S260 L261 L262 L274	S260-G264 PolarHBondContact O-N 3.49Å; L261-G264 PolarHBondContact O-N 2.73Å; L261-G264 VanDerWaalsContact O-N 3.15Å; L262-G264 VanDerWaalsContact C-N 3.28Å; L262-G264 PolarHBondContact O-N 2.86Å; G264-L274 PolarHBondContact O-N 2.79Å
265	L	98.9	Very high	98.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-36.5	-179.8	-69.2	173.1	0	0	0	112.5	W214 L217 L261 L262 Q267 R273 L274 I283	W214-L265 HydrophobicContact CB-CD2 4.05Å; L217-L265 HydrophobicContact CD2-CD1 4.38Å; L217-L265 HydrophobicContact CG-CD1 4.31Å; L261-L265 HydrophobicContact CD1-CD1 3.75Å; L261-L265 HydrophobicContact CD1-CG 3.91Å; L261-L265 HydrophobicContact CD2-CD1 4.36Å; L261-L265 HydrophobicContact CG-CD1 3.78Å; L261-L265 HydrophobicContact CG-CG 4.32Å; L261-L265 WeakPolarHBondContact O-CG 3.45Å; L261-L265 PolarHBondContact O-N 2.77Å; L262-L265 PolarHBondContact O-N 2.79Å; L265-Q267 VanDerWaalsContact C-N 3.3Å; L265-Q267 PolarHBondContact O-N 3.41Å; L265-R273 WeakPolarHBondContact O-CD 3.28Å; L265-R273 VanDerWaalsContact O-CG 3.25Å; L265-R273 WeakPolarHBondContact O-CG 3.46Å; L265-L274 HydrophobicContact CD2-CB 4.36Å; L265-L274 HydrophobicContact CD2-CD2 4.28Å; L265-L274 HydrophobicContact CG-CD2 4.4Å; L265-I283 HydrophobicContact CD2-CD1 3.71Å
266	L	98.8	Very high	98.3	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.042	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	29.7	-179.1	-60.4	170.4	0	0	0	112.4	W215 A219 Y222 P230 L248 L262 K268	W215-L266 HydrophobicContact CD2-CD2 3.86Å; W215-L266 HydrophobicContact CE3-CB 4.42Å; W215-L266 HydrophobicContact CE3-CD2 4.01Å; W215-L266 HydrophobicContact CG-CD2 4.38Å; W215-L266 HydrophobicContact CH2-CD2 4.31Å; W215-L266 HydrophobicContact CZ2-CD2 4.15Å; W215-L266 VanDerWaalsContact CZ3-C 3.5Å; W215-L266 HydrophobicContact CZ3-CB 4.15Å; W215-L266 HydrophobicContact CZ3-CD2 4.25Å; W215-L266 WeakPolarHBondContact CZ3-O 3.31Å; A219-L266 HydrophobicContact CB-CD2 4.34Å; Y222-L266 HydrophobicContact CD2-CD1 4.42Å; P230-L266 HydrophobicContact CB-CD1 4.29Å; P230-L266 HydrophobicContact CG-CD1 4.08Å; L248-L266 HydrophobicContact CD1-CB 4.4Å; L248-L266 HydrophobicContact CD1-CD1 3.5Å; L248-L266 HydrophobicContact CD2-CB 4.3Å; L248-L266 HydrophobicContact CD2-CD1 4.07Å; L248-L266 HydrophobicContact CG-CD1 4.46Å; L262-L266 HydrophobicContact CD2-CD1 4.43Å; L262-L266 WeakPolarHBondContact O-CB 3.27Å; L262-L266 PolarHBondContact O-N 3.07Å; L266-K268 PolarHBondContact O-N 2.6Å
267	Q	98.6	Very high	98.2	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.248	24%	0.243	C	C	.	.			trans	-67.9	128.5	165	-82.7	-50.1	-52.9	0	0	110.7	V263 L265 D269 R273	V263-Q267 WeakPolarHBondContact O-CG 3.27Å; V263-Q267 PolarHBondContact O-N 2.95Å; V263-Q267 PolarHBondContact O-NE2 3.45Å; L265-Q267 VanDerWaalsContact C-N 3.3Å; L265-Q267 PolarHBondContact O-N 3.41Å; Q267-D269 VanDerWaalsContact C-N 3.3Å; Q267-D269 PolarHBondContact O-N 3.18Å; Q267-R273 HydrophobicContact CB-CB 4.14Å; Q267-R273 HydrophobicContact CB-CG 4.41Å; Q267-R273 PolarHBondContact O-NE 3.17Å; Q267-R273 PolarHBondContact O-NH2 3.35Å
268	K	98.5	Very high	98.1	Very high	39 Å²	39	45.1 Å²	45.1	17%	0.17	24%	0.243	C	C	.	.	S	Bend	trans	-75.9	-20.2	-178.2	-55.8	-171.8	-168.5	-68.9	0	113.9	P200 R204 W215 G242 I243 L244 K246 L266	P200-K268 HydrophobicContact CB-CB 4.37Å; P200-K268 HydrophobicContact CG-CB 3.98Å; P200-K268 HydrophobicContact CG-CG 4.15Å; R204-K268 PolarHBondContact NH1-O 3.44Å; W215-K268 HydrophobicContact CH2-CG 4.35Å; W215-K268 HydrophobicContact CZ3-CG 4.28Å; G242-K268 PolarHBondContact O-NZ 3.33Å; I243-K268 WeakPolarHBondContact O-CD 3.36Å; I243-K268 WeakPolarHBondContact O-CE 3.29Å; I243-K268 PolarHBondContact O-NZ 2.75Å; L244-K268 VanDerWaalsContact O-CD 3.27Å; L244-K268 WeakPolarHBondContact O-CD 3.49Å; K246-K268 WeakPolarHBondContact O-CE 3.36Å; K246-K268 PolarHBondContact O-NZ 2.57Å; L266-K268 PolarHBondContact O-N 2.6Å
269	D	98	Very high	98.1	Very high	64 Å²	64	46.5 Å²	46.5	34%	0.342	25%	0.251	S	S	.	.	S	Bend	trans	-90.8	112.8	169.1	177.7	-6.2	0	0	0	107.9	Q267 H271 R272 R273	Q267-D269 VanDerWaalsContact C-N 3.3Å; Q267-D269 PolarHBondContact O-N 3.18Å; D269-H271 PolarHBondContact O-N 2.91Å; D269-H271 IonicContact OD1-CD2 3.15Å; D269-H271 IonicContact OD1-CG 2.86Å; D269-H271 PolarHBondContact OD1-N 3.12Å; D269-R272 HydrophobicContact CB-CB 4.26Å; D269-R272 HydrophobicContact CB-CG 4.32Å; D269-R272 PolarHBondContact O-N 3.35Å; D269-R272 VanDerWaalsContact O-N 3.11Å; D269-R272 VanDerWaalsContact OD2-CD 3.28Å; D269-R272 WeakPolarHBondContact OD2-CD 3.44Å; D269-R272 WeakPolarHBondContact OD2-CG 3.47Å; D269-R273 PolarHBondContact O-N 3.43Å
270	P	97.3	Very high	98.1	Very high	22 Å²	22	47.4 Å²	47.4	14%	0.143	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.2	-28.9	-176.8	24.8	-33.5	0	0	0	112.6	R272 R273 A276	P270-R272 VanDerWaalsContact C-N 3.26Å; P270-R272 PolarHBondContact O-N 2.98Å; P270-R273 WeakPolarHBondContact O-CB 3.3Å; P270-R273 PolarHBondContact O-N 3.34Å; P270-A276 WeakPolarHBondContact O-CB 3.38Å
271	H	96.6	Very high	98	Very high	146 Å²	146	48.6 Å²	48.6	68%	0.676	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-74	-18.1	179.2	-60.7	-58.2	0	0	0	113.6	D269	D269-H271 PolarHBondContact O-N 2.91Å; D269-H271 IonicContact OD1-CD2 3.15Å; D269-H271 IonicContact OD1-CG 2.86Å; D269-H271 PolarHBondContact OD1-N 3.12Å
272	R	98.1	Very high	98	Very high	181 Å²	181	50.7 Å²	50.7	68%	0.683	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-102.4	-1.5	176.4	-62.7	179.5	64.2	-169.1	-2	112.3	D269 P270	D269-R272 HydrophobicContact CB-CB 4.26Å; D269-R272 HydrophobicContact CB-CG 4.32Å; D269-R272 PolarHBondContact O-N 3.35Å; D269-R272 VanDerWaalsContact O-N 3.11Å; D269-R272 VanDerWaalsContact OD2-CD 3.28Å; D269-R272 WeakPolarHBondContact OD2-CD 3.44Å; D269-R272 WeakPolarHBondContact OD2-CG 3.47Å; P270-R272 VanDerWaalsContact C-N 3.26Å; P270-R272 PolarHBondContact O-N 2.98Å
273	R	98.6	Very high	98	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.011	26%	0.262	C	S	.	.	S	Bend	trans	-72.6	141.6	-179.2	-165.5	176.8	-64.2	148.9	5.3	110.4	E201 T211 L265 Q267 D269 P270 G275 A276	E201-R273 IonicContact OE1-CZ 3.19Å; E201-R273 IonicContact OE1-NH1 3.35Å; E201-R273 PolarHBondContact OE1-NH1 3.09Å; E201-R273 IonicContact OE1-NH2 3.15Å; E201-R273 PolarHBondContact OE1-NH2 2.94Å; E201-R273 VanDerWaalsContact OE1-NH2 3.15Å; E201-R273 IonicContact OE2-CZ 3.12Å; E201-R273 IonicContact OE2-NH1 3.8Å; E201-R273 IonicContact OE2-NH2 3.72Å; E201-R273 PolarHBondContact OE2-NH2 2.71Å; T211-R273 WeakPolarHBondContact O-CD 3.19Å; T211-R273 PolarHBondContact O-NH1 2.79Å; L265-R273 WeakPolarHBondContact O-CD 3.28Å; L265-R273 VanDerWaalsContact O-CG 3.25Å; L265-R273 WeakPolarHBondContact O-CG 3.46Å; Q267-R273 HydrophobicContact CB-CB 4.14Å; Q267-R273 HydrophobicContact CB-CG 4.41Å; Q267-R273 PolarHBondContact O-NE 3.17Å; Q267-R273 PolarHBondContact O-NH2 3.35Å; D269-R273 PolarHBondContact O-N 3.43Å; P270-R273 WeakPolarHBondContact O-CB 3.3Å; P270-R273 PolarHBondContact O-N 3.34Å; R273-G275 PolarHBondContact O-N 3.36Å; R273-A276 WeakPolarHBondContact O-CB 3.36Å; R273-A276 PolarHBondContact O-N 3Å
274	L	98.7	Very high	98	Very high	29 Å²	29	51.6 Å²	51.6	15%	0.152	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	124	171.5	-171.4	73.8	0	0	0	108.8	L261 G264 L265 E282 I283 H286	L261-L274 HydrophobicContact CD1-CD2 3.48Å; L261-L274 VanDerWaalsContact CD1-CD2 3.48Å; G264-L274 PolarHBondContact O-N 2.79Å; L265-L274 HydrophobicContact CD2-CB 4.36Å; L265-L274 HydrophobicContact CD2-CD2 4.28Å; L265-L274 HydrophobicContact CG-CD2 4.4Å; L274-E282 HydrophobicContact CD1-CB 3.91Å; L274-E282 HydrophobicContact CG-CB 4.3Å; L274-I283 HydrophobicContact CB-CD1 4.37Å; L274-I283 HydrophobicContact CD2-CD1 3.87Å; L274-I283 HydrophobicContact CG-CD1 3.75Å; L274-H286 HydrophobicContact CD2-CB 4.33Å
275	G	97.9	Very high	98	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.4	1.5	-172.1	0	0	0	0	0	114.1	R273 D279 E282	R273-G275 PolarHBondContact O-N 3.36Å; G275-D279 VanDerWaalsContact O-CA 3.22Å; G275-D279 WeakPolarHBondContact O-CA 3.38Å; G275-D279 PolarHBondContact O-N 3.21Å; G275-E282 WeakPolarHBondContact CA-OE2 3.3Å; G275-E282 PolarHBondContact N-OE2 3.23Å
276	A	97.2	Very high	98	Very high	38 Å²	38	57.2 Å²	57.2	31%	0.314	29%	0.286	S	S	.	.	S	Bend	trans	-79.2	-27.3	176.8	0	0	0	0	0	114	T211 P270 R273 E282	T211-A276 HydrophobicContact CG2-CB 4.15Å; P270-A276 WeakPolarHBondContact O-CB 3.38Å; R273-A276 WeakPolarHBondContact O-CB 3.36Å; R273-A276 PolarHBondContact O-N 3Å; A276-E282 PolarHBondContact N-OE2 3.37Å; A276-E282 VanDerWaalsContact N-OE2 3.11Å
277	I	95.8	Very high	98	Very high	148 Å²	148	60.8 Å²	60.8	76%	0.759	31%	0.31	S	S	*	.	S	Bend	trans	-97.2	-50.7	-172.8	-57.6	175.8	0	0	0	110.8	E282	I277-E282 PolarHBondContact N-OE2 3.2Å
278	A	96.7	Very high	98	Very high	44 Å²	44	58.3 Å²	58.3	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-127.8	23.1	-177	0	0	0	0	0	112.6	F280 L281 E282	A278-F280 PolarHBondContact O-N 3.11Å; A278-L281 HydrophobicContact CB-CB 4.15Å; A278-L281 HydrophobicContact CB-CD2 4.46Å; A278-L281 VanDerWaalsContact O-CB 3.31Å; A278-L281 WeakPolarHBondContact O-CB 3.42Å; A278-L281 PolarHBondContact O-N 2.91Å; A278-E282 HydrophobicContact CB-CG 3.9Å; A278-E282 PolarHBondContact N-OE2 2.77Å; A278-E282 VanDerWaalsContact N-OE2 3.15Å
279	D	97.7	Very high	98	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.15	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-128.7	172.8	-167.9	55.1	0	0	0	111.9	H148 R210 W214 G275 L281 E282	H148-D279 VanDerWaalsContact CB-OD2 3.29Å; H148-D279 WeakPolarHBondContact CB-OD2 3.5Å; H148-D279 IonicContact CE1-OD1 2.75Å; H148-D279 IonicContact CG-OD1 3.59Å; H148-D279 IonicContact CG-OD2 3.96Å; H148-D279 IonicContact ND1-OD1 3.51Å; H148-D279 PolarHBondContact ND1-OD1 3.25Å; H148-D279 IonicContact ND1-OD2 3.49Å; H148-D279 PolarHBondContact ND1-OD2 2.9Å; R210-D279 WeakPolarHBondContact CD-OD1 3.33Å; W214-D279 WeakPolarHBondContact CZ2-OD1 3.5Å; W214-D279 PolarHBondContact NE1-OD1 2.99Å; G275-D279 VanDerWaalsContact O-CA 3.22Å; G275-D279 WeakPolarHBondContact O-CA 3.38Å; G275-D279 PolarHBondContact O-N 3.21Å; D279-L281 PolarHBondContact O-N 2.85Å; D279-E282 PolarHBondContact O-N 3.06Å; D279-E282 VanDerWaalsContact O-N 3.12Å
280	F	98.1	Very high	98	Very high	44 Å²	44	57.4 Å²	57.4	19%	0.193	31%	0.307	C	S	.	.	H	α-helix	trans	-56.3	-27.3	-179.1	178.4	-125.2	0	0	0	113.9	A141 W214 A278 E282 I283 K284 W294	A141-F280 VanDerWaalsContact C-CE2 3.45Å; A141-F280 HydrophobicContact CB-CD2 4.32Å; A141-F280 HydrophobicContact CB-CE2 3.9Å; A141-F280 VanDerWaalsContact O-CD2 3.3Å; A141-F280 WeakPolarHBondContact O-CD2 3.46Å; A141-F280 WeakPolarHBondContact O-CE2 3.36Å; W214-F280 HydrophobicContact CH2-CB 4.08Å; W214-F280 AromaticContact CH2-CD2 3.95Å; W214-F280 HydrophobicContact CH2-CD2 3.95Å; W214-F280 HydrophobicContact CH2-CG 4.48Å; W214-F280 HydrophobicContact CZ2-CB 4.03Å; A278-F280 PolarHBondContact O-N 3.11Å; F280-E282 VanDerWaalsContact C-N 3.31Å; F280-E282 PolarHBondContact O-N 3.1Å; F280-I283 HydrophobicContact CD2-CB 4.36Å; F280-I283 PolarHBondContact O-N 3.29Å; F280-K284 HydrophobicContact CE1-CD 4.37Å; F280-K284 HydrophobicContact CZ-CB 4.43Å; F280-K284 VanDerWaalsContact O-CB 3.27Å; F280-K284 WeakPolarHBondContact O-CB 3.49Å; F280-K284 PolarHBondContact O-N 3.09Å; F280-W294 HydrophobicContact CE2-CE3 4.39Å; F280-W294 AromaticContact CE2-CH2 3.97Å; F280-W294 HydrophobicContact CE2-CH2 3.97Å; F280-W294 AromaticContact CE2-CZ3 3.71Å; F280-W294 HydrophobicContact CE2-CZ3 3.71Å; F280-W294 AromaticContact CZ-CE3 3.73Å; F280-W294 HydrophobicContact CZ-CE3 3.73Å; F280-W294 HydrophobicContact CZ-CH2 4.13Å; F280-W294 AromaticContact CZ-CZ3 3.51Å; F280-W294 HydrophobicContact CZ-CZ3 3.51Å
281	L	98.4	Very high	98	Very high	93 Å²	93	60.8 Å²	60.8	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-34.6	-179.6	-173.6	61.6	0	0	0	112.2	A278 D279 N285	A278-L281 HydrophobicContact CB-CB 4.15Å; A278-L281 HydrophobicContact CB-CD2 4.46Å; A278-L281 VanDerWaalsContact O-CB 3.31Å; A278-L281 WeakPolarHBondContact O-CB 3.42Å; A278-L281 PolarHBondContact O-N 2.91Å; D279-L281 PolarHBondContact O-N 2.85Å; L281-N285 WeakPolarHBondContact CD1-ND2 3.35Å; L281-N285 WeakPolarHBondContact O-CB 2.82Å; L281-N285 PolarHBondContact O-N 3.25Å; L281-N285 VanDerWaalsContact O-N 3.11Å; L281-N285 PolarHBondContact O-ND2 3.4Å; L281-N285 VanDerWaalsContact O-ND2 3.14Å
282	E	98.6	Very high	98.1	Very high	45 Å²	45	54.9 Å²	54.9	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-67	-41.2	174.8	-63.4	-171.5	100.1	0	0	111.1	L274 G275 A276 I277 A278 D279 F280 N285 H286	L274-E282 HydrophobicContact CD1-CB 3.91Å; L274-E282 HydrophobicContact CG-CB 4.3Å; G275-E282 WeakPolarHBondContact CA-OE2 3.3Å; G275-E282 PolarHBondContact N-OE2 3.23Å; A276-E282 PolarHBondContact N-OE2 3.37Å; A276-E282 VanDerWaalsContact N-OE2 3.11Å; I277-E282 PolarHBondContact N-OE2 3.2Å; A278-E282 HydrophobicContact CB-CG 3.9Å; A278-E282 PolarHBondContact N-OE2 2.77Å; A278-E282 VanDerWaalsContact N-OE2 3.15Å; D279-E282 PolarHBondContact O-N 3.06Å; D279-E282 VanDerWaalsContact O-N 3.12Å; F280-E282 VanDerWaalsContact C-N 3.31Å; F280-E282 PolarHBondContact O-N 3.1Å; E282-N285 PolarHBondContact O-N 2.99Å; E282-H286 PolarHBondContact O-N 3.45Å
283	I	98.5	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-49.7	176.5	-45.9	-46.7	0	0	0	109.6	A141 W214 L217 L265 L274 F280 N285 H286 F289	A141-I283 HydrophobicContact CB-CG2 3.92Å; W214-I283 HydrophobicContact CD2-CD1 4.1Å; W214-I283 HydrophobicContact CD2-CG1 3.94Å; W214-I283 HydrophobicContact CE3-CD1 4.15Å; W214-I283 HydrophobicContact CE3-CG1 3.75Å; W214-I283 HydrophobicContact CG-CD1 4.39Å; W214-I283 HydrophobicContact CH2-CG1 3.97Å; W214-I283 HydrophobicContact CZ2-CG1 4.13Å; W214-I283 HydrophobicContact CZ3-CG1 3.77Å; L217-I283 HydrophobicContact CD2-CG2 4.28Å; L265-I283 HydrophobicContact CD2-CD1 3.71Å; L274-I283 HydrophobicContact CB-CD1 4.37Å; L274-I283 HydrophobicContact CD2-CD1 3.87Å; L274-I283 HydrophobicContact CG-CD1 3.75Å; F280-I283 HydrophobicContact CD2-CB 4.36Å; F280-I283 PolarHBondContact O-N 3.29Å; I283-N285 PolarHBondContact O-N 3.48Å; I283-H286 WeakPolarHBondContact O-CB 3.15Å; I283-H286 PolarHBondContact O-N 2.91Å; I283-H286 VanDerWaalsContact O-N 3.16Å; I283-F289 HydrophobicContact CG2-CD2 4.39Å; I283-F289 HydrophobicContact CG2-CE2 3.68Å; I283-F289 HydrophobicContact CG2-CZ 4.29Å; I283-F289 WeakPolarHBondContact O-CD2 3.4Å
284	K	98.1	Very high	98.1	Very high	80 Å²	80	51.2 Å²	51.2	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-55.4	-39.6	-178.7	-169.2	-177.2	-179.9	173	0	112.7	F280 W294	F280-K284 HydrophobicContact CE1-CD 4.37Å; F280-K284 HydrophobicContact CZ-CB 4.43Å; F280-K284 VanDerWaalsContact O-CB 3.27Å; F280-K284 WeakPolarHBondContact O-CB 3.49Å; F280-K284 PolarHBondContact O-N 3.09Å; K284-W294 HydrophobicContact CB-CZ2 4.21Å; K284-W294 HydrophobicContact CD-CD2 4.39Å; K284-W294 HydrophobicContact CD-CG 4.16Å; K284-W294 HydrophobicContact CG-CD2 3.74Å; K284-W294 VanDerWaalsContact CG-CE2 3.42Å; K284-W294 HydrophobicContact CG-CG 3.84Å; K284-W294 HydrophobicContact CG-CZ2 3.96Å; K284-W294 VanDerWaalsContact CG-NE1 3.29Å; K284-W294 PolarHBondContact O-NE1 3.04Å
285	N	98.5	Very high	98.1	Very high	112 Å²	112	53.8 Å²	53.8	60%	0.599	31%	0.308	S	S	*	.	H	α-helix	trans	-89.6	-4.9	-175.2	-67.8	-23.2	0	0	0	113.9	L281 E282 I283	L281-N285 WeakPolarHBondContact CD1-ND2 3.35Å; L281-N285 WeakPolarHBondContact O-CB 2.82Å; L281-N285 PolarHBondContact O-N 3.25Å; L281-N285 VanDerWaalsContact O-N 3.11Å; L281-N285 PolarHBondContact O-ND2 3.4Å; L281-N285 VanDerWaalsContact O-ND2 3.14Å; E282-N285 PolarHBondContact O-N 2.99Å; I283-N285 PolarHBondContact O-N 3.48Å
286	H	98.8	Very high	98.1	Very high	22 Å²	22	55.7 Å²	55.7	10%	0.102	32%	0.318	C	S	.	.	S	Bend	trans	-64.9	136.9	178.9	-171.8	-86.2	0	0	0	110.9	V257 L261 L274 E282 I283 F288 F289	V257-H286 PolarHBondContact O-CE1 3.31Å; L261-H286 VanDerWaalsContact CB-CE1 3.44Å; L261-H286 WeakPolarHBondContact CB-CE1 3.32Å; L261-H286 HydrophobicContact CD1-CB 4.24Å; L261-H286 PolarHBondContact N-CE1 3.13Å; L274-H286 HydrophobicContact CD2-CB 4.33Å; E282-H286 PolarHBondContact O-N 3.45Å; I283-H286 WeakPolarHBondContact O-CB 3.15Å; I283-H286 PolarHBondContact O-N 2.91Å; I283-H286 VanDerWaalsContact O-N 3.16Å; H286-F288 VanDerWaalsContact ND1-CB 3.34Å; H286-F288 WeakPolarHBondContact ND1-CB 3.48Å; H286-F288 PolarHBondContact ND1-N 2.95Å; H286-F288 VanDerWaalsContact ND1-N 3.19Å; H286-F288 PolarHBondContact O-N 3.04Å; H286-F289 HydrophobicContact CB-CD2 4.32Å; H286-F289 PolarHBondContact O-N 3.48Å
287	P	98.8	Very high	98.2	Very high	84 Å²	84	53.9 Å²	53.9	55%	0.545	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.4	-25.6	-175.4	-29.2	35.4	0	0	0	115.4	V257 F289 A290	V257-P287 HydrophobicContact CG1-CB 4.14Å; P287-F289 PolarHBondContact O-N 3.48Å; P287-A290 VanDerWaalsContact O-CB 3.25Å; P287-A290 WeakPolarHBondContact O-CB 3.35Å; P287-A290 PolarHBondContact O-N 3.01Å; P287-A290 VanDerWaalsContact O-N 3.11Å
288	F	98.8	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33	173.8	-177.1	-106.9	0	0	0	113	R134 L221 V257 V258 L261 H286	R134-F288 HydrophobicContact CB-CD1 4.44Å; R134-F288 HydrophobicContact CB-CE1 3.62Å; R134-F288 HydrophobicContact CB-CE2 4.32Å; R134-F288 HydrophobicContact CB-CZ 3.53Å; R134-F288 WeakPolarHBondContact CD-O 3.42Å; R134-F288 HydrophobicContact CG-CD1 4.09Å; R134-F288 HydrophobicContact CG-CE1 3.74Å; R134-F288 HydrophobicContact CG-CZ 4.06Å; R134-F288 PolarHBondContact NE-O 2.85Å; L221-F288 HydrophobicContact CD1-CE1 4.38Å; L221-F288 HydrophobicContact CD1-CZ 4.31Å; L221-F288 HydrophobicContact CD2-CE1 4.28Å; V257-F288 HydrophobicContact CG1-CB 3.78Å; V257-F288 HydrophobicContact CG1-CD2 4.27Å; V257-F288 VanDerWaalsContact CG1-N 3.28Å; V258-F288 HydrophobicContact CB-CD2 3.78Å; V258-F288 HydrophobicContact CB-CE2 3.61Å; V258-F288 HydrophobicContact CG2-CD2 3.89Å; V258-F288 HydrophobicContact CG2-CE2 3.41Å; V258-F288 VanDerWaalsContact CG2-CE2 3.41Å; V258-F288 HydrophobicContact CG2-CZ 3.86Å; L261-F288 HydrophobicContact CB-CB 4.24Å; L261-F288 HydrophobicContact CD2-CB 3.78Å; L261-F288 HydrophobicContact CD2-CD1 3.21Å; L261-F288 HydrophobicContact CD2-CE1 3.84Å; L261-F288 HydrophobicContact CD2-CG 3.62Å; H286-F288 VanDerWaalsContact ND1-CB 3.34Å; H286-F288 WeakPolarHBondContact ND1-CB 3.48Å; H286-F288 PolarHBondContact ND1-N 2.95Å; H286-F288 VanDerWaalsContact ND1-N 3.19Å; H286-F288 PolarHBondContact O-N 3.04Å
289	F	98.8	Very high	98.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-96.9	4.9	179.5	-60.1	-72.7	0	0	0	113.5	R134 A137 A138 L261 I283 H286 P287 P291 I292 W294	R134-F289 HydrophobicContact CG-CD1 4.07Å; R134-F289 HydrophobicContact CG-CE1 4.42Å; A137-F289 HydrophobicContact CB-CE1 4.08Å; A137-F289 HydrophobicContact CB-CZ 4.15Å; A138-F289 HydrophobicContact CB-CD1 3.86Å; A138-F289 HydrophobicContact CB-CE1 3.88Å; L261-F289 HydrophobicContact CD1-CE2 4.28Å; L261-F289 HydrophobicContact CD2-CE2 3.68Å; L261-F289 HydrophobicContact CD2-CZ 3.9Å; I283-F289 HydrophobicContact CG2-CD2 4.39Å; I283-F289 HydrophobicContact CG2-CE2 3.68Å; I283-F289 HydrophobicContact CG2-CZ 4.29Å; I283-F289 WeakPolarHBondContact O-CD2 3.4Å; H286-F289 HydrophobicContact CB-CD2 4.32Å; H286-F289 PolarHBondContact O-N 3.48Å; P287-F289 PolarHBondContact O-N 3.48Å; F289-P291 VanDerWaalsContact C-N 3.25Å; F289-P291 VanDerWaalsContact O-N 3.14Å; F289-I292 HydrophobicContact CD1-CG1 4.46Å; F289-I292 WeakPolarHBondContact O-CB 3.36Å; F289-I292 PolarHBondContact O-N 3.49Å; F289-W294 HydrophobicContact CB-CZ2 3.62Å; F289-W294 HydrophobicContact CD1-CH2 4.24Å; F289-W294 HydrophobicContact CD1-CZ2 4.11Å; F289-W294 HydrophobicContact CD2-CZ2 4.31Å; F289-W294 HydrophobicContact CG-CH2 4.26Å; F289-W294 AromaticContact CG-CZ2 3.77Å; F289-W294 HydrophobicContact CG-CZ2 3.77Å
290	A	98.3	Very high	98.3	Very high	83 Å²	83	56 Å²	56	69%	0.686	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.9	178.5	0	0	0	0	0	114.7	P287 I292	P287-A290 VanDerWaalsContact O-CB 3.25Å; P287-A290 WeakPolarHBondContact O-CB 3.35Å; P287-A290 PolarHBondContact O-N 3.01Å; P287-A290 VanDerWaalsContact O-N 3.11Å; A290-I292 PolarHBondContact O-N 3.45Å
291	P	97.9	Very high	98.3	Very high	92 Å²	92	60.7 Å²	60.7	60%	0.597	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.8	174.9	-20.5	34.6	0	0	0	115.4	F289	F289-P291 VanDerWaalsContact C-N 3.25Å; F289-P291 VanDerWaalsContact O-N 3.14Å
292	I	98.4	Very high	98.3	Very high	22 Å²	22	58.2 Å²	58.2	11%	0.113	30%	0.3	C	S	.	.			trans	-93.8	118.4	-174.7	-57.3	-61.4	0	0	0	109.9	R134 A138 F289 A290 W294 L297 I302	R134-I292 HydrophobicContact CG-CD1 4.3Å; R134-I292 HydrophobicContact CG-CG1 4.17Å; A138-I292 HydrophobicContact CB-CG1 4.26Å; A138-I292 HydrophobicContact CB-CG2 4.28Å; F289-I292 HydrophobicContact CD1-CG1 4.46Å; F289-I292 WeakPolarHBondContact O-CB 3.36Å; F289-I292 PolarHBondContact O-N 3.49Å; A290-I292 PolarHBondContact O-N 3.45Å; I292-W294 HydrophobicContact CG2-CD2 4.26Å; I292-W294 HydrophobicContact CG2-CG 4.49Å; I292-W294 PolarHBondContact O-N 2.96Å; I292-L297 HydrophobicContact CG2-CB 4.13Å; I292-L297 HydrophobicContact CG2-CD1 4.2Å; I292-L297 HydrophobicContact CG2-CD2 4.12Å; I292-L297 HydrophobicContact CG2-CG 4.39Å; I292-I302 HydrophobicContact CG2-CD1 4.2Å
293	N	98.5	Very high	98.3	Very high	79 Å²	79	62 Å²	62	42%	0.422	33%	0.326	S	S	.	.			trans	-78.8	107.3	160.8	-177.9	-15.3	0	0	0	108.8	D295 D296 L297	N293-D295 VanDerWaalsContact C-N 3.26Å; N293-D295 PolarHBondContact O-N 3.49Å; N293-D295 WeakPolarHBondContact OD1-CB 3.35Å; N293-D295 PolarHBondContact OD1-N 3.32Å; N293-D296 HydrophobicContact CB-CB 4.02Å; N293-D296 WeakPolarHBondContact CB-OD2 3.41Å; N293-D296 VanDerWaalsContact CG-OD2 3.24Å; N293-D296 PolarHBondContact ND2-OD2 2.66Å; N293-D296 PolarHBondContact O-N 2.93Å; N293-D296 PolarHBondContact OD1-N 3Å; N293-L297 WeakPolarHBondContact O-CB 3.43Å; N293-L297 PolarHBondContact O-N 3.19Å
294	W	98.3	Very high	98.2	Very high	28 Å²	28	63 Å²	63	11%	0.106	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-26.9	-177	-66.4	92.8	0	0	0	114.3	A138 A141 F280 K284 F289 I292 L297 Y298	A138-W294 HydrophobicContact CB-CH2 3.97Å; A138-W294 HydrophobicContact CB-CZ3 4.08Å; A138-W294 WeakPolarHBondContact O-CZ3 3.4Å; A141-W294 HydrophobicContact CB-CH2 4.48Å; F280-W294 HydrophobicContact CE2-CE3 4.39Å; F280-W294 AromaticContact CE2-CH2 3.97Å; F280-W294 HydrophobicContact CE2-CH2 3.97Å; F280-W294 AromaticContact CE2-CZ3 3.71Å; F280-W294 HydrophobicContact CE2-CZ3 3.71Å; F280-W294 AromaticContact CZ-CE3 3.73Å; F280-W294 HydrophobicContact CZ-CE3 3.73Å; F280-W294 HydrophobicContact CZ-CH2 4.13Å; F280-W294 AromaticContact CZ-CZ3 3.51Å; F280-W294 HydrophobicContact CZ-CZ3 3.51Å; K284-W294 HydrophobicContact CB-CZ2 4.21Å; K284-W294 HydrophobicContact CD-CD2 4.39Å; K284-W294 HydrophobicContact CD-CG 4.16Å; K284-W294 HydrophobicContact CG-CD2 3.74Å; K284-W294 VanDerWaalsContact CG-CE2 3.42Å; K284-W294 HydrophobicContact CG-CG 3.84Å; K284-W294 HydrophobicContact CG-CZ2 3.96Å; K284-W294 VanDerWaalsContact CG-NE1 3.29Å; K284-W294 PolarHBondContact O-NE1 3.04Å; F289-W294 HydrophobicContact CB-CZ2 3.62Å; F289-W294 HydrophobicContact CD1-CH2 4.24Å; F289-W294 HydrophobicContact CD1-CZ2 4.11Å; F289-W294 HydrophobicContact CD2-CZ2 4.31Å; F289-W294 HydrophobicContact CG-CH2 4.26Å; F289-W294 AromaticContact CG-CZ2 3.77Å; F289-W294 HydrophobicContact CG-CZ2 3.77Å; I292-W294 HydrophobicContact CG2-CD2 4.26Å; I292-W294 HydrophobicContact CG2-CG 4.49Å; I292-W294 PolarHBondContact O-N 2.96Å; W294-L297 HydrophobicContact CE3-CD2 3.69Å; W294-L297 HydrophobicContact CZ3-CD2 3.85Å; W294-Y298 WeakPolarHBondContact O-CB 3.41Å; W294-Y298 PolarHBondContact O-N 3.35Å
295	D	98.1	Very high	98.1	Very high	83 Å²	83	62.4 Å²	62.4	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-74.1	-38.9	174.9	-177.6	56.1	0	0	0	111.4	N293 H299 R301	N293-D295 VanDerWaalsContact C-N 3.26Å; N293-D295 PolarHBondContact O-N 3.49Å; N293-D295 WeakPolarHBondContact OD1-CB 3.35Å; N293-D295 PolarHBondContact OD1-N 3.32Å; D295-H299 PolarHBondContact O-N 3.12Å; D295-H299 PolarHBondContact O-ND1 2.75Å; D295-H299 IonicContact OD1-CE1 2.68Å; D295-H299 PolarHBondContact OD1-CE1 2.75Å; D295-H299 IonicContact OD1-ND1 3.84Å; D295-H299 PolarHBondContact OD1-ND1 3.42Å; D295-H299 VanDerWaalsContact OD1-ND1 3.15Å; D295-R301 PolarHBondContact O-NH2 2.84Å; D295-R301 IonicContact OD1-NH2 2.74Å; D295-R301 IonicContact OD2-CZ 2.71Å; D295-R301 IonicContact OD2-NH2 3.46Å; D295-R301 PolarHBondContact OD2-NH2 3.33Å
296	D	98.6	Very high	98	Very high	42 Å²	42	59.3 Å²	59.3	23%	0.225	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-38.6	172.5	-67.1	-31.6	0	0	0	111.1	N293 H299 K300 R301 I302	N293-D296 HydrophobicContact CB-CB 4.02Å; N293-D296 WeakPolarHBondContact CB-OD2 3.41Å; N293-D296 VanDerWaalsContact CG-OD2 3.24Å; N293-D296 PolarHBondContact ND2-OD2 2.66Å; N293-D296 PolarHBondContact O-N 2.93Å; N293-D296 PolarHBondContact OD1-N 3Å; D296-H299 PolarHBondContact O-N 2.97Å; D296-K300 PolarHBondContact O-N 2.85Å; D296-R301 HydrophobicContact CB-CB 4.02Å; D296-R301 PolarHBondContact O-N 2.81Å; D296-R301 IonicContact OD1-CZ 3.92Å; D296-R301 IonicContact OD1-NE 3.94Å; D296-R301 PolarHBondContact OD1-NE 3.35Å; D296-R301 IonicContact OD1-NH1 3.18Å; D296-R301 PolarHBondContact OD1-NH1 2.86Å; D296-R301 IonicContact OD1-NH2 3.25Å; D296-R301 PolarHBondContact OD1-NH2 3.24Å; D296-R301 VanDerWaalsContact OD1-NH2 3.14Å; D296-I302 HydrophobicContact CB-CD1 4.24Å; D296-I302 HydrophobicContact CB-CG1 3.74Å
297	L	98.4	Very high	97.8	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-55.4	175.5	-170.4	82	0	0	0	110.5	F92 F135 A138 E139 I292 N293 W294 H299 K300 I302	F92-L297 HydrophobicContact CE2-CD2 4.44Å; F92-L297 HydrophobicContact CE2-CG 4.16Å; F92-L297 HydrophobicContact CZ-CG 4.25Å; F92-L297 VanDerWaalsContact CZ-O 3.25Å; F92-L297 WeakPolarHBondContact CZ-O 3.5Å; F135-L297 HydrophobicContact CD2-CD1 4.44Å; F135-L297 HydrophobicContact CE2-CD1 4.23Å; A138-L297 HydrophobicContact CB-CD1 4.35Å; A138-L297 HydrophobicContact CB-CD2 3.75Å; E139-L297 HydrophobicContact CG-CD1 3.73Å; E139-L297 HydrophobicContact CG-CD2 4.42Å; E139-L297 HydrophobicContact CG-CG 4.16Å; I292-L297 HydrophobicContact CG2-CB 4.13Å; I292-L297 HydrophobicContact CG2-CD1 4.2Å; I292-L297 HydrophobicContact CG2-CD2 4.12Å; I292-L297 HydrophobicContact CG2-CG 4.39Å; N293-L297 WeakPolarHBondContact O-CB 3.43Å; N293-L297 PolarHBondContact O-N 3.19Å; W294-L297 HydrophobicContact CE3-CD2 3.69Å; W294-L297 HydrophobicContact CZ3-CD2 3.85Å; L297-H299 VanDerWaalsContact C-N 3.28Å; L297-H299 PolarHBondContact O-N 2.58Å; L297-K300 PolarHBondContact O-N 3.06Å; L297-I302 HydrophobicContact CB-CD1 3.91Å; L297-I302 HydrophobicContact CD1-CD1 3.98Å
298	Y	97.4	Very high	97.5	Very high	89 Å²	89	58.8 Å²	58.8	35%	0.349	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-42.1	-179.1	-177.8	-94.4	0	0	0	111.8	K89 H90 P91 W294 K300	K89-Y298 PolarHBondContact O-OH 2.8Å; H90-Y298 AromaticContact CD2-CE2 3.61Å; H90-Y298 AromaticContact NE2-CD2 3.86Å; H90-Y298 AromaticContact NE2-CE2 3.79Å; P91-Y298 HydrophobicContact CG-CD2 4.03Å; P91-Y298 HydrophobicContact CG-CE2 4.07Å; P91-Y298 HydrophobicContact CG-CG 4.45Å; P91-Y298 VanDerWaalsContact CG-O 3.26Å; P91-Y298 WeakPolarHBondContact CG-O 3.16Å; W294-Y298 WeakPolarHBondContact O-CB 3.41Å; W294-Y298 PolarHBondContact O-N 3.35Å; Y298-K300 PolarHBondContact O-N 3.38Å
299	H	97.5	Very high	97.2	Very high	107 Å²	107	64.8 Å²	64.8	50%	0.495	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	13.4	178.5	-63.8	99.1	0	0	0	114	D295 D296 L297 R301	D295-H299 PolarHBondContact O-N 3.12Å; D295-H299 PolarHBondContact O-ND1 2.75Å; D295-H299 IonicContact OD1-CE1 2.68Å; D295-H299 PolarHBondContact OD1-CE1 2.75Å; D295-H299 IonicContact OD1-ND1 3.84Å; D295-H299 PolarHBondContact OD1-ND1 3.42Å; D295-H299 VanDerWaalsContact OD1-ND1 3.15Å; D296-H299 PolarHBondContact O-N 2.97Å; L297-H299 VanDerWaalsContact C-N 3.28Å; L297-H299 PolarHBondContact O-N 2.58Å; H299-R301 HydrophobicContact CB-CG 4.28Å; H299-R301 PolarHBondContact O-N 3.13Å; H299-R301 VanDerWaalsContact O-N 3.15Å
300	K	97.8	Very high	97	Very high	69 Å²	69	66.2 Å²	66.2	30%	0.3	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	35	-177.5	-65.5	-170.9	172.6	-172.7	0	113.5	P91 F92 D165 H169 D296 L297 Y298	P91-K300 HydrophobicContact CB-CG 4.45Å; P91-K300 VanDerWaalsContact O-CE 3.27Å; P91-K300 WeakPolarHBondContact O-CE 3.41Å; P91-K300 PolarHBondContact O-NZ 3.09Å; F92-K300 HydrophobicContact CE1-CD 4.34Å; F92-K300 HydrophobicContact CE1-CG 3.87Å; F92-K300 HydrophobicContact CZ-CG 4.3Å; D165-K300 IonicContact OD2-NZ 3.71Å; D165-K300 PolarHBondContact OD2-NZ 3.25Å; H169-K300 HydrophobicContact CB-CD 4.4Å; D296-K300 PolarHBondContact O-N 2.85Å; L297-K300 PolarHBondContact O-N 3.06Å; Y298-K300 PolarHBondContact O-N 3.38Å
301	R	98.1	Very high	96.7	Very high	141 Å²	141	72.6 Å²	72.6	53%	0.532	36%	0.358	S	S	.	.			trans	-87.1	-14.4	176.6	-72.3	-176.6	-74.8	170.3	-3.9	113.3	D295 D296 H299	D295-R301 PolarHBondContact O-NH2 2.84Å; D295-R301 IonicContact OD1-NH2 2.74Å; D295-R301 IonicContact OD2-CZ 2.71Å; D295-R301 IonicContact OD2-NH2 3.46Å; D295-R301 PolarHBondContact OD2-NH2 3.33Å; D296-R301 HydrophobicContact CB-CB 4.02Å; D296-R301 PolarHBondContact O-N 2.81Å; D296-R301 IonicContact OD1-CZ 3.92Å; D296-R301 IonicContact OD1-NE 3.94Å; D296-R301 PolarHBondContact OD1-NE 3.35Å; D296-R301 IonicContact OD1-NH1 3.18Å; D296-R301 PolarHBondContact OD1-NH1 2.86Å; D296-R301 IonicContact OD1-NH2 3.25Å; D296-R301 PolarHBondContact OD1-NH2 3.24Å; D296-R301 VanDerWaalsContact OD1-NH2 3.14Å; H299-R301 HydrophobicContact CB-CG 4.28Å; H299-R301 PolarHBondContact O-N 3.13Å; H299-R301 VanDerWaalsContact O-N 3.15Å
302	I	98.1	Very high	96.5	Very high	41 Å²	41	69.4 Å²	69.4	21%	0.21	34%	0.342	C	S	.	.	S	Bend	trans	-83.3	123.2	172.2	-55.6	-179.2	0	0	0	108.6	F135 H169 I292 D296 L297 P304	F135-I302 HydrophobicContact CD2-CG2 3.97Å; F135-I302 HydrophobicContact CE2-CB 4.04Å; F135-I302 HydrophobicContact CE2-CG2 3.65Å; H169-I302 PolarHBondContact CE1-O 2.98Å; I292-I302 HydrophobicContact CG2-CD1 4.2Å; D296-I302 HydrophobicContact CB-CD1 4.24Å; D296-I302 HydrophobicContact CB-CG1 3.74Å; L297-I302 HydrophobicContact CB-CD1 3.91Å; L297-I302 HydrophobicContact CD1-CD1 3.98Å; I302-P304 WeakPolarHBondContact O-CD 2.98Å
303	T	97.7	Very high	96.2	Very high	124 Å²	124	72.7 Å²	72.7	76%	0.761	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-64.3	126	176.6	-52.7	0	0	0	0	110.9
304	P	97.8	Very high	96	Very high	22 Å²	22	70.8 Å²	70.8	14%	0.143	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-58.6	142.7	175.4	-28.8	38	0	0	0	112.7	F135 Q167 H169 I302 Y306	F135-P304 HydrophobicContact CE1-CB 4.01Å; F135-P304 HydrophobicContact CE1-CG 4.32Å; F135-P304 HydrophobicContact CZ-CB 4.02Å; F135-P304 HydrophobicContact CZ-CG 3.96Å; Q167-P304 WeakPolarHBondContact O-CB 3.36Å; Q167-P304 WeakPolarHBondContact O-CG 3.34Å; H169-P304 VanDerWaalsContact CE1-CG 3.47Å; H169-P304 WeakPolarHBondContact CE1-CG 3.35Å; H169-P304 WeakPolarHBondContact NE2-CG 3.3Å; I302-P304 WeakPolarHBondContact O-CD 2.98Å; P304-Y306 PolarHBondContact O-N 3.43Å
305	P	96.1	Very high	95.7	Very high	67 Å²	67	70.4 Å²	70.4	44%	0.435	36%	0.36	S	S	.	.	S	Bend	trans	-72.2	-8.7	-179.9	31.3	-37.8	0	0	0	113.3	R132 F135	R132-P305 HydrophobicContact CB-CB 4.17Å; R132-P305 HydrophobicContact CB-CG 4.04Å; R132-P305 HydrophobicContact CG-CB 4.28Å; R132-P305 HydrophobicContact CG-CG 3.77Å; F135-P305 HydrophobicContact CB-CG 4.06Å; F135-P305 HydrophobicContact CD1-CG 3.9Å; F135-P305 HydrophobicContact CG-CG 4.04Å
306	Y	95.1	Very high	95.5	Very high	47 Å²	47	68.4 Å²	68.4	18%	0.184	35%	0.351	C	S	.	.			trans	-143.5	133.2	-178.3	171.4	-97.5	0	0	0	109.2	H121 R132 Y136 L164 G168 P304 P308	H121-Y306 AromaticContact CE1-CE1 3.61Å; H121-Y306 AromaticContact CE1-CZ 3.71Å; H121-Y306 PolarHBondContact CE1-OH 3.46Å; H121-Y306 AromaticContact ND1-CE1 3.79Å; H121-Y306 AromaticContact ND1-CZ 3.65Å; H121-Y306 PolarHBondContact ND1-OH 3.05Å; R132-Y306 VanDerWaalsContact NH2-CG 3.27Å; Y136-Y306 WeakPolarHBondContact OH-CB 3.26Å; L164-Y306 HydrophobicContact CD1-CD1 3.85Å; L164-Y306 HydrophobicContact CD1-CE1 4.11Å; G168-Y306 WeakPolarHBondContact CA-O 3.42Å; P304-Y306 PolarHBondContact O-N 3.43Å; Y306-P308 HydrophobicContact CD1-CG 4.14Å; Y306-P308 VanDerWaalsContact CE1-CA 3.47Å; Y306-P308 HydrophobicContact CE1-CB 3.97Å; Y306-P308 HydrophobicContact CE1-CG 3.78Å
307	N	94.3	Very high	95.2	Very high	93 Å²	93	70.1 Å²	70.1	50%	0.497	36%	0.358	S	S	.	.			trans	-107.5	120.7	171.9	-176.3	-29.6	0	0	0	108.3	N309	N307-N309 PolarHBondContact O-N 3.33Å; N307-N309 VanDerWaalsContact O-N 3.07Å; N307-N309 PolarHBondContact OD1-N 3.09Å
308	P	93.1	Very high	94.9	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.013	36%	0.36	C	S	.	.			trans	-61.9	-13.6	178.3	-23.1	34	0	0	0	114.8	L164 D165 Y306 V310 H318	L164-P308 HydrophobicContact CB-CG 4.26Å; D165-P308 WeakPolarHBondContact O-CG 3.46Å; Y306-P308 HydrophobicContact CD1-CG 4.14Å; Y306-P308 VanDerWaalsContact CE1-CA 3.47Å; Y306-P308 HydrophobicContact CE1-CB 3.97Å; Y306-P308 HydrophobicContact CE1-CG 3.78Å; P308-V310 HydrophobicContact CB-CG1 4.21Å; P308-V310 PolarHBondContact O-N 3.12Å; P308-H318 PolarHBondContact O-CE1 3.03Å; P308-H318 VanDerWaalsContact O-CE1 3.26Å; P308-H318 PolarHBondContact O-NE2 3.23Å
309	N	92.6	Very high	94.5	Very high	127 Å²	127	67.5 Å²	67.5	68%	0.679	35%	0.349	S	S	*	.			trans	57	49.5	178.1	-166.6	28.2	0	0	0	112.5	N307 Q317	N307-N309 PolarHBondContact O-N 3.33Å; N307-N309 VanDerWaalsContact O-N 3.07Å; N307-N309 PolarHBondContact OD1-N 3.09Å; N309-Q317 PolarHBondContact O-NE2 3.3Å
310	V	94.5	Very high	94.1	Very high	32 Å²	32	66.2 Å²	66.2	19%	0.194	35%	0.346	C	S	.	.			trans	-70.8	142.5	177.3	-63.6	0	0	0	0	111.4	N114 P308 G312 D315	N114-V310 WeakPolarHBondContact O-CG1 3.49Å; P308-V310 HydrophobicContact CB-CG1 4.21Å; P308-V310 PolarHBondContact O-N 3.12Å; V310-G312 VanDerWaalsContact C-N 3.33Å; V310-D315 VanDerWaalsContact CA-OD2 3.3Å; V310-D315 WeakPolarHBondContact CA-OD2 3.23Å; V310-D315 HydrophobicContact CB-CB 4.33Å
311	R	92.5	Very high	93.6	Very high	216 Å²	216	65.8 Å²	65.8	82%	0.815	35%	0.35	S	S	*	.	S	Bend	trans	-78.9	-17.4	-178.1	-61	178.8	-175.4	-174.7	1.2	113.4	D315	R311-D315 HydrophobicContact CB-CB 4.47Å; R311-D315 PolarHBondContact N-OD2 2.71Å
312	G	93.2	Very high	93.2	Very high	25 Å²	25	65.9 Å²	65.9	26%	0.258	36%	0.357	S	S	.	.	S	Bend	trans	165.4	-177.8	179.4	0	0	0	0	0	113.3	N114 V310 A314 D315	N114-G312 PolarHBondContact ND2-O 3.01Å; N114-G312 VanDerWaalsContact ND2-O 3.07Å; V310-G312 VanDerWaalsContact C-N 3.33Å; G312-A314 PolarHBondContact O-N 2.92Å; G312-A314 VanDerWaalsContact O-N 3.16Å; G312-D315 VanDerWaalsContact O-CB 3.22Å; G312-D315 WeakPolarHBondContact O-CB 3.14Å; G312-D315 PolarHBondContact O-N 2.88Å; G312-D315 VanDerWaalsContact O-N 3.11Å
313	P	92.6	Very high	92.9	Very high	91 Å²	91	66 Å²	66	59%	0.591	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.8	-173	-24.9	35.5	0	0	0	115.4	F57 Y112	F57-P313 HydrophobicContact CD2-CB 3.69Å; F57-P313 HydrophobicContact CE2-CB 4.03Å; Y112-P313 WeakPolarHBondContact CD1-O 3.45Å; Y112-P313 WeakPolarHBondContact CE1-O 3.34Å
314	A	93.3	Very high	92.6	Very high	40 Å²	40	62.3 Å²	62.3	33%	0.331	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4.2	179.5	0	0	0	0	0	113.3	F57 G312 T316	F57-A314 HydrophobicContact CD1-CB 3.88Å; F57-A314 HydrophobicContact CE1-CB 3.4Å; F57-A314 HydrophobicContact CE2-CB 4.35Å; F57-A314 HydrophobicContact CZ-CB 3.68Å; G312-A314 PolarHBondContact O-N 2.92Å; G312-A314 VanDerWaalsContact O-N 3.16Å; A314-T316 PolarHBondContact O-N 3.19Å
315	D	94	Very high	92.2	Very high	20 Å²	20	71.1 Å²	71.1	11%	0.107	36%	0.363	C	S	.	.			trans	-65.3	134.9	-172.2	-172.3	9.1	0	0	0	111.5	Y112 V310 R311 G312 Q317	Y112-D315 PolarHBondContact OH-O 3Å; V310-D315 VanDerWaalsContact CA-OD2 3.3Å; V310-D315 WeakPolarHBondContact CA-OD2 3.23Å; V310-D315 HydrophobicContact CB-CB 4.33Å; R311-D315 HydrophobicContact CB-CB 4.47Å; R311-D315 PolarHBondContact N-OD2 2.71Å; G312-D315 VanDerWaalsContact O-CB 3.22Å; G312-D315 WeakPolarHBondContact O-CB 3.14Å; G312-D315 PolarHBondContact O-N 2.88Å; G312-D315 VanDerWaalsContact O-N 3.11Å; D315-Q317 WeakPolarHBondContact OD1-CB 3.36Å; D315-Q317 PolarHBondContact OD1-N 3.37Å; D315-Q317 WeakPolarHBondContact OD2-CG 3.33Å; D315-Q317 PolarHBondContact OD2-NE2 3.22Å
316	T	93.2	Very high	92	Very high	41 Å²	41	71.3 Å²	71.3	25%	0.252	36%	0.358	S	S	.	.			trans	-120.3	13.5	-179.4	65	0	0	0	0	112.2	L48 A314 H318 I319	L48-T316 HydrophobicContact CD2-CG2 3.83Å; A314-T316 PolarHBondContact O-N 3.19Å; T316-H318 PolarHBondContact O-N 3.15Å; T316-H318 VanDerWaalsContact O-N 3.16Å; T316-I319 HydrophobicContact CG2-CD1 4.12Å; T316-I319 WeakPolarHBondContact O-CB 3.32Å; T316-I319 PolarHBondContact O-N 2.69Å; T316-I319 VanDerWaalsContact O-N 3.08Å
317	Q	92.6	Very high	91.6	Very high	77 Å²	77	77.1 Å²	77.1	36%	0.36	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24	-173.4	71.9	176.1	-52.7	0	0	114.4	N309 D315	N309-Q317 PolarHBondContact O-NE2 3.3Å; D315-Q317 WeakPolarHBondContact OD1-CB 3.36Å; D315-Q317 PolarHBondContact OD1-N 3.37Å; D315-Q317 WeakPolarHBondContact OD2-CG 3.33Å; D315-Q317 PolarHBondContact OD2-NE2 3.22Å
318	H	91.1	Very high	91.3	Very high	12 Å²	12	74.9 Å²	74.9	6%	0.056	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.1	179.3	-54.9	-58.8	0	0	0	113	F120 P308 T316	F120-H318 HydrophobicContact CE1-CB 4.36Å; F120-H318 AromaticContact CE1-ND1 3.87Å; P308-H318 PolarHBondContact O-CE1 3.03Å; P308-H318 VanDerWaalsContact O-CE1 3.26Å; P308-H318 PolarHBondContact O-NE2 3.23Å; T316-H318 PolarHBondContact O-N 3.15Å; T316-H318 VanDerWaalsContact O-N 3.16Å
319	I	89.6	Confident	90.8	Very high	23 Å²	23	76.6 Å²	76.6	12%	0.118	39%	0.39	C	S	.	.	S	Bend	trans	-104.5	139.5	176.3	-57.1	-179.1	0	0	0	107.9	I38 Y112 T316 P321 F323 T324	I38-I319 HydrophobicContact CB-CD1 3.85Å; I38-I319 HydrophobicContact CB-CG2 4.19Å; I38-I319 HydrophobicContact CG2-CD1 3.51Å; I38-I319 HydrophobicContact CG2-CG2 4.42Å; Y112-I319 HydrophobicContact CE2-CD1 4.08Å; Y112-I319 VanDerWaalsContact OH-CD1 3.3Å; Y112-I319 WeakPolarHBondContact OH-CD1 3.43Å; T316-I319 HydrophobicContact CG2-CD1 4.12Å; T316-I319 WeakPolarHBondContact O-CB 3.32Å; T316-I319 PolarHBondContact O-N 2.69Å; T316-I319 VanDerWaalsContact O-N 3.08Å; I319-P321 WeakPolarHBondContact O-CD 3.27Å; I319-F323 HydrophobicContact CG2-CD2 4.38Å; I319-T324 HydrophobicContact CB-CG2 3.96Å; I319-T324 HydrophobicContact CG2-CG2 3.78Å
320	D	88.6	Confident	90.2	Very high	81 Å²	81	74.4 Å²	74.4	43%	0.433	39%	0.385	S	S	.	.			trans	-53.2	125.7	-178.5	-163.6	-47.1	0	0	0	111.1	E322 F323 T324	D320-E322 PolarHBondContact O-N 3.36Å; D320-E322 VanDerWaalsContact O-N 3.13Å; D320-E322 WeakPolarHBondContact OD1-CB 3.35Å; D320-E322 PolarHBondContact OD1-N 3.02Å; D320-F323 HydrophobicContact CB-CD2 3.66Å; D320-F323 HydrophobicContact CB-CE2 3.75Å; D320-F323 PolarHBondContact O-N 3.3Å; D320-T324 PolarHBondContact O-N 3.05Å
321	P	87.9	Confident	89.6	Confident	60 Å²	60	75.2 Å²	75.2	39%	0.39	39%	0.392	S	S	.	.	H	α-helix	trans	-54.2	-25.2	174.8	-27.8	36.1	0	0	0	114.9	I319 F323 T324 R325	I319-P321 WeakPolarHBondContact O-CD 3.27Å; P321-F323 PolarHBondContact O-N 3.49Å; P321-T324 WeakPolarHBondContact CA-OG1 3.43Å; P321-R325 VanDerWaalsContact O-CB 3.3Å; P321-R325 WeakPolarHBondContact O-CB 3.35Å; P321-R325 WeakPolarHBondContact O-CD 3.44Å; P321-R325 WeakPolarHBondContact O-CG 3.17Å; P321-R325 PolarHBondContact O-N 2.84Å; P321-R325 VanDerWaalsContact O-N 3.17Å
322	E	90.2	Very high	88.8	Confident	143 Å²	143	65.2 Å²	65.2	67%	0.668	36%	0.355	S	S	*	.	H	α-helix	trans	-56.4	-39.2	173.2	-173.8	-179.3	165.7	0	0	111.3	D320	D320-E322 PolarHBondContact O-N 3.36Å; D320-E322 VanDerWaalsContact O-N 3.13Å; D320-E322 WeakPolarHBondContact OD1-CB 3.35Å; D320-E322 PolarHBondContact OD1-N 3.02Å
323	F	90.9	Very high	87.8	Confident	44 Å²	44	66.7 Å²	66.7	19%	0.193	36%	0.361	C	S	.	.	H	α-helix	trans	-81	-49	179.3	-53.6	-49.6	0	0	0	112	V37 K40 I319 D320 P321 R325 E326	V37-F323 HydrophobicContact CG1-CB 4.47Å; V37-F323 CarbonylContact O-C 3.59Å; K40-F323 HydrophobicContact CB-CD1 4.44Å; K40-F323 HydrophobicContact CB-CE1 4.09Å; I319-F323 HydrophobicContact CG2-CD2 4.38Å; D320-F323 HydrophobicContact CB-CD2 3.66Å; D320-F323 HydrophobicContact CB-CE2 3.75Å; D320-F323 PolarHBondContact O-N 3.3Å; P321-F323 PolarHBondContact O-N 3.49Å; F323-R325 PolarHBondContact O-N 3.5Å; F323-E326 VanDerWaalsContact O-CB 3.29Å; F323-E326 WeakPolarHBondContact O-CB 3.45Å; F323-E326 PolarHBondContact O-N 3.03Å
324	T	90.7	Very high	86.7	Confident	45 Å²	45	69.6 Å²	69.6	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-68.3	-20.9	-172.2	58.1	0	0	0	0	113.5	V37 I319 D320 P321	V37-T324 PolarHBondContact O-N 3.11Å; I319-T324 HydrophobicContact CB-CG2 3.96Å; I319-T324 HydrophobicContact CG2-CG2 3.78Å; D320-T324 PolarHBondContact O-N 3.05Å; P321-T324 WeakPolarHBondContact CA-OG1 3.43Å
325	R	90.4	Very high	85	Confident	207 Å²	207	71.1 Å²	71.1	78%	0.781	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.1	172.6	-68.2	172.7	-177.7	172.6	2.2	113.4	P321 F323	P321-R325 VanDerWaalsContact O-CB 3.3Å; P321-R325 WeakPolarHBondContact O-CB 3.35Å; P321-R325 WeakPolarHBondContact O-CD 3.44Å; P321-R325 WeakPolarHBondContact O-CG 3.17Å; P321-R325 PolarHBondContact O-N 2.84Å; P321-R325 VanDerWaalsContact O-N 3.17Å; F323-R325 PolarHBondContact O-N 3.5Å
326	E	90.8	Very high	83.2	Confident	71 Å²	71	72.5 Å²	72.5	33%	0.332	38%	0.376	S	S	.	.	S	Bend	trans	-73.5	133	178.5	-166.5	178.9	-165	0	0	110.8	V37 K45 F323 V328	V37-E326 HydrophobicContact CB-CB 4.29Å; V37-E326 HydrophobicContact CG2-CB 4.3Å; K45-E326 WeakPolarHBondContact CE-OE2 3.47Å; K45-E326 IonicContact NZ-OE1 3.64Å; K45-E326 PolarHBondContact NZ-OE1 3.03Å; K45-E326 IonicContact NZ-OE2 2.66Å; K45-E326 PolarHBondContact NZ-OE2 3.49Å; F323-E326 VanDerWaalsContact O-CB 3.29Å; F323-E326 WeakPolarHBondContact O-CB 3.45Å; F323-E326 PolarHBondContact O-N 3.03Å; E326-V328 PolarHBondContact O-N 3.47Å
327	M	88.3	Confident	81	Confident	169 Å²	169	79 Å²	79	83%	0.833	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-65	134.5	175.3	-70.7	-170.7	-72.3	0	0	111.3	P329	M327-P329 VanDerWaalsContact O-CD 3.3Å; M327-P329 WeakPolarHBondContact O-CD 3.36Å
328	V	88.3	Confident	78.7	Confident	47 Å²	47	85.3 Å²	85.3	29%	0.285	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-59.8	119.4	171.4	175	0	0	0	0	109.3	F34 L47 E326 S330	F34-V328 HydrophobicContact CB-CG1 3.69Å; L47-V328 HydrophobicContact CD2-CG1 3.8Å; L47-V328 HydrophobicContact CD2-CG2 4.42Å; E326-V328 PolarHBondContact O-N 3.47Å; V328-S330 PolarHBondContact O-N 2.92Å
329	P	82.7	Confident	76.5	Confident	37 Å²	37	92.6 Å²	92.6	24%	0.24	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-67.5	128.1	-176.6	-19.4	31.1	0	0	0	111.7	K45 M327 S331 V332	K45-P329 HydrophobicContact CD-CG 4.25Å; M327-P329 VanDerWaalsContact O-CD 3.3Å; M327-P329 WeakPolarHBondContact O-CD 3.36Å; P329-S331 PolarHBondContact O-N 3.37Å; P329-V332 HydrophobicContact CB-CG2 4.18Å; P329-V332 HydrophobicContact CG-CG2 4.36Å; P329-V332 WeakPolarHBondContact O-CB 3.49Å; P329-V332 WeakPolarHBondContact O-CG2 3.24Å; P329-V332 PolarHBondContact O-N 3.09Å
330	S	80	Confident	74.4	Confident	82 Å²	82	93.4 Å²	93.4	57%	0.573	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-17.1	177.7	65.4	0	0	0	0	114.2	V328 V332 R334	V328-S330 PolarHBondContact O-N 2.92Å; S330-V332 VanDerWaalsContact C-N 3.27Å; S330-V332 PolarHBondContact O-N 3.15Å; S330-R334 PolarHBondContact O-NE 3.19Å; S330-R334 PolarHBondContact OG-NH2 2.84Å
331	S	80.4	Confident	72.4	Confident	49 Å²	49	93.1 Å²	93.1	34%	0.343	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.9	175.5	70.8	0	0	0	0	112.8	K105 P329 S333 R334	K105-S331 PolarHBondContact NZ-O 3.33Å; K105-S331 PolarHBondContact NZ-OG 3.25Å; P329-S331 PolarHBondContact O-N 3.37Å; S331-S333 VanDerWaalsContact C-N 3.33Å; S331-S333 PolarHBondContact O-N 2.91Å; S331-R334 PolarHBondContact O-N 3.12Å
332	V	76.4	Confident	70.7	Confident	6 Å²	6	95.8 Å²	95.8	4%	0.036	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-37.7	-177.9	177.9	0	0	0	0	111.1	P29 F34 L47 V62 Y107 P329 S330 R334	P29-V332 WeakPolarHBondContact CB-O 3.19Å; F34-V332 HydrophobicContact CD1-CG1 3.72Å; F34-V332 HydrophobicContact CD2-CG1 3.88Å; F34-V332 HydrophobicContact CE1-CG1 3.49Å; F34-V332 VanDerWaalsContact CE1-CG1 3.49Å; F34-V332 HydrophobicContact CE2-CG1 3.66Å; F34-V332 HydrophobicContact CG-CG1 3.91Å; F34-V332 HydrophobicContact CZ-CG1 3.47Å; F34-V332 VanDerWaalsContact CZ-CG1 3.47Å; L47-V332 HydrophobicContact CD1-CG1 4.33Å; L47-V332 HydrophobicContact CD1-CG2 4.35Å; L47-V332 HydrophobicContact CD2-CG1 4.43Å; L47-V332 HydrophobicContact CD2-CG2 4.17Å; V62-V332 HydrophobicContact CG2-CG1 4.11Å; Y107-V332 HydrophobicContact CE1-CG1 4.39Å; Y107-V332 PolarHBondContact OH-O 3.12Å; Y107-V332 VanDerWaalsContact OH-O 3.12Å; P329-V332 HydrophobicContact CB-CG2 4.18Å; P329-V332 HydrophobicContact CG-CG2 4.36Å; P329-V332 WeakPolarHBondContact O-CB 3.49Å; P329-V332 WeakPolarHBondContact O-CG2 3.24Å; P329-V332 PolarHBondContact O-N 3.09Å; S330-V332 VanDerWaalsContact C-N 3.27Å; S330-V332 PolarHBondContact O-N 3.15Å; V332-R334 VanDerWaalsContact C-N 3.34Å
333	S	71.2	Confident	68.8	Low	55 Å²	55	92.7 Å²	92.7	39%	0.385	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.6	178.4	-49.1	0	0	0	0	114.2	S331	S331-S333 VanDerWaalsContact C-N 3.33Å; S331-S333 PolarHBondContact O-N 2.91Å
334	R	69.5	Low	67.1	Low	152 Å²	152	91.6 Å²	91.6	57%	0.574	49%	0.492	S	S	*	.			trans	-83.6	127.2	-177.4	-71.2	-174	-128.5	-176	1.8	111.3	S330 S331 V332	S330-R334 PolarHBondContact O-NE 3.19Å; S330-R334 PolarHBondContact OG-NH2 2.84Å; S331-R334 PolarHBondContact O-N 3.12Å; V332-R334 VanDerWaalsContact C-N 3.34Å
335	T	59.3	Low	65.6	Low	73 Å²	73	92.3 Å²	92.3	45%	0.448	49%	0.494	S	S	.	.			trans	-95.4	105.6	155.5	44.2	0	0	0	0	107.5	P29 T102 E337	P29-T335 HydrophobicContact CG-CG2 4.32Å; T102-T335 HydrophobicContact CG2-CG2 4.14Å; T335-E337 PolarHBondContact O-N 2.94Å
336	P	54.7	Low	64.4	Low	49 Å²	49	86 Å²	86	32%	0.318	48%	0.476	S	S	.	.			trans	-59.4	131.7	173.5	-14.5	26.3	0	0	0	109.1	E104 F338	E104-P336 HydrophobicContact CG-CG 4.07Å; P336-F338 PolarHBondContact O-N 3.21Å
337	E	47.1	Very low	63.6	Low	178 Å²	178	82.8 Å²	82.8	83%	0.832	46%	0.462	S	S	*	.			trans	-61.4	133.6	168.9	-70.1	-178.7	166.4	0	0	109.1	T335 N339	T335-E337 PolarHBondContact O-N 2.94Å; E337-N339 PolarHBondContact O-N 3.32Å
338	F	45.7	Very low	63.3	Low	208 Å²	208	74.8 Å²	74.8	91%	0.912	42%	0.422	S	S	*	.	S	Bend	trans	-18.1	92	179.1	-90.6	-98.7	0	0	0	115.3	P336	P336-F338 PolarHBondContact O-N 3.21Å
339	N	43.8	Very low	63	Low	165 Å²	165	75 Å²	75	88%	0.882	42%	0.422	S	S	*	.			trans	-156.2	23.4	167.8	-89.3	-32.7	0	0	0	113.4	E337	E337-N339 PolarHBondContact O-N 3.32Å
340	A	45.7	Very low	62.9	Low	40 Å²	40	73.4 Å²	73.4	33%	0.331	41%	0.412	S	S	.	.	S	Bend	trans	-90.1	137.7	168.6	0	0	0	0	0	110.5	A103 T342	A103-A340 HydrophobicContact CB-CB 3.7Å; A340-T342 PolarHBondContact O-N 3.26Å
341	S	46.9	Very low	63.2	Low	76 Å²	76	69.5 Å²	69.5	53%	0.531	38%	0.384	S	S	.	.			trans	-55.7	132.4	174.9	54.8	0	0	0	0	110.7	S343 A344	S341-S343 PolarHBondContact O-N 2.91Å; S341-S343 PolarHBondContact OG-OG 3.43Å; S341-A344 PolarHBondContact O-N 2.99Å
342	T	51.5	Low	63.3	Low	116 Å²	116	67.6 Å²	67.6	71%	0.712	37%	0.371	S	S	*	.	H	α-helix	trans	-47.9	-29.4	-179.6	25.6	0	0	0	0	114	A340 N345 N346	A340-T342 PolarHBondContact O-N 3.26Å; T342-N345 PolarHBondContact O-N 3.36Å; T342-N346 PolarHBondContact O-N 3.18Å
343	S	51.8	Low	63.4	Low	78 Å²	78	69.3 Å²	69.3	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-38.8	176.2	53.2	0	0	0	0	114.8	S341 N345 A347	S341-S343 PolarHBondContact O-N 2.91Å; S341-S343 PolarHBondContact OG-OG 3.43Å; S343-N345 VanDerWaalsContact C-N 3.34Å; S343-A347 PolarHBondContact O-N 3.07Å
344	A	55.1	Low	63.5	Low	20 Å²	20	68.3 Å²	68.3	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-77.8	-21.9	-178.3	0	0	0	0	0	112.9	L69 S341	L69-A344 HydrophobicContact CD1-CB 4.48Å; S341-A344 PolarHBondContact O-N 2.99Å
345	N	58.6	Low	63.1	Low	61 Å²	61	61.7 Å²	61.7	33%	0.326	35%	0.349	S	S	.	.	H	α-helix	trans	-77.7	-37.2	173.1	-84.3	-11.7	0	0	0	111.8	T342 S343	T342-N345 PolarHBondContact O-N 3.36Å; S343-N345 VanDerWaalsContact C-N 3.34Å
346	N	65.4	Low	63.1	Low	74 Å²	74	61.9 Å²	61.9	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-72.7	-27.3	179.7	-71.7	-5.6	0	0	0	113.7	T342 F348 N349	T342-N346 PolarHBondContact O-N 3.18Å; N346-F348 PolarHBondContact O-N 3.37Å; N346-N349 WeakPolarHBondContact O-CB 3.32Å; N346-N349 VanDerWaalsContact O-CG 3.24Å; N346-N349 PolarHBondContact O-N 3.27Å; N346-N349 PolarHBondContact O-ND2 3.12Å
347	A	73.6	Confident	63	Low	4 Å²	4	66.5 Å²	66.5	3%	0.033	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20	-178.8	0	0	0	0	0	114.3	D16 L69 Q74 S343	D16-A347 WeakPolarHBondContact OD1-CA 3.24Å; L69-A347 HydrophobicContact CD2-CB 4.13Å; Q74-A347 PolarHBondContact NE2-O 2.68Å; S343-A347 PolarHBondContact O-N 3.07Å
348	F	81.9	Confident	62.6	Low	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	35.2	-179.8	-59.4	-83.1	0	0	0	111.6	K65 I68 L69 Q74 M78 Q101 L106 N346 G350 F351	K65-F348 HydrophobicContact CB-CE2 4.03Å; K65-F348 HydrophobicContact CD-CD2 3.91Å; K65-F348 HydrophobicContact CD-CE2 4.04Å; K65-F348 HydrophobicContact CG-CD2 4.03Å; K65-F348 HydrophobicContact CG-CE2 3.73Å; K65-F348 HydrophobicContact CG-CZ 4.42Å; I68-F348 HydrophobicContact CB-CZ 4.27Å; I68-F348 HydrophobicContact CD1-CZ 4.4Å; I68-F348 HydrophobicContact CG2-CE1 4.1Å; I68-F348 HydrophobicContact CG2-CZ 3.87Å; L69-F348 HydrophobicContact CD1-CE2 4.46Å; L69-F348 HydrophobicContact CD2-CE2 4.14Å; L69-F348 HydrophobicContact CD2-CZ 4.17Å; L69-F348 HydrophobicContact CG-CE2 4.22Å; L69-F348 HydrophobicContact CG-CZ 4.34Å; Q74-F348 HydrophobicContact CB-CE1 4.12Å; Q74-F348 HydrophobicContact CB-CZ 4.36Å; Q74-F348 HydrophobicContact CG-CD1 4.17Å; Q74-F348 HydrophobicContact CG-CE1 3.74Å; Q74-F348 HydrophobicContact CG-CZ 4.19Å; M78-F348 HydrophobicContact SD-CD1 4.17Å; Q101-F348 PolarHBondContact NE2-O 2.99Å; L106-F348 HydrophobicContact CD1-CD1 3.65Å; L106-F348 HydrophobicContact CD1-CE1 3.69Å; L106-F348 HydrophobicContact CD1-CG 4.19Å; L106-F348 HydrophobicContact CD1-CZ 4.27Å; L106-F348 HydrophobicContact CD2-CB 4.1Å; L106-F348 HydrophobicContact CD2-CD1 4.29Å; L106-F348 HydrophobicContact CD2-CD2 4.45Å; L106-F348 HydrophobicContact CD2-CG 4.03Å; N346-F348 PolarHBondContact O-N 3.37Å; F348-G350 PolarHBondContact O-N 3.47Å; F348-F351 HydrophobicContact CB-CB 4.29Å; F348-F351 VanDerWaalsContact O-CB 3.24Å; F348-F351 WeakPolarHBondContact O-CB 3.29Å; F348-F351 PolarHBondContact O-N 2.96Å; F348-F351 VanDerWaalsContact O-N 3.15Å
349	N	81.6	Confident	62.3	Low	53 Å²	53	59 Å²	59	28%	0.283	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	132.7	176.9	-84.5	-24.4	0	0	0	111.5	N18 L19 M78 N346 F351	N18-N349 HydrophobicContact CB-CB 4.33Å; L19-N349 PolarHBondContact N-O 3.35Å; M78-N349 VanDerWaalsContact CE-O 3.24Å; M78-N349 WeakPolarHBondContact CE-O 3.47Å; N346-N349 WeakPolarHBondContact O-CB 3.32Å; N346-N349 VanDerWaalsContact O-CG 3.24Å; N346-N349 PolarHBondContact O-N 3.27Å; N346-N349 PolarHBondContact O-ND2 3.12Å; N349-F351 VanDerWaalsContact C-N 3.34Å
350	G	81.8	Confident	62.5	Low	2 Å²	2	54.7 Å²	54.7	2%	0.021	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	11.5	-175.8	0	0	0	0	0	115	G20 R81 F348	G20-G350 WeakPolarHBondContact O-CA 3.33Å; G20-G350 PolarHBondContact O-N 3.19Å; R81-G350 PolarHBondContact NH1-O 3.35Å; R81-G350 PolarHBondContact NH2-O 3.48Å; F348-G350 PolarHBondContact O-N 3.47Å
351	F	84.7	Confident	61.7	Low	0 Å²	0	64.2 Å²	64.2	0%	0	37%	0.366	C	S	.	.			trans	-68.9	-26.8	173	-175.7	-91.5	0	0	0	113.6	I77 M78 R81 S99 F100 Q101 L106 Y107 F108 F348 N349	I77-F351 HydrophobicContact CG2-CE2 4.16Å; M78-F351 HydrophobicContact CE-CB 4.45Å; M78-F351 HydrophobicContact SD-CB 4.19Å; M78-F351 HydrophobicContact SD-CD2 3.8Å; R81-F351 HydrophobicContact CB-CE2 4.4Å; R81-F351 WeakPolarHBondContact CD-O 3.5Å; R81-F351 PolarHBondContact NE-O 3.47Å; S99-F351 WeakPolarHBondContact CB-O 3.27Å; S99-F351 PolarHBondContact OG-O 3.21Å; F100-F351 VanDerWaalsContact O-CE1 3.27Å; F100-F351 WeakPolarHBondContact O-CE1 3.35Å; Q101-F351 HydrophobicContact CB-CD1 4.23Å; L106-F351 HydrophobicContact CB-CE1 3.91Å; L106-F351 HydrophobicContact CB-CE2 4.33Å; L106-F351 HydrophobicContact CB-CZ 3.78Å; L106-F351 HydrophobicContact CD1-CD2 4.3Å; L106-F351 HydrophobicContact CD1-CE2 4.05Å; L106-F351 HydrophobicContact CD1-CZ 4.34Å; L106-F351 HydrophobicContact CD2-CD1 3.92Å; L106-F351 HydrophobicContact CD2-CD2 4.35Å; L106-F351 HydrophobicContact CD2-CE1 4.12Å; L106-F351 HydrophobicContact CD2-CG 4.07Å; L106-F351 HydrophobicContact CD2-CZ 4.42Å; L106-F351 HydrophobicContact CG-CE1 4.49Å; L106-F351 HydrophobicContact CG-CZ 4.41Å; Y107-F351 WeakPolarHBondContact O-CE1 2.96Å; F108-F351 HydrophobicContact CD1-CZ 4.22Å; F108-F351 AromaticContact CD2-CZ 4Å; F108-F351 HydrophobicContact CD2-CZ 4Å; F108-F351 AromaticContact CE1-CE2 3.88Å; F108-F351 HydrophobicContact CE1-CE2 3.88Å; F108-F351 AromaticContact CE1-CZ 3.86Å; F108-F351 HydrophobicContact CE1-CZ 3.86Å; F108-F351 AromaticContact CE2-CE2 3.82Å; F108-F351 HydrophobicContact CE2-CE2 3.82Å; F108-F351 AromaticContact CE2-CZ 3.61Å; F108-F351 HydrophobicContact CE2-CZ 3.61Å; F108-F351 HydrophobicContact CG-CZ 4.3Å; F108-F351 AromaticContact CZ-CE2 3.4Å; F108-F351 HydrophobicContact CZ-CE2 3.4Å; F108-F351 VanDerWaalsContact CZ-CE2 3.4Å; F108-F351 AromaticContact CZ-CZ 3.56Å; F108-F351 HydrophobicContact CZ-CZ 3.56Å; F348-F351 HydrophobicContact CB-CB 4.29Å; F348-F351 VanDerWaalsContact O-CB 3.24Å; F348-F351 WeakPolarHBondContact O-CB 3.29Å; F348-F351 PolarHBondContact O-N 2.96Å; F348-F351 VanDerWaalsContact O-N 3.15Å; N349-F351 VanDerWaalsContact C-N 3.34Å
352	S	82.6	Confident	62.4	Low	9 Å²	9	63.6 Å²	63.6	6%	0.063	36%	0.358	C	S	.	.			trans	-80.2	133.5	-173.6	-52.7	0	0	0	0	112.9	A23 R81 S99	A23-S352 PolarHBondContact N-O 2.98Å; R81-S352 PolarHBondContact NH2-O 3.42Å; S99-S352 CarbonylContact O-C 3.4Å; S99-S352 WeakPolarHBondContact O-CA 3.35Å
353	F	79.9	Confident	63	Low	42 Å²	42	60.8 Å²	60.8	18%	0.184	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.9	-177.7	175.9	-101.9	0	0	0	112.5	L85 L88 Y98 S99	L85-F353 HydrophobicContact CD1-CD2 4.46Å; L85-F353 HydrophobicContact CD2-CB 4.15Å; L85-F353 HydrophobicContact CD2-CD1 3.23Å; L85-F353 HydrophobicContact CD2-CD2 3.55Å; L85-F353 HydrophobicContact CD2-CE1 3.28Å; L85-F353 HydrophobicContact CD2-CE2 3.62Å; L85-F353 HydrophobicContact CD2-CG 3.36Å; L85-F353 HydrophobicContact CD2-CZ 3.48Å; L85-F353 VanDerWaalsContact CD2-CZ 3.48Å; L88-F353 HydrophobicContact CD1-CE1 4.49Å; L88-F353 HydrophobicContact CD1-CZ 4.32Å; Y98-F353 WeakPolarHBondContact CA-O 3.29Å; S99-F353 PolarHBondContact N-O 3.19Å; S99-F353 PolarHBondContact O-N 3.02Å; S99-F353 WeakPolarHBondContact OG-CB 3.34Å; S99-F353 PolarHBondContact OG-N 3.13Å
354	V	72.1	Confident	63.6	Low	34 Å²	34	59.9 Å²	59.9	21%	0.206	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.8	165.3	166.1	0	0	0	0	108.9	N24 Y98 T356	N24-V354 HydrophobicContact CB-CB 4.15Å; N24-V354 HydrophobicContact CB-CG2 3.14Å; N24-V354 VanDerWaalsContact CG-CG2 3.45Å; N24-V354 WeakPolarHBondContact ND2-CG2 3.48Å; Y98-V354 HydrophobicContact CD1-CB 4.28Å; Y98-V354 HydrophobicContact CD1-CG1 4.3Å; Y98-V354 HydrophobicContact CD1-CG2 3.75Å; Y98-V354 HydrophobicContact CE1-CB 4.49Å; Y98-V354 HydrophobicContact CE1-CG1 4.02Å; Y98-V354 HydrophobicContact CE1-CG2 4.07Å; V354-T356 HydrophobicContact CG1-CG2 4.48Å
355	G	61.4	Low	64.2	Low	13 Å²	13	62.2 Å²	62.2	13%	0.134	34%	0.337	C	S	.	.			trans	-76.1	119.1	163.6	0	0	0	0	0	109.7	H97	H97-G355 PolarHBondContact O-N 3.41Å
356	T	58.7	Low	64.5	Low	77 Å²	77	62.3 Å²	62.3	47%	0.472	34%	0.338	S	S	.	.			trans	-88.4	124.2	175.4	38.7	0	0	0	0	110.5	V354 D358 S359 F360	V354-T356 HydrophobicContact CG1-CG2 4.48Å; T356-D358 PolarHBondContact O-N 3.18Å; T356-S359 PolarHBondContact O-N 3.42Å; T356-S359 VanDerWaalsContact O-N 3.09Å; T356-S359 PolarHBondContact O-OG 3.34Å; T356-S359 PolarHBondContact OG1-OG 2.96Å; T356-F360 WeakPolarHBondContact O-CD2 3.03Å; T356-F360 WeakPolarHBondContact O-CE2 3.45Å
357	E	52.7	Low	64.4	Low	146 Å²	146	61.5 Å²	61.5	68%	0.682	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-18.5	178.2	-72.6	-172.2	162.7	0	0	114.1	K56 F360	K56-E357 IonicContact NZ-OE1 3.96Å; K56-E357 PolarHBondContact NZ-OE1 2.88Å; E357-F360 WeakPolarHBondContact O-CB 3.29Å; E357-F360 WeakPolarHBondContact O-CD2 3.47Å
358	D	40.3	Very low	63.8	Low	154 Å²	154	65.6 Å²	65.6	82%	0.824	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	1	179.2	-68.1	-38.5	0	0	0	116.2	T356 F360	T356-D358 PolarHBondContact O-N 3.18Å; D358-F360 PolarHBondContact O-N 3.35Å
359	S	39.3	Very low	62.4	Low	75 Å²	75	70.7 Å²	70.7	52%	0.524	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	11.3	169.7	-45.9	0	0	0	0	113.2	T356	T356-S359 PolarHBondContact O-N 3.42Å; T356-S359 VanDerWaalsContact O-N 3.09Å; T356-S359 PolarHBondContact O-OG 3.34Å; T356-S359 PolarHBondContact OG1-OG 2.96Å
360	F	47.2	Very low	60.8	Low	75 Å²	75	72.2 Å²	72.2	33%	0.329	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	22.5	-153.2	-61.8	-78.6	0	0	0	113.9	R95 T356 E357 D358	R95-F360 VanDerWaalsContact CZ-CZ 3.43Å; R95-F360 VanDerWaalsContact NH1-CZ 3.28Å; T356-F360 WeakPolarHBondContact O-CD2 3.03Å; T356-F360 WeakPolarHBondContact O-CE2 3.45Å; E357-F360 WeakPolarHBondContact O-CB 3.29Å; E357-F360 WeakPolarHBondContact O-CD2 3.47Å; D358-F360 PolarHBondContact O-N 3.35Å
361	L	28.8	Very low	58.9	Low	239 Å²	239	78.5 Å²	78.5	100%	1.251	43%	0.425	S	S	*	.			trans	-105	0	160.2	-77.3	173.4	0	0	0	110.9

Retrieved 361 of 361 residues in 165 ms (Link to these results)

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