A0A096NQB4_PAPAN Loading...

Beta-galactosidase

Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans.

AlphaFold DB (A0A096N9M8), UniProt , Accession A0A096NQB4, Species PAPAN (Papio anubis, Olive baboon), Gene GLB1, Length 682 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	43.1	Very low	40.8	Very low	241 Å²	241	155.9 Å²	155.9	100%	1.187	82%	0.824	S	S	*	*				0	150.1	0	-61.4	-177.9	-177.2	0	0	108.4
2	P	54.7	Low	40.4	Very low	131 Å²	131	156.1 Å²	156.1	85%	0.851	82%	0.824	S	S	*	*			cis	-102.7	-164.9	-24.5	41.8	-30.6	0	0	0	109.5
3	G	36.4	Very low	40.3	Very low	61 Å²	61	157.2 Å²	157.2	63%	0.629	83%	0.83	S	S	*	*			cis	114.8	121.4	-13.7	0	0	0	0	0	115.9
4	F	38.4	Very low	40.1	Very low	198 Å²	198	153.3 Å²	153.3	87%	0.868	83%	0.831	S	S	*	*			cis	-151	151.6	-26	-132	-82.6	0	0	0	108.8
5	L	37.7	Very low	40	Very low	151 Å²	151	153.3 Å²	153.3	79%	0.791	83%	0.829	S	S	*	*			trans	-10.9	136.1	-173.5	-90.7	68.6	0	0	0	123.7
6	V	40.8	Very low	39.9	Very low	125 Å²	125	153.4 Å²	153.4	76%	0.758	83%	0.827	S	S	*	*			trans	-113.8	143.5	147.9	169.5	0	0	0	0	108.3
7	R	38.3	Very low	39.8	Very low	251 Å²	251	154.6 Å²	154.6	95%	0.947	83%	0.833	S	S	*	*			trans	-164.9	158.7	148.1	-111.4	165.7	-163.4	-143.1	2.4	114.5
8	I	38.8	Very low	40.2	Very low	148 Å²	148	154.9 Å²	154.9	76%	0.759	83%	0.833	S	S	*	*			trans	-108.6	156.2	-167.2	-71.9	164.2	0	0	0	109.9
9	L	36	Very low	40	Very low	149 Å²	149	149.8 Å²	149.8	78%	0.78	82%	0.821	S	S	*	*			trans	7.4	153.7	159.6	-101.4	71.7	0	0	0	120.2
10	P	45.3	Very low	39.9	Very low	104 Å²	104	147.7 Å²	147.7	68%	0.675	82%	0.815	S	S	*	*			cis	-151.9	-176.1	43.7	40.8	-18.1	0	0	0	118.7
11	L	39.4	Very low	40	Very low	156 Å²	156	147.6 Å²	147.6	82%	0.817	82%	0.818	S	S	*	*			trans	7.5	110.6	152.3	-80.5	65.1	0	0	0	117.9
12	L	36.3	Very low	39.7	Very low	158 Å²	158	147.2 Å²	147.2	83%	0.827	80%	0.804	S	S	*	*			trans	-161.3	22	156.8	-119.4	160.3	0	0	0	116.4
13	L	39.2	Very low	38.9	Very low	171 Å²	171	143.4 Å²	143.4	90%	0.895	79%	0.789	S	S	*	*	S	Bend	trans	-122.8	19	-171.9	-135.3	79.9	0	0	0	116.4
14	A	37.7	Very low	39	Very low	102 Å²	102	148.9 Å²	148.9	84%	0.843	80%	0.802	S	S	*	*	S	Bend	trans	-129.1	21.8	-176	0	0	0	0	0	114.6
15	L	37.6	Very low	39.2	Very low	154 Å²	154	150.4 Å²	150.4	81%	0.806	80%	0.802	S	S	*	*	S	Bend	trans	-136.4	14.7	-174.9	-113.4	159.8	0	0	0	114.7
16	L	38.2	Very low	39.3	Very low	154 Å²	154	150.3 Å²	150.3	81%	0.806	80%	0.802	S	S	*	*			trans	-101.3	11.4	-177.9	-91.2	160	0	0	0	114.9
17	L	39.1	Very low	39.5	Very low	175 Å²	175	148.8 Å²	148.8	92%	0.916	80%	0.803	S	S	*	*	S	Bend	trans	-97.1	9.8	175.7	-77.3	169.2	0	0	0	114.3
18	L	46.9	Very low	40.6	Very low	159 Å²	159	142.5 Å²	142.5	83%	0.832	79%	0.793	S	S	*	*			trans	-121.3	57.4	172.6	-76.9	164.9	0	0	0	110.6
19	G	35.5	Very low	42.8	Very low	59 Å²	59	143.8 Å²	143.8	61%	0.608	79%	0.788	S	S	*	*			trans	-65.3	140	160.7	0	0	0	0	0	109.6	T21	G19-T21 PolarHBondContact O-N 3.33Å
20	P	38.8	Very low	45.7	Very low	107 Å²	107	139.7 Å²	139.7	70%	0.695	76%	0.763	S	S	*	*			trans	-64.4	131.7	-179.5	27.2	-33.9	0	0	0	109.6	R22	P20-R22 HydrophobicContact CB-CG 4.38Å; P20-R22 HydrophobicContact CG-CG 4.28Å; P20-R22 PolarHBondContact O-N 2.83Å
21	T	41.8	Very low	48.2	Very low	146 Å²	146	137.1 Å²	137.1	90%	0.896	75%	0.745	S	S	*	*			trans	-66.5	71.5	164.7	50.1	0	0	0	0	109.3	G19 G23	G19-T21 PolarHBondContact O-N 3.33Å; T21-G23 PolarHBondContact O-N 3Å
22	R	37.8	Very low	51	Low	232 Å²	232	130 Å²	130	88%	0.875	71%	0.707	S	S	*	*			trans	-68.7	83.9	171.4	-86.6	-172.9	168.5	-176.1	-2.3	108.1	P20	P20-R22 HydrophobicContact CB-CG 4.38Å; P20-R22 HydrophobicContact CG-CG 4.28Å; P20-R22 PolarHBondContact O-N 2.83Å
23	G	37.2	Very low	54	Low	52 Å²	52	126.7 Å²	126.7	54%	0.536	69%	0.688	S	S	.	*			trans	40.9	107.5	167.5	0	0	0	0	0	115.4	T21 R25	T21-G23 PolarHBondContact O-N 3Å; G23-R25 PolarHBondContact O-N 3.45Å
24	L	38.5	Very low	56.8	Low	175 Å²	175	119.6 Å²	119.6	92%	0.916	65%	0.65	S	S	*	*				-51	97.1	124	-80	120.2	0	0	0	106	N26	L24-N26 VanDerWaalsContact C-N 3.33Å; L24-N26 PolarHBondContact O-N 2.64Å
25	R	41.7	Very low	59.7	Low	231 Å²	231	115.2 Å²	115.2	87%	0.872	61%	0.614	S	S	*	*			trans	-56.2	112.5	155.5	-79.3	-176.4	172.2	-175.6	-2.7	103.1	G23 A27	G23-R25 PolarHBondContact O-N 3.45Å; R25-A27 PolarHBondContact O-N 2.9Å
26	N	39.4	Very low	62.5	Low	148 Å²	148	113.4 Å²	113.4	79%	0.791	60%	0.598	S	S	*	*			trans	-49.2	106.6	154.7	-87.5	-12.5	0	0	0	104.4	L24 T28	L24-N26 VanDerWaalsContact C-N 3.33Å; L24-N26 PolarHBondContact O-N 2.64Å; N26-T28 PolarHBondContact O-N 2.7Å
27	A	46.1	Very low	65.2	Low	94 Å²	94	111.1 Å²	111.1	78%	0.777	59%	0.594	S	S	*	*			trans	-66.8	92.6	170.9	0	0	0	0	0	103.9	R25 R29	R25-A27 PolarHBondContact O-N 2.9Å; A27-R29 PolarHBondContact O-N 3.34Å
28	T	60.3	Low	67.9	Low	119 Å²	119	107 Å²	107	73%	0.73	57%	0.571	S	S	*	*			trans	-53.2	109.6	174.8	43.1	0	0	0	0	105.6	N26 R30	N26-T28 PolarHBondContact O-N 2.7Å; T28-R30 PolarHBondContact O-N 3.45Å; T28-R30 VanDerWaalsContact O-N 3.12Å
29	R	85.3	Confident	70.4	Confident	174 Å²	174	102.9 Å²	102.9	66%	0.657	55%	0.549	S	S	*	.			trans	-48.7	123.5	-179	178.8	175.2	174	177.1	-5.3	106.7	A27 V31 D214	A27-R29 PolarHBondContact O-N 3.34Å; R29-V31 PolarHBondContact O-N 3.23Å; R29-D214 IonicContact CZ-OD2 3.69Å; R29-D214 IonicContact NH2-OD1 3.83Å; R29-D214 IonicContact NH2-OD2 2.64Å; R29-D214 PolarHBondContact NH2-OD2 3.11Å
30	R	97.2	Very high	73.3	Confident	64 Å²	64	105 Å²	105	24%	0.242	54%	0.539	C	S	.	.			trans	-64.1	132.4	179.1	-80.1	172.5	59.5	-173.6	-12.6	107.7	T28 D44 Y174 Q175 G177 G178	T28-R30 PolarHBondContact O-N 3.45Å; T28-R30 VanDerWaalsContact O-N 3.12Å; R30-D44 WeakPolarHBondContact CA-OD1 3.48Å; R30-Y174 HydrophobicContact CB-CD1 3.99Å; R30-Y174 HydrophobicContact CB-CE1 3.65Å; R30-Y174 WeakPolarHBondContact CB-O 3.45Å; R30-Y174 HydrophobicContact CG-CE1 4.18Å; R30-Y174 PolarHBondContact NE-O 3.14Å; R30-Y174 PolarHBondContact NH2-O 3.05Å; R30-Q175 VanDerWaalsContact O-CA 3.27Å; R30-Q175 WeakPolarHBondContact O-CA 3.36Å; R30-Q175 VanDerWaalsContact O-CB 3.3Å; R30-Q175 WeakPolarHBondContact O-CB 3.39Å; R30-G177 VanDerWaalsContact NH1-C 3.28Å; R30-G177 PolarHBondContact NH1-O 2.9Å; R30-G178 PolarHBondContact NH2-O 3.25Å
31	V	97.8	Very high	76.2	Confident	50 Å²	50	100 Å²	100	30%	0.303	51%	0.506	S	S	.	.			trans	-132.1	137.4	-177.8	175.7	0	0	0	0	108.5	R29 E33 D44 Y174	R29-V31 PolarHBondContact O-N 3.23Å; V31-E33 HydrophobicContact CG1-CB 4.17Å; V31-E33 HydrophobicContact CG1-CG 4.03Å; V31-D44 PolarHBondContact N-OD1 2.89Å; V31-D44 PolarHBondContact O-N 3.09Å; V31-Y174 WeakPolarHBondContact O-CE1 3.32Å
32	F	98.7	Very high	78.9	Confident	7 Å²	7	94.1 Å²	94.1	3%	0.031	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	118	168.6	-169.1	-85.8	0	0	0	107.9	F41 L42 K43 F48 Y174 I181 T182 V216	F32-F41 HydrophobicContact CD1-CD1 4.27Å; F32-F41 HydrophobicContact CE1-CB 4.25Å; F32-F41 AromaticContact CE1-CD1 3.33Å; F32-F41 HydrophobicContact CE1-CD1 3.33Å; F32-F41 AromaticContact CE1-CE1 3.66Å; F32-F41 HydrophobicContact CE1-CE1 3.66Å; F32-F41 AromaticContact CE1-CG 3.8Å; F32-F41 HydrophobicContact CE1-CG 3.8Å; F32-F41 HydrophobicContact CE1-CZ 4.36Å; F32-F41 HydrophobicContact CE2-CB 4.3Å; F32-F41 HydrophobicContact CZ-CB 3.78Å; F32-F41 AromaticContact CZ-CD1 3.64Å; F32-F41 HydrophobicContact CZ-CD1 3.64Å; F32-F41 HydrophobicContact CZ-CD2 4.09Å; F32-F41 HydrophobicContact CZ-CE1 4.18Å; F32-F41 AromaticContact CZ-CG 3.57Å; F32-F41 HydrophobicContact CZ-CG 3.57Å; F32-L42 WeakPolarHBondContact CA-O 3.24Å; F32-K43 HydrophobicContact CD2-CB 3.97Å; F32-K43 HydrophobicContact CD2-CG 4.14Å; F32-K43 HydrophobicContact CE2-CB 4.24Å; F32-F48 AromaticContact CE2-CD1 3.44Å; F32-F48 HydrophobicContact CE2-CD1 3.44Å; F32-F48 VanDerWaalsContact CE2-CD1 3.44Å; F32-F48 AromaticContact CE2-CE1 3.72Å; F32-F48 HydrophobicContact CE2-CE1 3.72Å; F32-F48 HydrophobicContact CE2-CG 4.25Å; F32-F48 AromaticContact CZ-CD1 3.84Å; F32-F48 HydrophobicContact CZ-CD1 3.84Å; F32-F48 HydrophobicContact CZ-CE1 4.07Å; F32-Y174 HydrophobicContact CB-CD1 3.79Å; F32-Y174 HydrophobicContact CB-CG 4.17Å; F32-I181 HydrophobicContact CB-CG2 4.37Å; F32-I181 HydrophobicContact CD1-CB 3.84Å; F32-I181 HydrophobicContact CD1-CG2 4.41Å; F32-I181 WeakPolarHBondContact CD1-O 3.27Å; F32-I181 HydrophobicContact CD2-CB 3.77Å; F32-I181 HydrophobicContact CD2-CG2 3.49Å; F32-I181 VanDerWaalsContact CD2-CG2 3.49Å; F32-I181 HydrophobicContact CE1-CB 3.88Å; F32-I181 HydrophobicContact CE1-CD1 4.39Å; F32-I181 HydrophobicContact CE2-CB 3.8Å; F32-I181 HydrophobicContact CE2-CD1 3.85Å; F32-I181 HydrophobicContact CE2-CG1 4.43Å; F32-I181 HydrophobicContact CE2-CG2 3.78Å; F32-I181 HydrophobicContact CG-CB 3.78Å; F32-I181 HydrophobicContact CG-CG2 3.83Å; F32-I181 HydrophobicContact CZ-CB 3.87Å; F32-I181 HydrophobicContact CZ-CD1 3.71Å; F32-I181 HydrophobicContact CZ-CG1 4.29Å; F32-I181 HydrophobicContact CZ-CG2 4.38Å; F32-T182 HydrophobicContact CD1-CG2 4.36Å; F32-T182 HydrophobicContact CE1-CG2 3.68Å; F32-T182 HydrophobicContact CZ-CG2 4.47Å; F32-V216 HydrophobicContact CD1-CG2 4.1Å
33	E	98.5	Very high	81.8	Confident	88 Å²	88	85.6 Å²	85.6	41%	0.411	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.7	-169.2	65.2	-174.3	154.9	0	0	112.2	V31 F41 L42	V31-E33 HydrophobicContact CG1-CB 4.17Å; V31-E33 HydrophobicContact CG1-CG 4.03Å; E33-F41 CarbonylContact O-C 3.54Å; E33-F41 VanDerWaalsContact O-CA 3.3Å; E33-F41 WeakPolarHBondContact O-CA 3.28Å; E33-L42 HydrophobicContact CG-CB 3.89Å; E33-L42 PolarHBondContact N-O 2.83Å; E33-L42 PolarHBondContact O-N 2.84Å
34	I	98.6	Very high	84.7	Confident	21 Å²	21	86 Å²	86	11%	0.108	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.2	173.6	-66.1	172.9	0	0	0	109.5	Y36 F41 V216 Y237	I34-Y36 HydrophobicContact CB-CD2 4.34Å; I34-Y36 HydrophobicContact CB-CE2 3.96Å; I34-Y36 HydrophobicContact CG2-CD1 3.81Å; I34-Y36 HydrophobicContact CG2-CD2 3.82Å; I34-Y36 HydrophobicContact CG2-CE1 3.76Å; I34-Y36 HydrophobicContact CG2-CE2 3.76Å; I34-Y36 HydrophobicContact CG2-CG 3.85Å; I34-Y36 WeakPolarHBondContact O-CD2 3.36Å; I34-Y36 PolarHBondContact O-N 2.72Å; I34-F41 HydrophobicContact CD1-CE1 4.18Å; I34-F41 HydrophobicContact CG1-CD1 3.8Å; I34-F41 HydrophobicContact CG1-CE1 3.54Å; I34-V216 HydrophobicContact CD1-CG1 3.8Å; I34-V216 HydrophobicContact CG1-CG1 4.2Å; I34-V216 HydrophobicContact CG1-CG2 4.4Å; I34-Y237 HydrophobicContact CD1-CD1 4Å; I34-Y237 HydrophobicContact CD1-CD2 3.59Å; I34-Y237 HydrophobicContact CD1-CE2 4.13Å; I34-Y237 HydrophobicContact CD1-CG 3.51Å
35	A	97.8	Very high	87.5	Confident	11 Å²	11	79.7 Å²	79.7	9%	0.091	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	81.8	168.9	0	0	0	0	0	110.2	S37 Q38 D39 R40 L42	A35-S37 PolarHBondContact O-N 2.8Å; A35-S37 VanDerWaalsContact O-N 3.09Å; A35-Q38 HydrophobicContact CB-CB 4.16Å; A35-Q38 HydrophobicContact CB-CG 4.39Å; A35-Q38 CarbonylContact O-C 3.49Å; A35-Q38 PolarHBondContact O-N 2.9Å; A35-D39 PolarHBondContact O-N 2.8Å; A35-D39 VanDerWaalsContact O-N 3.15Å; A35-R40 HydrophobicContact CB-CG 4.37Å; A35-R40 PolarHBondContact N-O 3.11Å; A35-L42 HydrophobicContact CB-CD1 3.83Å; A35-L42 HydrophobicContact CB-CD2 4.39Å; A35-L42 HydrophobicContact CB-CG 3.72Å
36	Y	97.7	Very high	90.2	Very high	116 Å²	116	75 Å²	75	46%	0.455	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.8	178.3	-65.4	-84.6	0	0	0	113.9	I34 Q38 Y237 K261	I34-Y36 HydrophobicContact CB-CD2 4.34Å; I34-Y36 HydrophobicContact CB-CE2 3.96Å; I34-Y36 HydrophobicContact CG2-CD1 3.81Å; I34-Y36 HydrophobicContact CG2-CD2 3.82Å; I34-Y36 HydrophobicContact CG2-CE1 3.76Å; I34-Y36 HydrophobicContact CG2-CE2 3.76Å; I34-Y36 HydrophobicContact CG2-CG 3.85Å; I34-Y36 WeakPolarHBondContact O-CD2 3.36Å; I34-Y36 PolarHBondContact O-N 2.72Å; Y36-Q38 VanDerWaalsContact C-N 3.28Å; Y36-Q38 PolarHBondContact O-N 2.81Å; Y36-Y237 HydrophobicContact CE1-CD2 4.16Å; Y36-Y237 HydrophobicContact CE1-CE2 4.08Å; Y36-K261 HydrophobicContact CD1-CB 4.24Å; Y36-K261 WeakPolarHBondContact O-CB 3.4Å
37	S	95.4	Very high	93	Very high	106 Å²	106	71.5 Å²	71.5	74%	0.741	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.8	177.2	55.5	0	0	0	0	114.6	A35	A35-S37 PolarHBondContact O-N 2.8Å; A35-S37 VanDerWaalsContact O-N 3.09Å
38	Q	95.6	Very high	95.5	Very high	89 Å²	89	68.6 Å²	68.6	42%	0.416	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	4.5	-174.8	-56.9	-176.8	26.2	0	0	113.4	A35 Y36 R40	A35-Q38 HydrophobicContact CB-CB 4.16Å; A35-Q38 HydrophobicContact CB-CG 4.39Å; A35-Q38 CarbonylContact O-C 3.49Å; A35-Q38 PolarHBondContact O-N 2.9Å; Y36-Q38 VanDerWaalsContact C-N 3.28Å; Y36-Q38 PolarHBondContact O-N 2.81Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 HydrophobicContact CB-CG 3.87Å; Q38-R40 PolarHBondContact O-N 2.69Å; Q38-R40 PolarHBondContact O-NE 3.17Å; Q38-R40 PolarHBondContact O-NH2 3.3Å
39	D	98	Very high	97.3	Very high	72 Å²	72	65.3 Å²	65.3	39%	0.385	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.9	-178.2	-73.4	-2.4	0	0	0	114.8	A35 R256 K261 G262 P263	A35-D39 PolarHBondContact O-N 2.8Å; A35-D39 VanDerWaalsContact O-N 3.15Å; D39-R256 IonicContact OD1-NH2 3.86Å; D39-R256 IonicContact OD2-CZ 3.22Å; D39-R256 IonicContact OD2-NH2 2.7Å; D39-R256 PolarHBondContact OD2-NH2 3.42Å; D39-K261 WeakPolarHBondContact OD1-CA 3.48Å; D39-G262 WeakPolarHBondContact CA-O 3.29Å; D39-G262 PolarHBondContact OD1-N 2.92Å; D39-P263 WeakPolarHBondContact O-CA 3.47Å
40	R	97.6	Very high	97.9	Very high	103 Å²	103	57 Å²	57	39%	0.389	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	171	-176.6	66.7	-167.2	67.5	-168	-2.5	112.8	A35 Q38	A35-R40 HydrophobicContact CB-CG 4.37Å; A35-R40 PolarHBondContact N-O 3.11Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 HydrophobicContact CB-CG 3.87Å; Q38-R40 PolarHBondContact O-N 2.69Å; Q38-R40 PolarHBondContact O-NE 3.17Å; Q38-R40 PolarHBondContact O-NH2 3.3Å
41	F	98.8	Very high	98	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	152.4	162	-65.4	-72.6	0	0	0	111.2	F32 E33 I34 F48 Y50 T182 V216 P263 I265	F32-F41 HydrophobicContact CD1-CD1 4.27Å; F32-F41 HydrophobicContact CE1-CB 4.25Å; F32-F41 AromaticContact CE1-CD1 3.33Å; F32-F41 HydrophobicContact CE1-CD1 3.33Å; F32-F41 AromaticContact CE1-CE1 3.66Å; F32-F41 HydrophobicContact CE1-CE1 3.66Å; F32-F41 AromaticContact CE1-CG 3.8Å; F32-F41 HydrophobicContact CE1-CG 3.8Å; F32-F41 HydrophobicContact CE1-CZ 4.36Å; F32-F41 HydrophobicContact CE2-CB 4.3Å; F32-F41 HydrophobicContact CZ-CB 3.78Å; F32-F41 AromaticContact CZ-CD1 3.64Å; F32-F41 HydrophobicContact CZ-CD1 3.64Å; F32-F41 HydrophobicContact CZ-CD2 4.09Å; F32-F41 HydrophobicContact CZ-CE1 4.18Å; F32-F41 AromaticContact CZ-CG 3.57Å; F32-F41 HydrophobicContact CZ-CG 3.57Å; E33-F41 CarbonylContact O-C 3.54Å; E33-F41 VanDerWaalsContact O-CA 3.3Å; E33-F41 WeakPolarHBondContact O-CA 3.28Å; I34-F41 HydrophobicContact CD1-CE1 4.18Å; I34-F41 HydrophobicContact CG1-CD1 3.8Å; I34-F41 HydrophobicContact CG1-CE1 3.54Å; F41-F48 HydrophobicContact CB-CB 4.27Å; F41-F48 HydrophobicContact CB-CD1 4.21Å; F41-F48 PolarHBondContact N-O 3.4Å; F41-F48 PolarHBondContact O-N 3.27Å; F41-Y50 HydrophobicContact CD2-CD1 4.37Å; F41-Y50 HydrophobicContact CD2-CE1 4.36Å; F41-Y50 AromaticContact CE2-CD1 3.94Å; F41-Y50 HydrophobicContact CE2-CD1 3.94Å; F41-Y50 AromaticContact CE2-CE1 3.51Å; F41-Y50 HydrophobicContact CE2-CE1 3.51Å; F41-Y50 HydrophobicContact CZ-CE1 4.03Å; F41-T182 HydrophobicContact CE1-CG2 4.26Å; F41-T182 HydrophobicContact CZ-CG2 4.27Å; F41-V216 HydrophobicContact CE1-CG1 4.27Å; F41-P263 HydrophobicContact CD1-CG 4.27Å; F41-P263 HydrophobicContact CD2-CB 4.07Å; F41-P263 HydrophobicContact CD2-CG 3.94Å; F41-P263 HydrophobicContact CE1-CG 3.95Å; F41-P263 HydrophobicContact CE2-CB 3.9Å; F41-P263 HydrophobicContact CE2-CG 3.6Å; F41-P263 HydrophobicContact CG-CG 4.28Å; F41-P263 HydrophobicContact CZ-CB 4.42Å; F41-P263 HydrophobicContact CZ-CG 3.63Å; F41-I265 HydrophobicContact CE2-CD1 3.79Å; F41-I265 HydrophobicContact CE2-CG1 4.43Å; F41-I265 HydrophobicContact CZ-CD1 3.58Å
42	L	98.6	Very high	98.1	Very high	23 Å²	23	51.6 Å²	51.6	12%	0.12	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.8	159.3	-62.1	177.5	0	0	0	109	F32 E33 A35 Q46 P47	F32-L42 WeakPolarHBondContact CA-O 3.24Å; E33-L42 HydrophobicContact CG-CB 3.89Å; E33-L42 PolarHBondContact N-O 2.83Å; E33-L42 PolarHBondContact O-N 2.84Å; A35-L42 HydrophobicContact CB-CD1 3.83Å; A35-L42 HydrophobicContact CB-CD2 4.39Å; A35-L42 HydrophobicContact CB-CG 3.72Å; L42-Q46 CarbonylContact C-O 3.21Å; L42-Q46 VanDerWaalsContact CA-O 3.29Å; L42-Q46 WeakPolarHBondContact CA-O 3.26Å; L42-P47 HydrophobicContact CD2-CG 4.46Å
43	K	98.5	Very high	98.1	Very high	53 Å²	53	51.3 Å²	51.3	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.5	170.3	-179.2	-169.9	166.3	-60.2	0	107.5	F32 G45 Q46 F48 L117 Y174	F32-K43 HydrophobicContact CD2-CB 3.97Å; F32-K43 HydrophobicContact CD2-CG 4.14Å; F32-K43 HydrophobicContact CE2-CB 4.24Å; K43-G45 PolarHBondContact O-N 3.42Å; K43-Q46 PolarHBondContact N-O 2.8Å; K43-Q46 WeakPolarHBondContact O-CB 3.39Å; K43-Q46 PolarHBondContact O-N 3.41Å; K43-F48 HydrophobicContact CB-CB 3.71Å; K43-F48 HydrophobicContact CB-CD2 4.21Å; K43-F48 HydrophobicContact CB-CG 3.9Å; K43-F48 HydrophobicContact CD-CD2 3.95Å; K43-F48 HydrophobicContact CD-CE2 4.2Å; K43-F48 HydrophobicContact CD-CG 4.38Å; K43-L117 HydrophobicContact CD-CD1 4.1Å; K43-Y174 HydrophobicContact CD-CE2 4.45Å; K43-Y174 WeakPolarHBondContact CE-OH 3.2Å; K43-Y174 HydrophobicContact CG-CE1 4.15Å; K43-Y174 HydrophobicContact CG-CE2 4.42Å; K43-Y174 PolarHBondContact NZ-OH 3.37Å
44	D	98.2	Very high	98.1	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.332	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	39.8	-173.5	-44.2	-58.3	0	0	0	112.4	R30 V31 Q46 Y174	R30-D44 WeakPolarHBondContact CA-OD1 3.48Å; V31-D44 PolarHBondContact N-OD1 2.89Å; V31-D44 PolarHBondContact O-N 3.09Å; D44-Q46 PolarHBondContact O-N 3.12Å; D44-Y174 VanDerWaalsContact CG-OH 3.27Å; D44-Y174 WeakPolarHBondContact OD1-CE1 3.38Å; D44-Y174 PolarHBondContact OD1-OH 2.96Å; D44-Y174 PolarHBondContact OD2-OH 3.16Å
45	G	97.3	Very high	98.1	Very high	41 Å²	41	46.1 Å²	46.1	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	1	-176.8	0	0	0	0	0	115.6	K43	K43-G45 PolarHBondContact O-N 3.42Å
46	Q	98.1	Very high	98.2	Very high	132 Å²	132	45.8 Å²	45.8	62%	0.617	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.7	177.9	-60.4	-55.7	-51.4	0	0	111.8	L42 K43 D44 F48	L42-Q46 CarbonylContact C-O 3.21Å; L42-Q46 VanDerWaalsContact CA-O 3.29Å; L42-Q46 WeakPolarHBondContact CA-O 3.26Å; K43-Q46 PolarHBondContact N-O 2.8Å; K43-Q46 WeakPolarHBondContact O-CB 3.39Å; K43-Q46 PolarHBondContact O-N 3.41Å; D44-Q46 PolarHBondContact O-N 3.12Å; Q46-F48 PolarHBondContact O-N 3.03Å
47	P	98.3	Very high	98.2	Very high	75 Å²	75	40.3 Å²	40.3	49%	0.487	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-47	126.2	170.7	-32.2	38.6	0	0	0	112.9	L42	L42-P47 HydrophobicContact CD2-CG 4.46Å
48	F	98.8	Very high	98.4	Very high	34 Å²	34	35.8 Å²	35.8	15%	0.149	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.4	-179.3	-177.1	-96.1	0	0	0	112	F32 F41 K43 Q46 Y50 L117 I181	F32-F48 AromaticContact CE2-CD1 3.44Å; F32-F48 HydrophobicContact CE2-CD1 3.44Å; F32-F48 VanDerWaalsContact CE2-CD1 3.44Å; F32-F48 AromaticContact CE2-CE1 3.72Å; F32-F48 HydrophobicContact CE2-CE1 3.72Å; F32-F48 HydrophobicContact CE2-CG 4.25Å; F32-F48 AromaticContact CZ-CD1 3.84Å; F32-F48 HydrophobicContact CZ-CD1 3.84Å; F32-F48 HydrophobicContact CZ-CE1 4.07Å; F41-F48 HydrophobicContact CB-CB 4.27Å; F41-F48 HydrophobicContact CB-CD1 4.21Å; F41-F48 PolarHBondContact N-O 3.4Å; F41-F48 PolarHBondContact O-N 3.27Å; K43-F48 HydrophobicContact CB-CB 3.71Å; K43-F48 HydrophobicContact CB-CD2 4.21Å; K43-F48 HydrophobicContact CB-CG 3.9Å; K43-F48 HydrophobicContact CD-CD2 3.95Å; K43-F48 HydrophobicContact CD-CE2 4.2Å; K43-F48 HydrophobicContact CD-CG 4.38Å; Q46-F48 PolarHBondContact O-N 3.03Å; F48-Y50 HydrophobicContact CE1-CD1 4.45Å; F48-L117 HydrophobicContact CE1-CD1 4.22Å; F48-L117 HydrophobicContact CE2-CD1 3.92Å; F48-L117 HydrophobicContact CZ-CD1 3.51Å; F48-I181 HydrophobicContact CE1-CD1 4.1Å
49	R	98.6	Very high	98.6	Very high	49 Å²	49	31.6 Å²	31.6	19%	0.185	16%	0.163	C	C	.	.			trans	-142.7	130.6	173.4	169.8	-165	58.6	-167.7	-8.4	106.6	N78 L297 A301 S302 E358	R49-N78 PolarHBondContact O-ND2 3.4Å; R49-L297 PolarHBondContact NH1-O 2.85Å; R49-A301 VanDerWaalsContact CD-O 3.25Å; R49-A301 WeakPolarHBondContact CD-O 3.47Å; R49-S302 WeakPolarHBondContact CG-OG 3.44Å; R49-E358 IonicContact CZ-OE1 2.73Å; R49-E358 IonicContact NE-OE1 2.67Å; R49-E358 IonicContact NH2-OE1 2.83Å; R49-E358 PolarHBondContact NH2-OE1 2.8Å
50	Y	98.9	Very high	98.6	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	15%	0.146	C	C	.	.			trans	-86.6	144.4	172.1	56.5	-103.4	0	0	0	112	F41 F48 N78 T79 I119 I181 I265 S302 V303	F41-Y50 HydrophobicContact CD2-CD1 4.37Å; F41-Y50 HydrophobicContact CD2-CE1 4.36Å; F41-Y50 AromaticContact CE2-CD1 3.94Å; F41-Y50 HydrophobicContact CE2-CD1 3.94Å; F41-Y50 AromaticContact CE2-CE1 3.51Å; F41-Y50 HydrophobicContact CE2-CE1 3.51Å; F41-Y50 HydrophobicContact CZ-CE1 4.03Å; F48-Y50 HydrophobicContact CE1-CD1 4.45Å; Y50-N78 VanDerWaalsContact CA-OD1 3.28Å; Y50-N78 WeakPolarHBondContact CA-OD1 3.3Å; Y50-T79 VanDerWaalsContact CB-OG1 3.27Å; Y50-T79 WeakPolarHBondContact CB-OG1 3.38Å; Y50-I119 HydrophobicContact CD1-CD1 4.15Å; Y50-I119 HydrophobicContact CD2-CD1 3.71Å; Y50-I119 HydrophobicContact CE1-CD1 3.9Å; Y50-I119 HydrophobicContact CE2-CD1 3.46Å; Y50-I119 VanDerWaalsContact CE2-CD1 3.46Å; Y50-I119 HydrophobicContact CG-CD1 4.03Å; Y50-I181 HydrophobicContact CD1-CD1 4.25Å; Y50-I265 WeakPolarHBondContact OH-CG2 3.38Å; Y50-S302 PolarHBondContact N-OG 3.04Å; Y50-S302 WeakPolarHBondContact O-CA 3.42Å; Y50-V303 PolarHBondContact O-N 2.94Å
51	I	98.9	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	104.7	159.1	-48	-177.2	0	0	0	104.3	L77 N78 T79 L297 V303 L305 I354 E358	I51-L77 HydrophobicContact CB-CD2 4.48Å; I51-L77 HydrophobicContact CG2-CD2 3.8Å; I51-L77 WeakPolarHBondContact O-CA 3.4Å; I51-N78 PolarHBondContact N-OD1 3.1Å; I51-N78 PolarHBondContact O-N 2.9Å; I51-N78 VanDerWaalsContact O-N 3.08Å; I51-N78 PolarHBondContact O-OD1 3.23Å; I51-T79 PolarHBondContact O-N 3.47Å; I51-L297 HydrophobicContact CD1-CD1 4.01Å; I51-L297 HydrophobicContact CD1-CD2 3.66Å; I51-L297 HydrophobicContact CG1-CD2 3.75Å; I51-V303 HydrophobicContact CG2-CG1 4.22Å; I51-L305 HydrophobicContact CG2-CD1 4.36Å; I51-I354 HydrophobicContact CD1-CG2 4.07Å; I51-I354 HydrophobicContact CG2-CD1 4.05Å; I51-I354 HydrophobicContact CG2-CG1 4.16Å; I51-E358 HydrophobicContact CD1-CG 3.76Å
52	S	99	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	155.2	-170.7	-179.4	0	0	0	0	111.4	T79 I80 Q81 V303 N304 L305	S52-T79 WeakPolarHBondContact CA-O 3.38Å; S52-I80 VanDerWaalsContact OG-C 3.3Å; S52-Q81 PolarHBondContact OG-N 3.29Å; S52-V303 PolarHBondContact N-O 3.3Å; S52-N304 WeakPolarHBondContact CB-OD1 3.28Å; S52-N304 WeakPolarHBondContact O-CA 3.45Å; S52-N304 PolarHBondContact OG-OD1 2.98Å; S52-L305 WeakPolarHBondContact O-CD1 3.28Å; S52-L305 PolarHBondContact O-N 3.17Å
53	G	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.8	168.8	0	0	0	0	0	110.7	M72 I80 Q81 N304	G53-M72 WeakPolarHBondContact O-CE 3.39Å; G53-I80 WeakPolarHBondContact O-CA 3.43Å; G53-Q81 PolarHBondContact O-N 3.48Å; G53-N304 PolarHBondContact N-OD1 3.5Å
54	S	99	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.6	178.8	-46.1	0	0	0	0	110.7	Q81 N304 L305 Y306 F308 I309	S54-Q81 WeakPolarHBondContact CA-O 3.44Å; S54-N304 PolarHBondContact N-OD1 3.17Å; S54-N304 PolarHBondContact OG-ND2 3.44Å; S54-N304 PolarHBondContact OG-OD1 2.84Å; S54-L305 WeakPolarHBondContact CB-O 3.39Å; S54-L305 PolarHBondContact N-O 3.19Å; S54-L305 PolarHBondContact OG-O 2.72Å; S54-Y306 WeakPolarHBondContact OG-CD2 3.25Å; S54-F308 PolarHBondContact O-N 3.4Å; S54-I309 PolarHBondContact O-N 3.49Å
55	I	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	127.2	175.2	173.4	168.1	0	0	0	107.3	R68 L69 M72 I80 Q81 T82 F107 I309	I55-R68 HydrophobicContact CD1-CB 3.81Å; I55-L69 HydrophobicContact CD1-CD2 4.3Å; I55-L69 HydrophobicContact CD1-CG 4.41Å; I55-L69 HydrophobicContact CG2-CD2 4.33Å; I55-M72 HydrophobicContact CB-CE 3.94Å; I55-M72 HydrophobicContact CB-SD 3.8Å; I55-M72 HydrophobicContact CD1-SD 3.86Å; I55-M72 HydrophobicContact CG1-SD 4.42Å; I55-M72 HydrophobicContact CG2-CE 3.59Å; I55-M72 HydrophobicContact CG2-SD 3.68Å; I55-I80 HydrophobicContact CG2-CB 4.08Å; I55-I80 HydrophobicContact CG2-CD1 3.94Å; I55-Q81 PolarHBondContact N-O 2.84Å; I55-T82 VanDerWaalsContact O-CB 3.25Å; I55-T82 WeakPolarHBondContact O-CB 3.32Å; I55-T82 PolarHBondContact O-OG1 3.32Å; I55-F107 HydrophobicContact CD1-CE2 4.17Å; I55-F107 HydrophobicContact CD1-CZ 4.13Å; I55-F107 HydrophobicContact CG1-CE2 4.5Å; I55-F107 HydrophobicContact CG1-CZ 4.1Å; I55-F107 HydrophobicContact CG2-CZ 3.84Å; I55-I309 HydrophobicContact CB-CG2 3.81Å; I55-I309 HydrophobicContact CD1-CG2 3.79Å; I55-I309 HydrophobicContact CG1-CG2 3.63Å
56	H	98.9	Very high	98.8	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.019	14%	0.135	C	C	.	.			trans	-103.5	113.9	178	-59.3	157.4	0	0	0	109	S58 R59 Y83 Y306 M307	H56-S58 PolarHBondContact O-N 3.39Å; H56-R59 HydrophobicContact CB-CB 4.22Å; H56-R59 HydrophobicContact CB-CG 4.18Å; H56-R59 PolarHBondContact ND1-NH1 2.99Å; H56-R59 PolarHBondContact O-N 3.31Å; H56-Y83 AromaticContact CE1-CD2 3.59Å; H56-Y83 AromaticContact NE2-CD2 3.36Å; H56-Y83 WeakPolarHBondContact NE2-CD2 3.47Å; H56-Y306 AromaticContact CE1-CE2 3.82Å; H56-Y306 AromaticContact NE2-CE2 3.93Å; H56-M307 VanDerWaalsContact CE1-CE 3.47Å; H56-M307 WeakPolarHBondContact CE1-CE 3.49Å; H56-M307 VanDerWaalsContact CE1-SD 3.51Å
57	Y	98.9	Very high	98.9	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-62.5	-27.4	-178.8	62	-91	0	0	0	112.2	R59 I60 W65 T82 Y83 V84 F88 H89 V104 F107	Y57-R59 PolarHBondContact O-N 2.93Å; Y57-I60 PolarHBondContact O-N 2.83Å; Y57-W65 HydrophobicContact CD2-CZ2 4.26Å; Y57-W65 HydrophobicContact CG-CZ2 4.49Å; Y57-W65 PolarHBondContact O-NE1 2.94Å; Y57-T82 HydrophobicContact CD1-CG2 4.3Å; Y57-T82 HydrophobicContact CE1-CG2 4.33Å; Y57-Y83 WeakPolarHBondContact CE1-O 3.39Å; Y57-V84 WeakPolarHBondContact OH-CA 3.35Å; Y57-V84 WeakPolarHBondContact OH-CG1 3.42Å; Y57-F88 HydrophobicContact CD2-CE1 4.34Å; Y57-F88 HydrophobicContact CE2-CD1 4.16Å; Y57-F88 AromaticContact CE2-CE1 3.99Å; Y57-F88 HydrophobicContact CE2-CE1 3.99Å; Y57-H89 AromaticContact CE2-CE1 3.92Å; Y57-H89 AromaticContact CE2-NE2 3.63Å; Y57-H89 AromaticContact CZ-NE2 3.56Å; Y57-H89 PolarHBondContact OH-NE2 3.02Å; Y57-V104 HydrophobicContact CD1-CG2 4.17Å; Y57-V104 HydrophobicContact CE1-CB 4.07Å; Y57-V104 HydrophobicContact CE1-CG2 3.51Å; Y57-V104 HydrophobicContact CE2-CB 3.94Å; Y57-V104 HydrophobicContact CE2-CG2 4.32Å; Y57-F107 AromaticContact CD1-CD1 3.86Å; Y57-F107 HydrophobicContact CD1-CD1 3.86Å; Y57-F107 HydrophobicContact CD1-CE1 4.2Å; Y57-F107 HydrophobicContact CD1-CG 4.36Å; Y57-F107 HydrophobicContact CG-CD1 4.18Å; Y57-F107 HydrophobicContact CG-CG 4.23Å
58	S	98.9	Very high	98.9	Very high	11 Å²	11	21 Å²	21	8%	0.077	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-72	-10.3	173.8	65.1	0	0	0	0	114.6	H56 W130	H56-S58 PolarHBondContact O-N 3.39Å; S58-W130 WeakPolarHBondContact OG-CH2 3.35Å; S58-W130 WeakPolarHBondContact OG-CZ3 3.36Å
59	R	98.9	Very high	98.9	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-106	-2.6	177	-72.1	-169.4	164.4	126.3	9.3	114.1	H56 Y57 A128 E129 W130 G310 T312 N313 Y331	H56-R59 HydrophobicContact CB-CB 4.22Å; H56-R59 HydrophobicContact CB-CG 4.18Å; H56-R59 PolarHBondContact ND1-NH1 2.99Å; H56-R59 PolarHBondContact O-N 3.31Å; Y57-R59 PolarHBondContact O-N 2.93Å; R59-A128 VanDerWaalsContact CZ-O 3.23Å; R59-A128 PolarHBondContact NH1-O 2.6Å; R59-A128 PolarHBondContact NH2-O 2.71Å; R59-E129 PolarHBondContact NH2-O 3Å; R59-W130 HydrophobicContact CG-CE3 4.32Å; R59-W130 HydrophobicContact CG-CZ3 3.86Å; R59-G310 VanDerWaalsContact CB-O 3.31Å; R59-G310 WeakPolarHBondContact CB-O 3.25Å; R59-G310 WeakPolarHBondContact CD-O 3.47Å; R59-T312 WeakPolarHBondContact CA-O 3.39Å; R59-T312 PolarHBondContact O-N 3.31Å; R59-N313 PolarHBondContact NE-OD1 3.22Å; R59-N313 PolarHBondContact NH2-OD1 3.39Å; R59-Y331 VanDerWaalsContact NH1-CD1 3.27Å; R59-Y331 VanDerWaalsContact NH1-CZ 3.28Å
60	I	98.9	Very high	98.9	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.026	9%	0.09	C	C	.	.	S	Bend	trans	-130.5	125.9	-177.6	-56.3	-65.4	0	0	0	107.3	Y57 W65 R68 I309	Y57-I60 PolarHBondContact O-N 2.83Å; I60-W65 PolarHBondContact O-NE1 3.09Å; I60-R68 HydrophobicContact CG2-CG 3.8Å; I60-I309 HydrophobicContact CD1-CD1 3.74Å; I60-I309 HydrophobicContact CD1-CG1 4.14Å
61	P	98.9	Very high	98.9	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.026	9%	0.09	C	C	.	.			trans	-60.8	144	176.7	-20.8	32.8	0	0	0	111.4	F63 Y64 F314 P604 H606	P61-F63 PolarHBondContact O-N 3.49Å; P61-F63 VanDerWaalsContact O-N 3.08Å; P61-Y64 PolarHBondContact O-N 3.19Å; P61-F314 HydrophobicContact CG-CE2 3.93Å; P61-F314 HydrophobicContact CG-CZ 4.16Å; P61-P604 HydrophobicContact CG-CB 4.07Å; P61-P604 HydrophobicContact CG-CG 3.97Å; P61-H606 WeakPolarHBondContact CB-CE1 3.38Å
62	R	98.9	Very high	98.9	Very high	57 Å²	57	19.7 Å²	19.7	22%	0.215	9%	0.09	C	C	.	.	H	α-helix	trans	-51.6	-37	-177.5	177.4	179.7	-169	175.5	23.5	112.9	Y64 W65 E100 D101 D103 Y106	R62-Y64 PolarHBondContact O-N 3.48Å; R62-Y64 VanDerWaalsContact O-N 3.08Å; R62-W65 HydrophobicContact CB-CD2 4.13Å; R62-W65 HydrophobicContact CB-CE3 4.2Å; R62-W65 HydrophobicContact CB-CH2 4.09Å; R62-W65 HydrophobicContact CB-CZ2 4.01Å; R62-W65 HydrophobicContact CB-CZ3 4.19Å; R62-W65 HydrophobicContact CG-CD2 4.16Å; R62-W65 HydrophobicContact CG-CE3 3.78Å; R62-W65 HydrophobicContact CG-CH2 4.16Å; R62-W65 HydrophobicContact CG-CZ3 3.79Å; R62-W65 PolarHBondContact O-N 3.25Å; R62-W65 VanDerWaalsContact O-N 3.16Å; R62-E100 IonicContact CZ-OE2 3.7Å; R62-E100 VanDerWaalsContact NH1-CD 3.27Å; R62-E100 IonicContact NH1-OE1 2.7Å; R62-E100 PolarHBondContact NH1-OE1 2.83Å; R62-E100 IonicContact NH1-OE2 3.93Å; R62-E100 PolarHBondContact NH1-OE2 2.62Å; R62-D101 VanDerWaalsContact CB-OD1 3.22Å; R62-D101 WeakPolarHBondContact CB-OD1 3.29Å; R62-D101 PolarHBondContact N-OD1 3.17Å; R62-D103 IonicContact CZ-OD2 2.74Å; R62-D103 IonicContact NH2-OD2 3.25Å; R62-D103 PolarHBondContact NH2-OD2 3.44Å; R62-Y106 VanDerWaalsContact NH2-CG 3.29Å
63	F	98.9	Very high	98.9	Very high	111 Å²	111	22 Å²	22	49%	0.487	10%	0.1	S	C	.	.	H	α-helix	trans	-47	-36.2	173.1	-177.2	-99.3	0	0	0	113	P61 Q605 H606	P61-F63 PolarHBondContact O-N 3.49Å; P61-F63 VanDerWaalsContact O-N 3.08Å; F63-Q605 HydrophobicContact CE1-CG 4.05Å; F63-Q605 HydrophobicContact CZ-CG 4.42Å; F63-H606 HydrophobicContact CB-CB 4.01Å; F63-H606 HydrophobicContact CD1-CB 3.83Å; F63-H606 HydrophobicContact CD2-CB 3.77Å; F63-H606 HydrophobicContact CE1-CB 4.24Å; F63-H606 HydrophobicContact CE2-CB 4.19Å; F63-H606 HydrophobicContact CG-CB 3.58Å; F63-H606 AromaticContact CG-CG 3.92Å; F63-H606 HydrophobicContact CZ-CB 4.42Å
64	Y	98.9	Very high	98.9	Very high	8 Å²	8	22.7 Å²	22.7	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-99.4	-9.8	-176.2	-74.8	-50.6	0	0	0	115.8	P61 R62 K66 D67 R68 T369 D568 F602 P604 Q605	P61-Y64 PolarHBondContact O-N 3.19Å; R62-Y64 PolarHBondContact O-N 3.48Å; R62-Y64 VanDerWaalsContact O-N 3.08Å; Y64-K66 PolarHBondContact O-N 3Å; Y64-K66 VanDerWaalsContact O-N 3.11Å; Y64-D67 PolarHBondContact O-N 2.99Å; Y64-R68 WeakPolarHBondContact O-CG 3.36Å; Y64-R68 PolarHBondContact O-N 3.02Å; Y64-R68 VanDerWaalsContact O-N 3.09Å; Y64-T369 HydrophobicContact CE1-CG2 3.97Å; Y64-D568 PolarHBondContact OH-OD1 2.82Å; Y64-D568 PolarHBondContact OH-OD2 3.02Å; Y64-D568 VanDerWaalsContact OH-OD2 3.11Å; Y64-F602 HydrophobicContact CE2-CZ 4.26Å; Y64-P604 HydrophobicContact CD2-CB 4.39Å; Y64-P604 HydrophobicContact CE2-CB 3.83Å; Y64-Q605 WeakPolarHBondContact OH-CG 3.47Å
65	W	98.9	Very high	98.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-51	-43.1	-175.7	-69.7	-9.7	0	0	0	112.9	Y57 I60 R62 R68 L69 E100 D101 D103 Y106 F107 L110	Y57-W65 HydrophobicContact CD2-CZ2 4.26Å; Y57-W65 HydrophobicContact CG-CZ2 4.49Å; Y57-W65 PolarHBondContact O-NE1 2.94Å; I60-W65 PolarHBondContact O-NE1 3.09Å; R62-W65 HydrophobicContact CB-CD2 4.13Å; R62-W65 HydrophobicContact CB-CE3 4.2Å; R62-W65 HydrophobicContact CB-CH2 4.09Å; R62-W65 HydrophobicContact CB-CZ2 4.01Å; R62-W65 HydrophobicContact CB-CZ3 4.19Å; R62-W65 HydrophobicContact CG-CD2 4.16Å; R62-W65 HydrophobicContact CG-CE3 3.78Å; R62-W65 HydrophobicContact CG-CH2 4.16Å; R62-W65 HydrophobicContact CG-CZ3 3.79Å; R62-W65 PolarHBondContact O-N 3.25Å; R62-W65 VanDerWaalsContact O-N 3.16Å; W65-R68 PolarHBondContact O-N 3.27Å; W65-L69 VanDerWaalsContact O-CB 3.3Å; W65-L69 WeakPolarHBondContact O-CB 3.3Å; W65-L69 WeakPolarHBondContact O-CD1 3.42Å; W65-L69 VanDerWaalsContact O-CG 3.22Å; W65-L69 WeakPolarHBondContact O-CG 3.29Å; W65-L69 PolarHBondContact O-N 2.87Å; W65-E100 WeakPolarHBondContact CH2-O 3.34Å; W65-D101 WeakPolarHBondContact CZ2-O 3.41Å; W65-D103 WeakPolarHBondContact CZ3-O 3.5Å; W65-Y106 AromaticContact CE3-CD1 3.89Å; W65-Y106 HydrophobicContact CE3-CD1 3.89Å; W65-Y106 HydrophobicContact CE3-CE1 4.31Å; W65-Y106 AromaticContact CZ3-CD1 3.85Å; W65-Y106 HydrophobicContact CZ3-CD1 3.85Å; W65-F107 HydrophobicContact CB-CD2 4.04Å; W65-F107 HydrophobicContact CB-CE2 4.29Å; W65-F107 HydrophobicContact CD2-CB 4.29Å; W65-F107 AromaticContact CD2-CD2 3.58Å; W65-F107 HydrophobicContact CD2-CD2 3.58Å; W65-F107 HydrophobicContact CD2-CE2 4.41Å; W65-F107 HydrophobicContact CD2-CG 4.37Å; W65-F107 HydrophobicContact CE3-CB 3.74Å; W65-F107 AromaticContact CE3-CD2 3.82Å; W65-F107 HydrophobicContact CE3-CD2 3.82Å; W65-F107 HydrophobicContact CE3-CG 4.28Å; W65-F107 AromaticContact CG-CD2 3.68Å; W65-F107 HydrophobicContact CG-CD2 3.68Å; W65-F107 HydrophobicContact CG-CE2 4.08Å; W65-F107 HydrophobicContact CH2-CB 4.29Å; W65-F107 HydrophobicContact CZ3-CB 3.74Å; W65-L110 HydrophobicContact CB-CD2 3.8Å
66	K	98.9	Very high	98.9	Very high	118 Å²	118	23.1 Å²	23.1	51%	0.513	11%	0.108	S	C	.	.	H	α-helix	trans	-65.9	-40.3	179.9	-171	170.2	-175.3	170.7	0	113.1	Y64 L70 L110 L114	Y64-K66 PolarHBondContact O-N 3Å; Y64-K66 VanDerWaalsContact O-N 3.11Å; K66-L70 WeakPolarHBondContact O-CB 3.47Å; K66-L70 PolarHBondContact O-N 2.96Å; K66-L110 HydrophobicContact CB-CD1 4.22Å; K66-L110 HydrophobicContact CB-CD2 4.03Å; K66-L110 HydrophobicContact CD-CD1 4.21Å; K66-L110 HydrophobicContact CG-CD1 4.12Å; K66-L114 HydrophobicContact CG-CD1 4.47Å
67	D	98.9	Very high	98.9	Very high	36 Å²	36	23 Å²	23	19%	0.193	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-48.2	177.7	173.6	75.1	0	0	0	110.7	Y64 L70 K71 P366	Y64-D67 PolarHBondContact O-N 2.99Å; D67-L70 PolarHBondContact O-N 2.97Å; D67-K71 WeakPolarHBondContact O-CG 3.37Å; D67-K71 PolarHBondContact O-N 3.35Å; D67-K71 VanDerWaalsContact OD1-CE 3.31Å; D67-K71 WeakPolarHBondContact OD1-CE 3.42Å; D67-K71 IonicContact OD1-NZ 2.6Å; D67-K71 PolarHBondContact OD1-NZ 3.29Å; D67-K71 WeakPolarHBondContact OD2-CE 3.13Å; D67-K71 IonicContact OD2-NZ 2.78Å; D67-K71 PolarHBondContact OD2-NZ 2.98Å; D67-P366 WeakPolarHBondContact OD1-CB 3.16Å
68	R	98.9	Very high	98.9	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-66.1	-46.2	-177.3	-45.8	-39.2	-174.6	-155.9	3.8	111	I55 I60 Y64 W65 L70 K71 M72 I309 A340	I55-R68 HydrophobicContact CD1-CB 3.81Å; I60-R68 HydrophobicContact CG2-CG 3.8Å; Y64-R68 WeakPolarHBondContact O-CG 3.36Å; Y64-R68 PolarHBondContact O-N 3.02Å; Y64-R68 VanDerWaalsContact O-N 3.09Å; W65-R68 PolarHBondContact O-N 3.27Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-L70 PolarHBondContact O-N 3.37Å; R68-K71 PolarHBondContact O-N 3.33Å; R68-M72 VanDerWaalsContact O-CG 3.27Å; R68-M72 WeakPolarHBondContact O-CG 3.35Å; R68-M72 PolarHBondContact O-N 3.49Å; R68-I309 HydrophobicContact CB-CD1 4.2Å; R68-I309 HydrophobicContact CG-CD1 3.81Å; R68-A340 PolarHBondContact NH1-O 2.87Å; R68-A340 PolarHBondContact NH2-O 2.91Å
69	L	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-37.1	175.6	-71	169.9	0	0	0	112.6	I55 W65 M72 K73 I80 F107 L110 A111 L114 L116	I55-L69 HydrophobicContact CD1-CD2 4.3Å; I55-L69 HydrophobicContact CD1-CG 4.41Å; I55-L69 HydrophobicContact CG2-CD2 4.33Å; W65-L69 VanDerWaalsContact O-CB 3.3Å; W65-L69 WeakPolarHBondContact O-CB 3.3Å; W65-L69 WeakPolarHBondContact O-CD1 3.42Å; W65-L69 VanDerWaalsContact O-CG 3.22Å; W65-L69 WeakPolarHBondContact O-CG 3.29Å; W65-L69 PolarHBondContact O-N 2.87Å; L69-M72 HydrophobicContact CD2-SD 4.28Å; L69-M72 WeakPolarHBondContact O-CB 3.48Å; L69-M72 PolarHBondContact O-N 2.95Å; L69-K73 WeakPolarHBondContact O-CB 3.4Å; L69-K73 PolarHBondContact O-N 3.44Å; L69-I80 HydrophobicContact CD2-CD1 4.37Å; L69-I80 HydrophobicContact CD2-CG1 4.24Å; L69-I80 HydrophobicContact CD2-CG2 4.07Å; L69-F107 HydrophobicContact CD1-CD2 4.22Å; L69-F107 HydrophobicContact CD1-CE2 3.83Å; L69-F107 HydrophobicContact CD1-CZ 4.41Å; L69-F107 HydrophobicContact CD2-CE2 4.16Å; L69-F107 HydrophobicContact CD2-CZ 4.02Å; L69-F107 HydrophobicContact CG-CE2 4.1Å; L69-F107 HydrophobicContact CG-CZ 4.47Å; L69-L110 HydrophobicContact CD1-CB 4.43Å; L69-L110 HydrophobicContact CD1-CD2 4.08Å; L69-L110 HydrophobicContact CD1-CG 3.96Å; L69-A111 HydrophobicContact CD1-CB 4.24Å; L69-A111 HydrophobicContact CD2-CB 4.29Å; L69-L114 HydrophobicContact CB-CD1 3.47Å; L69-L114 VanDerWaalsContact CB-CD1 3.47Å; L69-L114 HydrophobicContact CD1-CD1 4.35Å; L69-L116 HydrophobicContact CB-CD1 4.29Å; L69-L116 HydrophobicContact CD2-CD1 4.18Å
70	L	98.9	Very high	98.9	Very high	56 Å²	56	23.9 Å²	23.9	29%	0.293	11%	0.112	S	C	.	.	H	α-helix	trans	-70.2	-40.2	176.7	-176.5	57	0	0	0	111.5	K66 D67 R68 M72 K73 M74 L114 P366	K66-L70 WeakPolarHBondContact O-CB 3.47Å; K66-L70 PolarHBondContact O-N 2.96Å; D67-L70 PolarHBondContact O-N 2.97Å; R68-L70 VanDerWaalsContact C-N 3.34Å; R68-L70 PolarHBondContact O-N 3.37Å; L70-M72 PolarHBondContact O-N 3.2Å; L70-K73 WeakPolarHBondContact O-CB 3.37Å; L70-K73 PolarHBondContact O-N 2.84Å; L70-M74 HydrophobicContact CD1-CG 4.24Å; L70-M74 HydrophobicContact CG-CG 4.45Å; L70-M74 WeakPolarHBondContact O-CB 3.39Å; L70-M74 VanDerWaalsContact O-CG 3.24Å; L70-M74 WeakPolarHBondContact O-CG 3.48Å; L70-M74 PolarHBondContact O-N 2.89Å; L70-L114 HydrophobicContact CD1-CD2 4.35Å; L70-P366 HydrophobicContact CB-CG 4.16Å; L70-P366 HydrophobicContact CD2-CG 3.52Å; L70-P366 HydrophobicContact CG-CG 3.61Å
71	K	98.9	Very high	98.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-45.4	171	-72.9	168	174.3	163.4	0	111.5	D67 R68 K73 M74 A75 L337 G341 L343 Y347 I365 P366 P367	D67-K71 WeakPolarHBondContact O-CG 3.37Å; D67-K71 PolarHBondContact O-N 3.35Å; D67-K71 VanDerWaalsContact OD1-CE 3.31Å; D67-K71 WeakPolarHBondContact OD1-CE 3.42Å; D67-K71 IonicContact OD1-NZ 2.6Å; D67-K71 PolarHBondContact OD1-NZ 3.29Å; D67-K71 WeakPolarHBondContact OD2-CE 3.13Å; D67-K71 IonicContact OD2-NZ 2.78Å; D67-K71 PolarHBondContact OD2-NZ 2.98Å; R68-K71 PolarHBondContact O-N 3.33Å; K71-K73 VanDerWaalsContact C-N 3.34Å; K71-K73 PolarHBondContact O-N 2.99Å; K71-M74 PolarHBondContact O-N 2.92Å; K71-M74 VanDerWaalsContact O-N 3.17Å; K71-A75 PolarHBondContact O-N 2.84Å; K71-L337 HydrophobicContact CB-CD1 3.86Å; K71-L337 HydrophobicContact CB-CD2 4.28Å; K71-L337 HydrophobicContact CD-CD1 4.41Å; K71-L337 HydrophobicContact CD-CD2 4.25Å; K71-G341 PolarHBondContact NZ-O 3.15Å; K71-L343 HydrophobicContact CB-CD2 4.49Å; K71-L343 HydrophobicContact CD-CD2 3.8Å; K71-L343 HydrophobicContact CG-CD2 3.98Å; K71-Y347 HydrophobicContact CB-CE2 4.45Å; K71-Y347 WeakPolarHBondContact O-CE2 3.4Å; K71-Y347 PolarHBondContact O-OH 3.32Å; K71-Y347 VanDerWaalsContact O-OH 3.08Å; K71-I365 HydrophobicContact CG-CG2 4.37Å; K71-P366 WeakPolarHBondContact CE-O 3.45Å; K71-P366 HydrophobicContact CG-CB 4.15Å; K71-P366 HydrophobicContact CG-CG 4.31Å; K71-P367 WeakPolarHBondContact CE-O 3.35Å; K71-P367 PolarHBondContact NZ-O 3.11Å
72	M	98.9	Very high	98.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.6	-46.1	173	-71.1	173.2	85.5	0	0	112.4	G53 I55 R68 L69 L70 M74 A75 L77 I80 F308	G53-M72 WeakPolarHBondContact O-CE 3.39Å; I55-M72 HydrophobicContact CB-CE 3.94Å; I55-M72 HydrophobicContact CB-SD 3.8Å; I55-M72 HydrophobicContact CD1-SD 3.86Å; I55-M72 HydrophobicContact CG1-SD 4.42Å; I55-M72 HydrophobicContact CG2-CE 3.59Å; I55-M72 HydrophobicContact CG2-SD 3.68Å; R68-M72 VanDerWaalsContact O-CG 3.27Å; R68-M72 WeakPolarHBondContact O-CG 3.35Å; R68-M72 PolarHBondContact O-N 3.49Å; L69-M72 HydrophobicContact CD2-SD 4.28Å; L69-M72 WeakPolarHBondContact O-CB 3.48Å; L69-M72 PolarHBondContact O-N 2.95Å; L70-M72 PolarHBondContact O-N 3.2Å; M72-M74 PolarHBondContact O-N 3.29Å; M72-A75 WeakPolarHBondContact O-CB 3.39Å; M72-A75 PolarHBondContact O-N 2.83Å; M72-L77 HydrophobicContact CB-CD1 3.97Å; M72-L77 HydrophobicContact CE-CD1 4.08Å; M72-L77 HydrophobicContact CG-CD1 4.31Å; M72-L77 WeakPolarHBondContact O-CB 3.37Å; M72-L77 WeakPolarHBondContact O-CG 3.36Å; M72-L77 PolarHBondContact O-N 3.03Å; M72-I80 HydrophobicContact CE-CB 4.01Å; M72-I80 HydrophobicContact CE-CG2 3.46Å; M72-I80 VanDerWaalsContact CE-CG2 3.46Å; M72-I80 HydrophobicContact SD-CG2 4.09Å; M72-F308 HydrophobicContact CB-CD1 4.45Å; M72-F308 HydrophobicContact CB-CE1 4.4Å; M72-F308 HydrophobicContact CE-CB 4.07Å; M72-F308 HydrophobicContact CE-CD1 4.34Å; M72-F308 HydrophobicContact CE-CG 4.35Å; M72-F308 HydrophobicContact CG-CD1 3.46Å; M72-F308 VanDerWaalsContact CG-CD1 3.46Å; M72-F308 HydrophobicContact CG-CE1 3.76Å; M72-F308 HydrophobicContact CG-CG 4.29Å; M72-F308 HydrophobicContact SD-CD1 4.48Å
73	K	98.9	Very high	98.9	Very high	50 Å²	50	21 Å²	21	22%	0.217	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-43.3	175.6	-176.3	59.8	172.5	-175.1	0	112.3	L69 L70 K71 A75 G76 G115 L116 P361	L69-K73 WeakPolarHBondContact O-CB 3.4Å; L69-K73 PolarHBondContact O-N 3.44Å; L70-K73 WeakPolarHBondContact O-CB 3.37Å; L70-K73 PolarHBondContact O-N 2.84Å; K71-K73 VanDerWaalsContact C-N 3.34Å; K71-K73 PolarHBondContact O-N 2.99Å; K73-A75 VanDerWaalsContact C-N 3.27Å; K73-A75 PolarHBondContact O-N 3.06Å; K73-G76 PolarHBondContact O-N 2.97Å; K73-G115 PolarHBondContact NZ-O 3.43Å; K73-L116 HydrophobicContact CB-CD1 4.31Å; K73-L116 HydrophobicContact CB-CD2 4.29Å; K73-L116 HydrophobicContact CB-CG 4.42Å; K73-L116 HydrophobicContact CD-CD2 3.76Å; K73-L116 HydrophobicContact CD-CG 4.09Å; K73-P361 HydrophobicContact CG-CG 4.38Å
74	M	98.9	Very high	98.9	Very high	14 Å²	14	15.8 Å²	15.8	7%	0.069	8%	0.077	C	C	.	.	H	α-helix	trans	-72.1	-16.5	179.7	-66.3	-57.4	-65.3	0	0	113.7	L70 K71 M72 R351 V360 P361 G363 I365	L70-M74 HydrophobicContact CD1-CG 4.24Å; L70-M74 HydrophobicContact CG-CG 4.45Å; L70-M74 WeakPolarHBondContact O-CB 3.39Å; L70-M74 VanDerWaalsContact O-CG 3.24Å; L70-M74 WeakPolarHBondContact O-CG 3.48Å; L70-M74 PolarHBondContact O-N 2.89Å; K71-M74 PolarHBondContact O-N 2.92Å; K71-M74 VanDerWaalsContact O-N 3.17Å; M72-M74 PolarHBondContact O-N 3.29Å; M74-R351 WeakPolarHBondContact O-CD 3.45Å; M74-R351 PolarHBondContact O-NE 2.86Å; M74-V360 VanDerWaalsContact O-CG1 3.22Å; M74-V360 WeakPolarHBondContact O-CG1 3.34Å; M74-P361 HydrophobicContact CE-CB 4.25Å; M74-P361 HydrophobicContact SD-CB 3.73Å; M74-P361 HydrophobicContact SD-CG 4.49Å; M74-G363 WeakPolarHBondContact CE-O 3.23Å; M74-I365 HydrophobicContact CB-CB 4.43Å; M74-I365 HydrophobicContact CB-CG1 4.03Å; M74-I365 HydrophobicContact CB-CG2 4.13Å; M74-I365 HydrophobicContact CE-CG1 4.41Å
75	A	98.8	Very high	98.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.3	167.6	0	0	0	0	0	113.2	K71 M72 K73 F308 Y347 R351	K71-A75 PolarHBondContact O-N 2.84Å; M72-A75 WeakPolarHBondContact O-CB 3.39Å; M72-A75 PolarHBondContact O-N 2.83Å; K73-A75 VanDerWaalsContact C-N 3.27Å; K73-A75 PolarHBondContact O-N 3.06Å; A75-F308 HydrophobicContact CB-CE1 4.42Å; A75-F308 HydrophobicContact CB-CE2 4.16Å; A75-F308 HydrophobicContact CB-CZ 3.52Å; A75-Y347 HydrophobicContact CB-CD2 4.3Å; A75-Y347 HydrophobicContact CB-CE2 3.64Å; A75-Y347 PolarHBondContact N-OH 2.72Å; A75-R351 WeakPolarHBondContact O-CA 3.19Å; A75-R351 WeakPolarHBondContact O-CG 3.47Å
76	G	98.8	Very high	98.9	Very high	9 Å²	9	15.5 Å²	15.5	9%	0.093	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	102	4	-177.5	0	0	0	0	0	114.6	K73	K73-G76 PolarHBondContact O-N 2.97Å
77	L	98.9	Very high	98.9	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.01	5%	0.052	C	C	.	.			trans	-64.7	136.9	174.7	-56.8	-179.9	0	0	0	110.2	I51 M72 L116 L305 F308 I354	I51-L77 HydrophobicContact CB-CD2 4.48Å; I51-L77 HydrophobicContact CG2-CD2 3.8Å; I51-L77 WeakPolarHBondContact O-CA 3.4Å; M72-L77 HydrophobicContact CB-CD1 3.97Å; M72-L77 HydrophobicContact CE-CD1 4.08Å; M72-L77 HydrophobicContact CG-CD1 4.31Å; M72-L77 WeakPolarHBondContact O-CB 3.37Å; M72-L77 WeakPolarHBondContact O-CG 3.36Å; M72-L77 PolarHBondContact O-N 3.03Å; L77-L116 WeakPolarHBondContact O-CD2 3.47Å; L77-L305 HydrophobicContact CD2-CD1 4.25Å; L77-F308 HydrophobicContact CD1-CD1 4.33Å; L77-F308 HydrophobicContact CD1-CD2 3.66Å; L77-F308 HydrophobicContact CD1-CE1 4.44Å; L77-F308 HydrophobicContact CD1-CE2 3.8Å; L77-F308 HydrophobicContact CD1-CG 3.93Å; L77-F308 HydrophobicContact CD1-CZ 4.2Å; L77-F308 HydrophobicContact CG-CE2 4.33Å; L77-I354 HydrophobicContact CD2-CD1 3.96Å
78	N	98.9	Very high	98.9	Very high	31 Å²	31	8.5 Å²	8.5	17%	0.166	4%	0.044	C	C	.	.	S	Bend	trans	-100.8	-11.1	175.2	67.9	16.7	0	0	0	112.3	R49 Y50 I51 L117	R49-N78 PolarHBondContact O-ND2 3.4Å; Y50-N78 VanDerWaalsContact CA-OD1 3.28Å; Y50-N78 WeakPolarHBondContact CA-OD1 3.3Å; I51-N78 PolarHBondContact N-OD1 3.1Å; I51-N78 PolarHBondContact O-N 2.9Å; I51-N78 VanDerWaalsContact O-N 3.08Å; I51-N78 PolarHBondContact O-OD1 3.23Å; N78-L117 PolarHBondContact O-N 3.16Å
79	T	98.9	Very high	98.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	157.1	-172.5	-54.5	0	0	0	0	109.2	Y50 I51 S52 L117 I119 I181	Y50-T79 VanDerWaalsContact CB-OG1 3.27Å; Y50-T79 WeakPolarHBondContact CB-OG1 3.38Å; I51-T79 PolarHBondContact O-N 3.47Å; S52-T79 WeakPolarHBondContact CA-O 3.38Å; T79-L117 CarbonylContact C-O 3.59Å; T79-L117 VanDerWaalsContact CA-O 3.27Å; T79-L117 WeakPolarHBondContact CA-O 3.49Å; T79-L117 HydrophobicContact CG2-CB 4.18Å; T79-I119 HydrophobicContact CG2-CD1 3.83Å; T79-I119 HydrophobicContact CG2-CG1 3.73Å; T79-I181 HydrophobicContact CG2-CD1 4.1Å
80	I	98.9	Very high	98.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.4	166.4	64.2	105.6	0	0	0	110.3	S52 G53 I55 L69 M72 F107 A111 L116 L117 V118 I119	S52-I80 VanDerWaalsContact OG-C 3.3Å; G53-I80 WeakPolarHBondContact O-CA 3.43Å; I55-I80 HydrophobicContact CG2-CB 4.08Å; I55-I80 HydrophobicContact CG2-CD1 3.94Å; L69-I80 HydrophobicContact CD2-CD1 4.37Å; L69-I80 HydrophobicContact CD2-CG1 4.24Å; L69-I80 HydrophobicContact CD2-CG2 4.07Å; M72-I80 HydrophobicContact CE-CB 4.01Å; M72-I80 HydrophobicContact CE-CG2 3.46Å; M72-I80 VanDerWaalsContact CE-CG2 3.46Å; M72-I80 HydrophobicContact SD-CG2 4.09Å; I80-F107 HydrophobicContact CD1-CE1 3.8Å; I80-F107 HydrophobicContact CD1-CZ 4.12Å; I80-A111 HydrophobicContact CD1-CB 4.5Å; I80-A111 HydrophobicContact CG1-CB 4.22Å; I80-L116 HydrophobicContact CG2-CB 4.46Å; I80-L116 HydrophobicContact CG2-CD1 3.86Å; I80-L116 HydrophobicContact CG2-CD2 4.2Å; I80-L116 HydrophobicContact CG2-CG 4.4Å; I80-L117 PolarHBondContact N-O 3.16Å; I80-V118 HydrophobicContact CD1-CG2 3.99Å; I80-V118 HydrophobicContact CG1-CG2 3.96Å; I80-V118 CarbonylContact O-C 3.52Å; I80-V118 WeakPolarHBondContact O-CA 3.5Å; I80-I119 PolarHBondContact O-N 3.36Å
81	Q	99	Very high	98.9	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140	173.9	-173.6	163.4	-75.7	0	0	110	S52 G53 S54 I55 I119 R121 S267 N304	S52-Q81 PolarHBondContact OG-N 3.29Å; G53-Q81 PolarHBondContact O-N 3.48Å; S54-Q81 WeakPolarHBondContact CA-O 3.44Å; I55-Q81 PolarHBondContact N-O 2.84Å; Q81-I119 WeakPolarHBondContact CA-O 3.06Å; Q81-I119 HydrophobicContact CB-CB 4.18Å; Q81-I119 HydrophobicContact CG-CB 4.09Å; Q81-I119 HydrophobicContact CG-CG2 3.99Å; Q81-R121 HydrophobicContact CG-CG 4.01Å; Q81-R121 VanDerWaalsContact NE2-NE 3.19Å; Q81-S267 PolarHBondContact NE2-O 3.34Å; Q81-N304 WeakPolarHBondContact CB-OD1 3.29Å; Q81-N304 PolarHBondContact NE2-ND2 3.44Å
82	T	99	Very high	98.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	142.7	176.6	-153.5	0	0	0	0	111.9	I55 Y57 F107 L108 I119 L120 R121	I55-T82 VanDerWaalsContact O-CB 3.25Å; I55-T82 WeakPolarHBondContact O-CB 3.32Å; I55-T82 PolarHBondContact O-OG1 3.32Å; Y57-T82 HydrophobicContact CD1-CG2 4.3Å; Y57-T82 HydrophobicContact CE1-CG2 4.33Å; T82-F107 HydrophobicContact CG2-CE1 4.14Å; T82-L108 HydrophobicContact CG2-CD2 4.46Å; T82-I119 PolarHBondContact N-O 3.31Å; T82-L120 HydrophobicContact CG2-CD1 4.03Å; T82-R121 PolarHBondContact O-N 3.34Å
83	Y	98.9	Very high	98.9	Very high	5 Å²	5	15 Å²	15	2%	0.02	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	157.6	168.3	-77.4	-60.6	0	0	0	111.3	H56 Y57 R121 I126 A128 N187 E268 Y306	H56-Y83 AromaticContact CE1-CD2 3.59Å; H56-Y83 AromaticContact NE2-CD2 3.36Å; H56-Y83 WeakPolarHBondContact NE2-CD2 3.47Å; Y57-Y83 WeakPolarHBondContact CE1-O 3.39Å; Y83-R121 CarbonylContact C-O 3.58Å; Y83-R121 VanDerWaalsContact CA-O 3.29Å; Y83-R121 WeakPolarHBondContact CA-O 2.98Å; Y83-R121 HydrophobicContact CD1-CB 3.4Å; Y83-R121 HydrophobicContact CD1-CG 4.44Å; Y83-R121 HydrophobicContact CE1-CB 3.81Å; Y83-R121 VanDerWaalsContact CE1-CZ 3.45Å; Y83-R121 VanDerWaalsContact CE1-NE 3.34Å; Y83-R121 HydrophobicContact CG-CB 4.29Å; Y83-R121 PolarHBondContact OH-NH1 2.97Å; Y83-R121 PolarHBondContact OH-NH2 3.49Å; Y83-R121 VanDerWaalsContact OH-NH2 3.07Å; Y83-I126 HydrophobicContact CD1-CB 3.45Å; Y83-I126 VanDerWaalsContact CD1-CB 3.45Å; Y83-I126 HydrophobicContact CD1-CG2 3.46Å; Y83-I126 VanDerWaalsContact CD1-CG2 3.46Å; Y83-I126 HydrophobicContact CD2-CB 4.37Å; Y83-I126 HydrophobicContact CE1-CB 3.72Å; Y83-I126 HydrophobicContact CE1-CG2 4.03Å; Y83-I126 WeakPolarHBondContact CE1-O 3.27Å; Y83-I126 WeakPolarHBondContact CE2-O 3.32Å; Y83-I126 HydrophobicContact CG-CB 3.81Å; Y83-I126 HydrophobicContact CG-CD1 4.15Å; Y83-I126 HydrophobicContact CG-CG2 4.04Å; Y83-I126 PolarHBondContact OH-O 2.67Å; Y83-A128 HydrophobicContact CD2-CB 3.55Å; Y83-A128 HydrophobicContact CE2-CB 3.48Å; Y83-A128 VanDerWaalsContact CE2-CB 3.48Å; Y83-A128 HydrophobicContact CG-CB 4.49Å; Y83-N187 HydrophobicContact CE1-CB 4.38Å; Y83-N187 PolarHBondContact OH-ND2 3.47Å; Y83-N187 PolarHBondContact OH-OD1 3.48Å; Y83-E268 PolarHBondContact OH-OE1 3.02Å; Y83-Y306 AromaticContact CE2-CE2 3.96Å; Y83-Y306 HydrophobicContact CE2-CE2 3.96Å
84	V	99	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.			trans	-114.8	100.6	166.6	-174	0	0	0	0	108.8	Y57 W86 V104 L120 R121 P122 W161 L165	Y57-V84 WeakPolarHBondContact OH-CA 3.35Å; Y57-V84 WeakPolarHBondContact OH-CG1 3.42Å; V84-W86 PolarHBondContact O-N 3.2Å; V84-V104 HydrophobicContact CG2-CG2 4.45Å; V84-L120 HydrophobicContact CG2-CD1 3.83Å; V84-L120 HydrophobicContact CG2-CG 4.39Å; V84-R121 PolarHBondContact N-O 3.5Å; V84-P122 HydrophobicContact CG2-CB 4.35Å; V84-W161 HydrophobicContact CG1-CH2 4.36Å; V84-W161 HydrophobicContact CG1-CZ2 3.87Å; V84-L165 HydrophobicContact CB-CD2 4.29Å; V84-L165 HydrophobicContact CG1-CD1 3.87Å; V84-L165 HydrophobicContact CG1-CD2 3.92Å; V84-L165 HydrophobicContact CG2-CD2 4.49Å
85	P	98.9	Very high	98.8	Very high	2 Å²	2	20 Å²	20	1%	0.013	11%	0.114	C	C	.	.			trans	-72.2	113.5	178.5	-9.9	25	0	0	0	110	N87 F88 H89 I126 W130	P85-N87 VanDerWaalsContact C-N 3.33Å; P85-N87 PolarHBondContact O-N 3.3Å; P85-F88 HydrophobicContact CB-CB 3.92Å; P85-F88 HydrophobicContact CG-CB 4.35Å; P85-F88 WeakPolarHBondContact O-CB 3.19Å; P85-F88 PolarHBondContact O-N 3.23Å; P85-F88 VanDerWaalsContact O-N 3.17Å; P85-H89 PolarHBondContact O-CD2 3.39Å; P85-H89 VanDerWaalsContact O-CD2 3.25Å; P85-I126 HydrophobicContact CB-CD1 3.77Å; P85-I126 HydrophobicContact CG-CD1 3.82Å; P85-W130 HydrophobicContact CB-CD2 4.45Å; P85-W130 HydrophobicContact CB-CZ2 4.29Å; P85-W130 HydrophobicContact CG-CD2 4.44Å; P85-W130 HydrophobicContact CG-CZ2 4.31Å
86	W	98.9	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-42.9	-177.4	175.4	15	0	0	0	111.9	V84 F88 H89 E90 P124 G134 L135 P136 W138 L139 A157 V158 W161	V84-W86 PolarHBondContact O-N 3.2Å; W86-F88 PolarHBondContact O-N 3.25Å; W86-H89 CarbonylContact O-C 3.57Å; W86-H89 PolarHBondContact O-N 2.97Å; W86-E90 PolarHBondContact NE1-OE2 3.35Å; W86-E90 PolarHBondContact O-N 3.2Å; W86-P124 HydrophobicContact CE3-CB 3.96Å; W86-P124 HydrophobicContact CZ3-CB 4.21Å; W86-G134 WeakPolarHBondContact CB-O 3.38Å; W86-G134 PolarHBondContact N-O 2.9Å; W86-L135 HydrophobicContact CE3-CD2 4Å; W86-L135 HydrophobicContact CZ3-CD2 4.18Å; W86-P136 HydrophobicContact CB-CG 4.4Å; W86-P136 HydrophobicContact CD2-CG 3.52Å; W86-P136 VanDerWaalsContact CE3-CD 3.42Å; W86-P136 HydrophobicContact CE3-CG 4.12Å; W86-P136 HydrophobicContact CG-CG 3.64Å; W86-P136 HydrophobicContact CZ2-CG 4.19Å; W86-W138 HydrophobicContact CH2-CH2 4.36Å; W86-W138 AromaticContact CZ2-CH2 3.69Å; W86-W138 HydrophobicContact CZ2-CH2 3.69Å; W86-W138 AromaticContact CZ2-CZ2 3.91Å; W86-W138 HydrophobicContact CZ2-CZ2 3.91Å; W86-L139 HydrophobicContact CH2-CD1 4.16Å; W86-L139 HydrophobicContact CH2-CD2 4.08Å; W86-L139 HydrophobicContact CZ3-CD1 3.94Å; W86-A157 HydrophobicContact CH2-CB 3.83Å; W86-A157 HydrophobicContact CZ2-CB 4.21Å; W86-V158 HydrophobicContact CH2-CG2 3.89Å; W86-V158 HydrophobicContact CZ3-CG2 3.66Å; W86-W161 HydrophobicContact CB-CD2 4.38Å; W86-W161 HydrophobicContact CB-CZ2 4.21Å; W86-W161 AromaticContact CD1-CD1 3.81Å; W86-W161 AromaticContact CD1-CD2 3.23Å; W86-W161 AromaticContact CD1-CE2 3.57Å; W86-W161 AromaticContact CD1-CE3 3.58Å; W86-W161 AromaticContact CD1-CG 3.43Å; W86-W161 VanDerWaalsContact CD1-CG 3.43Å; W86-W161 AromaticContact CD1-NE1 3.88Å; W86-W161 HydrophobicContact CD2-CB 4.09Å; W86-W161 AromaticContact CD2-CD1 3.58Å; W86-W161 HydrophobicContact CD2-CD2 4.3Å; W86-W161 AromaticContact CD2-CG 3.72Å; W86-W161 HydrophobicContact CD2-CG 3.72Å; W86-W161 VanDerWaalsContact CE2-CB 3.44Å; W86-W161 AromaticContact CE2-CD1 3.89Å; W86-W161 AromaticContact CE2-CG 3.55Å; W86-W161 HydrophobicContact CG-CB 4.45Å; W86-W161 AromaticContact CG-CD1 3.58Å; W86-W161 AromaticContact CG-CD2 3.75Å; W86-W161 HydrophobicContact CG-CD2 3.75Å; W86-W161 AromaticContact CG-CE2 3.71Å; W86-W161 HydrophobicContact CG-CE3 4.48Å; W86-W161 AromaticContact CG-CG 3.69Å; W86-W161 HydrophobicContact CG-CG 3.69Å; W86-W161 HydrophobicContact CG-CZ2 4.42Å; W86-W161 AromaticContact CG-NE1 3.59Å; W86-W161 HydrophobicContact CH2-CB 4.43Å; W86-W161 HydrophobicContact CZ2-CB 3.64Å; W86-W161 HydrophobicContact CZ2-CG 4.22Å; W86-W161 AromaticContact NE1-CD2 3.56Å; W86-W161 AromaticContact NE1-CE3 3.86Å; W86-W161 AromaticContact NE1-CG 3.36Å
87	N	98.9	Very high	98.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-18.4	178.5	64	8.9	0	0	0	115.7	P85 W130 E131 G134 L135 P136 W317	P85-N87 VanDerWaalsContact C-N 3.33Å; P85-N87 PolarHBondContact O-N 3.3Å; N87-W130 PolarHBondContact OD1-NE1 2.8Å; N87-E131 PolarHBondContact ND2-O 2.88Å; N87-G134 WeakPolarHBondContact CB-O 3.48Å; N87-G134 VanDerWaalsContact CG-O 3.3Å; N87-G134 PolarHBondContact N-O 2.91Å; N87-L135 PolarHBondContact ND2-O 3.14Å; N87-L135 VanDerWaalsContact ND2-O 3.09Å; N87-P136 HydrophobicContact CB-CB 4.25Å; N87-P136 HydrophobicContact CB-CG 4.22Å; N87-W317 HydrophobicContact CB-CZ3 4.47Å
88	F	98.9	Very high	98.8	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.035	15%	0.148	C	C	.	.	H	α-helix	trans	-78.2	-24.2	170.6	-171.3	-117.6	0	0	0	111.7	Y57 P85 W86 Q97 D101 H102 W130 W317	Y57-F88 HydrophobicContact CD2-CE1 4.34Å; Y57-F88 HydrophobicContact CE2-CD1 4.16Å; Y57-F88 AromaticContact CE2-CE1 3.99Å; Y57-F88 HydrophobicContact CE2-CE1 3.99Å; P85-F88 HydrophobicContact CB-CB 3.92Å; P85-F88 HydrophobicContact CG-CB 4.35Å; P85-F88 WeakPolarHBondContact O-CB 3.19Å; P85-F88 PolarHBondContact O-N 3.23Å; P85-F88 VanDerWaalsContact O-N 3.17Å; W86-F88 PolarHBondContact O-N 3.25Å; F88-Q97 PolarHBondContact O-OE1 3.11Å; F88-D101 WeakPolarHBondContact CE1-O 3.32Å; F88-H102 AromaticContact CD1-CD2 3.66Å; F88-H102 AromaticContact CD2-CD2 3.71Å; F88-H102 AromaticContact CD2-NE2 3.84Å; F88-H102 HydrophobicContact CE1-CB 4.11Å; F88-H102 AromaticContact CE1-CD2 3.38Å; F88-H102 WeakPolarHBondContact CE1-CD2 3.5Å; F88-H102 AromaticContact CE1-CG 3.87Å; F88-H102 AromaticContact CE2-CD2 3.43Å; F88-H102 VanDerWaalsContact CE2-CD2 3.43Å; F88-H102 WeakPolarHBondContact CE2-CD2 3.45Å; F88-H102 AromaticContact CE2-NE2 3.33Å; F88-H102 VanDerWaalsContact CE2-NE2 3.33Å; F88-H102 WeakPolarHBondContact CE2-NE2 3.33Å; F88-H102 AromaticContact CG-CD2 3.82Å; F88-H102 AromaticContact CZ-CD2 3.25Å; F88-H102 WeakPolarHBondContact CZ-CD2 3.33Å; F88-H102 AromaticContact CZ-CG 3.88Å; F88-H102 AromaticContact CZ-NE2 3.5Å; F88-H102 WeakPolarHBondContact CZ-NE2 3.33Å; F88-H102 PolarHBondContact O-CD2 3.21Å; F88-H102 VanDerWaalsContact O-CD2 3.28Å; F88-W130 HydrophobicContact CB-CZ2 4.12Å; F88-W130 HydrophobicContact CD2-CH2 4.25Å; F88-W130 AromaticContact CD2-CZ2 3.95Å; F88-W130 HydrophobicContact CD2-CZ2 3.95Å; F88-W130 HydrophobicContact CG-CZ2 4.23Å; F88-W317 AromaticContact CD2-CE2 3.87Å; F88-W317 HydrophobicContact CD2-CH2 4.36Å; F88-W317 AromaticContact CD2-CZ2 3.77Å; F88-W317 HydrophobicContact CD2-CZ2 3.77Å; F88-W317 HydrophobicContact CE2-CZ2 4.47Å
89	H	98.9	Very high	98.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-105.4	-23.1	-178.3	-68.4	-64.1	0	0	0	114.6	Y57 P85 W86 Y96 Q97 F98 H102 W161	Y57-H89 AromaticContact CE2-CE1 3.92Å; Y57-H89 AromaticContact CE2-NE2 3.63Å; Y57-H89 AromaticContact CZ-NE2 3.56Å; Y57-H89 PolarHBondContact OH-NE2 3.02Å; P85-H89 PolarHBondContact O-CD2 3.39Å; P85-H89 VanDerWaalsContact O-CD2 3.25Å; W86-H89 CarbonylContact O-C 3.57Å; W86-H89 PolarHBondContact O-N 2.97Å; H89-Y96 CarbonylContact O-C 3.59Å; H89-Y96 WeakPolarHBondContact O-CA 3.14Å; H89-Q97 PolarHBondContact ND1-O 3.4Å; H89-Q97 PolarHBondContact O-N 3.5Å; H89-F98 HydrophobicContact CB-CE1 4.34Å; H89-F98 HydrophobicContact CB-CZ 4.15Å; H89-F98 AromaticContact CG-CE1 3.92Å; H89-F98 AromaticContact ND1-CD1 3.69Å; H89-F98 AromaticContact ND1-CE1 3.61Å; H89-H102 PolarHBondContact CE1-O 3.31Å; H89-W161 HydrophobicContact CB-CH2 3.31Å; H89-W161 HydrophobicContact CB-CZ2 4.29Å; H89-W161 HydrophobicContact CB-CZ3 3.64Å; H89-W161 AromaticContact CD2-CH2 3.96Å; H89-W161 AromaticContact CG-CH2 3.81Å
90	E	98.9	Very high	98.8	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.019	19%	0.193	C	C	.	.			trans	-132	68	176.6	-167.6	171.4	-159.4	0	0	110.6	W86 W92 G94 Q95 Y96 W138	W86-E90 PolarHBondContact NE1-OE2 3.35Å; W86-E90 PolarHBondContact O-N 3.2Å; E90-W92 WeakPolarHBondContact CG-O 3.47Å; E90-W92 PolarHBondContact O-N 2.7Å; E90-G94 PolarHBondContact OE1-N 2.96Å; E90-Q95 WeakPolarHBondContact CA-O 3.15Å; E90-Y96 HydrophobicContact CB-CD1 4.03Å; E90-Y96 HydrophobicContact CB-CE1 3.87Å; E90-Y96 HydrophobicContact CG-CD1 4.08Å; E90-Y96 HydrophobicContact CG-CE1 3.61Å; E90-Y96 WeakPolarHBondContact OE1-CE1 3.33Å; E90-Y96 VanDerWaalsContact OE1-CZ 3.27Å; E90-Y96 PolarHBondContact OE1-OH 3.4Å; E90-W138 HydrophobicContact CG-CZ2 4.02Å; E90-W138 PolarHBondContact O-NE1 2.92Å
91	P	98.3	Very high	98.8	Very high	19 Å²	19	38.5 Å²	38.5	12%	0.123	20%	0.203	C	C	.	.	S	Bend	trans	-61.9	-23.1	179.7	25.7	-36.4	0	0	0	113.4	Q95 Q97	P91-Q95 WeakPolarHBondContact CD-O 3.27Å; P91-Q97 HydrophobicContact CG-CG 4.35Å
92	W	98.5	Very high	98.8	Very high	97 Å²	97	40.4 Å²	40.4	37%	0.367	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-135.6	149.4	170	-64	94.4	0	0	0	109.7	E90 G94 Q95 K410 Y412	E90-W92 WeakPolarHBondContact CG-O 3.47Å; E90-W92 PolarHBondContact O-N 2.7Å; W92-G94 PolarHBondContact O-N 3.16Å; W92-G94 VanDerWaalsContact O-N 3.16Å; W92-Q95 HydrophobicContact CB-CB 4.06Å; W92-Q95 HydrophobicContact CB-CG 4.01Å; W92-Q95 PolarHBondContact O-N 2.94Å; W92-K410 HydrophobicContact CH2-CB 4.12Å; W92-K410 WeakPolarHBondContact CH2-O 3.38Å; W92-K410 HydrophobicContact CZ3-CB 4.41Å; W92-Y412 AromaticContact CD2-CE2 3.81Å; W92-Y412 HydrophobicContact CD2-CE2 3.81Å; W92-Y412 AromaticContact CE2-CE2 3.91Å; W92-Y412 AromaticContact CE3-CE2 3.61Å; W92-Y412 HydrophobicContact CE3-CE2 3.61Å; W92-Y412 AromaticContact CE3-CZ 3.93Å; W92-Y412 HydrophobicContact CH2-CD2 4.49Å; W92-Y412 AromaticContact CH2-CE2 3.65Å; W92-Y412 HydrophobicContact CH2-CE2 3.65Å; W92-Y412 AromaticContact CH2-CZ 3.92Å; W92-Y412 HydrophobicContact CZ2-CD2 4.38Å; W92-Y412 AromaticContact CZ2-CE2 3.83Å; W92-Y412 HydrophobicContact CZ2-CE2 3.83Å; W92-Y412 AromaticContact CZ3-CE2 3.55Å; W92-Y412 HydrophobicContact CZ3-CE2 3.55Å; W92-Y412 AromaticContact CZ3-CZ 3.58Å; W92-Y412 WeakPolarHBondContact CZ3-OH 3.29Å
93	P	98.5	Very high	98.8	Very high	74 Å²	74	41.5 Å²	41.5	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	121.4	179.9	-23.1	31.3	0	0	0	112.3	Q95 W138	P93-Q95 VanDerWaalsContact C-N 3.27Å; P93-Q95 PolarHBondContact O-N 2.83Å; P93-W138 HydrophobicContact CG-CB 4.37Å; P93-W138 HydrophobicContact CG-CD2 3.6Å; P93-W138 HydrophobicContact CG-CE3 3.8Å; P93-W138 HydrophobicContact CG-CG 3.88Å; P93-W138 HydrophobicContact CG-CZ2 4.4Å; P93-W138 HydrophobicContact CG-CZ3 4.28Å
94	G	98.4	Very high	98.8	Very high	48 Å²	48	41.3 Å²	41.3	50%	0.495	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	0.1	-179.2	0	0	0	0	0	116.2	E90 W92	E90-G94 PolarHBondContact OE1-N 2.96Å; W92-G94 PolarHBondContact O-N 3.16Å; W92-G94 VanDerWaalsContact O-N 3.16Å
95	Q	98.8	Very high	98.8	Very high	120 Å²	120	43.1 Å²	43.1	56%	0.561	23%	0.226	S	C	*	.	B	Isolated β-bridge	trans	-101.3	108.5	174.2	-61.6	-171.5	-0.1	0	0	109.9	E90 P91 W92 P93	E90-Q95 WeakPolarHBondContact CA-O 3.15Å; P91-Q95 WeakPolarHBondContact CD-O 3.27Å; W92-Q95 HydrophobicContact CB-CB 4.06Å; W92-Q95 HydrophobicContact CB-CG 4.01Å; W92-Q95 PolarHBondContact O-N 2.94Å; P93-Q95 VanDerWaalsContact C-N 3.27Å; P93-Q95 PolarHBondContact O-N 2.83Å
96	Y	98.8	Very high	98.8	Very high	84 Å²	84	46.6 Å²	46.6	33%	0.329	24%	0.239	S	C	.	.			trans	-104.7	137.4	-171.7	-59.9	-71	0	0	0	114.3	H89 E90 F98 W161 V164	H89-Y96 CarbonylContact O-C 3.59Å; H89-Y96 WeakPolarHBondContact O-CA 3.14Å; E90-Y96 HydrophobicContact CB-CD1 4.03Å; E90-Y96 HydrophobicContact CB-CE1 3.87Å; E90-Y96 HydrophobicContact CG-CD1 4.08Å; E90-Y96 HydrophobicContact CG-CE1 3.61Å; E90-Y96 WeakPolarHBondContact OE1-CE1 3.33Å; E90-Y96 VanDerWaalsContact OE1-CZ 3.27Å; E90-Y96 PolarHBondContact OE1-OH 3.4Å; Y96-F98 HydrophobicContact CD1-CE2 4.2Å; Y96-F98 HydrophobicContact CG-CE2 4.27Å; Y96-W161 HydrophobicContact CD1-CZ3 4.36Å; Y96-W161 HydrophobicContact CE1-CE3 4.22Å; Y96-W161 HydrophobicContact CE1-CZ3 4.45Å; Y96-V164 HydrophobicContact CD1-CG1 4.16Å; Y96-V164 HydrophobicContact CD2-CG1 4.43Å; Y96-V164 HydrophobicContact CE1-CB 4.37Å; Y96-V164 HydrophobicContact CE1-CG1 4.2Å; Y96-V164 HydrophobicContact CE1-CG2 4.27Å; Y96-V164 HydrophobicContact CE2-CG1 4.46Å; Y96-V164 HydrophobicContact CE2-CG2 3.96Å; Y96-V164 HydrophobicContact CG-CG1 4.3Å
97	Q	98.8	Very high	98.8	Very high	81 Å²	81	46.6 Å²	46.6	38%	0.379	24%	0.239	S	C	.	.			trans	-112.2	111.6	173.8	-67.2	179.8	-24.8	0	0	109.7	F88 H89 P91 H102	F88-Q97 PolarHBondContact O-OE1 3.11Å; H89-Q97 PolarHBondContact ND1-O 3.4Å; H89-Q97 PolarHBondContact O-N 3.5Å; P91-Q97 HydrophobicContact CG-CG 4.35Å; Q97-H102 HydrophobicContact CB-CB 4.11Å; Q97-H102 WeakPolarHBondContact O-CB 3.5Å
98	F	98.9	Very high	98.8	Very high	25 Å²	25	46.6 Å²	46.6	11%	0.11	24%	0.239	C	C	.	.			trans	-139.2	35.3	179.9	-74.7	-72.5	0	0	0	111.8	H89 Y96 H102 V104 W161 V164 L165 K168	H89-F98 HydrophobicContact CB-CE1 4.34Å; H89-F98 HydrophobicContact CB-CZ 4.15Å; H89-F98 AromaticContact CG-CE1 3.92Å; H89-F98 AromaticContact ND1-CD1 3.69Å; H89-F98 AromaticContact ND1-CE1 3.61Å; Y96-F98 HydrophobicContact CD1-CE2 4.2Å; Y96-F98 HydrophobicContact CG-CE2 4.27Å; F98-H102 WeakPolarHBondContact CA-O 3.44Å; F98-V104 HydrophobicContact CD1-CG1 4.02Å; F98-V104 HydrophobicContact CE1-CG1 3.99Å; F98-W161 HydrophobicContact CE1-CH2 4.39Å; F98-W161 HydrophobicContact CE2-CZ3 4.33Å; F98-W161 AromaticContact CZ-CH2 3.81Å; F98-W161 HydrophobicContact CZ-CH2 3.81Å; F98-W161 AromaticContact CZ-CZ3 3.74Å; F98-W161 HydrophobicContact CZ-CZ3 3.74Å; F98-V164 HydrophobicContact CE2-CG1 3.89Å; F98-V164 HydrophobicContact CZ-CG1 4.35Å; F98-L165 HydrophobicContact CE1-CD1 4.28Å; F98-L165 HydrophobicContact CZ-CD1 4.47Å; F98-K168 HydrophobicContact CD1-CD 4.29Å; F98-K168 HydrophobicContact CD2-CD 4.42Å; F98-K168 HydrophobicContact CE1-CD 4.01Å; F98-K168 HydrophobicContact CE2-CD 4.16Å; F98-K168 HydrophobicContact CG-CD 4.48Å; F98-K168 HydrophobicContact CZ-CD 3.94Å
99	S	98.8	Very high	98.8	Very high	79 Å²	79	50.6 Å²	50.6	55%	0.552	25%	0.254	S	S	*	.	S	Bend	trans	-138.6	157.3	-176	-56.2	0	0	0	0	110.8	D101 H102	S99-D101 PolarHBondContact O-N 3.48Å; S99-H102 WeakPolarHBondContact O-CB 3.48Å; S99-H102 PolarHBondContact O-N 2.88Å; S99-H102 PolarHBondContact O-ND1 2.82Å
100	E	98.4	Very high	98.8	Very high	120 Å²	120	50.8 Å²	50.8	56%	0.561	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	47.8	-124.3	-170.6	-53.6	-39.9	120	0	0	112.6	R62 W65 H102 D103	R62-E100 IonicContact CZ-OE2 3.7Å; R62-E100 VanDerWaalsContact NH1-CD 3.27Å; R62-E100 IonicContact NH1-OE1 2.7Å; R62-E100 PolarHBondContact NH1-OE1 2.83Å; R62-E100 IonicContact NH1-OE2 3.93Å; R62-E100 PolarHBondContact NH1-OE2 2.62Å; W65-E100 WeakPolarHBondContact CH2-O 3.34Å; E100-H102 PolarHBondContact O-N 2.8Å; E100-D103 VanDerWaalsContact O-CB 3.31Å; E100-D103 WeakPolarHBondContact O-CB 3.22Å; E100-D103 PolarHBondContact O-N 2.73Å
101	D	98.6	Very high	98.8	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.1	-11.5	-179.7	-60.5	-42.5	0	0	0	113.8	R62 W65 F88 S99	R62-D101 VanDerWaalsContact CB-OD1 3.22Å; R62-D101 WeakPolarHBondContact CB-OD1 3.29Å; R62-D101 PolarHBondContact N-OD1 3.17Å; W65-D101 WeakPolarHBondContact CZ2-O 3.41Å; F88-D101 WeakPolarHBondContact CE1-O 3.32Å; S99-D101 PolarHBondContact O-N 3.48Å
102	H	98.9	Very high	98.8	Very high	41 Å²	41	53 Å²	53	19%	0.19	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-99.3	2.3	177	-42.3	77	0	0	0	112.6	F88 H89 Q97 F98 S99 E100 V104	F88-H102 AromaticContact CD1-CD2 3.66Å; F88-H102 AromaticContact CD2-CD2 3.71Å; F88-H102 AromaticContact CD2-NE2 3.84Å; F88-H102 HydrophobicContact CE1-CB 4.11Å; F88-H102 AromaticContact CE1-CD2 3.38Å; F88-H102 WeakPolarHBondContact CE1-CD2 3.5Å; F88-H102 AromaticContact CE1-CG 3.87Å; F88-H102 AromaticContact CE2-CD2 3.43Å; F88-H102 VanDerWaalsContact CE2-CD2 3.43Å; F88-H102 WeakPolarHBondContact CE2-CD2 3.45Å; F88-H102 AromaticContact CE2-NE2 3.33Å; F88-H102 VanDerWaalsContact CE2-NE2 3.33Å; F88-H102 WeakPolarHBondContact CE2-NE2 3.33Å; F88-H102 AromaticContact CG-CD2 3.82Å; F88-H102 AromaticContact CZ-CD2 3.25Å; F88-H102 WeakPolarHBondContact CZ-CD2 3.33Å; F88-H102 AromaticContact CZ-CG 3.88Å; F88-H102 AromaticContact CZ-NE2 3.5Å; F88-H102 WeakPolarHBondContact CZ-NE2 3.33Å; F88-H102 PolarHBondContact O-CD2 3.21Å; F88-H102 VanDerWaalsContact O-CD2 3.28Å; H89-H102 PolarHBondContact CE1-O 3.31Å; Q97-H102 HydrophobicContact CB-CB 4.11Å; Q97-H102 WeakPolarHBondContact O-CB 3.5Å; F98-H102 WeakPolarHBondContact CA-O 3.44Å; S99-H102 WeakPolarHBondContact O-CB 3.48Å; S99-H102 PolarHBondContact O-N 2.88Å; S99-H102 PolarHBondContact O-ND1 2.82Å; E100-H102 PolarHBondContact O-N 2.8Å; H102-V104 VanDerWaalsContact C-N 3.27Å; H102-V104 PolarHBondContact O-N 2.87Å
103	D	98.9	Very high	98.8	Very high	23 Å²	23	55 Å²	55	12%	0.123	28%	0.277	C	S	.	.			trans	-79.3	69.7	-179.9	-168.3	-9.3	0	0	0	112.1	R62 W65 E100 E105 Y106 F107 R109	R62-D103 IonicContact CZ-OD2 2.74Å; R62-D103 IonicContact NH2-OD2 3.25Å; R62-D103 PolarHBondContact NH2-OD2 3.44Å; W65-D103 WeakPolarHBondContact CZ3-O 3.5Å; E100-D103 VanDerWaalsContact O-CB 3.31Å; E100-D103 WeakPolarHBondContact O-CB 3.22Å; E100-D103 PolarHBondContact O-N 2.73Å; D103-E105 PolarHBondContact O-N 2.86Å; D103-Y106 PolarHBondContact O-N 2.76Å; D103-Y106 VanDerWaalsContact O-N 3.1Å; D103-Y106 VanDerWaalsContact OD1-CB 3.29Å; D103-Y106 WeakPolarHBondContact OD1-CB 3.32Å; D103-Y106 PolarHBondContact OD1-N 3.18Å; D103-Y106 WeakPolarHBondContact OD2-CB 3.48Å; D103-F107 PolarHBondContact O-N 3.15Å; D103-R109 IonicContact OD1-NH2 3.42Å
104	V	98.9	Very high	98.8	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-32.8	175.7	63.6	0	0	0	0	112.1	Y57 V84 F98 H102 Y106 F107 L108 M169	Y57-V104 HydrophobicContact CD1-CG2 4.17Å; Y57-V104 HydrophobicContact CE1-CB 4.07Å; Y57-V104 HydrophobicContact CE1-CG2 3.51Å; Y57-V104 HydrophobicContact CE2-CB 3.94Å; Y57-V104 HydrophobicContact CE2-CG2 4.32Å; V84-V104 HydrophobicContact CG2-CG2 4.45Å; F98-V104 HydrophobicContact CD1-CG1 4.02Å; F98-V104 HydrophobicContact CE1-CG1 3.99Å; H102-V104 VanDerWaalsContact C-N 3.27Å; H102-V104 PolarHBondContact O-N 2.87Å; V104-Y106 PolarHBondContact O-N 3.33Å; V104-F107 PolarHBondContact O-N 3.11Å; V104-L108 HydrophobicContact CG2-CD1 4.02Å; V104-L108 HydrophobicContact CG2-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.48Å; V104-L108 WeakPolarHBondContact O-CG 3.2Å; V104-L108 PolarHBondContact O-N 2.96Å; V104-M169 HydrophobicContact CG1-CE 4.06Å
105	E	98.9	Very high	98.8	Very high	39 Å²	39	52.8 Å²	52.8	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-40.7	177.2	-57	-179	-147.9	0	0	111.7	D103 R109 K168 M169 L172	D103-E105 PolarHBondContact O-N 2.86Å; E105-R109 VanDerWaalsContact C-CZ 3.49Å; E105-R109 VanDerWaalsContact O-CG 3.32Å; E105-R109 WeakPolarHBondContact O-CG 3.46Å; E105-R109 PolarHBondContact O-N 3.28Å; E105-R109 PolarHBondContact O-NE 3.45Å; E105-R109 IonicContact OE2-NH1 2.7Å; E105-R109 PolarHBondContact OE2-NH1 2.68Å; E105-R109 VanDerWaalsContact OE2-NH1 3.16Å; E105-K168 HydrophobicContact CG-CB 4.21Å; E105-K168 WeakPolarHBondContact OE1-CD 3.39Å; E105-K168 WeakPolarHBondContact OE1-CG 3.26Å; E105-K168 IonicContact OE1-NZ 3.81Å; E105-K168 PolarHBondContact OE1-NZ 3.38Å; E105-M169 HydrophobicContact CG-CE 4.17Å; E105-L172 HydrophobicContact CB-CD1 4.38Å
106	Y	98.9	Very high	98.8	Very high	74 Å²	74	47 Å²	47	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-68.5	-41.3	173.7	177	-100.9	0	0	0	112	R62 W65 D103 V104 L108 R109 L110	R62-Y106 VanDerWaalsContact NH2-CG 3.29Å; W65-Y106 AromaticContact CE3-CD1 3.89Å; W65-Y106 HydrophobicContact CE3-CD1 3.89Å; W65-Y106 HydrophobicContact CE3-CE1 4.31Å; W65-Y106 AromaticContact CZ3-CD1 3.85Å; W65-Y106 HydrophobicContact CZ3-CD1 3.85Å; D103-Y106 PolarHBondContact O-N 2.76Å; D103-Y106 VanDerWaalsContact O-N 3.1Å; D103-Y106 VanDerWaalsContact OD1-CB 3.29Å; D103-Y106 WeakPolarHBondContact OD1-CB 3.32Å; D103-Y106 PolarHBondContact OD1-N 3.18Å; D103-Y106 WeakPolarHBondContact OD2-CB 3.48Å; V104-Y106 PolarHBondContact O-N 3.33Å; Y106-L108 VanDerWaalsContact C-N 3.27Å; Y106-L108 PolarHBondContact O-N 3.39Å; Y106-R109 VanDerWaalsContact N-NH2 3.15Å; Y106-R109 PolarHBondContact O-N 3.02Å; Y106-L110 HydrophobicContact CE1-CD2 4.06Å; Y106-L110 VanDerWaalsContact O-CB 3.26Å; Y106-L110 WeakPolarHBondContact O-CB 3.33Å; Y106-L110 PolarHBondContact O-N 3.01Å
107	F	98.9	Very high	98.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-45.9	174.6	179.3	-107.7	0	0	0	111.8	I55 Y57 W65 L69 I80 T82 D103 V104 L110 A111	I55-F107 HydrophobicContact CD1-CE2 4.17Å; I55-F107 HydrophobicContact CD1-CZ 4.13Å; I55-F107 HydrophobicContact CG1-CE2 4.5Å; I55-F107 HydrophobicContact CG1-CZ 4.1Å; I55-F107 HydrophobicContact CG2-CZ 3.84Å; Y57-F107 AromaticContact CD1-CD1 3.86Å; Y57-F107 HydrophobicContact CD1-CD1 3.86Å; Y57-F107 HydrophobicContact CD1-CE1 4.2Å; Y57-F107 HydrophobicContact CD1-CG 4.36Å; Y57-F107 HydrophobicContact CG-CD1 4.18Å; Y57-F107 HydrophobicContact CG-CG 4.23Å; W65-F107 HydrophobicContact CB-CD2 4.04Å; W65-F107 HydrophobicContact CB-CE2 4.29Å; W65-F107 HydrophobicContact CD2-CB 4.29Å; W65-F107 AromaticContact CD2-CD2 3.58Å; W65-F107 HydrophobicContact CD2-CD2 3.58Å; W65-F107 HydrophobicContact CD2-CE2 4.41Å; W65-F107 HydrophobicContact CD2-CG 4.37Å; W65-F107 HydrophobicContact CE3-CB 3.74Å; W65-F107 AromaticContact CE3-CD2 3.82Å; W65-F107 HydrophobicContact CE3-CD2 3.82Å; W65-F107 HydrophobicContact CE3-CG 4.28Å; W65-F107 AromaticContact CG-CD2 3.68Å; W65-F107 HydrophobicContact CG-CD2 3.68Å; W65-F107 HydrophobicContact CG-CE2 4.08Å; W65-F107 HydrophobicContact CH2-CB 4.29Å; W65-F107 HydrophobicContact CZ3-CB 3.74Å; L69-F107 HydrophobicContact CD1-CD2 4.22Å; L69-F107 HydrophobicContact CD1-CE2 3.83Å; L69-F107 HydrophobicContact CD1-CZ 4.41Å; L69-F107 HydrophobicContact CD2-CE2 4.16Å; L69-F107 HydrophobicContact CD2-CZ 4.02Å; L69-F107 HydrophobicContact CG-CE2 4.1Å; L69-F107 HydrophobicContact CG-CZ 4.47Å; I80-F107 HydrophobicContact CD1-CE1 3.8Å; I80-F107 HydrophobicContact CD1-CZ 4.12Å; T82-F107 HydrophobicContact CG2-CE1 4.14Å; D103-F107 PolarHBondContact O-N 3.15Å; V104-F107 PolarHBondContact O-N 3.11Å; F107-L110 PolarHBondContact O-N 2.9Å; F107-A111 PolarHBondContact O-N 2.92Å
108	L	98.9	Very high	98.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-42.8	178	-65.8	172.5	0	0	0	112.4	T82 V104 Y106 L110 A111 H112 V118 L120 M169 L172 I180	T82-L108 HydrophobicContact CG2-CD2 4.46Å; V104-L108 HydrophobicContact CG2-CD1 4.02Å; V104-L108 HydrophobicContact CG2-CG 4.3Å; V104-L108 WeakPolarHBondContact O-CB 3.48Å; V104-L108 WeakPolarHBondContact O-CG 3.2Å; V104-L108 PolarHBondContact O-N 2.96Å; Y106-L108 VanDerWaalsContact C-N 3.27Å; Y106-L108 PolarHBondContact O-N 3.39Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 2.87Å; L108-A111 PolarHBondContact O-N 3.09Å; L108-H112 PolarHBondContact O-N 2.64Å; L108-V118 HydrophobicContact CD2-CB 4.15Å; L108-V118 HydrophobicContact CD2-CG1 3.61Å; L108-V118 HydrophobicContact CD2-CG2 3.73Å; L108-L120 HydrophobicContact CD1-CD1 4.25Å; L108-L120 HydrophobicContact CD2-CD1 4.35Å; L108-M169 HydrophobicContact CD1-CE 4Å; L108-M169 HydrophobicContact CD1-SD 3.52Å; L108-M169 VanDerWaalsContact CD1-SD 3.52Å; L108-L172 HydrophobicContact CB-CD1 3.96Å; L108-L172 HydrophobicContact CD1-CD1 3.76Å; L108-I180 HydrophobicContact CD1-CD1 4.28Å
109	R	98.9	Very high	98.9	Very high	93 Å²	93	38.8 Å²	38.8	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-42	173.1	-74.5	-179.5	-67.2	-105.1	0.2	111.7	D103 E105 Y106 H112 E113 L172	D103-R109 IonicContact OD1-NH2 3.42Å; E105-R109 VanDerWaalsContact C-CZ 3.49Å; E105-R109 VanDerWaalsContact O-CG 3.32Å; E105-R109 WeakPolarHBondContact O-CG 3.46Å; E105-R109 PolarHBondContact O-N 3.28Å; E105-R109 PolarHBondContact O-NE 3.45Å; E105-R109 IonicContact OE2-NH1 2.7Å; E105-R109 PolarHBondContact OE2-NH1 2.68Å; E105-R109 VanDerWaalsContact OE2-NH1 3.16Å; Y106-R109 VanDerWaalsContact N-NH2 3.15Å; Y106-R109 PolarHBondContact O-N 3.02Å; R109-H112 CarbonylContact O-C 3.56Å; R109-H112 WeakPolarHBondContact O-CA 3.22Å; R109-H112 VanDerWaalsContact O-CB 3.31Å; R109-H112 WeakPolarHBondContact O-CB 3.3Å; R109-H112 PolarHBondContact O-N 3.49Å; R109-H112 VanDerWaalsContact O-N 3.08Å; R109-E113 WeakPolarHBondContact O-CG 3.31Å; R109-E113 PolarHBondContact O-N 3.11Å; R109-L172 HydrophobicContact CG-CD2 3.85Å
110	L	98.9	Very high	98.9	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-39.5	178.3	179.6	62.5	0	0	0	112.5	W65 K66 L69 Y106 F107 L108 H112 E113 L114	W65-L110 HydrophobicContact CB-CD2 3.8Å; K66-L110 HydrophobicContact CB-CD1 4.22Å; K66-L110 HydrophobicContact CB-CD2 4.03Å; K66-L110 HydrophobicContact CD-CD1 4.21Å; K66-L110 HydrophobicContact CG-CD1 4.12Å; L69-L110 HydrophobicContact CD1-CB 4.43Å; L69-L110 HydrophobicContact CD1-CD2 4.08Å; L69-L110 HydrophobicContact CD1-CG 3.96Å; Y106-L110 HydrophobicContact CE1-CD2 4.06Å; Y106-L110 VanDerWaalsContact O-CB 3.26Å; Y106-L110 WeakPolarHBondContact O-CB 3.33Å; Y106-L110 PolarHBondContact O-N 3.01Å; F107-L110 PolarHBondContact O-N 2.9Å; L108-L110 VanDerWaalsContact C-N 3.32Å; L108-L110 PolarHBondContact O-N 2.87Å; L110-H112 VanDerWaalsContact C-N 3.29Å; L110-H112 PolarHBondContact O-N 3.48Å; L110-E113 PolarHBondContact O-N 3.03Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 3.47Å; L110-L114 VanDerWaalsContact O-N 3.17Å
111	A	98.9	Very high	98.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.4	-41.1	170	0	0	0	0	0	111.3	L69 I80 F107 L108 L114 G115 L116 V118	L69-A111 HydrophobicContact CD1-CB 4.24Å; L69-A111 HydrophobicContact CD2-CB 4.29Å; I80-A111 HydrophobicContact CD1-CB 4.5Å; I80-A111 HydrophobicContact CG1-CB 4.22Å; F107-A111 PolarHBondContact O-N 2.92Å; L108-A111 PolarHBondContact O-N 3.09Å; A111-L114 PolarHBondContact O-N 3.04Å; A111-G115 PolarHBondContact O-N 3.04Å; A111-L116 HydrophobicContact CB-CB 4.36Å; A111-L116 WeakPolarHBondContact O-CB 3.48Å; A111-L116 PolarHBondContact O-N 3.49Å; A111-V118 HydrophobicContact CB-CG2 4.13Å
112	H	98.8	Very high	98.9	Very high	71 Å²	71	27.4 Å²	27.4	33%	0.329	14%	0.135	S	C	.	.	H	α-helix	trans	-65	-43	176.8	-162.9	46.2	0	0	0	113.1	L108 R109 L110 L114 G115 G177 P179	L108-H112 PolarHBondContact O-N 2.64Å; R109-H112 CarbonylContact O-C 3.56Å; R109-H112 WeakPolarHBondContact O-CA 3.22Å; R109-H112 VanDerWaalsContact O-CB 3.31Å; R109-H112 WeakPolarHBondContact O-CB 3.3Å; R109-H112 PolarHBondContact O-N 3.49Å; R109-H112 VanDerWaalsContact O-N 3.08Å; L110-H112 VanDerWaalsContact C-N 3.29Å; L110-H112 PolarHBondContact O-N 3.48Å; H112-L114 PolarHBondContact O-N 2.04Å; H112-G115 WeakPolarHBondContact O-CA 3.46Å; H112-G115 PolarHBondContact O-N 3.21Å; H112-G177 PolarHBondContact NE2-O 2.75Å; H112-P179 HydrophobicContact CB-CB 3.87Å; H112-P179 HydrophobicContact CB-CG 3.94Å
113	E	98.9	Very high	98.9	Very high	137 Å²	137	25.5 Å²	25.5	64%	0.64	13%	0.126	S	C	*	.	H	α-helix	trans	-58.2	-34.5	175	-74.1	173.1	-158.4	0	0	112.5	R109 L110 G115	R109-E113 WeakPolarHBondContact O-CG 3.31Å; R109-E113 PolarHBondContact O-N 3.11Å; L110-E113 PolarHBondContact O-N 3.03Å; E113-G115 PolarHBondContact O-N 2.93Å
114	L	98.8	Very high	98.9	Very high	33 Å²	33	24.4 Å²	24.4	17%	0.173	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.7	175.5	-64.9	173.2	0	0	0	113.6	K66 L69 L70 L110 A111 H112 L116	K66-L114 HydrophobicContact CG-CD1 4.47Å; L69-L114 HydrophobicContact CB-CD1 3.47Å; L69-L114 VanDerWaalsContact CB-CD1 3.47Å; L69-L114 HydrophobicContact CD1-CD1 4.35Å; L70-L114 HydrophobicContact CD1-CD2 4.35Å; L110-L114 WeakPolarHBondContact O-CG 3.46Å; L110-L114 PolarHBondContact O-N 3.47Å; L110-L114 VanDerWaalsContact O-N 3.17Å; A111-L114 PolarHBondContact O-N 3.04Å; H112-L114 PolarHBondContact O-N 2.04Å; L114-L116 HydrophobicContact CB-CD1 4.38Å
115	G	98.6	Very high	98.9	Very high	43 Å²	43	24.5 Å²	24.5	44%	0.443	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	34.6	-179.6	0	0	0	0	0	113.1	K73 A111 H112 E113	K73-G115 PolarHBondContact NZ-O 3.43Å; A111-G115 PolarHBondContact O-N 3.04Å; H112-G115 WeakPolarHBondContact O-CA 3.46Å; H112-G115 PolarHBondContact O-N 3.21Å; E113-G115 PolarHBondContact O-N 2.93Å
116	L	98.9	Very high	98.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.			trans	-100.9	143.3	168.3	-66	159.2	0	0	0	109.5	L69 K73 L77 I80 A111 L114	L69-L116 HydrophobicContact CB-CD1 4.29Å; L69-L116 HydrophobicContact CD2-CD1 4.18Å; K73-L116 HydrophobicContact CB-CD1 4.31Å; K73-L116 HydrophobicContact CB-CD2 4.29Å; K73-L116 HydrophobicContact CB-CG 4.42Å; K73-L116 HydrophobicContact CD-CD2 3.76Å; K73-L116 HydrophobicContact CD-CG 4.09Å; L77-L116 WeakPolarHBondContact O-CD2 3.47Å; I80-L116 HydrophobicContact CG2-CB 4.46Å; I80-L116 HydrophobicContact CG2-CD1 3.86Å; I80-L116 HydrophobicContact CG2-CD2 4.2Å; I80-L116 HydrophobicContact CG2-CG 4.4Å; A111-L116 HydrophobicContact CB-CB 4.36Å; A111-L116 WeakPolarHBondContact O-CB 3.48Å; A111-L116 PolarHBondContact O-N 3.49Å; L114-L116 HydrophobicContact CB-CD1 4.38Å
117	L	98.9	Very high	98.9	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.089	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	167.1	165.6	-59.1	168.6	0	0	0	109.5	K43 F48 N78 T79 I80 Y174 P179 I181	K43-L117 HydrophobicContact CD-CD1 4.1Å; F48-L117 HydrophobicContact CE1-CD1 4.22Å; F48-L117 HydrophobicContact CE2-CD1 3.92Å; F48-L117 HydrophobicContact CZ-CD1 3.51Å; N78-L117 PolarHBondContact O-N 3.16Å; T79-L117 CarbonylContact C-O 3.59Å; T79-L117 VanDerWaalsContact CA-O 3.27Å; T79-L117 WeakPolarHBondContact CA-O 3.49Å; T79-L117 HydrophobicContact CG2-CB 4.18Å; I80-L117 PolarHBondContact N-O 3.16Å; L117-Y174 HydrophobicContact CD2-CD2 3.84Å; L117-Y174 HydrophobicContact CD2-CE2 3.73Å; L117-P179 WeakPolarHBondContact CA-O 3.31Å; L117-I181 HydrophobicContact CB-CD1 4.07Å; L117-I181 HydrophobicContact CB-CG1 4.22Å; L117-I181 HydrophobicContact CB-CG2 4.21Å; L117-I181 HydrophobicContact CD1-CD1 4.26Å; L117-I181 HydrophobicContact CD1-CG2 4.15Å; L117-I181 HydrophobicContact CD2-CG2 3.99Å; L117-I181 HydrophobicContact CG-CG2 4.33Å
118	V	99	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.1	179.3	174.3	0	0	0	0	111.7	I80 L108 A111 L120 P179 I180 I181	I80-V118 HydrophobicContact CD1-CG2 3.99Å; I80-V118 HydrophobicContact CG1-CG2 3.96Å; I80-V118 CarbonylContact O-C 3.52Å; I80-V118 WeakPolarHBondContact O-CA 3.5Å; L108-V118 HydrophobicContact CD2-CB 4.15Å; L108-V118 HydrophobicContact CD2-CG1 3.61Å; L108-V118 HydrophobicContact CD2-CG2 3.73Å; A111-V118 HydrophobicContact CB-CG2 4.13Å; V118-L120 HydrophobicContact CG1-CB 4.34Å; V118-P179 HydrophobicContact CB-CB 4.29Å; V118-P179 HydrophobicContact CB-CG 4.31Å; V118-P179 HydrophobicContact CG2-CB 3.86Å; V118-P179 HydrophobicContact CG2-CG 3.82Å; V118-P179 PolarHBondContact N-O 3.01Å; V118-I180 HydrophobicContact CB-CG1 4.2Å; V118-I180 HydrophobicContact CG1-CG1 4.26Å; V118-I180 CarbonylContact O-C 3.59Å; V118-I180 WeakPolarHBondContact O-CA 3.49Å; V118-I181 VanDerWaalsContact O-CG1 3.26Å; V118-I181 WeakPolarHBondContact O-CG1 3.37Å; V118-I181 PolarHBondContact O-N 3.37Å
119	I	99	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	114.2	158.2	-61.4	162.1	0	0	0	107	Y50 T79 I80 Q81 T82 R121 T182 F218	Y50-I119 HydrophobicContact CD1-CD1 4.15Å; Y50-I119 HydrophobicContact CD2-CD1 3.71Å; Y50-I119 HydrophobicContact CE1-CD1 3.9Å; Y50-I119 HydrophobicContact CE2-CD1 3.46Å; Y50-I119 VanDerWaalsContact CE2-CD1 3.46Å; Y50-I119 HydrophobicContact CG-CD1 4.03Å; T79-I119 HydrophobicContact CG2-CD1 3.83Å; T79-I119 HydrophobicContact CG2-CG1 3.73Å; I80-I119 PolarHBondContact O-N 3.36Å; Q81-I119 WeakPolarHBondContact CA-O 3.06Å; Q81-I119 HydrophobicContact CB-CB 4.18Å; Q81-I119 HydrophobicContact CG-CB 4.09Å; Q81-I119 HydrophobicContact CG-CG2 3.99Å; T82-I119 PolarHBondContact N-O 3.31Å; I119-R121 HydrophobicContact CG2-CG 4.5Å; I119-T182 WeakPolarHBondContact CG2-OG1 3.34Å; I119-F218 HydrophobicContact CG2-CE1 3.71Å; I119-F218 HydrophobicContact CG2-CZ 3.52Å
120	L	98.9	Very high	98.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.4	-177.5	-170.7	74	0	0	0	110.6	T82 V84 L108 V118 P122 M169 I180 T182 V183 Q184	T82-L120 HydrophobicContact CG2-CD1 4.03Å; V84-L120 HydrophobicContact CG2-CD1 3.83Å; V84-L120 HydrophobicContact CG2-CG 4.39Å; L108-L120 HydrophobicContact CD1-CD1 4.25Å; L108-L120 HydrophobicContact CD2-CD1 4.35Å; V118-L120 HydrophobicContact CG1-CB 4.34Å; L120-P122 HydrophobicContact CD2-CB 4.44Å; L120-P122 HydrophobicContact CD2-CG 4.49Å; L120-P122 WeakPolarHBondContact O-CD 3.35Å; L120-M169 HydrophobicContact CD1-SD 4.33Å; L120-M169 HydrophobicContact CD2-CB 4.15Å; L120-M169 HydrophobicContact CD2-CG 3.62Å; L120-M169 HydrophobicContact CD2-SD 3.55Å; L120-M169 VanDerWaalsContact CD2-SD 3.55Å; L120-I180 HydrophobicContact CB-CG2 3.91Å; L120-I180 HydrophobicContact CD2-CD1 4.14Å; L120-T182 PolarHBondContact N-O 3.06Å; L120-T182 VanDerWaalsContact N-O 3.07Å; L120-V183 HydrophobicContact CB-CG2 4.42Å; L120-V183 CarbonylContact O-C 3.46Å; L120-V183 VanDerWaalsContact O-CA 3.3Å; L120-V183 WeakPolarHBondContact O-CA 3.06Å; L120-Q184 PolarHBondContact O-N 2.87Å
121	R	98.9	Very high	98.8	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	79	177	-54	-152.9	-68.2	178.1	-6	111.1	Q81 T82 Y83 V84 I119 G123 Q184 N187 E268	Q81-R121 HydrophobicContact CG-CG 4.01Å; Q81-R121 VanDerWaalsContact NE2-NE 3.19Å; T82-R121 PolarHBondContact O-N 3.34Å; Y83-R121 CarbonylContact C-O 3.58Å; Y83-R121 VanDerWaalsContact CA-O 3.29Å; Y83-R121 WeakPolarHBondContact CA-O 2.98Å; Y83-R121 HydrophobicContact CD1-CB 3.4Å; Y83-R121 HydrophobicContact CD1-CG 4.44Å; Y83-R121 HydrophobicContact CE1-CB 3.81Å; Y83-R121 VanDerWaalsContact CE1-CZ 3.45Å; Y83-R121 VanDerWaalsContact CE1-NE 3.34Å; Y83-R121 HydrophobicContact CG-CB 4.29Å; Y83-R121 PolarHBondContact OH-NH1 2.97Å; Y83-R121 PolarHBondContact OH-NH2 3.49Å; Y83-R121 VanDerWaalsContact OH-NH2 3.07Å; V84-R121 PolarHBondContact N-O 3.5Å; I119-R121 HydrophobicContact CG2-CG 4.5Å; R121-G123 PolarHBondContact O-N 3.11Å; R121-Q184 HydrophobicContact CB-CB 4.15Å; R121-Q184 VanDerWaalsContact CD-CD 3.48Å; R121-Q184 HydrophobicContact CG-CB 3.79Å; R121-N187 PolarHBondContact NH1-OD1 3.24Å; R121-E268 IonicContact CZ-OE1 3.14Å; R121-E268 IonicContact NH1-OE1 3.26Å; R121-E268 PolarHBondContact NH1-OE1 3.49Å; R121-E268 IonicContact NH2-OE1 2.77Å; R121-E268 PolarHBondContact NH2-OE1 3.06Å
122	P	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.			trans	-78.8	2.6	-172.8	33.9	-38.8	0	0	0	115.4	V84 L120 L165 L166 V183 Q184 F207	V84-P122 HydrophobicContact CG2-CB 4.35Å; L120-P122 HydrophobicContact CD2-CB 4.44Å; L120-P122 HydrophobicContact CD2-CG 4.49Å; L120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-L165 HydrophobicContact CB-CD2 3.57Å; P122-L166 HydrophobicContact CB-CD2 4.47Å; P122-L166 HydrophobicContact CG-CD2 4.42Å; P122-V183 HydrophobicContact CG-CG1 3.69Å; P122-Q184 WeakPolarHBondContact CD-O 3.46Å; P122-F207 HydrophobicContact CG-CE1 3.49Å; P122-F207 VanDerWaalsContact CG-CE1 3.49Å; P122-F207 HydrophobicContact CG-CZ 3.7Å
123	G	98.8	Very high	98.8	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	7%	0.073	C	C	.	.			trans	77.5	-131.4	177.1	0	0	0	0	0	113.9	R121 Y125 E186	R121-G123 PolarHBondContact O-N 3.11Å; G123-Y125 WeakPolarHBondContact CA-O 3.47Å; G123-E186 PolarHBondContact O-N 3.3Å
124	P	98.8	Very high	98.8	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.043	C	C	.	.	S	Bend	cis	-78.9	-21.1	22.3	31	-38.3	0	0	0	115.6	W86 V158 L203	W86-P124 HydrophobicContact CE3-CB 3.96Å; W86-P124 HydrophobicContact CZ3-CB 4.21Å; P124-V158 HydrophobicContact CB-CG1 4.26Å; P124-V158 HydrophobicContact CB-CG2 4.07Å; P124-V158 HydrophobicContact CG-CG1 3.87Å; P124-V158 HydrophobicContact CG-CG2 3.81Å; P124-L203 HydrophobicContact CG-CD2 4.2Å
125	Y	98.9	Very high	98.8	Very high	1 Å²	1	4.5 Å²	4.5	0%	0.004	3%	0.034	C	C	.	.			trans	-93.5	141.4	165.5	164.1	-87	0	0	0	109.8	G123 C127 L135 R148 N187 N484 I489	G123-Y125 WeakPolarHBondContact CA-O 3.47Å; Y125-C127 HydrophobicContact CE1-CB 3.82Å; Y125-C127 WeakPolarHBondContact OH-CB 3.44Å; Y125-L135 HydrophobicContact CD2-CD1 4.18Å; Y125-L135 HydrophobicContact CD2-CG 4.34Å; Y125-R148 VanDerWaalsContact CD1-NE 3.32Å; Y125-R148 HydrophobicContact CD2-CG 4.44Å; Y125-R148 HydrophobicContact CG-CG 4.22Å; Y125-R148 VanDerWaalsContact CZ-NH1 3.27Å; Y125-R148 PolarHBondContact OH-NH1 3.49Å; Y125-N187 HydrophobicContact CD1-CB 4.24Å; Y125-N187 HydrophobicContact CE1-CB 4.44Å; Y125-N187 WeakPolarHBondContact CE1-O 3.37Å; Y125-N484 VanDerWaalsContact CE2-O 3.23Å; Y125-N484 WeakPolarHBondContact CE2-O 3.5Å; Y125-N484 PolarHBondContact OH-O 2.82Å; Y125-I489 HydrophobicContact CD2-CD1 4.48Å; Y125-I489 HydrophobicContact CE2-CD1 4.38Å
126	I	98.9	Very high	98.9	Very high	2 Å²	2	2.5 Å²	2.5	1%	0.01	1%	0.013	C	C	.	.			trans	-129.4	-5.4	-174.7	62.4	161.6	0	0	0	115.2	Y83 P85 A128 G133	Y83-I126 HydrophobicContact CD1-CB 3.45Å; Y83-I126 VanDerWaalsContact CD1-CB 3.45Å; Y83-I126 HydrophobicContact CD1-CG2 3.46Å; Y83-I126 VanDerWaalsContact CD1-CG2 3.46Å; Y83-I126 HydrophobicContact CD2-CB 4.37Å; Y83-I126 HydrophobicContact CE1-CB 3.72Å; Y83-I126 HydrophobicContact CE1-CG2 4.03Å; Y83-I126 WeakPolarHBondContact CE1-O 3.27Å; Y83-I126 WeakPolarHBondContact CE2-O 3.32Å; Y83-I126 HydrophobicContact CG-CB 3.81Å; Y83-I126 HydrophobicContact CG-CD1 4.15Å; Y83-I126 HydrophobicContact CG-CG2 4.04Å; Y83-I126 PolarHBondContact OH-O 2.67Å; P85-I126 HydrophobicContact CB-CD1 3.77Å; P85-I126 HydrophobicContact CG-CD1 3.82Å; I126-A128 HydrophobicContact CD1-CB 4.11Å; I126-A128 HydrophobicContact CG1-CB 4.3Å; I126-A128 WeakPolarHBondContact O-CB 3.32Å; I126-A128 PolarHBondContact O-N 2.94Å; I126-G133 VanDerWaalsContact CG1-O 3.25Å; I126-G133 WeakPolarHBondContact CG1-O 3.49Å; I126-G133 PolarHBondContact N-O 3.33Å
127	C	98.7	Very high	98.9	Very high	7 Å²	7	2.5 Å²	2.5	5%	0.047	1%	0.014	C	C	.	.			trans	55.2	-98.4	-172.6	-171	0	0	0	0	112.6	Y125 E129 W130 G133	Y125-C127 HydrophobicContact CE1-CB 3.82Å; Y125-C127 WeakPolarHBondContact OH-CB 3.44Å; C127-E129 VanDerWaalsContact C-N 3.28Å; C127-E129 PolarHBondContact O-N 2.86Å; C127-E129 VanDerWaalsContact O-N 3.11Å; C127-W130 PolarHBondContact O-N 3.09Å; C127-W130 VanDerWaalsContact O-N 3.16Å; C127-G133 WeakPolarHBondContact O-CA 3.3Å
128	A	98.3	Very high	98.9	Very high	3 Å²	3	2.9 Å²	2.9	3%	0.025	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	20.3	164	0	0	0	0	0	117	R59 Y83 I126 W130	R59-A128 VanDerWaalsContact CZ-O 3.23Å; R59-A128 PolarHBondContact NH1-O 2.6Å; R59-A128 PolarHBondContact NH2-O 2.71Å; Y83-A128 HydrophobicContact CD2-CB 3.55Å; Y83-A128 HydrophobicContact CE2-CB 3.48Å; Y83-A128 VanDerWaalsContact CE2-CB 3.48Å; Y83-A128 HydrophobicContact CG-CB 4.49Å; I126-A128 HydrophobicContact CD1-CB 4.11Å; I126-A128 HydrophobicContact CG1-CB 4.3Å; I126-A128 WeakPolarHBondContact O-CB 3.32Å; I126-A128 PolarHBondContact O-N 2.94Å; A128-W130 HydrophobicContact CB-CB 4.35Å; A128-W130 PolarHBondContact O-N 3.38Å
129	E	98.8	Very high	98.9	Very high	15 Å²	15	3.3 Å²	3.3	7%	0.07	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	22.4	-170.7	-68	65.4	-102.3	0	0	113.7	R59 C127 L274 G319 Q327 Y331 N484	R59-E129 PolarHBondContact NH2-O 3Å; C127-E129 VanDerWaalsContact C-N 3.28Å; C127-E129 PolarHBondContact O-N 2.86Å; C127-E129 VanDerWaalsContact O-N 3.11Å; E129-L274 VanDerWaalsContact CD-CD2 3.47Å; E129-L274 HydrophobicContact CG-CB 3.66Å; E129-L274 HydrophobicContact CG-CD2 3.6Å; E129-L274 HydrophobicContact CG-CG 4.15Å; E129-G319 PolarHBondContact O-N 2.79Å; E129-Q327 HydrophobicContact CB-CB 4.49Å; E129-Q327 HydrophobicContact CB-CG 3.99Å; E129-Q327 HydrophobicContact CG-CG 3.79Å; E129-Y331 HydrophobicContact CB-CD2 4.31Å; E129-Y331 HydrophobicContact CB-CE2 3.6Å; E129-Y331 HydrophobicContact CG-CE2 3.87Å; E129-Y331 WeakPolarHBondContact OE2-CE2 3.14Å; E129-Y331 PolarHBondContact OE2-OH 2.96Å; E129-N484 VanDerWaalsContact C-ND2 3.29Å; E129-N484 VanDerWaalsContact CA-ND2 3.27Å; E129-N484 WeakPolarHBondContact CA-ND2 3.48Å
130	W	98.9	Very high	98.9	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.008	2%	0.016	C	C	.	.	B	Isolated β-bridge	trans	-102.2	150.5	-174.5	-173.2	-87.1	0	0	0	110.2	S58 R59 P85 N87 F88 C127 A128 M132 G133 W317 N484	S58-W130 WeakPolarHBondContact OG-CH2 3.35Å; S58-W130 WeakPolarHBondContact OG-CZ3 3.36Å; R59-W130 HydrophobicContact CG-CE3 4.32Å; R59-W130 HydrophobicContact CG-CZ3 3.86Å; P85-W130 HydrophobicContact CB-CD2 4.45Å; P85-W130 HydrophobicContact CB-CZ2 4.29Å; P85-W130 HydrophobicContact CG-CD2 4.44Å; P85-W130 HydrophobicContact CG-CZ2 4.31Å; N87-W130 PolarHBondContact OD1-NE1 2.8Å; F88-W130 HydrophobicContact CB-CZ2 4.12Å; F88-W130 HydrophobicContact CD2-CH2 4.25Å; F88-W130 AromaticContact CD2-CZ2 3.95Å; F88-W130 HydrophobicContact CD2-CZ2 3.95Å; F88-W130 HydrophobicContact CG-CZ2 4.23Å; C127-W130 PolarHBondContact O-N 3.09Å; C127-W130 VanDerWaalsContact O-N 3.16Å; A128-W130 HydrophobicContact CB-CB 4.35Å; A128-W130 PolarHBondContact O-N 3.38Å; W130-M132 PolarHBondContact O-N 2.99Å; W130-M132 VanDerWaalsContact O-N 3.14Å; W130-G133 PolarHBondContact O-N 2.86Å; W130-W317 CarbonylContact C-O 3.55Å; W130-W317 WeakPolarHBondContact CA-O 3.22Å; W130-W317 HydrophobicContact CD2-CB 4.16Å; W130-W317 AromaticContact CE2-CE3 3.74Å; W130-W317 HydrophobicContact CE3-CB 4.01Å; W130-W317 HydrophobicContact CH2-CB 3.45Å; W130-W317 VanDerWaalsContact CH2-CB 3.45Å; W130-W317 AromaticContact CH2-CD1 3.81Å; W130-W317 AromaticContact CH2-CD2 3.9Å; W130-W317 HydrophobicContact CH2-CD2 3.9Å; W130-W317 HydrophobicContact CH2-CE3 4.44Å; W130-W317 AromaticContact CH2-CG 3.45Å; W130-W317 HydrophobicContact CH2-CG 3.45Å; W130-W317 VanDerWaalsContact CH2-CG 3.45Å; W130-W317 HydrophobicContact CZ2-CB 3.62Å; W130-W317 AromaticContact CZ2-CD2 3.39Å; W130-W317 HydrophobicContact CZ2-CD2 3.39Å; W130-W317 AromaticContact CZ2-CE3 3.52Å; W130-W317 HydrophobicContact CZ2-CE3 3.52Å; W130-W317 AromaticContact CZ2-CG 3.45Å; W130-W317 HydrophobicContact CZ2-CG 3.45Å; W130-W317 VanDerWaalsContact CZ2-CG 3.45Å; W130-W317 HydrophobicContact CZ2-CZ3 4.31Å; W130-W317 HydrophobicContact CZ3-CB 3.65Å; W130-W317 HydrophobicContact CZ3-CG 4.17Å; W130-W317 AromaticContact NE1-CE3 3.72Å; W130-N484 WeakPolarHBondContact O-CB 3.38Å
131	E	98.9	Very high	98.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-41.6	118.6	179	173.7	61.9	-175.6	0	0	111.7	N87 G133 G134 W317 Y413 N479 G481 R482	N87-E131 PolarHBondContact ND2-O 2.88Å; E131-G133 PolarHBondContact O-N 3.36Å; E131-G133 VanDerWaalsContact O-N 3.07Å; E131-G134 PolarHBondContact O-N 3.29Å; E131-W317 HydrophobicContact CB-CE3 4.23Å; E131-W317 PolarHBondContact N-O 3.29Å; E131-Y413 HydrophobicContact CG-CD1 4.17Å; E131-Y413 HydrophobicContact CG-CE1 3.57Å; E131-N479 PolarHBondContact OE1-ND2 2.6Å; E131-G481 WeakPolarHBondContact OE2-CA 3.43Å; E131-R482 WeakPolarHBondContact OE1-CD 3.14Å; E131-R482 VanDerWaalsContact OE1-CG 3.25Å; E131-R482 WeakPolarHBondContact OE1-CG 3.49Å; E131-R482 IonicContact OE1-CZ 2.69Å; E131-R482 IonicContact OE1-NE 2.9Å; E131-R482 IonicContact OE1-NH1 3.77Å; E131-R482 PolarHBondContact OE1-NH1 2.98Å; E131-R482 PolarHBondContact OE2-N 3.13Å
132	M	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	53.5	26.1	179.2	-154.3	-179.8	160.6	0	0	115.2	W130 G134 L135 A137 L140 L147 R482	W130-M132 PolarHBondContact O-N 2.99Å; W130-M132 VanDerWaalsContact O-N 3.14Å; M132-G134 PolarHBondContact O-N 3.17Å; M132-L135 HydrophobicContact CE-CB 4.18Å; M132-L135 HydrophobicContact CG-CB 4.22Å; M132-L135 WeakPolarHBondContact O-CB 3.37Å; M132-L135 PolarHBondContact O-N 2.9Å; M132-L135 HydrophobicContact SD-CB 4.32Å; M132-A137 HydrophobicContact SD-CB 4.44Å; M132-L140 HydrophobicContact CE-CD1 3.92Å; M132-L140 HydrophobicContact CE-CD2 3.69Å; M132-L140 HydrophobicContact CE-CG 3.72Å; M132-L140 HydrophobicContact SD-CD1 4.22Å; M132-L140 HydrophobicContact SD-CG 4.44Å; M132-L147 HydrophobicContact CE-CD1 3.42Å; M132-L147 VanDerWaalsContact CE-CD1 3.42Å; M132-L147 HydrophobicContact CE-CD2 4.35Å; M132-R482 HydrophobicContact CB-CB 3.71Å; M132-R482 HydrophobicContact CB-CG 4.39Å; M132-R482 HydrophobicContact CG-CB 4.11Å; M132-R482 VanDerWaalsContact SD-CD 3.6Å
133	G	98.8	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	64.7	27.8	-175.9	0	0	0	0	0	112.9	I126 C127 W130 E131 L135	I126-G133 VanDerWaalsContact CG1-O 3.25Å; I126-G133 WeakPolarHBondContact CG1-O 3.49Å; I126-G133 PolarHBondContact N-O 3.33Å; C127-G133 WeakPolarHBondContact O-CA 3.3Å; W130-G133 PolarHBondContact O-N 2.86Å; E131-G133 PolarHBondContact O-N 3.36Å; E131-G133 VanDerWaalsContact O-N 3.07Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.12Å
134	G	98.9	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	80.4	-3.9	-175.8	0	0	0	0	0	115.1	W86 N87 E131 M132	W86-G134 WeakPolarHBondContact CB-O 3.38Å; W86-G134 PolarHBondContact N-O 2.9Å; N87-G134 WeakPolarHBondContact CB-O 3.48Å; N87-G134 VanDerWaalsContact CG-O 3.3Å; N87-G134 PolarHBondContact N-O 2.91Å; E131-G134 PolarHBondContact O-N 3.29Å; M132-G134 PolarHBondContact O-N 3.17Å
135	L	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.			trans	-73.3	139.7	177	-62.6	177.8	0	0	0	111	W86 N87 Y125 M132 G133 L139 L147 R148 Y154 I489	W86-L135 HydrophobicContact CE3-CD2 4Å; W86-L135 HydrophobicContact CZ3-CD2 4.18Å; N87-L135 PolarHBondContact ND2-O 3.14Å; N87-L135 VanDerWaalsContact ND2-O 3.09Å; Y125-L135 HydrophobicContact CD2-CD1 4.18Å; Y125-L135 HydrophobicContact CD2-CG 4.34Å; M132-L135 HydrophobicContact CE-CB 4.18Å; M132-L135 HydrophobicContact CG-CB 4.22Å; M132-L135 WeakPolarHBondContact O-CB 3.37Å; M132-L135 PolarHBondContact O-N 2.9Å; M132-L135 HydrophobicContact SD-CB 4.32Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.12Å; L135-L139 HydrophobicContact CB-CD1 4.13Å; L135-L139 HydrophobicContact CD2-CD1 4.46Å; L135-L147 HydrophobicContact CD1-CB 4.25Å; L135-L147 HydrophobicContact CD1-CD1 4.16Å; L135-L147 HydrophobicContact CD1-CD2 4.37Å; L135-L147 HydrophobicContact CD1-CG 4.49Å; L135-R148 HydrophobicContact CD1-CG 4.46Å; L135-Y154 HydrophobicContact CD1-CE2 4.48Å; L135-Y154 HydrophobicContact CD2-CE2 4.16Å; L135-I489 HydrophobicContact CD1-CD1 4.23Å
136	P	98.9	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.13	C	C	.	.			trans	-69.7	133.1	175.5	-19.5	30.7	0	0	0	112.7	W86 N87 W138 L139	W86-P136 HydrophobicContact CB-CG 4.4Å; W86-P136 HydrophobicContact CD2-CG 3.52Å; W86-P136 VanDerWaalsContact CE3-CD 3.42Å; W86-P136 HydrophobicContact CE3-CG 4.12Å; W86-P136 HydrophobicContact CG-CG 3.64Å; W86-P136 HydrophobicContact CZ2-CG 4.19Å; N87-P136 HydrophobicContact CB-CB 4.25Å; N87-P136 HydrophobicContact CB-CG 4.22Å; P136-W138 HydrophobicContact CB-CD2 3.9Å; P136-W138 VanDerWaalsContact CB-CE2 3.4Å; P136-W138 HydrophobicContact CB-CG 3.97Å; P136-W138 HydrophobicContact CB-CZ2 3.95Å; P136-W138 HydrophobicContact CG-CZ2 3.9Å; P136-W138 PolarHBondContact O-N 2.67Å; P136-L139 VanDerWaalsContact O-CB 3.32Å; P136-L139 WeakPolarHBondContact O-CB 3.26Å; P136-L139 WeakPolarHBondContact O-CG 3.47Å; P136-L139 PolarHBondContact O-N 3.22Å
137	A	98.9	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-61.4	-25.7	-179.6	0	0	0	0	0	113.5	M132 L139 L140 I407 Y412	M132-A137 HydrophobicContact SD-CB 4.44Å; A137-L139 PolarHBondContact O-N 2.74Å; A137-L139 VanDerWaalsContact O-N 3.17Å; A137-L140 VanDerWaalsContact O-CB 3.32Å; A137-L140 WeakPolarHBondContact O-CB 3.38Å; A137-L140 PolarHBondContact O-N 3.35Å; A137-I407 HydrophobicContact CB-CD1 4.02Å; A137-I407 WeakPolarHBondContact O-CD1 3.4Å; A137-Y412 HydrophobicContact CB-CD1 3.6Å; A137-Y412 HydrophobicContact CB-CE1 4.46Å; A137-Y412 HydrophobicContact CB-CG 3.78Å
138	W	98.9	Very high	98.7	Very high	25 Å²	25	24 Å²	24	10%	0.095	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-63.3	-16	175.1	57.5	-109.9	0	0	0	113.9	W86 E90 P93 P136 L140 E141 A157 Y412	W86-W138 HydrophobicContact CH2-CH2 4.36Å; W86-W138 AromaticContact CZ2-CH2 3.69Å; W86-W138 HydrophobicContact CZ2-CH2 3.69Å; W86-W138 AromaticContact CZ2-CZ2 3.91Å; W86-W138 HydrophobicContact CZ2-CZ2 3.91Å; E90-W138 HydrophobicContact CG-CZ2 4.02Å; E90-W138 PolarHBondContact O-NE1 2.92Å; P93-W138 HydrophobicContact CG-CB 4.37Å; P93-W138 HydrophobicContact CG-CD2 3.6Å; P93-W138 HydrophobicContact CG-CE3 3.8Å; P93-W138 HydrophobicContact CG-CG 3.88Å; P93-W138 HydrophobicContact CG-CZ2 4.4Å; P93-W138 HydrophobicContact CG-CZ3 4.28Å; P136-W138 HydrophobicContact CB-CD2 3.9Å; P136-W138 VanDerWaalsContact CB-CE2 3.4Å; P136-W138 HydrophobicContact CB-CG 3.97Å; P136-W138 HydrophobicContact CB-CZ2 3.95Å; P136-W138 HydrophobicContact CG-CZ2 3.9Å; P136-W138 PolarHBondContact O-N 2.67Å; W138-L140 PolarHBondContact O-N 3.11Å; W138-E141 WeakPolarHBondContact O-CB 3.38Å; W138-E141 VanDerWaalsContact O-CG 3.27Å; W138-E141 WeakPolarHBondContact O-CG 3.43Å; W138-E141 PolarHBondContact O-N 3.05Å; W138-E141 VanDerWaalsContact O-N 3.17Å; W138-A157 HydrophobicContact CH2-CB 3.94Å; W138-A157 HydrophobicContact CZ3-CB 3.89Å; W138-Y412 HydrophobicContact CB-CE1 4.07Å; W138-Y412 HydrophobicContact CB-CE2 4.21Å; W138-Y412 WeakPolarHBondContact CB-OH 3.24Å
139	L	98.9	Very high	98.7	Very high	8 Å²	8	24 Å²	24	4%	0.042	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-59.5	-30.7	169.5	-69.5	170.7	0	0	0	112	W86 L135 P136 A137 E141 K142 I145 L147 Y154 A157	W86-L139 HydrophobicContact CH2-CD1 4.16Å; W86-L139 HydrophobicContact CH2-CD2 4.08Å; W86-L139 HydrophobicContact CZ3-CD1 3.94Å; L135-L139 HydrophobicContact CB-CD1 4.13Å; L135-L139 HydrophobicContact CD2-CD1 4.46Å; P136-L139 VanDerWaalsContact O-CB 3.32Å; P136-L139 WeakPolarHBondContact O-CB 3.26Å; P136-L139 WeakPolarHBondContact O-CG 3.47Å; P136-L139 PolarHBondContact O-N 3.22Å; A137-L139 PolarHBondContact O-N 2.74Å; A137-L139 VanDerWaalsContact O-N 3.17Å; L139-E141 PolarHBondContact O-N 2.91Å; L139-K142 PolarHBondContact O-N 2.88Å; L139-I145 HydrophobicContact CB-CD1 4.23Å; L139-I145 HydrophobicContact CD2-CD1 4.4Å; L139-L147 HydrophobicContact CB-CD2 4.11Å; L139-L147 HydrophobicContact CD1-CD2 4.07Å; L139-Y154 HydrophobicContact CD1-CD2 4.2Å; L139-Y154 HydrophobicContact CD1-CE2 4.03Å; L139-Y154 HydrophobicContact CD2-CD2 4.43Å; L139-A157 HydrophobicContact CD2-CB 3.51Å
140	L	98.9	Very high	98.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-74.6	-1.3	179.9	-56.6	-177.1	0	0	0	113.6	M132 A137 W138 K142 I145 L147 I407 N490 F492	M132-L140 HydrophobicContact CE-CD1 3.92Å; M132-L140 HydrophobicContact CE-CD2 3.69Å; M132-L140 HydrophobicContact CE-CG 3.72Å; M132-L140 HydrophobicContact SD-CD1 4.22Å; M132-L140 HydrophobicContact SD-CG 4.44Å; A137-L140 VanDerWaalsContact O-CB 3.32Å; A137-L140 WeakPolarHBondContact O-CB 3.38Å; A137-L140 PolarHBondContact O-N 3.35Å; W138-L140 PolarHBondContact O-N 3.11Å; L140-K142 CarbonylContact O-C 3.54Å; L140-K142 PolarHBondContact O-N 3.06Å; L140-I145 HydrophobicContact CD2-CG2 4.05Å; L140-L147 HydrophobicContact CD2-CD1 4.19Å; L140-I407 HydrophobicContact CB-CD1 4.19Å; L140-I407 HydrophobicContact CB-CG1 3.89Å; L140-I407 HydrophobicContact CB-CG2 4.18Å; L140-I407 HydrophobicContact CD1-CD1 4.3Å; L140-I407 HydrophobicContact CD1-CG1 4.36Å; L140-N490 HydrophobicContact CD2-CB 3.96Å; L140-F492 HydrophobicContact CB-CD1 4.06Å; L140-F492 HydrophobicContact CB-CE1 3.85Å; L140-F492 HydrophobicContact CD1-CD1 4.44Å; L140-F492 WeakPolarHBondContact O-CE1 3.24Å
141	E	98.6	Very high	98.7	Very high	88 Å²	88	25.9 Å²	25.9	41%	0.411	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-61.5	-26.7	171.1	-69.1	-172.1	-176.3	0	0	111.8	W138 L139 E143 I407 K410 Y412	W138-E141 WeakPolarHBondContact O-CB 3.38Å; W138-E141 VanDerWaalsContact O-CG 3.27Å; W138-E141 WeakPolarHBondContact O-CG 3.43Å; W138-E141 PolarHBondContact O-N 3.05Å; W138-E141 VanDerWaalsContact O-N 3.17Å; L139-E141 PolarHBondContact O-N 2.91Å; E141-E143 PolarHBondContact O-N 3.23Å; E141-I407 HydrophobicContact CB-CG2 4.36Å; E141-I407 HydrophobicContact CG-CG2 3.66Å; E141-K410 IonicContact OE1-NZ 3.1Å; E141-K410 PolarHBondContact OE1-NZ 3.15Å; E141-K410 IonicContact OE2-NZ 2.91Å; E141-K410 PolarHBondContact OE2-NZ 2.88Å; E141-Y412 PolarHBondContact OE1-OH 3.24Å
142	K	98.4	Very high	98.7	Very high	67 Å²	67	30.3 Å²	30.3	29%	0.291	17%	0.171	S	C	.	.	S	Bend	trans	-85.9	98.7	159.9	178	-175.9	172.5	179.5	0	108.4	L139 L140 A144 I145 D151 D153	L139-K142 PolarHBondContact O-N 2.88Å; L140-K142 CarbonylContact O-C 3.54Å; L140-K142 PolarHBondContact O-N 3.06Å; K142-A144 PolarHBondContact O-N 2.65Å; K142-A144 VanDerWaalsContact O-N 3.11Å; K142-I145 HydrophobicContact CB-CB 4.08Å; K142-I145 HydrophobicContact CD-CB 3.92Å; K142-I145 HydrophobicContact CD-CG1 4.14Å; K142-I145 HydrophobicContact CG-CB 3.99Å; K142-I145 VanDerWaalsContact O-CB 3.3Å; K142-I145 WeakPolarHBondContact O-CB 3.33Å; K142-I145 VanDerWaalsContact O-CG2 3.27Å; K142-I145 WeakPolarHBondContact O-CG2 3.45Å; K142-I145 PolarHBondContact O-N 3.29Å; K142-D151 WeakPolarHBondContact CE-OD2 3.3Å; K142-D151 IonicContact NZ-OD1 2.9Å; K142-D151 PolarHBondContact NZ-OD1 2.99Å; K142-D151 IonicContact NZ-OD2 2.7Å; K142-D151 PolarHBondContact NZ-OD2 3.46Å; K142-D153 HydrophobicContact CD-CB 3.81Å; K142-D153 WeakPolarHBondContact CD-OD2 3.35Å; K142-D153 WeakPolarHBondContact CE-OD2 3.26Å; K142-D153 IonicContact NZ-OD2 3.23Å; K142-D153 PolarHBondContact NZ-OD2 2.99Å
143	E	96.9	Very high	98.7	Very high	120 Å²	120	34.7 Å²	34.7	56%	0.561	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.3	-177	-63.4	177.9	-179.1	0	0	113.8	E141 Q408 F492	E141-E143 PolarHBondContact O-N 3.23Å; E143-Q408 PolarHBondContact OE1-NE2 3.08Å; E143-F492 HydrophobicContact CB-CE1 4.37Å; E143-F492 HydrophobicContact CB-CZ 4.4Å; E143-F492 HydrophobicContact CG-CE1 4.26Å; E143-F492 WeakPolarHBondContact O-CZ 3.44Å
144	A	98.1	Very high	98.7	Very high	88 Å²	88	34.7 Å²	34.7	73%	0.727	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	19.4	178.6	0	0	0	0	0	113.9	K142 L146	K142-A144 PolarHBondContact O-N 2.65Å; K142-A144 VanDerWaalsContact O-N 3.11Å; A144-L146 PolarHBondContact O-N 3.04Å
145	I	98.6	Very high	98.7	Very high	9 Å²	9	36 Å²	36	5%	0.046	20%	0.201	C	C	.	.			trans	-67.7	131.1	-179.4	-162.1	169.7	0	0	0	111.6	L139 L140 K142 L147 Y154	L139-I145 HydrophobicContact CB-CD1 4.23Å; L139-I145 HydrophobicContact CD2-CD1 4.4Å; L140-I145 HydrophobicContact CD2-CG2 4.05Å; K142-I145 HydrophobicContact CB-CB 4.08Å; K142-I145 HydrophobicContact CD-CB 3.92Å; K142-I145 HydrophobicContact CD-CG1 4.14Å; K142-I145 HydrophobicContact CG-CB 3.99Å; K142-I145 VanDerWaalsContact O-CB 3.3Å; K142-I145 WeakPolarHBondContact O-CB 3.33Å; K142-I145 VanDerWaalsContact O-CG2 3.27Å; K142-I145 WeakPolarHBondContact O-CG2 3.45Å; K142-I145 PolarHBondContact O-N 3.29Å; I145-L147 HydrophobicContact CD1-CD2 4.19Å; I145-L147 HydrophobicContact CG1-CD2 4.39Å; I145-L147 HydrophobicContact CG2-CD2 3.97Å; I145-L147 HydrophobicContact CG2-CG 4.25Å; I145-Y154 HydrophobicContact CD1-CD2 4.35Å
146	L	98.8	Very high	98.7	Very high	71 Å²	71	38.2 Å²	38.2	37%	0.372	22%	0.219	S	C	.	.			trans	-95.2	96.8	167.7	-175.4	62	0	0	0	109.5	A144 S149 D151 F193	A144-L146 PolarHBondContact O-N 3.04Å; L146-S149 WeakPolarHBondContact CB-OG 3.5Å; L146-S149 WeakPolarHBondContact CG-OG 3.3Å; L146-S149 PolarHBondContact O-OG 3.42Å; L146-D151 HydrophobicContact CB-CB 4.34Å; L146-D151 PolarHBondContact N-OD2 2.67Å; L146-D151 WeakPolarHBondContact O-CB 3.36Å; L146-F193 HydrophobicContact CD1-CE2 4.18Å; L146-F193 HydrophobicContact CD1-CZ 3.69Å
147	L	98.9	Very high	98.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	151.8	175.9	-58	172.3	0	0	0	111.1	M132 L135 L139 L140 I145 S149 Y154 Y192 I489 N490	M132-L147 HydrophobicContact CE-CD1 3.42Å; M132-L147 VanDerWaalsContact CE-CD1 3.42Å; M132-L147 HydrophobicContact CE-CD2 4.35Å; L135-L147 HydrophobicContact CD1-CB 4.25Å; L135-L147 HydrophobicContact CD1-CD1 4.16Å; L135-L147 HydrophobicContact CD1-CD2 4.37Å; L135-L147 HydrophobicContact CD1-CG 4.49Å; L139-L147 HydrophobicContact CB-CD2 4.11Å; L139-L147 HydrophobicContact CD1-CD2 4.07Å; L140-L147 HydrophobicContact CD2-CD1 4.19Å; I145-L147 HydrophobicContact CD1-CD2 4.19Å; I145-L147 HydrophobicContact CG1-CD2 4.39Å; I145-L147 HydrophobicContact CG2-CD2 3.97Å; I145-L147 HydrophobicContact CG2-CG 4.25Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.22Å; L147-Y154 HydrophobicContact CB-CE2 4.49Å; L147-Y154 HydrophobicContact CD2-CD2 3.82Å; L147-Y154 HydrophobicContact CD2-CE2 3.98Å; L147-Y192 WeakPolarHBondContact O-CE1 3.48Å; L147-Y192 PolarHBondContact O-OH 2.88Å; L147-I489 HydrophobicContact CB-CD1 4.04Å; L147-I489 HydrophobicContact CD1-CD1 4.11Å; L147-I489 HydrophobicContact CD1-CG1 4.03Å; L147-N490 HydrophobicContact CD1-CB 4.11Å
148	R	98.8	Very high	98.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	45.6	178.7	-50.3	172.1	69	-167.6	-0.1	112.6	Y125 L135 Y154 E186 N187 E188 Y189 Y192 Y199 I489	Y125-R148 VanDerWaalsContact CD1-NE 3.32Å; Y125-R148 HydrophobicContact CD2-CG 4.44Å; Y125-R148 HydrophobicContact CG-CG 4.22Å; Y125-R148 VanDerWaalsContact CZ-NH1 3.27Å; Y125-R148 PolarHBondContact OH-NH1 3.49Å; L135-R148 HydrophobicContact CD1-CG 4.46Å; R148-Y154 VanDerWaalsContact N-CE1 3.26Å; R148-Y154 VanDerWaalsContact N-CZ 3.34Å; R148-E186 IonicContact CZ-OE1 3.74Å; R148-E186 IonicContact CZ-OE2 3.7Å; R148-E186 IonicContact NE-OE1 2.69Å; R148-E186 PolarHBondContact NE-OE1 2.94Å; R148-E186 IonicContact NE-OE2 2.72Å; R148-E186 PolarHBondContact NE-OE2 3.32Å; R148-E186 IonicContact NH2-OE1 3.93Å; R148-E186 IonicContact NH2-OE2 3.97Å; R148-E186 PolarHBondContact NH2-OE2 3.29Å; R148-N187 PolarHBondContact NH2-O 2.77Å; R148-E188 PolarHBondContact NH2-O 3.17Å; R148-Y189 HydrophobicContact CB-CE2 3.93Å; R148-Y189 WeakPolarHBondContact O-CE2 3.34Å; R148-Y189 PolarHBondContact O-OH 3.07Å; R148-Y192 HydrophobicContact CB-CD1 3.93Å; R148-Y192 HydrophobicContact CB-CE1 3.73Å; R148-Y192 VanDerWaalsContact NH1-CD2 3.3Å; R148-Y199 HydrophobicContact CB-CE1 3.95Å; R148-Y199 WeakPolarHBondContact O-CD1 3.27Å; R148-I489 HydrophobicContact CG-CD1 4.21Å
149	S	98.9	Very high	98.7	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.028	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	179.2	178.8	79.9	0	0	0	0	111.3	L146 L147 D151 Y154 L155	L146-S149 WeakPolarHBondContact CB-OG 3.5Å; L146-S149 WeakPolarHBondContact CG-OG 3.3Å; L146-S149 PolarHBondContact O-OG 3.42Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.22Å; S149-D151 PolarHBondContact O-N 2.87Å; S149-D151 WeakPolarHBondContact OG-CB 3.32Å; S149-D151 PolarHBondContact OG-N 2.79Å; S149-D151 VanDerWaalsContact OG-N 3.15Å; S149-Y154 WeakPolarHBondContact O-CD1 3.49Å; S149-L155 WeakPolarHBondContact O-CD2 3.19Å
150	S	98.9	Very high	98.7	Very high	37 Å²	37	46.1 Å²	46.1	26%	0.259	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	16.9	173.9	-58.2	0	0	0	0	114.2	P152 D196 D198 Y199	S150-P152 WeakPolarHBondContact O-CD 3.21Å; S150-P152 VanDerWaalsContact O-N 3.16Å; S150-D196 WeakPolarHBondContact CB-OD2 3.34Å; S150-D196 PolarHBondContact N-OD2 2.96Å; S150-D196 PolarHBondContact OG-OD1 3.02Å; S150-D196 PolarHBondContact OG-OD2 2.7Å; S150-D198 WeakPolarHBondContact OG-CB 3.29Å; S150-Y199 PolarHBondContact OG-N 2.88Å
151	D	98.9	Very high	98.7	Very high	18 Å²	18	46.1 Å²	46.1	10%	0.096	26%	0.258	C	S	.	.			trans	-49.8	119	167.5	-179.3	-48.2	0	0	0	109.7	K142 L146 S149 D153 Y154 L155	K142-D151 WeakPolarHBondContact CE-OD2 3.3Å; K142-D151 IonicContact NZ-OD1 2.9Å; K142-D151 PolarHBondContact NZ-OD1 2.99Å; K142-D151 IonicContact NZ-OD2 2.7Å; K142-D151 PolarHBondContact NZ-OD2 3.46Å; L146-D151 HydrophobicContact CB-CB 4.34Å; L146-D151 PolarHBondContact N-OD2 2.67Å; L146-D151 WeakPolarHBondContact O-CB 3.36Å; S149-D151 PolarHBondContact O-N 2.87Å; S149-D151 WeakPolarHBondContact OG-CB 3.32Å; S149-D151 PolarHBondContact OG-N 2.79Å; S149-D151 VanDerWaalsContact OG-N 3.15Å; D151-D153 PolarHBondContact O-N 3.28Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D151-D153 PolarHBondContact OD1-N 3.03Å; D151-Y154 PolarHBondContact O-N 3.38Å; D151-Y154 VanDerWaalsContact O-N 3.11Å; D151-Y154 PolarHBondContact OD1-N 2.79Å; D151-L155 WeakPolarHBondContact O-CG 3.36Å; D151-L155 PolarHBondContact O-N 3.23Å
152	P	98.9	Very high	98.7	Very high	95 Å²	95	41.9 Å²	41.9	62%	0.617	24%	0.238	S	C	*	.	H	α-helix	trans	-58.9	-32	-172.2	-28.3	36	0	0	0	114.6	S150 A156	S150-P152 WeakPolarHBondContact O-CD 3.21Å; S150-P152 VanDerWaalsContact O-N 3.16Å; P152-A156 WeakPolarHBondContact O-CB 3.35Å; P152-A156 PolarHBondContact O-N 2.77Å
153	D	98.8	Very high	98.7	Very high	92 Å²	92	40.2 Å²	40.2	49%	0.492	24%	0.239	S	C	.	.	H	α-helix	trans	-77.5	-37.1	-179.7	-61.6	-69	0	0	0	110.8	K142 D151 A156 A157	K142-D153 HydrophobicContact CD-CB 3.81Å; K142-D153 WeakPolarHBondContact CD-OD2 3.35Å; K142-D153 WeakPolarHBondContact CE-OD2 3.26Å; K142-D153 IonicContact NZ-OD2 3.23Å; K142-D153 PolarHBondContact NZ-OD2 2.99Å; D151-D153 PolarHBondContact O-N 3.28Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D151-D153 PolarHBondContact OD1-N 3.03Å; D153-A156 PolarHBondContact O-N 3.11Å; D153-A157 WeakPolarHBondContact O-CB 3.44Å; D153-A157 PolarHBondContact O-N 3.19Å
154	Y	98.9	Very high	98.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-49.2	171	-177.9	-105.9	0	0	0	111	L135 L139 I145 L147 R148 S149 D151 A156 A157 V158 Y199	L135-Y154 HydrophobicContact CD1-CE2 4.48Å; L135-Y154 HydrophobicContact CD2-CE2 4.16Å; L139-Y154 HydrophobicContact CD1-CD2 4.2Å; L139-Y154 HydrophobicContact CD1-CE2 4.03Å; L139-Y154 HydrophobicContact CD2-CD2 4.43Å; I145-Y154 HydrophobicContact CD1-CD2 4.35Å; L147-Y154 HydrophobicContact CB-CE2 4.49Å; L147-Y154 HydrophobicContact CD2-CD2 3.82Å; L147-Y154 HydrophobicContact CD2-CE2 3.98Å; R148-Y154 VanDerWaalsContact N-CE1 3.26Å; R148-Y154 VanDerWaalsContact N-CZ 3.34Å; S149-Y154 WeakPolarHBondContact O-CD1 3.49Å; D151-Y154 PolarHBondContact O-N 3.38Å; D151-Y154 VanDerWaalsContact O-N 3.11Å; D151-Y154 PolarHBondContact OD1-N 2.79Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.96Å; Y154-A157 PolarHBondContact O-N 3.36Å; Y154-V158 HydrophobicContact CD1-CG2 4.16Å; Y154-V158 HydrophobicContact CD2-CG2 4.41Å; Y154-V158 HydrophobicContact CE1-CG2 3.76Å; Y154-V158 HydrophobicContact CE2-CG2 4.03Å; Y154-V158 HydrophobicContact CG-CG2 4.47Å; Y154-V158 WeakPolarHBondContact O-CB 3.42Å; Y154-V158 WeakPolarHBondContact O-CG2 3.08Å; Y154-V158 PolarHBondContact O-N 3.05Å; Y154-Y199 HydrophobicContact CD1-CE2 4.45Å; Y154-Y199 HydrophobicContact CE1-CD2 4.34Å; Y154-Y199 AromaticContact CE1-CE2 3.65Å; Y154-Y199 HydrophobicContact CE1-CE2 3.65Å; Y154-Y199 PolarHBondContact OH-OH 3.26Å
155	L	98.9	Very high	98.9	Very high	27 Å²	27	32.2 Å²	32.2	14%	0.141	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-40.9	177	-66	-166.5	0	0	0	112	S149 D151 A157 V158 D159 Y199 F202	S149-L155 WeakPolarHBondContact O-CD2 3.19Å; D151-L155 WeakPolarHBondContact O-CG 3.36Å; D151-L155 PolarHBondContact O-N 3.23Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.11Å; L155-V158 PolarHBondContact O-N 2.85Å; L155-D159 WeakPolarHBondContact O-CB 3.28Å; L155-D159 PolarHBondContact O-N 2.66Å; L155-Y199 HydrophobicContact CD2-CD2 3.8Å; L155-F202 HydrophobicContact CB-CE1 4.33Å; L155-F202 HydrophobicContact CB-CE2 4.49Å; L155-F202 HydrophobicContact CB-CZ 4.2Å; L155-F202 HydrophobicContact CD1-CD2 4.15Å; L155-F202 HydrophobicContact CD1-CE2 4.49Å; L155-F202 HydrophobicContact CD1-CG 4.15Å; L155-F202 HydrophobicContact CD2-CD1 3.71Å; L155-F202 HydrophobicContact CD2-CE1 3.98Å; L155-F202 HydrophobicContact CD2-CG 4.13Å
156	A	98.9	Very high	98.9	Very high	47 Å²	47	31.8 Å²	31.8	39%	0.388	19%	0.188	S	C	.	.	H	α-helix	trans	-67.1	-32.7	178.5	0	0	0	0	0	113.2	P152 D153 Y154 K160	P152-A156 WeakPolarHBondContact O-CB 3.35Å; P152-A156 PolarHBondContact O-N 2.77Å; D153-A156 PolarHBondContact O-N 3.11Å; Y154-A156 VanDerWaalsContact C-N 3.33Å; Y154-A156 PolarHBondContact O-N 2.96Å; A156-K160 WeakPolarHBondContact O-CG 3.46Å; A156-K160 PolarHBondContact O-N 2.87Å
157	A	98.9	Very high	98.9	Very high	10 Å²	10	31.2 Å²	31.2	8%	0.083	19%	0.188	C	C	.	.	H	α-helix	trans	-71.4	-47.5	172.5	0	0	0	0	0	111.4	W86 W138 L139 D153 Y154 L155 D159 K160 W161	W86-A157 HydrophobicContact CH2-CB 3.83Å; W86-A157 HydrophobicContact CZ2-CB 4.21Å; W138-A157 HydrophobicContact CH2-CB 3.94Å; W138-A157 HydrophobicContact CZ3-CB 3.89Å; L139-A157 HydrophobicContact CD2-CB 3.51Å; D153-A157 WeakPolarHBondContact O-CB 3.44Å; D153-A157 PolarHBondContact O-N 3.19Å; Y154-A157 PolarHBondContact O-N 3.36Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.11Å; A157-D159 VanDerWaalsContact C-N 3.29Å; A157-D159 PolarHBondContact O-N 3.4Å; A157-K160 PolarHBondContact O-N 3.31Å; A157-W161 PolarHBondContact O-N 3.37Å; A157-W161 VanDerWaalsContact O-N 3.13Å
158	V	98.9	Very high	98.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-40.2	175.7	168.6	0	0	0	0	111.4	W86 P124 Y154 L155 K160 W161 L162 F202 L203	W86-V158 HydrophobicContact CH2-CG2 3.89Å; W86-V158 HydrophobicContact CZ3-CG2 3.66Å; P124-V158 HydrophobicContact CB-CG1 4.26Å; P124-V158 HydrophobicContact CB-CG2 4.07Å; P124-V158 HydrophobicContact CG-CG1 3.87Å; P124-V158 HydrophobicContact CG-CG2 3.81Å; Y154-V158 HydrophobicContact CD1-CG2 4.16Å; Y154-V158 HydrophobicContact CD2-CG2 4.41Å; Y154-V158 HydrophobicContact CE1-CG2 3.76Å; Y154-V158 HydrophobicContact CE2-CG2 4.03Å; Y154-V158 HydrophobicContact CG-CG2 4.47Å; Y154-V158 WeakPolarHBondContact O-CB 3.42Å; Y154-V158 WeakPolarHBondContact O-CG2 3.08Å; Y154-V158 PolarHBondContact O-N 3.05Å; L155-V158 PolarHBondContact O-N 2.85Å; V158-K160 PolarHBondContact O-N 3.19Å; V158-W161 PolarHBondContact O-N 2.71Å; V158-L162 HydrophobicContact CG1-CD1 3.67Å; V158-L162 HydrophobicContact CG1-CG 4.08Å; V158-L162 WeakPolarHBondContact O-CB 3.47Å; V158-L162 VanDerWaalsContact O-CG 3.32Å; V158-L162 WeakPolarHBondContact O-CG 3.4Å; V158-L162 PolarHBondContact O-N 3.24Å; V158-F202 HydrophobicContact CG1-CE1 4.2Å; V158-L203 HydrophobicContact CG1-CD2 3.76Å
159	D	98.9	Very high	98.9	Very high	50 Å²	50	33.8 Å²	33.8	27%	0.267	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-44.2	179.9	-160.7	8.8	0	0	0	112.4	L155 A157 W161 G163 F202 R206	L155-D159 WeakPolarHBondContact O-CB 3.28Å; L155-D159 PolarHBondContact O-N 2.66Å; A157-D159 VanDerWaalsContact C-N 3.29Å; A157-D159 PolarHBondContact O-N 3.4Å; D159-W161 PolarHBondContact O-N 2.73Å; D159-G163 PolarHBondContact O-N 3.49Å; D159-F202 HydrophobicContact CB-CZ 4.03Å; D159-R206 IonicContact OD1-CZ 3.9Å; D159-R206 IonicContact OD1-NE 2.77Å; D159-R206 PolarHBondContact OD1-NE 2.91Å; D159-R206 IonicContact OD1-NH2 3.62Å; D159-R206 PolarHBondContact OD1-NH2 2.88Å; D159-R206 IonicContact OD2-CZ 3.82Å; D159-R206 IonicContact OD2-NE 3.87Å; D159-R206 IonicContact OD2-NH2 2.98Å; D159-R206 PolarHBondContact OD2-NH2 3.12Å
160	K	98.9	Very high	98.9	Very high	141 Å²	141	37.8 Å²	37.8	61%	0.613	22%	0.216	S	C	*	.	H	α-helix	trans	-61.4	-45.7	176.6	-69.7	168.8	-175.4	173.3	0	110.9	A156 A157 V158 G163 V164	A156-K160 WeakPolarHBondContact O-CG 3.46Å; A156-K160 PolarHBondContact O-N 2.87Å; A157-K160 PolarHBondContact O-N 3.31Å; V158-K160 PolarHBondContact O-N 3.19Å; K160-G163 PolarHBondContact O-N 3Å; K160-V164 PolarHBondContact O-N 3.2Å; K160-V164 VanDerWaalsContact O-N 3.17Å
161	W	98.9	Very high	98.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-52.5	177.6	168.9	-126.7	0	0	0	112.6	V84 W86 H89 Y96 F98 A157 V158 D159 G163 V164 L165	V84-W161 HydrophobicContact CG1-CH2 4.36Å; V84-W161 HydrophobicContact CG1-CZ2 3.87Å; W86-W161 HydrophobicContact CB-CD2 4.38Å; W86-W161 HydrophobicContact CB-CZ2 4.21Å; W86-W161 AromaticContact CD1-CD1 3.81Å; W86-W161 AromaticContact CD1-CD2 3.23Å; W86-W161 AromaticContact CD1-CE2 3.57Å; W86-W161 AromaticContact CD1-CE3 3.58Å; W86-W161 AromaticContact CD1-CG 3.43Å; W86-W161 VanDerWaalsContact CD1-CG 3.43Å; W86-W161 AromaticContact CD1-NE1 3.88Å; W86-W161 HydrophobicContact CD2-CB 4.09Å; W86-W161 AromaticContact CD2-CD1 3.58Å; W86-W161 HydrophobicContact CD2-CD2 4.3Å; W86-W161 AromaticContact CD2-CG 3.72Å; W86-W161 HydrophobicContact CD2-CG 3.72Å; W86-W161 VanDerWaalsContact CE2-CB 3.44Å; W86-W161 AromaticContact CE2-CD1 3.89Å; W86-W161 AromaticContact CE2-CG 3.55Å; W86-W161 HydrophobicContact CG-CB 4.45Å; W86-W161 AromaticContact CG-CD1 3.58Å; W86-W161 AromaticContact CG-CD2 3.75Å; W86-W161 HydrophobicContact CG-CD2 3.75Å; W86-W161 AromaticContact CG-CE2 3.71Å; W86-W161 HydrophobicContact CG-CE3 4.48Å; W86-W161 AromaticContact CG-CG 3.69Å; W86-W161 HydrophobicContact CG-CG 3.69Å; W86-W161 HydrophobicContact CG-CZ2 4.42Å; W86-W161 AromaticContact CG-NE1 3.59Å; W86-W161 HydrophobicContact CH2-CB 4.43Å; W86-W161 HydrophobicContact CZ2-CB 3.64Å; W86-W161 HydrophobicContact CZ2-CG 4.22Å; W86-W161 AromaticContact NE1-CD2 3.56Å; W86-W161 AromaticContact NE1-CE3 3.86Å; W86-W161 AromaticContact NE1-CG 3.36Å; H89-W161 HydrophobicContact CB-CH2 3.31Å; H89-W161 HydrophobicContact CB-CZ2 4.29Å; H89-W161 HydrophobicContact CB-CZ3 3.64Å; H89-W161 AromaticContact CD2-CH2 3.96Å; H89-W161 AromaticContact CG-CH2 3.81Å; Y96-W161 HydrophobicContact CD1-CZ3 4.36Å; Y96-W161 HydrophobicContact CE1-CE3 4.22Å; Y96-W161 HydrophobicContact CE1-CZ3 4.45Å; F98-W161 HydrophobicContact CE1-CH2 4.39Å; F98-W161 HydrophobicContact CE2-CZ3 4.33Å; F98-W161 AromaticContact CZ-CH2 3.81Å; F98-W161 HydrophobicContact CZ-CH2 3.81Å; F98-W161 AromaticContact CZ-CZ3 3.74Å; F98-W161 HydrophobicContact CZ-CZ3 3.74Å; A157-W161 PolarHBondContact O-N 3.37Å; A157-W161 VanDerWaalsContact O-N 3.13Å; V158-W161 PolarHBondContact O-N 2.71Å; D159-W161 PolarHBondContact O-N 2.73Å; W161-G163 PolarHBondContact O-N 3.46Å; W161-V164 PolarHBondContact O-N 3.44Å; W161-L165 HydrophobicContact CD2-CB 4.36Å; W161-L165 HydrophobicContact CE3-CB 4.47Å; W161-L165 HydrophobicContact CH2-CB 4.02Å; W161-L165 HydrophobicContact CH2-CD1 4.04Å; W161-L165 HydrophobicContact CH2-CD2 4.38Å; W161-L165 HydrophobicContact CH2-CG 4.35Å; W161-L165 HydrophobicContact CZ2-CB 3.95Å; W161-L165 HydrophobicContact CZ2-CD1 4.11Å; W161-L165 HydrophobicContact CZ2-CD2 3.65Å; W161-L165 HydrophobicContact CZ2-CG 4.09Å; W161-L165 HydrophobicContact CZ3-CB 4.31Å; W161-L165 PolarHBondContact O-N 3.09Å
162	L	98.9	Very high	98.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-33.9	178.2	-65.2	178.5	0	0	0	111.7	V158 V164 L166 P167 L203 R206 F207	V158-L162 HydrophobicContact CG1-CD1 3.67Å; V158-L162 HydrophobicContact CG1-CG 4.08Å; V158-L162 WeakPolarHBondContact O-CB 3.47Å; V158-L162 VanDerWaalsContact O-CG 3.32Å; V158-L162 WeakPolarHBondContact O-CG 3.4Å; V158-L162 PolarHBondContact O-N 3.24Å; L162-V164 PolarHBondContact O-N 3.48Å; L162-L166 HydrophobicContact CB-CD1 4.04Å; L162-L166 HydrophobicContact CB-CG 4.17Å; L162-L166 HydrophobicContact CD2-CD1 4.11Å; L162-L166 HydrophobicContact CD2-CD2 4.34Å; L162-L166 HydrophobicContact CD2-CG 4.08Å; L162-L166 HydrophobicContact CG-CD1 4.49Å; L162-L166 VanDerWaalsContact O-CB 3.29Å; L162-L166 WeakPolarHBondContact O-CB 3.21Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 3.34Å; L162-P167 WeakPolarHBondContact O-CD 3.35Å; L162-L203 HydrophobicContact CD1-CD2 3.98Å; L162-R206 HydrophobicContact CD1-CB 4.17Å; L162-F207 HydrophobicContact CD1-CD2 4.06Å; L162-F207 HydrophobicContact CD1-CE2 3.66Å; L162-F207 HydrophobicContact CD2-CE2 3.78Å; L162-F207 HydrophobicContact CD2-CZ 4.22Å; L162-F207 HydrophobicContact CG-CE2 4.38Å
163	G	98.9	Very high	98.9	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-17.7	172.4	0	0	0	0	0	114.8	D159 K160 W161 P167	D159-G163 PolarHBondContact O-N 3.49Å; K160-G163 PolarHBondContact O-N 3Å; W161-G163 PolarHBondContact O-N 3.46Å; G163-P167 WeakPolarHBondContact O-CG 3.49Å
164	V	98.9	Very high	98.9	Very high	41 Å²	41	31.1 Å²	31.1	25%	0.248	18%	0.176	C	C	.	.	H	α-helix	trans	-97.7	-47.8	171.5	172.9	0	0	0	0	111.3	Y96 F98 K160 W161 L162	Y96-V164 HydrophobicContact CD1-CG1 4.16Å; Y96-V164 HydrophobicContact CD2-CG1 4.43Å; Y96-V164 HydrophobicContact CE1-CB 4.37Å; Y96-V164 HydrophobicContact CE1-CG1 4.2Å; Y96-V164 HydrophobicContact CE1-CG2 4.27Å; Y96-V164 HydrophobicContact CE2-CG1 4.46Å; Y96-V164 HydrophobicContact CE2-CG2 3.96Å; Y96-V164 HydrophobicContact CG-CG1 4.3Å; F98-V164 HydrophobicContact CE2-CG1 3.89Å; F98-V164 HydrophobicContact CZ-CG1 4.35Å; K160-V164 PolarHBondContact O-N 3.2Å; K160-V164 VanDerWaalsContact O-N 3.17Å; W161-V164 PolarHBondContact O-N 3.44Å; L162-V164 PolarHBondContact O-N 3.48Å
165	L	98.9	Very high	98.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.9	-53.3	-175.8	179.3	68.8	0	0	0	112.7	V84 F98 P122 W161 K168 M169	V84-L165 HydrophobicContact CB-CD2 4.29Å; V84-L165 HydrophobicContact CG1-CD1 3.87Å; V84-L165 HydrophobicContact CG1-CD2 3.92Å; V84-L165 HydrophobicContact CG2-CD2 4.49Å; F98-L165 HydrophobicContact CE1-CD1 4.28Å; F98-L165 HydrophobicContact CZ-CD1 4.47Å; P122-L165 HydrophobicContact CB-CD2 3.57Å; W161-L165 HydrophobicContact CD2-CB 4.36Å; W161-L165 HydrophobicContact CE3-CB 4.47Å; W161-L165 HydrophobicContact CH2-CB 4.02Å; W161-L165 HydrophobicContact CH2-CD1 4.04Å; W161-L165 HydrophobicContact CH2-CD2 4.38Å; W161-L165 HydrophobicContact CH2-CG 4.35Å; W161-L165 HydrophobicContact CZ2-CB 3.95Å; W161-L165 HydrophobicContact CZ2-CD1 4.11Å; W161-L165 HydrophobicContact CZ2-CD2 3.65Å; W161-L165 HydrophobicContact CZ2-CG 4.09Å; W161-L165 HydrophobicContact CZ3-CB 4.31Å; W161-L165 PolarHBondContact O-N 3.09Å; L165-K168 WeakPolarHBondContact O-CA 3.45Å; L165-K168 VanDerWaalsContact O-CB 3.3Å; L165-K168 WeakPolarHBondContact O-CB 3.32Å; L165-K168 PolarHBondContact O-N 3.18Å; L165-M169 HydrophobicContact CD1-CE 4.19Å; L165-M169 HydrophobicContact CD1-CG 4.21Å; L165-M169 HydrophobicContact CD1-SD 4.5Å; L165-M169 HydrophobicContact CG-CG 4.16Å; L165-M169 WeakPolarHBondContact O-CG 3.31Å; L165-M169 PolarHBondContact O-N 3.45Å; L165-M169 VanDerWaalsContact O-N 3.12Å
166	L	98.9	Very high	98.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-33.8	-168.2	-59.3	-173	0	0	0	113.5	P122 L162 K168 M169 K170 F207 H210 L211	P122-L166 HydrophobicContact CB-CD2 4.47Å; P122-L166 HydrophobicContact CG-CD2 4.42Å; L162-L166 HydrophobicContact CB-CD1 4.04Å; L162-L166 HydrophobicContact CB-CG 4.17Å; L162-L166 HydrophobicContact CD2-CD1 4.11Å; L162-L166 HydrophobicContact CD2-CD2 4.34Å; L162-L166 HydrophobicContact CD2-CG 4.08Å; L162-L166 HydrophobicContact CG-CD1 4.49Å; L162-L166 VanDerWaalsContact O-CB 3.29Å; L162-L166 WeakPolarHBondContact O-CB 3.21Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 3.34Å; L166-K168 VanDerWaalsContact C-N 3.28Å; L166-K168 PolarHBondContact O-N 2.85Å; L166-M169 PolarHBondContact O-N 3.36Å; L166-M169 VanDerWaalsContact O-N 3.14Å; L166-K170 PolarHBondContact O-N 3.3Å; L166-F207 HydrophobicContact CD1-CB 4.42Å; L166-F207 HydrophobicContact CD1-CD1 4.43Å; L166-F207 HydrophobicContact CD1-CD2 3.82Å; L166-F207 HydrophobicContact CD1-CE2 4.23Å; L166-F207 HydrophobicContact CD1-CG 3.95Å; L166-H210 HydrophobicContact CB-CB 3.49Å; L166-H210 VanDerWaalsContact CB-CB 3.49Å; L166-H210 HydrophobicContact CD1-CB 4.11Å; L166-H210 HydrophobicContact CG-CB 4.48Å; L166-L211 HydrophobicContact CB-CD2 4.04Å; L166-L211 HydrophobicContact CB-CG 4.45Å; L166-L211 HydrophobicContact CD2-CD1 4.45Å; L166-L211 HydrophobicContact CD2-CD2 4.45Å
167	P	98.9	Very high	98.8	Very high	59 Å²	59	34.5 Å²	34.5	38%	0.383	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-32.8	168.6	-29.1	39	0	0	0	114.4	L162 G163 P171	L162-P167 WeakPolarHBondContact O-CD 3.35Å; G163-P167 WeakPolarHBondContact O-CG 3.49Å; P167-P171 WeakPolarHBondContact O-CD 3.22Å
168	K	98.9	Very high	98.8	Very high	57 Å²	57	34.2 Å²	34.2	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-70.1	-35	172.9	-63.8	167.8	161.3	-79.3	0	111.9	F98 E105 L165 L166 P171	F98-K168 HydrophobicContact CD1-CD 4.29Å; F98-K168 HydrophobicContact CD2-CD 4.42Å; F98-K168 HydrophobicContact CE1-CD 4.01Å; F98-K168 HydrophobicContact CE2-CD 4.16Å; F98-K168 HydrophobicContact CG-CD 4.48Å; F98-K168 HydrophobicContact CZ-CD 3.94Å; E105-K168 HydrophobicContact CG-CB 4.21Å; E105-K168 WeakPolarHBondContact OE1-CD 3.39Å; E105-K168 WeakPolarHBondContact OE1-CG 3.26Å; E105-K168 IonicContact OE1-NZ 3.81Å; E105-K168 PolarHBondContact OE1-NZ 3.38Å; L165-K168 WeakPolarHBondContact O-CA 3.45Å; L165-K168 VanDerWaalsContact O-CB 3.3Å; L165-K168 WeakPolarHBondContact O-CB 3.32Å; L165-K168 PolarHBondContact O-N 3.18Å; L166-K168 VanDerWaalsContact C-N 3.28Å; L166-K168 PolarHBondContact O-N 2.85Å; K168-P171 WeakPolarHBondContact O-CD 3.45Å; K168-P171 WeakPolarHBondContact O-CG 3.42Å
169	M	98.9	Very high	98.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-77	-29.2	178.5	-59.6	-60.1	102.9	0	0	112.8	V104 E105 L108 L120 L165 L166 L172 L173 I180 L211	V104-M169 HydrophobicContact CG1-CE 4.06Å; E105-M169 HydrophobicContact CG-CE 4.17Å; L108-M169 HydrophobicContact CD1-CE 4Å; L108-M169 HydrophobicContact CD1-SD 3.52Å; L108-M169 VanDerWaalsContact CD1-SD 3.52Å; L120-M169 HydrophobicContact CD1-SD 4.33Å; L120-M169 HydrophobicContact CD2-CB 4.15Å; L120-M169 HydrophobicContact CD2-CG 3.62Å; L120-M169 HydrophobicContact CD2-SD 3.55Å; L120-M169 VanDerWaalsContact CD2-SD 3.55Å; L165-M169 HydrophobicContact CD1-CE 4.19Å; L165-M169 HydrophobicContact CD1-CG 4.21Å; L165-M169 HydrophobicContact CD1-SD 4.5Å; L165-M169 HydrophobicContact CG-CG 4.16Å; L165-M169 WeakPolarHBondContact O-CG 3.31Å; L165-M169 PolarHBondContact O-N 3.45Å; L165-M169 VanDerWaalsContact O-N 3.12Å; L166-M169 PolarHBondContact O-N 3.36Å; L166-M169 VanDerWaalsContact O-N 3.14Å; M169-L172 HydrophobicContact CE-CD1 4.2Å; M169-L172 CarbonylContact O-C 3.59Å; M169-L172 WeakPolarHBondContact O-CA 3.46Å; M169-L172 WeakPolarHBondContact O-CB 3.22Å; M169-L172 PolarHBondContact O-N 3Å; M169-L173 PolarHBondContact O-N 3.44Å; M169-I180 HydrophobicContact CB-CD1 4.28Å; M169-I180 HydrophobicContact SD-CD1 4.31Å; M169-L211 HydrophobicContact CB-CD2 4.34Å
170	K	98.9	Very high	98.8	Very high	88 Å²	88	31.9 Å²	31.9	38%	0.383	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-49.9	-51.7	-180	-169.1	-178.8	-162.4	140.8	0	114.9	L166 L172 L173 N176 H210	L166-K170 PolarHBondContact O-N 3.3Å; K170-L172 PolarHBondContact O-N 2.97Å; K170-L173 HydrophobicContact CG-CD1 4.37Å; K170-L173 WeakPolarHBondContact O-CB 3.28Å; K170-L173 VanDerWaalsContact O-CG 3.32Å; K170-L173 WeakPolarHBondContact O-CG 3.42Å; K170-L173 PolarHBondContact O-N 2.73Å; K170-N176 PolarHBondContact O-ND2 3.41Å; K170-H210 VanDerWaalsContact CD-O 3.23Å; K170-H210 WeakPolarHBondContact CD-O 3.48Å; K170-H210 VanDerWaalsContact CE-O 3.29Å; K170-H210 WeakPolarHBondContact CE-O 3.25Å; K170-H210 PolarHBondContact NZ-O 3.04Å
171	P	98.8	Very high	98.8	Very high	79 Å²	79	25.2 Å²	25.2	51%	0.513	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-66.3	-18.3	177.1	27.3	-36.5	0	0	0	113.3	P167 K168	P167-P171 WeakPolarHBondContact O-CD 3.22Å; K168-P171 WeakPolarHBondContact O-CD 3.45Å; K168-P171 WeakPolarHBondContact O-CG 3.42Å
172	L	98.9	Very high	98.8	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.079	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-88.4	-2.4	178.8	-60.4	171.2	0	0	0	113.1	E105 L108 R109 M169 K170 G178 P179 I180	E105-L172 HydrophobicContact CB-CD1 4.38Å; L108-L172 HydrophobicContact CB-CD1 3.96Å; L108-L172 HydrophobicContact CD1-CD1 3.76Å; R109-L172 HydrophobicContact CG-CD2 3.85Å; M169-L172 HydrophobicContact CE-CD1 4.2Å; M169-L172 CarbonylContact O-C 3.59Å; M169-L172 WeakPolarHBondContact O-CA 3.46Å; M169-L172 WeakPolarHBondContact O-CB 3.22Å; M169-L172 PolarHBondContact O-N 3Å; K170-L172 PolarHBondContact O-N 2.97Å; L172-G178 CarbonylContact O-C 3.59Å; L172-G178 VanDerWaalsContact O-CA 3.24Å; L172-G178 WeakPolarHBondContact O-CA 3.16Å; L172-P179 VanDerWaalsContact O-CD 3.26Å; L172-P179 WeakPolarHBondContact O-CD 3.45Å; L172-P179 VanDerWaalsContact O-N 3.11Å; L172-I180 HydrophobicContact CB-CD1 3.58Å; L172-I180 HydrophobicContact CB-CG1 4.2Å; L172-I180 WeakPolarHBondContact O-CB 3.35Å; L172-I180 WeakPolarHBondContact O-CG1 3.42Å; L172-I180 PolarHBondContact O-N 3.06Å
173	L	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-65.7	147.1	172.5	-61.9	175.5	0	0	0	112.1	M169 K170 Q175 N176 G177 G178 I180 V183 L211 V215	M169-L173 PolarHBondContact O-N 3.44Å; K170-L173 HydrophobicContact CG-CD1 4.37Å; K170-L173 WeakPolarHBondContact O-CB 3.28Å; K170-L173 VanDerWaalsContact O-CG 3.32Å; K170-L173 WeakPolarHBondContact O-CG 3.42Å; K170-L173 PolarHBondContact O-N 2.73Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 2.8Å; L173-N176 HydrophobicContact CB-CB 4.42Å; L173-N176 CarbonylContact O-C 3.1Å; L173-N176 WeakPolarHBondContact O-CA 3.32Å; L173-N176 PolarHBondContact O-N 2.65Å; L173-G177 PolarHBondContact O-N 2.99Å; L173-G177 VanDerWaalsContact O-N 3.11Å; L173-G178 PolarHBondContact O-N 2.82Å; L173-I180 HydrophobicContact CD2-CB 4.19Å; L173-I180 HydrophobicContact CD2-CG2 4.06Å; L173-V183 HydrophobicContact CD2-CG2 4.34Å; L173-L211 HydrophobicContact CD1-CB 3.94Å; L173-L211 HydrophobicContact CD1-CD2 4.16Å; L173-L211 WeakPolarHBondContact CD1-O 3.37Å; L173-L211 HydrophobicContact CD2-CD2 4.47Å; L173-V215 HydrophobicContact CD2-CG2 3.92Å
174	Y	98.9	Very high	98.8	Very high	8 Å²	8	23.9 Å²	23.9	3%	0.031	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-56.8	-43.9	-174.9	-171.9	-94	0	0	0	113.1	R30 V31 F32 K43 D44 L117 N176 G177 G178 I180 I181	R30-Y174 HydrophobicContact CB-CD1 3.99Å; R30-Y174 HydrophobicContact CB-CE1 3.65Å; R30-Y174 WeakPolarHBondContact CB-O 3.45Å; R30-Y174 HydrophobicContact CG-CE1 4.18Å; R30-Y174 PolarHBondContact NE-O 3.14Å; R30-Y174 PolarHBondContact NH2-O 3.05Å; V31-Y174 WeakPolarHBondContact O-CE1 3.32Å; F32-Y174 HydrophobicContact CB-CD1 3.79Å; F32-Y174 HydrophobicContact CB-CG 4.17Å; K43-Y174 HydrophobicContact CD-CE2 4.45Å; K43-Y174 WeakPolarHBondContact CE-OH 3.2Å; K43-Y174 HydrophobicContact CG-CE1 4.15Å; K43-Y174 HydrophobicContact CG-CE2 4.42Å; K43-Y174 PolarHBondContact NZ-OH 3.37Å; D44-Y174 VanDerWaalsContact CG-OH 3.27Å; D44-Y174 WeakPolarHBondContact OD1-CE1 3.38Å; D44-Y174 PolarHBondContact OD1-OH 2.96Å; D44-Y174 PolarHBondContact OD2-OH 3.16Å; L117-Y174 HydrophobicContact CD2-CD2 3.84Å; L117-Y174 HydrophobicContact CD2-CE2 3.73Å; Y174-N176 VanDerWaalsContact C-N 3.26Å; Y174-N176 PolarHBondContact O-N 3.16Å; Y174-G177 PolarHBondContact O-N 2.75Å; Y174-G178 WeakPolarHBondContact CA-O 3.46Å; Y174-I180 VanDerWaalsContact CB-O 3.27Å; Y174-I180 WeakPolarHBondContact CB-O 3.34Å; Y174-I180 PolarHBondContact N-O 3.02Å; Y174-I181 HydrophobicContact CD2-CG2 3.61Å; Y174-I181 HydrophobicContact CE2-CG2 4.44Å; Y174-I181 HydrophobicContact CG-CG2 3.87Å
175	Q	98.3	Very high	98.8	Very high	26 Å²	26	22 Å²	22	12%	0.121	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-68.3	-21.9	177.3	65.9	-84.6	29.8	0	0	113.9	R30 L173 D214	R30-Q175 VanDerWaalsContact O-CA 3.27Å; R30-Q175 WeakPolarHBondContact O-CA 3.36Å; R30-Q175 VanDerWaalsContact O-CB 3.3Å; R30-Q175 WeakPolarHBondContact O-CB 3.39Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; L173-Q175 PolarHBondContact O-N 2.8Å; Q175-D214 HydrophobicContact CG-CB 4.2Å
176	N	98.4	Very high	98.8	Very high	86 Å²	86	22.1 Å²	22.1	46%	0.46	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-95	-1.8	176.1	-64	-29.9	0	0	0	112.9	K170 L173 Y174	K170-N176 PolarHBondContact O-ND2 3.41Å; L173-N176 HydrophobicContact CB-CB 4.42Å; L173-N176 CarbonylContact O-C 3.1Å; L173-N176 WeakPolarHBondContact O-CA 3.32Å; L173-N176 PolarHBondContact O-N 2.65Å; Y174-N176 VanDerWaalsContact C-N 3.26Å; Y174-N176 PolarHBondContact O-N 3.16Å
177	G	98	Very high	98.8	Very high	32 Å²	32	22.1 Å²	22.1	33%	0.33	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	-8.7	175.2	0	0	0	0	0	115.6	R30 H112 L173 Y174	R30-G177 VanDerWaalsContact NH1-C 3.28Å; R30-G177 PolarHBondContact NH1-O 2.9Å; H112-G177 PolarHBondContact NE2-O 2.75Å; L173-G177 PolarHBondContact O-N 2.99Å; L173-G177 VanDerWaalsContact O-N 3.11Å; Y174-G177 PolarHBondContact O-N 2.75Å
178	G	98.6	Very high	98.8	Very high	5 Å²	5	20.5 Å²	20.5	5%	0.052	11%	0.113	C	C	.	.	S	Bend	trans	-87.6	-167.9	178.1	0	0	0	0	0	114.7	R30 L172 L173 Y174	R30-G178 PolarHBondContact NH2-O 3.25Å; L172-G178 CarbonylContact O-C 3.59Å; L172-G178 VanDerWaalsContact O-CA 3.24Å; L172-G178 WeakPolarHBondContact O-CA 3.16Å; L173-G178 PolarHBondContact O-N 2.82Å; Y174-G178 WeakPolarHBondContact CA-O 3.46Å
179	P	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-88.9	-17.3	-175.6	35.2	-37.9	0	0	0	115.6	H112 L117 V118 L172 I181	H112-P179 HydrophobicContact CB-CB 3.87Å; H112-P179 HydrophobicContact CB-CG 3.94Å; L117-P179 WeakPolarHBondContact CA-O 3.31Å; V118-P179 HydrophobicContact CB-CB 4.29Å; V118-P179 HydrophobicContact CB-CG 4.31Å; V118-P179 HydrophobicContact CG2-CB 3.86Å; V118-P179 HydrophobicContact CG2-CG 3.82Å; V118-P179 PolarHBondContact N-O 3.01Å; L172-P179 VanDerWaalsContact O-CD 3.26Å; L172-P179 WeakPolarHBondContact O-CD 3.45Å; L172-P179 VanDerWaalsContact O-N 3.11Å; P179-I181 PolarHBondContact O-N 3.08Å
180	I	98.9	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	113.3	-166.6	-54.5	164.7	0	0	0	110.7	L108 V118 L120 M169 L172 L173 Y174 V183	L108-I180 HydrophobicContact CD1-CD1 4.28Å; V118-I180 HydrophobicContact CB-CG1 4.2Å; V118-I180 HydrophobicContact CG1-CG1 4.26Å; V118-I180 CarbonylContact O-C 3.59Å; V118-I180 WeakPolarHBondContact O-CA 3.49Å; L120-I180 HydrophobicContact CB-CG2 3.91Å; L120-I180 HydrophobicContact CD2-CD1 4.14Å; M169-I180 HydrophobicContact CB-CD1 4.28Å; M169-I180 HydrophobicContact SD-CD1 4.31Å; L172-I180 HydrophobicContact CB-CD1 3.58Å; L172-I180 HydrophobicContact CB-CG1 4.2Å; L172-I180 WeakPolarHBondContact O-CB 3.35Å; L172-I180 WeakPolarHBondContact O-CG1 3.42Å; L172-I180 PolarHBondContact O-N 3.06Å; L173-I180 HydrophobicContact CD2-CB 4.19Å; L173-I180 HydrophobicContact CD2-CG2 4.06Å; Y174-I180 VanDerWaalsContact CB-O 3.27Å; Y174-I180 WeakPolarHBondContact CB-O 3.34Å; Y174-I180 PolarHBondContact N-O 3.02Å; I180-V183 HydrophobicContact CG2-CG2 3.73Å
181	I	98.9	Very high	98.7	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-33.7	-177.1	48.9	164.7	0	0	0	113.8	F32 F48 Y50 T79 L117 V118 Y174 P179	F32-I181 HydrophobicContact CB-CG2 4.37Å; F32-I181 HydrophobicContact CD1-CB 3.84Å; F32-I181 HydrophobicContact CD1-CG2 4.41Å; F32-I181 WeakPolarHBondContact CD1-O 3.27Å; F32-I181 HydrophobicContact CD2-CB 3.77Å; F32-I181 HydrophobicContact CD2-CG2 3.49Å; F32-I181 VanDerWaalsContact CD2-CG2 3.49Å; F32-I181 HydrophobicContact CE1-CB 3.88Å; F32-I181 HydrophobicContact CE1-CD1 4.39Å; F32-I181 HydrophobicContact CE2-CB 3.8Å; F32-I181 HydrophobicContact CE2-CD1 3.85Å; F32-I181 HydrophobicContact CE2-CG1 4.43Å; F32-I181 HydrophobicContact CE2-CG2 3.78Å; F32-I181 HydrophobicContact CG-CB 3.78Å; F32-I181 HydrophobicContact CG-CG2 3.83Å; F32-I181 HydrophobicContact CZ-CB 3.87Å; F32-I181 HydrophobicContact CZ-CD1 3.71Å; F32-I181 HydrophobicContact CZ-CG1 4.29Å; F32-I181 HydrophobicContact CZ-CG2 4.38Å; F48-I181 HydrophobicContact CE1-CD1 4.1Å; Y50-I181 HydrophobicContact CD1-CD1 4.25Å; T79-I181 HydrophobicContact CG2-CD1 4.1Å; L117-I181 HydrophobicContact CB-CD1 4.07Å; L117-I181 HydrophobicContact CB-CG1 4.22Å; L117-I181 HydrophobicContact CB-CG2 4.21Å; L117-I181 HydrophobicContact CD1-CD1 4.26Å; L117-I181 HydrophobicContact CD1-CG2 4.15Å; L117-I181 HydrophobicContact CD2-CG2 3.99Å; L117-I181 HydrophobicContact CG-CG2 4.33Å; V118-I181 VanDerWaalsContact O-CG1 3.26Å; V118-I181 WeakPolarHBondContact O-CG1 3.37Å; V118-I181 PolarHBondContact O-N 3.37Å; Y174-I181 HydrophobicContact CD2-CG2 3.61Å; Y174-I181 HydrophobicContact CE2-CG2 4.44Å; Y174-I181 HydrophobicContact CG-CG2 3.87Å; P179-I181 PolarHBondContact O-N 3.08Å
182	T	98.9	Very high	98.7	Very high	2 Å²	2	12 Å²	12	1%	0.012	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.1	176.4	68.9	0	0	0	0	109.9	F32 F41 I119 L120 V216 F218	F32-T182 HydrophobicContact CD1-CG2 4.36Å; F32-T182 HydrophobicContact CE1-CG2 3.68Å; F32-T182 HydrophobicContact CZ-CG2 4.47Å; F41-T182 HydrophobicContact CE1-CG2 4.26Å; F41-T182 HydrophobicContact CZ-CG2 4.27Å; I119-T182 WeakPolarHBondContact CG2-OG1 3.34Å; L120-T182 PolarHBondContact N-O 3.06Å; L120-T182 VanDerWaalsContact N-O 3.07Å; T182-V216 WeakPolarHBondContact CA-O 3.32Å; T182-V216 HydrophobicContact CG2-CB 4.01Å; T182-V216 HydrophobicContact CG2-CG1 3.98Å; T182-F218 WeakPolarHBondContact OG1-CE1 3.32Å
183	V	99	Very high	98.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.5	179.2	-175	0	0	0	0	110	L120 P122 L173 I180 F207 L211 V215 V216 L217 F218	L120-V183 HydrophobicContact CB-CG2 4.42Å; L120-V183 CarbonylContact O-C 3.46Å; L120-V183 VanDerWaalsContact O-CA 3.3Å; L120-V183 WeakPolarHBondContact O-CA 3.06Å; P122-V183 HydrophobicContact CG-CG1 3.69Å; L173-V183 HydrophobicContact CD2-CG2 4.34Å; I180-V183 HydrophobicContact CG2-CG2 3.73Å; V183-F207 HydrophobicContact CG1-CD1 3.97Å; V183-F207 HydrophobicContact CG1-CE1 3.76Å; V183-L211 HydrophobicContact CG1-CD1 4.31Å; V183-L211 HydrophobicContact CG2-CD1 4.22Å; V183-V215 HydrophobicContact CB-CG2 4.46Å; V183-V215 HydrophobicContact CG2-CG2 3.8Å; V183-V216 PolarHBondContact N-O 3.44Å; V183-L217 HydrophobicContact CB-CD2 3.87Å; V183-L217 HydrophobicContact CG1-CD2 4.44Å; V183-L217 WeakPolarHBondContact O-CA 3.31Å; V183-F218 VanDerWaalsContact C-CD1 3.44Å; V183-F218 VanDerWaalsContact C-CE1 3.45Å; V183-F218 WeakPolarHBondContact O-CD1 3.42Å; V183-F218 PolarHBondContact O-N 3.47Å; V183-F218 VanDerWaalsContact O-N 3.11Å
184	Q	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	140.9	176.5	-158.1	-178.9	-81.2	0	0	110.2	L120 R121 P122 E186 N187 F207 F218 T220	L120-Q184 PolarHBondContact O-N 2.87Å; R121-Q184 HydrophobicContact CB-CB 4.15Å; R121-Q184 VanDerWaalsContact CD-CD 3.48Å; R121-Q184 HydrophobicContact CG-CB 3.79Å; P122-Q184 WeakPolarHBondContact CD-O 3.46Å; Q184-E186 PolarHBondContact NE2-O 3.41Å; Q184-N187 PolarHBondContact NE2-OD1 3.23Å; Q184-F207 WeakPolarHBondContact O-CE1 3.35Å; Q184-F218 CarbonylContact C-O 3.59Å; Q184-F218 WeakPolarHBondContact CA-O 3.4Å; Q184-F218 HydrophobicContact CB-CD1 4.27Å; Q184-F218 HydrophobicContact CB-CD2 4.44Å; Q184-F218 HydrophobicContact CB-CE1 3.74Å; Q184-F218 HydrophobicContact CB-CE2 3.95Å; Q184-F218 HydrophobicContact CB-CZ 3.57Å; Q184-F218 HydrophobicContact CG-CD2 4.05Å; Q184-F218 HydrophobicContact CG-CE1 4.38Å; Q184-F218 HydrophobicContact CG-CE2 3.73Å; Q184-F218 HydrophobicContact CG-CZ 3.91Å; Q184-F218 VanDerWaalsContact N-CE1 3.25Å; Q184-T220 VanDerWaalsContact OE1-CB 3.32Å; Q184-T220 PolarHBondContact OE1-OG1 3.35Å
185	V	98.9	Very high	98.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	12%	0.12	C	C	.	.			trans	-106.2	126.9	170.9	-179.6	0	0	0	0	108	L203 F207 L217 F218 L236	V185-L203 HydrophobicContact CG1-CB 3.52Å; V185-L203 HydrophobicContact CG1-CD1 3.91Å; V185-L203 HydrophobicContact CG1-CG 4.4Å; V185-F207 HydrophobicContact CG2-CD1 3.79Å; V185-F207 HydrophobicContact CG2-CE1 3.93Å; V185-F207 HydrophobicContact CG2-CG 4.21Å; V185-F207 HydrophobicContact CG2-CZ 4.49Å; V185-L217 HydrophobicContact CG2-CB 4.15Å; V185-L217 HydrophobicContact CG2-CD1 4.2Å; V185-L217 HydrophobicContact CG2-CD2 4.46Å; V185-F218 PolarHBondContact N-O 3.45Å; V185-L236 HydrophobicContact CB-CD1 3.92Å; V185-L236 HydrophobicContact CB-CD2 4.45Å; V185-L236 HydrophobicContact CG1-CD1 4.02Å; V185-L236 HydrophobicContact CG2-CD1 4.22Å; V185-L236 HydrophobicContact CG2-CD2 3.85Å
186	E	98.9	Very high	98.7	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.009	12%	0.123	C	C	.	.	S	Bend	trans	58.8	-167.9	-172.8	-117.3	-77.3	161.8	0	0	112.4	G123 R148 Q184 Y189 Y199 L200 L203	G123-E186 PolarHBondContact O-N 3.3Å; R148-E186 IonicContact CZ-OE1 3.74Å; R148-E186 IonicContact CZ-OE2 3.7Å; R148-E186 IonicContact NE-OE1 2.69Å; R148-E186 PolarHBondContact NE-OE1 2.94Å; R148-E186 IonicContact NE-OE2 2.72Å; R148-E186 PolarHBondContact NE-OE2 3.32Å; R148-E186 IonicContact NH2-OE1 3.93Å; R148-E186 IonicContact NH2-OE2 3.97Å; R148-E186 PolarHBondContact NH2-OE2 3.29Å; Q184-E186 PolarHBondContact NE2-O 3.41Å; E186-Y189 HydrophobicContact CG-CD2 4.16Å; E186-Y189 HydrophobicContact CG-CG 4.49Å; E186-Y199 HydrophobicContact CG-CE1 3.55Å; E186-Y199 WeakPolarHBondContact CG-OH 3.41Å; E186-Y199 WeakPolarHBondContact OE1-CE1 3.23Å; E186-Y199 PolarHBondContact OE1-OH 2.86Å; E186-L200 HydrophobicContact CB-CD2 4.01Å; E186-L200 HydrophobicContact CG-CD2 3.93Å; E186-L203 HydrophobicContact CB-CD1 4.08Å; E186-L203 HydrophobicContact CG-CD1 3.64Å
187	N	98.9	Very high	98.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-152.7	120.2	169	-170.7	77.5	0	0	0	111.8	Y83 R121 Y125 R148 Q184 Y189	Y83-N187 HydrophobicContact CE1-CB 4.38Å; Y83-N187 PolarHBondContact OH-ND2 3.47Å; Y83-N187 PolarHBondContact OH-OD1 3.48Å; R121-N187 PolarHBondContact NH1-OD1 3.24Å; Y125-N187 HydrophobicContact CD1-CB 4.24Å; Y125-N187 HydrophobicContact CE1-CB 4.44Å; Y125-N187 WeakPolarHBondContact CE1-O 3.37Å; R148-N187 PolarHBondContact NH2-O 2.77Å; Q184-N187 PolarHBondContact NE2-OD1 3.23Å; N187-Y189 VanDerWaalsContact C-N 3.32Å; N187-Y189 PolarHBondContact O-N 3.01Å
188	E	98.7	Very high	98.7	Very high	24 Å²	24	22.7 Å²	22.7	11%	0.112	12%	0.123	C	C	.	.			trans	46.8	54.3	-178.7	-62.4	-178.4	88	0	0	112	R148 G190 S191 T220 D221	R148-E188 PolarHBondContact NH2-O 3.17Å; E188-G190 PolarHBondContact O-N 3.06Å; E188-S191 WeakPolarHBondContact O-CB 3.34Å; E188-S191 PolarHBondContact O-N 3.28Å; E188-S191 VanDerWaalsContact O-N 3.11Å; E188-T220 WeakPolarHBondContact CA-O 3.45Å; E188-T220 PolarHBondContact N-O 3.5Å; E188-D221 WeakPolarHBondContact CA-OD1 3.39Å
189	Y	98.9	Very high	98.8	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.016	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-68.9	-25.1	179.4	-165.4	-109	0	0	0	111.7	R148 E186 N187 S191 Y192 D196 Y199 L200 D221 C230	R148-Y189 HydrophobicContact CB-CE2 3.93Å; R148-Y189 WeakPolarHBondContact O-CE2 3.34Å; R148-Y189 PolarHBondContact O-OH 3.07Å; E186-Y189 HydrophobicContact CG-CD2 4.16Å; E186-Y189 HydrophobicContact CG-CG 4.49Å; N187-Y189 VanDerWaalsContact C-N 3.32Å; N187-Y189 PolarHBondContact O-N 3.01Å; Y189-S191 PolarHBondContact O-N 3.17Å; Y189-Y192 AromaticContact CE2-CD1 3.81Å; Y189-Y192 HydrophobicContact CE2-CD1 3.81Å; Y189-Y192 HydrophobicContact CE2-CG 4.4Å; Y189-Y192 WeakPolarHBondContact O-CB 3.27Å; Y189-Y192 PolarHBondContact O-N 3.2Å; Y189-D196 VanDerWaalsContact OH-CB 3.3Å; Y189-D196 WeakPolarHBondContact OH-CB 3.43Å; Y189-D196 PolarHBondContact OH-N 3.02Å; Y189-Y199 HydrophobicContact CD2-CD1 4.25Å; Y189-Y199 AromaticContact CD2-CE1 3.87Å; Y189-Y199 HydrophobicContact CD2-CE1 3.87Å; Y189-Y199 HydrophobicContact CE1-CD1 4.34Å; Y189-Y199 AromaticContact CE2-CD1 3.65Å; Y189-Y199 HydrophobicContact CE2-CD1 3.65Å; Y189-Y199 AromaticContact CE2-CE1 3.55Å; Y189-Y199 HydrophobicContact CE2-CE1 3.55Å; Y189-Y199 AromaticContact CZ-CD1 3.68Å; Y189-L200 HydrophobicContact CD1-CD1 3.71Å; Y189-L200 HydrophobicContact CD1-CD2 3.81Å; Y189-L200 HydrophobicContact CD1-CG 3.78Å; Y189-L200 HydrophobicContact CD2-CD2 4.48Å; Y189-L200 HydrophobicContact CE1-CD1 4.36Å; Y189-L200 HydrophobicContact CE1-CD2 4.4Å; Y189-L200 HydrophobicContact CE1-CG 4.13Å; Y189-L200 HydrophobicContact CG-CD1 4.4Å; Y189-L200 HydrophobicContact CG-CD2 3.85Å; Y189-L200 HydrophobicContact CG-CG 4.34Å; Y189-D221 PolarHBondContact N-OD1 2.87Å; Y189-D221 VanDerWaalsContact N-OD1 3.11Å; Y189-C230 WeakPolarHBondContact CD1-O 3.4Å
190	G	98.6	Very high	98.8	Very high	11 Å²	11	22.4 Å²	22.4	11%	0.113	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-57.6	-26.8	168.1	0	0	0	0	0	115.2	E188 Y192 D221 F227	E188-G190 PolarHBondContact O-N 3.06Å; G190-Y192 VanDerWaalsContact C-N 3.3Å; G190-D221 WeakPolarHBondContact CA-OD1 3.48Å; G190-D221 PolarHBondContact N-OD1 3.17Å; G190-F227 WeakPolarHBondContact CA-O 3.31Å
191	S	98.1	Very high	98.8	Very high	22 Å²	22	27.7 Å²	27.7	15%	0.154	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-85.4	-0.4	176	-63.5	0	0	0	0	112.9	E188 Y189 F227 Y485	E188-S191 WeakPolarHBondContact O-CB 3.34Å; E188-S191 PolarHBondContact O-N 3.28Å; E188-S191 VanDerWaalsContact O-N 3.11Å; Y189-S191 PolarHBondContact O-N 3.17Å; S191-F227 WeakPolarHBondContact OG-CD1 3.13Å; S191-Y485 WeakPolarHBondContact CB-OH 3.3Å
192	Y	98.6	Very high	98.8	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.043	15%	0.149	C	C	.	.	S	Bend	trans	-106.3	136.9	-178.7	-160.2	-115.2	0	0	0	112.9	L147 R148 Y189 G190 A194 G486 I489	L147-Y192 WeakPolarHBondContact O-CE1 3.48Å; L147-Y192 PolarHBondContact O-OH 2.88Å; R148-Y192 HydrophobicContact CB-CD1 3.93Å; R148-Y192 HydrophobicContact CB-CE1 3.73Å; R148-Y192 VanDerWaalsContact NH1-CD2 3.3Å; Y189-Y192 AromaticContact CE2-CD1 3.81Å; Y189-Y192 HydrophobicContact CE2-CD1 3.81Å; Y189-Y192 HydrophobicContact CE2-CG 4.4Å; Y189-Y192 WeakPolarHBondContact O-CB 3.27Å; Y189-Y192 PolarHBondContact O-N 3.2Å; G190-Y192 VanDerWaalsContact C-N 3.3Å; Y192-A194 VanDerWaalsContact C-N 3.26Å; Y192-A194 HydrophobicContact CD1-CB 3.73Å; Y192-A194 HydrophobicContact CE1-CB 3.74Å; Y192-A194 PolarHBondContact O-N 3.23Å; Y192-G486 WeakPolarHBondContact CE2-O 3.46Å; Y192-I489 HydrophobicContact CE2-CD1 3.79Å; Y192-I489 HydrophobicContact CE2-CG1 4.11Å
193	F	98.4	Very high	98.8	Very high	124 Å²	124	29.6 Å²	29.6	54%	0.544	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.1	-169.4	72.9	-88	0	0	0	115	L146 A487	L146-F193 HydrophobicContact CD1-CE2 4.18Å; L146-F193 HydrophobicContact CD1-CZ 3.69Å; F193-A487 HydrophobicContact CD1-CB 3.48Å; F193-A487 VanDerWaalsContact CD1-CB 3.48Å; F193-A487 HydrophobicContact CE1-CB 3.69Å; F193-A487 HydrophobicContact CG-CB 4.37Å
194	A	98.4	Very high	98.8	Very high	30 Å²	30	31 Å²	31	25%	0.248	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.2	-172.3	0	0	0	0	0	113.3	Y192 D196	Y192-A194 VanDerWaalsContact C-N 3.26Å; Y192-A194 HydrophobicContact CD1-CB 3.73Å; Y192-A194 HydrophobicContact CE1-CB 3.74Å; Y192-A194 PolarHBondContact O-N 3.23Å; A194-D196 PolarHBondContact O-N 2.86Å; A194-D196 VanDerWaalsContact O-N 3.09Å
195	C	98.4	Very high	98.7	Very high	41 Å²	41	38.2 Å²	38.2	28%	0.277	19%	0.187	S	C	.	.			trans	47.8	36.1	-179.8	-160.1	0	0	0	0	113.7	F197 C230	C195-F197 WeakPolarHBondContact O-CD2 3.4Å; C195-F197 PolarHBondContact O-N 2.78Å; C195-C230 HydrophobicContact CB-CB 3.86Å; C195-C230 WeakPolarHBondContact CB-SG 3.27Å; C195-C230 WeakPolarHBondContact SG-CB 2.99Å; C195-C230 CovalentContact SG-SG 2.04Å; C195-C230 PolarHBondContact SG-SG 3.28Å
196	D	98.8	Very high	98.7	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.193	20%	0.195	C	C	.	.			trans	-85.5	101.7	-175.8	-173	-26.4	0	0	0	111.1	S150 Y189 A194 D198 Y199 L200	S150-D196 WeakPolarHBondContact CB-OD2 3.34Å; S150-D196 PolarHBondContact N-OD2 2.96Å; S150-D196 PolarHBondContact OG-OD1 3.02Å; S150-D196 PolarHBondContact OG-OD2 2.7Å; Y189-D196 VanDerWaalsContact OH-CB 3.3Å; Y189-D196 WeakPolarHBondContact OH-CB 3.43Å; Y189-D196 PolarHBondContact OH-N 3.02Å; A194-D196 PolarHBondContact O-N 2.86Å; A194-D196 VanDerWaalsContact O-N 3.09Å; D196-D198 VanDerWaalsContact C-N 3.35Å; D196-D198 WeakPolarHBondContact OD1-CA 3.25Å; D196-D198 WeakPolarHBondContact OD1-CB 3.38Å; D196-D198 PolarHBondContact OD1-N 3.11Å; D196-Y199 WeakPolarHBondContact O-CB 3.14Å; D196-Y199 PolarHBondContact O-N 3.2Å; D196-Y199 PolarHBondContact OD1-N 2.91Å; D196-L200 PolarHBondContact O-N 3.43Å
197	F	98.8	Very high	98.7	Very high	62 Å²	62	40.2 Å²	40.2	27%	0.272	19%	0.194	S	C	.	.	H	α-helix	trans	-76.9	-16.6	177.1	-63.6	-82.7	0	0	0	114.2	C195 Y199 L200 R201 Q229 L233	C195-F197 WeakPolarHBondContact O-CD2 3.4Å; C195-F197 PolarHBondContact O-N 2.78Å; F197-Y199 VanDerWaalsContact C-N 3.32Å; F197-L200 HydrophobicContact CD1-CD1 4.35Å; F197-R201 VanDerWaalsContact CB-NH1 3.3Å; F197-R201 WeakPolarHBondContact O-CB 3.47Å; F197-R201 VanDerWaalsContact O-CG 3.28Å; F197-R201 WeakPolarHBondContact O-CG 3.33Å; F197-R201 VanDerWaalsContact O-CZ 3.31Å; F197-R201 PolarHBondContact O-N 3.08Å; F197-R201 PolarHBondContact O-NE 2.82Å; F197-Q229 WeakPolarHBondContact CZ-O 3.42Å; F197-L233 HydrophobicContact CD1-CD1 4.07Å
198	D	98.9	Very high	98.7	Very high	97 Å²	97	42.3 Å²	42.3	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-72.3	-32.5	173.3	-78.5	-39.8	0	0	0	110.7	S150 D196 R201 F202	S150-D198 WeakPolarHBondContact OG-CB 3.29Å; D196-D198 VanDerWaalsContact C-N 3.35Å; D196-D198 WeakPolarHBondContact OD1-CA 3.25Å; D196-D198 WeakPolarHBondContact OD1-CB 3.38Å; D196-D198 PolarHBondContact OD1-N 3.11Å; D198-R201 IonicContact OD1-CZ 2.7Å; D198-R201 IonicContact OD1-NE 3.71Å; D198-R201 PolarHBondContact OD1-NE 2.83Å; D198-R201 IonicContact OD1-NH2 2.71Å; D198-R201 PolarHBondContact OD1-NH2 3.41Å; D198-R201 IonicContact OD2-NH2 2.67Å; D198-F202 VanDerWaalsContact O-CB 3.25Å; D198-F202 WeakPolarHBondContact O-CB 3.4Å; D198-F202 PolarHBondContact O-N 3.29Å
199	Y	98.9	Very high	98.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-49.5	168.6	164.8	-122.9	0	0	0	111.9	R148 S150 Y154 L155 E186 Y189 D196 F197 R201 F202 L203	R148-Y199 HydrophobicContact CB-CE1 3.95Å; R148-Y199 WeakPolarHBondContact O-CD1 3.27Å; S150-Y199 PolarHBondContact OG-N 2.88Å; Y154-Y199 HydrophobicContact CD1-CE2 4.45Å; Y154-Y199 HydrophobicContact CE1-CD2 4.34Å; Y154-Y199 AromaticContact CE1-CE2 3.65Å; Y154-Y199 HydrophobicContact CE1-CE2 3.65Å; Y154-Y199 PolarHBondContact OH-OH 3.26Å; L155-Y199 HydrophobicContact CD2-CD2 3.8Å; E186-Y199 HydrophobicContact CG-CE1 3.55Å; E186-Y199 WeakPolarHBondContact CG-OH 3.41Å; E186-Y199 WeakPolarHBondContact OE1-CE1 3.23Å; E186-Y199 PolarHBondContact OE1-OH 2.86Å; Y189-Y199 HydrophobicContact CD2-CD1 4.25Å; Y189-Y199 AromaticContact CD2-CE1 3.87Å; Y189-Y199 HydrophobicContact CD2-CE1 3.87Å; Y189-Y199 HydrophobicContact CE1-CD1 4.34Å; Y189-Y199 AromaticContact CE2-CD1 3.65Å; Y189-Y199 HydrophobicContact CE2-CD1 3.65Å; Y189-Y199 AromaticContact CE2-CE1 3.55Å; Y189-Y199 HydrophobicContact CE2-CE1 3.55Å; Y189-Y199 AromaticContact CZ-CD1 3.68Å; D196-Y199 WeakPolarHBondContact O-CB 3.14Å; D196-Y199 PolarHBondContact O-N 3.2Å; D196-Y199 PolarHBondContact OD1-N 2.91Å; F197-Y199 VanDerWaalsContact C-N 3.32Å; Y199-R201 PolarHBondContact O-N 3.24Å; Y199-F202 WeakPolarHBondContact O-CB 3.39Å; Y199-F202 PolarHBondContact O-N 2.67Å; Y199-L203 HydrophobicContact CD2-CD1 4.31Å; Y199-L203 HydrophobicContact CD2-CG 4.12Å; Y199-L203 HydrophobicContact CE1-CD1 4.23Å; Y199-L203 HydrophobicContact CE2-CD1 3.65Å; Y199-L203 HydrophobicContact CE2-CD2 3.98Å; Y199-L203 HydrophobicContact CE2-CG 3.75Å; Y199-L203 WeakPolarHBondContact O-CG 3.44Å; Y199-L203 PolarHBondContact O-N 3.32Å
200	L	98.9	Very high	98.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-41.7	176.8	-64.4	-172.8	0	0	0	112.3	E186 Y189 D196 F197 F202 L203 Q204 L233	E186-L200 HydrophobicContact CB-CD2 4.01Å; E186-L200 HydrophobicContact CG-CD2 3.93Å; Y189-L200 HydrophobicContact CD1-CD1 3.71Å; Y189-L200 HydrophobicContact CD1-CD2 3.81Å; Y189-L200 HydrophobicContact CD1-CG 3.78Å; Y189-L200 HydrophobicContact CD2-CD2 4.48Å; Y189-L200 HydrophobicContact CE1-CD1 4.36Å; Y189-L200 HydrophobicContact CE1-CD2 4.4Å; Y189-L200 HydrophobicContact CE1-CG 4.13Å; Y189-L200 HydrophobicContact CG-CD1 4.4Å; Y189-L200 HydrophobicContact CG-CD2 3.85Å; Y189-L200 HydrophobicContact CG-CG 4.34Å; D196-L200 PolarHBondContact O-N 3.43Å; F197-L200 HydrophobicContact CD1-CD1 4.35Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 2.7Å; L200-L203 PolarHBondContact O-N 3.2Å; L200-Q204 WeakPolarHBondContact O-CB 3.38Å; L200-Q204 PolarHBondContact O-N 3.47Å; L200-L233 HydrophobicContact CB-CD2 3.88Å; L200-L233 HydrophobicContact CD1-CB 4.39Å
201	R	98.9	Very high	98.8	Very high	111 Å²	111	47.6 Å²	47.6	42%	0.419	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-39.3	173.7	-78.5	-176.7	-75.1	-88.4	6	112.2	F197 D198 Y199 K205 L233	F197-R201 VanDerWaalsContact CB-NH1 3.3Å; F197-R201 WeakPolarHBondContact O-CB 3.47Å; F197-R201 VanDerWaalsContact O-CG 3.28Å; F197-R201 WeakPolarHBondContact O-CG 3.33Å; F197-R201 VanDerWaalsContact O-CZ 3.31Å; F197-R201 PolarHBondContact O-N 3.08Å; F197-R201 PolarHBondContact O-NE 2.82Å; D198-R201 IonicContact OD1-CZ 2.7Å; D198-R201 IonicContact OD1-NE 3.71Å; D198-R201 PolarHBondContact OD1-NE 2.83Å; D198-R201 IonicContact OD1-NH2 2.71Å; D198-R201 PolarHBondContact OD1-NH2 3.41Å; D198-R201 IonicContact OD2-NH2 2.67Å; Y199-R201 PolarHBondContact O-N 3.24Å; R201-K205 WeakPolarHBondContact O-CB 3.36Å; R201-K205 PolarHBondContact O-N 3.46Å; R201-L233 HydrophobicContact CG-CD1 4.07Å; R201-L233 HydrophobicContact CG-CD2 4.04Å
202	F	98.9	Very high	98.8	Very high	43 Å²	43	47.7 Å²	47.7	19%	0.189	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-51	174.2	170	-90.2	0	0	0	110.4	L155 V158 D159 D198 Y199 L200 Q204 K205 R206	L155-F202 HydrophobicContact CB-CE1 4.33Å; L155-F202 HydrophobicContact CB-CE2 4.49Å; L155-F202 HydrophobicContact CB-CZ 4.2Å; L155-F202 HydrophobicContact CD1-CD2 4.15Å; L155-F202 HydrophobicContact CD1-CE2 4.49Å; L155-F202 HydrophobicContact CD1-CG 4.15Å; L155-F202 HydrophobicContact CD2-CD1 3.71Å; L155-F202 HydrophobicContact CD2-CE1 3.98Å; L155-F202 HydrophobicContact CD2-CG 4.13Å; V158-F202 HydrophobicContact CG1-CE1 4.2Å; D159-F202 HydrophobicContact CB-CZ 4.03Å; D198-F202 VanDerWaalsContact O-CB 3.25Å; D198-F202 WeakPolarHBondContact O-CB 3.4Å; D198-F202 PolarHBondContact O-N 3.29Å; Y199-F202 WeakPolarHBondContact O-CB 3.39Å; Y199-F202 PolarHBondContact O-N 2.67Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 2.7Å; F202-Q204 PolarHBondContact O-N 2.91Å; F202-K205 WeakPolarHBondContact O-CB 3.39Å; F202-K205 PolarHBondContact O-N 3.07Å; F202-R206 HydrophobicContact CD1-CG 4.24Å; F202-R206 HydrophobicContact CD2-CG 4.34Å; F202-R206 HydrophobicContact CE1-CG 3.83Å; F202-R206 HydrophobicContact CE2-CG 3.94Å; F202-R206 HydrophobicContact CG-CG 4.48Å; F202-R206 HydrophobicContact CZ-CG 3.66Å; F202-R206 WeakPolarHBondContact O-CG 3.29Å; F202-R206 PolarHBondContact O-N 2.78Å
203	L	98.9	Very high	98.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-51.9	177.9	-67.5	-178	0	0	0	111.7	P124 V158 L162 V185 E186 Y199 L200 K205 R206 F207	P124-L203 HydrophobicContact CG-CD2 4.2Å; V158-L203 HydrophobicContact CG1-CD2 3.76Å; L162-L203 HydrophobicContact CD1-CD2 3.98Å; V185-L203 HydrophobicContact CG1-CB 3.52Å; V185-L203 HydrophobicContact CG1-CD1 3.91Å; V185-L203 HydrophobicContact CG1-CG 4.4Å; E186-L203 HydrophobicContact CB-CD1 4.08Å; E186-L203 HydrophobicContact CG-CD1 3.64Å; Y199-L203 HydrophobicContact CD2-CD1 4.31Å; Y199-L203 HydrophobicContact CD2-CG 4.12Å; Y199-L203 HydrophobicContact CE1-CD1 4.23Å; Y199-L203 HydrophobicContact CE2-CD1 3.65Å; Y199-L203 HydrophobicContact CE2-CD2 3.98Å; Y199-L203 HydrophobicContact CE2-CG 3.75Å; Y199-L203 WeakPolarHBondContact O-CG 3.44Å; Y199-L203 PolarHBondContact O-N 3.32Å; L200-L203 PolarHBondContact O-N 3.2Å; L203-K205 VanDerWaalsContact C-N 3.27Å; L203-K205 PolarHBondContact O-N 3.46Å; L203-R206 PolarHBondContact O-N 2.93Å; L203-F207 HydrophobicContact CB-CE2 4.48Å; L203-F207 HydrophobicContact CD2-CE2 4.48Å; L203-F207 WeakPolarHBondContact O-CD2 3.39Å; L203-F207 PolarHBondContact O-N 2.94Å
204	Q	98.9	Very high	98.6	Very high	32 Å²	32	51.9 Å²	51.9	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-50.4	-47.3	176	178.4	-178.8	40.4	0	0	111.6	L200 F202 F207 H208 L233 Q234 G235 L236	L200-Q204 WeakPolarHBondContact O-CB 3.38Å; L200-Q204 PolarHBondContact O-N 3.47Å; F202-Q204 PolarHBondContact O-N 2.91Å; Q204-F207 PolarHBondContact O-N 2.83Å; Q204-H208 PolarHBondContact O-CD2 3.48Å; Q204-H208 VanDerWaalsContact O-CD2 3.27Å; Q204-H208 PolarHBondContact O-N 3.29Å; Q204-L233 HydrophobicContact CB-CD2 4.38Å; Q204-Q234 PolarHBondContact NE2-O 2.92Å; Q204-Q234 VanDerWaalsContact NE2-O 3.11Å; Q204-G235 VanDerWaalsContact NE2-C 3.28Å; Q204-G235 PolarHBondContact NE2-O 3.34Å; Q204-L236 HydrophobicContact CB-CD1 4.43Å; Q204-L236 HydrophobicContact CB-CD2 4.08Å; Q204-L236 HydrophobicContact CB-CG 4.45Å; Q204-L236 HydrophobicContact CG-CD2 3.79Å; Q204-L236 HydrophobicContact CG-CG 4.31Å
205	K	98.9	Very high	98.6	Very high	151 Å²	151	50.9 Å²	50.9	66%	0.657	25%	0.249	S	C	*	.	H	α-helix	trans	-63	-42	177.6	179.9	-179.3	176.9	-176.6	0	112.8	R201 F202 L203 H209	R201-K205 WeakPolarHBondContact O-CB 3.36Å; R201-K205 PolarHBondContact O-N 3.46Å; F202-K205 WeakPolarHBondContact O-CB 3.39Å; F202-K205 PolarHBondContact O-N 3.07Å; L203-K205 VanDerWaalsContact C-N 3.27Å; L203-K205 PolarHBondContact O-N 3.46Å; K205-H209 VanDerWaalsContact O-CB 3.26Å; K205-H209 WeakPolarHBondContact O-CB 3.37Å; K205-H209 PolarHBondContact O-N 2.96Å
206	R	98.9	Very high	98.7	Very high	45 Å²	45	49.7 Å²	49.7	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-37.1	177.9	-59.5	-47.3	-72.6	150.1	-8.5	111.8	D159 L162 F202 L203 H209 H210	D159-R206 IonicContact OD1-CZ 3.9Å; D159-R206 IonicContact OD1-NE 2.77Å; D159-R206 PolarHBondContact OD1-NE 2.91Å; D159-R206 IonicContact OD1-NH2 3.62Å; D159-R206 PolarHBondContact OD1-NH2 2.88Å; D159-R206 IonicContact OD2-CZ 3.82Å; D159-R206 IonicContact OD2-NE 3.87Å; D159-R206 IonicContact OD2-NH2 2.98Å; D159-R206 PolarHBondContact OD2-NH2 3.12Å; L162-R206 HydrophobicContact CD1-CB 4.17Å; F202-R206 HydrophobicContact CD1-CG 4.24Å; F202-R206 HydrophobicContact CD2-CG 4.34Å; F202-R206 HydrophobicContact CE1-CG 3.83Å; F202-R206 HydrophobicContact CE2-CG 3.94Å; F202-R206 HydrophobicContact CG-CG 4.48Å; F202-R206 HydrophobicContact CZ-CG 3.66Å; F202-R206 WeakPolarHBondContact O-CG 3.29Å; F202-R206 PolarHBondContact O-N 2.78Å; L203-R206 PolarHBondContact O-N 2.93Å; R206-H209 PolarHBondContact NH1-CD2 2.79Å; R206-H209 PolarHBondContact O-N 3.19Å; R206-H210 PolarHBondContact O-CD2 2.91Å; R206-H210 PolarHBondContact O-N 3.23Å; R206-H210 VanDerWaalsContact O-N 3.17Å
207	F	98.9	Very high	98.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-51.2	176.3	-82.1	-128.8	0	0	0	111.2	P122 L162 L166 V183 Q184 V185 L203 Q204 H209 H210 L211 L217	P122-F207 HydrophobicContact CG-CE1 3.49Å; P122-F207 VanDerWaalsContact CG-CE1 3.49Å; P122-F207 HydrophobicContact CG-CZ 3.7Å; L162-F207 HydrophobicContact CD1-CD2 4.06Å; L162-F207 HydrophobicContact CD1-CE2 3.66Å; L162-F207 HydrophobicContact CD2-CE2 3.78Å; L162-F207 HydrophobicContact CD2-CZ 4.22Å; L162-F207 HydrophobicContact CG-CE2 4.38Å; L166-F207 HydrophobicContact CD1-CB 4.42Å; L166-F207 HydrophobicContact CD1-CD1 4.43Å; L166-F207 HydrophobicContact CD1-CD2 3.82Å; L166-F207 HydrophobicContact CD1-CE2 4.23Å; L166-F207 HydrophobicContact CD1-CG 3.95Å; V183-F207 HydrophobicContact CG1-CD1 3.97Å; V183-F207 HydrophobicContact CG1-CE1 3.76Å; Q184-F207 WeakPolarHBondContact O-CE1 3.35Å; V185-F207 HydrophobicContact CG2-CD1 3.79Å; V185-F207 HydrophobicContact CG2-CE1 3.93Å; V185-F207 HydrophobicContact CG2-CG 4.21Å; V185-F207 HydrophobicContact CG2-CZ 4.49Å; L203-F207 HydrophobicContact CB-CE2 4.48Å; L203-F207 HydrophobicContact CD2-CE2 4.48Å; L203-F207 WeakPolarHBondContact O-CD2 3.39Å; L203-F207 PolarHBondContact O-N 2.94Å; Q204-F207 PolarHBondContact O-N 2.83Å; F207-H209 VanDerWaalsContact C-N 3.33Å; F207-H209 PolarHBondContact O-N 2.71Å; F207-H210 PolarHBondContact O-N 3.46Å; F207-L211 HydrophobicContact CD1-CD1 4.22Å; F207-L211 VanDerWaalsContact O-CB 3.28Å; F207-L211 WeakPolarHBondContact O-CB 3.45Å; F207-L211 WeakPolarHBondContact O-CG 3.29Å; F207-L211 PolarHBondContact O-N 2.95Å; F207-L217 HydrophobicContact CB-CD1 3.76Å; F207-L217 HydrophobicContact CB-CD2 4.36Å; F207-L217 HydrophobicContact CD1-CD2 4.11Å
208	H	98.8	Very high	98.7	Very high	45 Å²	45	45.6 Å²	45.6	21%	0.208	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-40.8	174.6	-75.2	-56.5	0	0	0	112.7	Q204 H210 G212 D213	Q204-H208 PolarHBondContact O-CD2 3.48Å; Q204-H208 VanDerWaalsContact O-CD2 3.27Å; Q204-H208 PolarHBondContact O-N 3.29Å; H208-H210 VanDerWaalsContact C-N 3.31Å; H208-H210 PolarHBondContact O-N 3.44Å; H208-G212 PolarHBondContact ND1-O 2.91Å; H208-G212 VanDerWaalsContact ND1-O 3.17Å; H208-G212 VanDerWaalsContact O-CA 3.24Å; H208-G212 WeakPolarHBondContact O-CA 3.27Å; H208-G212 PolarHBondContact O-N 3.14Å; H208-D213 IonicContact ND1-OD1 3.1Å
209	H	98.8	Very high	98.7	Very high	118 Å²	118	41.1 Å²	41.1	55%	0.546	20%	0.198	S	C	.	.	H	α-helix	trans	-56.4	-41.8	177.5	176	68.8	0	0	0	113.2	K205 R206 F207	K205-H209 VanDerWaalsContact O-CB 3.26Å; K205-H209 WeakPolarHBondContact O-CB 3.37Å; K205-H209 PolarHBondContact O-N 2.96Å; R206-H209 PolarHBondContact NH1-CD2 2.79Å; R206-H209 PolarHBondContact O-N 3.19Å; F207-H209 VanDerWaalsContact C-N 3.33Å; F207-H209 PolarHBondContact O-N 2.71Å
210	H	98.8	Very high	98.7	Very high	26 Å²	26	41.1 Å²	41.1	12%	0.12	20%	0.198	C	C	.	.	H	α-helix	trans	-86	-45.7	179.7	-69.7	-65	0	0	0	113.1	L166 K170 R206 F207 H208	L166-H210 HydrophobicContact CB-CB 3.49Å; L166-H210 VanDerWaalsContact CB-CB 3.49Å; L166-H210 HydrophobicContact CD1-CB 4.11Å; L166-H210 HydrophobicContact CG-CB 4.48Å; K170-H210 VanDerWaalsContact CD-O 3.23Å; K170-H210 WeakPolarHBondContact CD-O 3.48Å; K170-H210 VanDerWaalsContact CE-O 3.29Å; K170-H210 WeakPolarHBondContact CE-O 3.25Å; K170-H210 PolarHBondContact NZ-O 3.04Å; R206-H210 PolarHBondContact O-CD2 2.91Å; R206-H210 PolarHBondContact O-N 3.23Å; R206-H210 VanDerWaalsContact O-N 3.17Å; F207-H210 PolarHBondContact O-N 3.46Å; H208-H210 VanDerWaalsContact C-N 3.31Å; H208-H210 PolarHBondContact O-N 3.44Å
211	L	98.8	Very high	98.7	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-88.2	-24.8	-170.5	-56.7	179.4	0	0	0	113.6	L166 M169 L173 V183 F207 V215 L217	L166-L211 HydrophobicContact CB-CD2 4.04Å; L166-L211 HydrophobicContact CB-CG 4.45Å; L166-L211 HydrophobicContact CD2-CD1 4.45Å; L166-L211 HydrophobicContact CD2-CD2 4.45Å; M169-L211 HydrophobicContact CB-CD2 4.34Å; L173-L211 HydrophobicContact CD1-CB 3.94Å; L173-L211 HydrophobicContact CD1-CD2 4.16Å; L173-L211 WeakPolarHBondContact CD1-O 3.37Å; L173-L211 HydrophobicContact CD2-CD2 4.47Å; V183-L211 HydrophobicContact CG1-CD1 4.31Å; V183-L211 HydrophobicContact CG2-CD1 4.22Å; F207-L211 HydrophobicContact CD1-CD1 4.22Å; F207-L211 VanDerWaalsContact O-CB 3.28Å; F207-L211 WeakPolarHBondContact O-CB 3.45Å; F207-L211 WeakPolarHBondContact O-CG 3.29Å; F207-L211 PolarHBondContact O-N 2.95Å; L211-V215 HydrophobicContact CB-CG1 3.76Å; L211-V215 HydrophobicContact CD1-CG1 4.28Å; L211-L217 HydrophobicContact CD1-CD2 4.45Å
212	G	98.2	Very high	98.6	Very high	24 Å²	24	36.2 Å²	36.2	25%	0.247	18%	0.181	C	C	.	.			trans	95.4	-179.8	-172.5	0	0	0	0	0	113.2	H208	H208-G212 PolarHBondContact ND1-O 2.91Å; H208-G212 VanDerWaalsContact ND1-O 3.17Å; H208-G212 VanDerWaalsContact O-CA 3.24Å; H208-G212 WeakPolarHBondContact O-CA 3.27Å; H208-G212 PolarHBondContact O-N 3.14Å
213	D	97.6	Very high	98.6	Very high	136 Å²	136	35.4 Å²	35.4	73%	0.727	18%	0.183	S	C	*	.	S	Bend	trans	-90.4	-16.8	-174.2	-51.5	-44.3	0	0	0	113.2	H208 V215	H208-D213 IonicContact ND1-OD1 3.1Å; D213-V215 VanDerWaalsContact C-N 3.33Å; D213-V215 PolarHBondContact O-N 2.99Å
214	D	97.1	Very high	98.5	Very high	88 Å²	88	40.2 Å²	40.2	47%	0.471	21%	0.205	S	C	.	.	S	Bend	trans	-74.3	-17.1	-179	-65.4	-17.4	0	0	0	114	R29 Q175	R29-D214 IonicContact CZ-OD2 3.69Å; R29-D214 IonicContact NH2-OD1 3.83Å; R29-D214 IonicContact NH2-OD2 2.64Å; R29-D214 PolarHBondContact NH2-OD2 3.11Å; Q175-D214 HydrophobicContact CG-CB 4.2Å
215	V	98.1	Very high	98.3	Very high	8 Å²	8	43.7 Å²	43.7	5%	0.048	22%	0.221	C	C	.	.	S	Bend	trans	-79.1	132.8	-175.3	64.1	0	0	0	0	110.7	L173 V183 L211 D213 L217	L173-V215 HydrophobicContact CD2-CG2 3.92Å; V183-V215 HydrophobicContact CB-CG2 4.46Å; V183-V215 HydrophobicContact CG2-CG2 3.8Å; L211-V215 HydrophobicContact CB-CG1 3.76Å; L211-V215 HydrophobicContact CD1-CG1 4.28Å; D213-V215 VanDerWaalsContact C-N 3.33Å; D213-V215 PolarHBondContact O-N 2.99Å; V215-L217 HydrophobicContact CG1-CD2 3.71Å; V215-L217 HydrophobicContact CG1-CG 4.13Å; V215-L217 HydrophobicContact CG2-CD2 4.35Å; V215-L217 PolarHBondContact O-N 3.35Å; V215-L217 VanDerWaalsContact O-N 3.09Å
216	V	98.9	Very high	98.2	Very high	17 Å²	17	40 Å²	40	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	105.1	172.7	178.7	0	0	0	0	109.3	F32 I34 F41 T182 V183	F32-V216 HydrophobicContact CD1-CG2 4.1Å; I34-V216 HydrophobicContact CD1-CG1 3.8Å; I34-V216 HydrophobicContact CG1-CG1 4.2Å; I34-V216 HydrophobicContact CG1-CG2 4.4Å; F41-V216 HydrophobicContact CE1-CG1 4.27Å; T182-V216 WeakPolarHBondContact CA-O 3.32Å; T182-V216 HydrophobicContact CG2-CB 4.01Å; T182-V216 HydrophobicContact CG2-CG1 3.98Å; V183-V216 PolarHBondContact N-O 3.44Å
217	L	98.9	Very high	98.1	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	141	169.6	-56.3	-173.1	0	0	0	110.6	V183 V185 F207 L211 V215 L236 Y237	V183-L217 HydrophobicContact CB-CD2 3.87Å; V183-L217 HydrophobicContact CG1-CD2 4.44Å; V183-L217 WeakPolarHBondContact O-CA 3.31Å; V185-L217 HydrophobicContact CG2-CB 4.15Å; V185-L217 HydrophobicContact CG2-CD1 4.2Å; V185-L217 HydrophobicContact CG2-CD2 4.46Å; F207-L217 HydrophobicContact CB-CD1 3.76Å; F207-L217 HydrophobicContact CB-CD2 4.36Å; F207-L217 HydrophobicContact CD1-CD2 4.11Å; L211-L217 HydrophobicContact CD1-CD2 4.45Å; V215-L217 HydrophobicContact CG1-CD2 3.71Å; V215-L217 HydrophobicContact CG1-CG 4.13Å; V215-L217 HydrophobicContact CG2-CD2 4.35Å; V215-L217 PolarHBondContact O-N 3.35Å; V215-L217 VanDerWaalsContact O-N 3.09Å; L217-L236 HydrophobicContact CB-CD2 3.51Å; L217-L236 HydrophobicContact CD1-CD2 3.98Å; L217-L236 HydrophobicContact CG-CD2 4.41Å; L217-Y237 PolarHBondContact O-N 3.39Å
218	F	98.9	Very high	98	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.022	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	161.9	-177.3	77.1	-82.5	0	0	0	112.6	I119 T182 V183 Q184 V185 T220 Y237 T239	I119-F218 HydrophobicContact CG2-CE1 3.71Å; I119-F218 HydrophobicContact CG2-CZ 3.52Å; T182-F218 WeakPolarHBondContact OG1-CE1 3.32Å; V183-F218 VanDerWaalsContact C-CD1 3.44Å; V183-F218 VanDerWaalsContact C-CE1 3.45Å; V183-F218 WeakPolarHBondContact O-CD1 3.42Å; V183-F218 PolarHBondContact O-N 3.47Å; V183-F218 VanDerWaalsContact O-N 3.11Å; Q184-F218 CarbonylContact C-O 3.59Å; Q184-F218 WeakPolarHBondContact CA-O 3.4Å; Q184-F218 HydrophobicContact CB-CD1 4.27Å; Q184-F218 HydrophobicContact CB-CD2 4.44Å; Q184-F218 HydrophobicContact CB-CE1 3.74Å; Q184-F218 HydrophobicContact CB-CE2 3.95Å; Q184-F218 HydrophobicContact CB-CZ 3.57Å; Q184-F218 HydrophobicContact CG-CD2 4.05Å; Q184-F218 HydrophobicContact CG-CE1 4.38Å; Q184-F218 HydrophobicContact CG-CE2 3.73Å; Q184-F218 HydrophobicContact CG-CZ 3.91Å; Q184-F218 VanDerWaalsContact N-CE1 3.25Å; V185-F218 PolarHBondContact N-O 3.45Å; F218-T220 WeakPolarHBondContact CE2-OG1 3.49Å; F218-Y237 CarbonylContact C-O 3.54Å; F218-Y237 WeakPolarHBondContact CA-O 3.46Å; F218-Y237 WeakPolarHBondContact CB-O 3.22Å; F218-T239 HydrophobicContact CB-CG2 4.2Å; F218-T239 HydrophobicContact CD2-CG2 3.68Å; F218-T239 HydrophobicContact CE2-CG2 4.47Å; F218-T239 HydrophobicContact CG-CG2 4.31Å
219	T	98.9	Very high	98	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	159.3	168	61.6	0	0	0	0	110.5	L236 Y237 T239	T219-L236 HydrophobicContact CG2-CB 4.02Å; T219-L236 HydrophobicContact CG2-CD1 3.72Å; T219-Y237 PolarHBondContact N-O 3.43Å; T219-T239 WeakPolarHBondContact O-CA 3.44Å; T219-T239 WeakPolarHBondContact O-CB 3.21Å; T219-T239 PolarHBondContact O-N 3.31Å; T219-T239 PolarHBondContact O-OG1 2.97Å
220	T	98.9	Very high	97.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.6	175	-59.3	0	0	0	0	108	Q184 E188 F218 T239 D241 S267	Q184-T220 VanDerWaalsContact OE1-CB 3.32Å; Q184-T220 PolarHBondContact OE1-OG1 3.35Å; E188-T220 WeakPolarHBondContact CA-O 3.45Å; E188-T220 PolarHBondContact N-O 3.5Å; F218-T220 WeakPolarHBondContact CE2-OG1 3.49Å; T220-T239 PolarHBondContact OG1-OG1 2.85Å; T220-T239 VanDerWaalsContact OG1-OG1 3.05Å; T220-D241 HydrophobicContact CG2-CB 4.05Å; T220-D241 WeakPolarHBondContact CG2-OD2 3.2Å; T220-S267 WeakPolarHBondContact OG1-CB 3.49Å; T220-S267 PolarHBondContact OG1-OG 3.1Å
221	D	98.9	Very high	97.9	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.3	175.8	-61.3	-83.3	0	0	0	110.1	E188 Y189 G190 F227 L228 G231 T239 V240 D241	E188-D221 WeakPolarHBondContact CA-OD1 3.39Å; Y189-D221 PolarHBondContact N-OD1 2.87Å; Y189-D221 VanDerWaalsContact N-OD1 3.11Å; G190-D221 WeakPolarHBondContact CA-OD1 3.48Å; G190-D221 PolarHBondContact N-OD1 3.17Å; D221-F227 HydrophobicContact CB-CB 4.11Å; D221-L228 HydrophobicContact CB-CD2 4.04Å; D221-L228 HydrophobicContact CB-CG 4.49Å; D221-G231 WeakPolarHBondContact OD1-CA 3.26Å; D221-G231 VanDerWaalsContact OD2-CA 3.31Å; D221-G231 WeakPolarHBondContact OD2-CA 3.37Å; D221-T239 PolarHBondContact N-O 3.14Å; D221-V240 WeakPolarHBondContact O-CA 3.49Å; D221-D241 PolarHBondContact O-N 3.09Å
222	G	98.3	Very high	97.9	Very high	6 Å²	6	41.2 Å²	41.2	6%	0.062	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	142.3	178.5	0	0	0	0	0	113.4	H224 F227 D241	G222-H224 PolarHBondContact O-N 2.85Å; G222-F227 WeakPolarHBondContact O-CD2 3.29Å; G222-D241 VanDerWaalsContact CA-OD1 3.29Å; G222-D241 WeakPolarHBondContact CA-OD1 3.19Å; G222-D241 PolarHBondContact N-OD2 2.79Å; G222-D241 VanDerWaalsContact N-OD2 3.09Å
223	A	97.6	Very high	97.9	Very high	27 Å²	27	41 Å²	41	22%	0.223	22%	0.218	C	C	.	.	S	Bend	trans	-70.2	54.4	-172	0	0	0	0	0	115.8	V240 D241 F242 A251	A223-V240 HydrophobicContact CB-CB 3.91Å; A223-V240 HydrophobicContact CB-CG1 4.23Å; A223-V240 HydrophobicContact CB-CG2 4.21Å; A223-D241 WeakPolarHBondContact CB-O 3.37Å; A223-D241 PolarHBondContact N-O 2.94Å; A223-F242 HydrophobicContact CB-CB 4.35Å; A223-F242 HydrophobicContact CB-CD1 4.08Å; A223-A251 HydrophobicContact CB-CB 3.65Å
224	H	97.3	Very high	97.9	Very high	101 Å²	101	43 Å²	43	47%	0.468	22%	0.223	S	C	.	.	S	Bend	trans	-141.8	149.2	175.4	-168.2	-102.3	0	0	0	110.9	G222 T226 F227 L228	G222-H224 PolarHBondContact O-N 2.85Å; H224-T226 PolarHBondContact ND1-OG1 2.98Å; H224-T226 PolarHBondContact O-N 3.1Å; H224-T226 VanDerWaalsContact O-N 3.16Å; H224-F227 HydrophobicContact CB-CD2 3.81Å; H224-F227 HydrophobicContact CB-CE2 4.03Å; H224-F227 PolarHBondContact O-N 2.7Å; H224-L228 PolarHBondContact O-N 3.16Å
225	E	94.7	Very high	97.9	Very high	104 Å²	104	41.1 Å²	41.1	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-57.5	-35.5	-173.9	-59.5	-171.9	158.3	0	0	113.2	F227 Q229 I254 K257	E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 3.5Å; E225-Q229 WeakPolarHBondContact O-CB 3.45Å; E225-Q229 PolarHBondContact O-N 3.2Å; E225-I254 HydrophobicContact CG-CD1 3.66Å; E225-K257 WeakPolarHBondContact OE1-CD 3.38Å; E225-K257 IonicContact OE1-NZ 3.63Å; E225-K257 PolarHBondContact OE1-NZ 3.47Å
226	T	96.1	Very high	98	Very high	75 Å²	75	40.8 Å²	40.8	46%	0.46	22%	0.222	S	C	.	.	H	α-helix	trans	-65	-29.7	-177.6	52.8	0	0	0	0	113.8	H224	H224-T226 PolarHBondContact ND1-OG1 2.98Å; H224-T226 PolarHBondContact O-N 3.1Å; H224-T226 VanDerWaalsContact O-N 3.16Å
227	F	97.8	Very high	98	Very high	69 Å²	69	40.2 Å²	40.2	30%	0.303	22%	0.218	S	C	.	.	H	α-helix	trans	-80.6	-53.5	177	-56.6	-61.4	0	0	0	109.4	G190 S191 D221 G222 H224 E225 Q229 C230 G231	G190-F227 WeakPolarHBondContact CA-O 3.31Å; S191-F227 WeakPolarHBondContact OG-CD1 3.13Å; D221-F227 HydrophobicContact CB-CB 4.11Å; G222-F227 WeakPolarHBondContact O-CD2 3.29Å; H224-F227 HydrophobicContact CB-CD2 3.81Å; H224-F227 HydrophobicContact CB-CE2 4.03Å; H224-F227 PolarHBondContact O-N 2.7Å; E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 3.5Å; F227-Q229 PolarHBondContact O-N 2.84Å; F227-C230 PolarHBondContact O-N 2.92Å; F227-G231 PolarHBondContact O-N 2.69Å
228	L	97.1	Very high	98	Very high	8 Å²	8	40 Å²	40	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-27.3	178.1	-71.1	170.3	0	0	0	113.5	D221 H224 C230 G231 A232 A238 V240 I254	D221-L228 HydrophobicContact CB-CD2 4.04Å; D221-L228 HydrophobicContact CB-CG 4.49Å; H224-L228 PolarHBondContact O-N 3.16Å; L228-C230 PolarHBondContact O-N 3.37Å; L228-G231 PolarHBondContact O-N 3.2Å; L228-A232 HydrophobicContact CD2-CB 4.44Å; L228-A232 WeakPolarHBondContact O-CB 3.41Å; L228-A232 PolarHBondContact O-N 3.25Å; L228-A232 VanDerWaalsContact O-N 3.11Å; L228-A238 HydrophobicContact CD2-CB 4.47Å; L228-V240 HydrophobicContact CD1-CG1 4.06Å; L228-V240 HydrophobicContact CD2-CG1 4.43Å; L228-I254 HydrophobicContact CD1-CG2 3.46Å; L228-I254 VanDerWaalsContact CD1-CG2 3.46Å
229	Q	97.3	Very high	98	Very high	144 Å²	144	39.8 Å²	39.8	67%	0.673	22%	0.216	S	C	*	.	H	α-helix	trans	-53.2	-35.4	174.4	179.7	175.7	-3.8	0	0	113.6	F197 E225 F227	F197-Q229 WeakPolarHBondContact CZ-O 3.42Å; E225-Q229 WeakPolarHBondContact O-CB 3.45Å; E225-Q229 PolarHBondContact O-N 3.2Å; F227-Q229 PolarHBondContact O-N 2.84Å
230	C	98.3	Very high	98	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-111.3	-19.2	179.6	-71.2	0	0	0	0	113.4	Y189 C195 F227 L228	Y189-C230 WeakPolarHBondContact CD1-O 3.4Å; C195-C230 HydrophobicContact CB-CB 3.86Å; C195-C230 WeakPolarHBondContact CB-SG 3.27Å; C195-C230 WeakPolarHBondContact SG-CB 2.99Å; C195-C230 CovalentContact SG-SG 2.04Å; C195-C230 PolarHBondContact SG-SG 3.28Å; F227-C230 PolarHBondContact O-N 2.92Å; L228-C230 PolarHBondContact O-N 3.37Å
231	G	98.2	Very high	98	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-91.4	-28	-177.4	0	0	0	0	0	116.1	D221 F227 L228	D221-G231 WeakPolarHBondContact OD1-CA 3.26Å; D221-G231 VanDerWaalsContact OD2-CA 3.31Å; D221-G231 WeakPolarHBondContact OD2-CA 3.37Å; F227-G231 PolarHBondContact O-N 2.69Å; L228-G231 PolarHBondContact O-N 3.2Å
232	A	98.4	Very high	97.9	Very high	23 Å²	23	40.4 Å²	40.4	19%	0.19	22%	0.219	C	C	.	.			trans	-80.8	139.8	180	0	0	0	0	0	112.2	L228 A238	L228-A232 HydrophobicContact CD2-CB 4.44Å; L228-A232 WeakPolarHBondContact O-CB 3.41Å; L228-A232 PolarHBondContact O-N 3.25Å; L228-A232 VanDerWaalsContact O-N 3.11Å; A232-A238 HydrophobicContact CB-CB 4.21Å
233	L	98.7	Very high	97.8	Very high	20 Å²	20	40.8 Å²	40.8	11%	0.105	22%	0.223	C	C	.	.			trans	-137.4	135.4	176.1	-175.5	75.8	0	0	0	111.2	F197 L200 R201 Q204 G235 L236	F197-L233 HydrophobicContact CD1-CD1 4.07Å; L200-L233 HydrophobicContact CB-CD2 3.88Å; L200-L233 HydrophobicContact CD1-CB 4.39Å; R201-L233 HydrophobicContact CG-CD1 4.07Å; R201-L233 HydrophobicContact CG-CD2 4.04Å; Q204-L233 HydrophobicContact CB-CD2 4.38Å; L233-G235 PolarHBondContact O-N 2.99Å; L233-L236 HydrophobicContact CB-CD1 4.09Å; L233-L236 HydrophobicContact CB-CG 4.41Å; L233-L236 HydrophobicContact CD2-CD1 4.01Å; L233-L236 HydrophobicContact CD2-CG 4.37Å; L233-L236 PolarHBondContact O-N 2.82Å; L233-L236 VanDerWaalsContact O-O 3.06Å
234	Q	98.3	Very high	97.3	Very high	178 Å²	178	40.7 Å²	40.7	83%	0.832	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	124.6	175.9	-179.9	59.7	73.5	0	0	112.2	Q204 L236	Q204-Q234 PolarHBondContact NE2-O 2.92Å; Q204-Q234 VanDerWaalsContact NE2-O 3.11Å; Q234-L236 VanDerWaalsContact C-N 3.34Å
235	G	97.3	Very high	96.5	Very high	47 Å²	47	39.4 Å²	39.4	49%	0.485	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	0.7	179.5	0	0	0	0	0	114.3	Q204 L233	Q204-G235 VanDerWaalsContact NE2-C 3.28Å; Q204-G235 PolarHBondContact NE2-O 3.34Å; L233-G235 PolarHBondContact O-N 2.99Å
236	L	98.8	Very high	96.4	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	-107.5	128.4	157.6	-55.9	-179.1	0	0	0	106.9	V185 Q204 L217 T219 L233 Q234 A238	V185-L236 HydrophobicContact CB-CD1 3.92Å; V185-L236 HydrophobicContact CB-CD2 4.45Å; V185-L236 HydrophobicContact CG1-CD1 4.02Å; V185-L236 HydrophobicContact CG2-CD1 4.22Å; V185-L236 HydrophobicContact CG2-CD2 3.85Å; Q204-L236 HydrophobicContact CB-CD1 4.43Å; Q204-L236 HydrophobicContact CB-CD2 4.08Å; Q204-L236 HydrophobicContact CB-CG 4.45Å; Q204-L236 HydrophobicContact CG-CD2 3.79Å; Q204-L236 HydrophobicContact CG-CG 4.31Å; L217-L236 HydrophobicContact CB-CD2 3.51Å; L217-L236 HydrophobicContact CD1-CD2 3.98Å; L217-L236 HydrophobicContact CG-CD2 4.41Å; T219-L236 HydrophobicContact CG2-CB 4.02Å; T219-L236 HydrophobicContact CG2-CD1 3.72Å; L233-L236 HydrophobicContact CB-CD1 4.09Å; L233-L236 HydrophobicContact CB-CG 4.41Å; L233-L236 HydrophobicContact CD2-CD1 4.01Å; L233-L236 HydrophobicContact CD2-CG 4.37Å; L233-L236 PolarHBondContact O-N 2.82Å; L233-L236 VanDerWaalsContact O-O 3.06Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 3.01Å
237	Y	98.9	Very high	96.5	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123	-177.7	-171.3	-105.2	0	0	0	110.8	I34 Y36 L217 F218 T219 T239 E259 G262 P263 I265	I34-Y237 HydrophobicContact CD1-CD1 4Å; I34-Y237 HydrophobicContact CD1-CD2 3.59Å; I34-Y237 HydrophobicContact CD1-CE2 4.13Å; I34-Y237 HydrophobicContact CD1-CG 3.51Å; Y36-Y237 HydrophobicContact CE1-CD2 4.16Å; Y36-Y237 HydrophobicContact CE1-CE2 4.08Å; L217-Y237 PolarHBondContact O-N 3.39Å; F218-Y237 CarbonylContact C-O 3.54Å; F218-Y237 WeakPolarHBondContact CA-O 3.46Å; F218-Y237 WeakPolarHBondContact CB-O 3.22Å; T219-Y237 PolarHBondContact N-O 3.43Å; Y237-T239 HydrophobicContact CD1-CG2 3.95Å; Y237-T239 HydrophobicContact CE1-CG2 4.36Å; Y237-T239 PolarHBondContact O-N 3.41Å; Y237-E259 WeakPolarHBondContact CA-OE1 3.49Å; Y237-E259 HydrophobicContact CD2-CB 4.48Å; Y237-E259 HydrophobicContact CD2-CG 3.74Å; Y237-E259 WeakPolarHBondContact CD2-OE1 3.47Å; Y237-E259 WeakPolarHBondContact CD2-OE2 3.12Å; Y237-E259 HydrophobicContact CE1-CG 4.42Å; Y237-E259 HydrophobicContact CE2-CB 3.74Å; Y237-E259 HydrophobicContact CE2-CG 3.48Å; Y237-E259 VanDerWaalsContact CE2-CG 3.48Å; Y237-E259 VanDerWaalsContact CE2-OE2 3.29Å; Y237-E259 WeakPolarHBondContact CE2-OE2 3.49Å; Y237-E259 HydrophobicContact CG-CG 4.33Å; Y237-G262 WeakPolarHBondContact OH-CA 3.36Å; Y237-G262 PolarHBondContact OH-O 3.38Å; Y237-P263 HydrophobicContact CE1-CG 4.02Å; Y237-P263 WeakPolarHBondContact CE1-O 3.48Å; Y237-P263 WeakPolarHBondContact OH-CD 3.45Å; Y237-P263 VanDerWaalsContact OH-N 3.16Å; Y237-P263 PolarHBondContact OH-O 3.16Å; Y237-I265 HydrophobicContact CD1-CD1 4.09Å; Y237-I265 HydrophobicContact CE1-CD1 3.83Å; Y237-I265 HydrophobicContact CE1-CG1 4.46Å
238	A	98.8	Very high	96.5	Very high	2 Å²	2	35 Å²	35	2%	0.017	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.1	-177	0	0	0	0	0	111.7	L228 A232 L236 Q255 C258 E259	L228-A238 HydrophobicContact CD2-CB 4.47Å; A232-A238 HydrophobicContact CB-CB 4.21Å; L236-A238 PolarHBondContact O-N 3.01Å; A238-Q255 WeakPolarHBondContact O-CG 3.32Å; A238-Q255 PolarHBondContact O-NE2 3.17Å; A238-C258 HydrophobicContact CB-CB 3.78Å; A238-E259 HydrophobicContact CB-CG 3.79Å; A238-E259 PolarHBondContact N-OE1 3.42Å; A238-E259 WeakPolarHBondContact O-CG 3.24Å
239	T	98.9	Very high	96.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	164.9	172.8	78.3	0	0	0	0	110.4	F218 T219 T220 D221 Y237 I265 S267	F218-T239 HydrophobicContact CB-CG2 4.2Å; F218-T239 HydrophobicContact CD2-CG2 3.68Å; F218-T239 HydrophobicContact CE2-CG2 4.47Å; F218-T239 HydrophobicContact CG-CG2 4.31Å; T219-T239 WeakPolarHBondContact O-CA 3.44Å; T219-T239 WeakPolarHBondContact O-CB 3.21Å; T219-T239 PolarHBondContact O-N 3.31Å; T219-T239 PolarHBondContact O-OG1 2.97Å; T220-T239 PolarHBondContact OG1-OG1 2.85Å; T220-T239 VanDerWaalsContact OG1-OG1 3.05Å; D221-T239 PolarHBondContact N-O 3.14Å; Y237-T239 HydrophobicContact CD1-CG2 3.95Å; Y237-T239 HydrophobicContact CE1-CG2 4.36Å; Y237-T239 PolarHBondContact O-N 3.41Å; T239-I265 HydrophobicContact CG2-CB 3.81Å; T239-I265 HydrophobicContact CG2-CD1 3.74Å; T239-I265 HydrophobicContact CG2-CG1 4.32Å; T239-I265 HydrophobicContact CG2-CG2 3.74Å; T239-S267 WeakPolarHBondContact CB-OG 3.32Å; T239-S267 PolarHBondContact OG1-OG 2.94Å
240	V	98.9	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.4	178.9	-65.5	0	0	0	0	111.7	D221 A223 L228 F242 Q255 I265 N266 S267	D221-V240 WeakPolarHBondContact O-CA 3.49Å; A223-V240 HydrophobicContact CB-CB 3.91Å; A223-V240 HydrophobicContact CB-CG1 4.23Å; A223-V240 HydrophobicContact CB-CG2 4.21Å; L228-V240 HydrophobicContact CD1-CG1 4.06Å; L228-V240 HydrophobicContact CD2-CG1 4.43Å; V240-F242 HydrophobicContact CG2-CD1 4.03Å; V240-F242 HydrophobicContact CG2-CE1 3.94Å; V240-Q255 HydrophobicContact CG1-CB 3.92Å; V240-Q255 HydrophobicContact CG1-CG 4.23Å; V240-Q255 HydrophobicContact CG2-CB 4.05Å; V240-Q255 HydrophobicContact CG2-CG 4.44Å; V240-I265 PolarHBondContact N-O 3.35Å; V240-N266 CarbonylContact O-C 3.6Å; V240-N266 VanDerWaalsContact O-CA 3.26Å; V240-N266 WeakPolarHBondContact O-CA 3.48Å; V240-S267 PolarHBondContact O-N 3.2Å
241	D	98.7	Very high	96.5	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	154.7	162.5	58.3	75.2	0	0	0	111.3	T220 D221 G222 A223 E268 Y270	T220-D241 HydrophobicContact CG2-CB 4.05Å; T220-D241 WeakPolarHBondContact CG2-OD2 3.2Å; D221-D241 PolarHBondContact O-N 3.09Å; G222-D241 VanDerWaalsContact CA-OD1 3.29Å; G222-D241 WeakPolarHBondContact CA-OD1 3.19Å; G222-D241 PolarHBondContact N-OD2 2.79Å; G222-D241 VanDerWaalsContact N-OD2 3.09Å; A223-D241 WeakPolarHBondContact CB-O 3.37Å; A223-D241 PolarHBondContact N-O 2.94Å; D241-E268 HydrophobicContact CB-CB 3.75Å; D241-E268 HydrophobicContact CB-CG 4.44Å; D241-Y270 PolarHBondContact OD1-OH 3.36Å; D241-Y270 VanDerWaalsContact OD1-OH 3.14Å
242	F	98.6	Very high	96.5	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.035	22%	0.215	C	C	.	.			trans	-174.3	149.8	170.9	55.1	-89.7	0	0	0	111.7	A223 V240 I248 A251 F252 N266 E268 I296	A223-F242 HydrophobicContact CB-CB 4.35Å; A223-F242 HydrophobicContact CB-CD1 4.08Å; V240-F242 HydrophobicContact CG2-CD1 4.03Å; V240-F242 HydrophobicContact CG2-CE1 3.94Å; F242-I248 HydrophobicContact CE2-CB 4.48Å; F242-I248 HydrophobicContact CE2-CG1 4.09Å; F242-I248 HydrophobicContact CE2-CG2 4.35Å; F242-I248 HydrophobicContact CZ-CG2 4.32Å; F242-A251 HydrophobicContact CD1-CB 3.53Å; F242-A251 HydrophobicContact CD2-CB 4.35Å; F242-A251 HydrophobicContact CE1-CB 3.62Å; F242-A251 HydrophobicContact CE2-CB 4.44Å; F242-A251 HydrophobicContact CG-CB 3.91Å; F242-A251 HydrophobicContact CZ-CB 4.09Å; F242-F252 HydrophobicContact CE1-CD1 4.33Å; F242-F252 AromaticContact CE1-CE1 3.94Å; F242-F252 HydrophobicContact CE1-CE1 3.94Å; F242-F252 HydrophobicContact CE1-CZ 4.05Å; F242-F252 HydrophobicContact CZ-CD2 4.38Å; F242-F252 HydrophobicContact CZ-CE1 4.06Å; F242-F252 AromaticContact CZ-CE2 3.87Å; F242-F252 HydrophobicContact CZ-CE2 3.87Å; F242-F252 AromaticContact CZ-CZ 3.69Å; F242-F252 HydrophobicContact CZ-CZ 3.69Å; F242-N266 HydrophobicContact CD1-CB 4.37Å; F242-N266 WeakPolarHBondContact CD1-ND2 3.33Å; F242-N266 VanDerWaalsContact CD2-ND2 3.32Å; F242-N266 WeakPolarHBondContact CD2-ND2 3.42Å; F242-N266 HydrophobicContact CE1-CB 3.75Å; F242-N266 WeakPolarHBondContact CE1-ND2 3.48Å; F242-N266 VanDerWaalsContact CE2-ND2 3.27Å; F242-N266 WeakPolarHBondContact CE2-ND2 3.35Å; F242-N266 WeakPolarHBondContact CG-ND2 3.25Å; F242-N266 HydrophobicContact CZ-CB 3.91Å; F242-N266 VanDerWaalsContact CZ-ND2 3.31Å; F242-N266 WeakPolarHBondContact CZ-ND2 3.37Å; F242-N266 PolarHBondContact O-ND2 3.34Å; F242-E268 PolarHBondContact N-O 3.04Å; F242-I296 HydrophobicContact CE2-CD1 3.92Å; F242-I296 HydrophobicContact CE2-CG1 4.28Å; F242-I296 HydrophobicContact CZ-CD1 4.3Å; F242-I296 HydrophobicContact CZ-CG1 4.39Å
243	G	96.2	Very high	96.6	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	23%	0.231	C	C	.	.			trans	-96.1	173.5	-179.2	0	0	0	0	0	115.8	G245 S246	G243-G245 PolarHBondContact O-N 2.86Å; G243-S246 WeakPolarHBondContact O-CB 3.39Å; G243-S246 PolarHBondContact O-N 3.21Å; G243-S246 PolarHBondContact O-OG 3.17Å
244	P	85.8	Confident	96.5	Very high	25 Å²	25	37.6 Å²	37.6	16%	0.162	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	120	168.1	24.6	-31.5	0	0	0	110	F269 Y270 I284 V288 V289	P244-F269 HydrophobicContact CB-CE2 4.22Å; P244-F269 HydrophobicContact CB-CZ 4.37Å; P244-F269 HydrophobicContact CG-CE2 4.4Å; P244-Y270 WeakPolarHBondContact CD-O 3.5Å; P244-Y270 VanDerWaalsContact CG-O 3.27Å; P244-Y270 WeakPolarHBondContact CG-O 3.27Å; P244-I284 HydrophobicContact CB-CG2 4.46Å; P244-I284 HydrophobicContact CG-CD1 4.05Å; P244-I284 HydrophobicContact CG-CG2 3.69Å; P244-V288 HydrophobicContact CB-CB 4.48Å; P244-V288 HydrophobicContact CB-CG1 3.77Å; P244-V289 HydrophobicContact CG-CG2 4.38Å
245	G	81.9	Confident	96.5	Very high	74 Å²	74	29.1 Å²	29.1	76%	0.763	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	119.5	-20.5	-171.9	0	0	0	0	0	113.5	G243	G243-G245 PolarHBondContact O-N 2.86Å
246	S	92	Very high	96.6	Very high	56 Å²	56	29.6 Å²	29.6	39%	0.392	18%	0.179	S	C	.	.	S	Bend	trans	-74.3	147.2	169.3	-58.8	0	0	0	0	111.6	G243 I248	G243-S246 WeakPolarHBondContact O-CB 3.39Å; G243-S246 PolarHBondContact O-N 3.21Å; G243-S246 PolarHBondContact O-OG 3.17Å; S246-I248 PolarHBondContact O-N 2.82Å; S246-I248 VanDerWaalsContact O-N 3.1Å
247	N	97	Very high	96.5	Very high	85 Å²	85	35.6 Å²	35.6	46%	0.455	20%	0.204	S	C	.	.			trans	-72.8	105	169.7	-177.2	-5.2	0	0	0	109.7	T249 D250 A251	N247-T249 PolarHBondContact O-N 2.82Å; N247-T249 VanDerWaalsContact O-N 3.14Å; N247-T249 WeakPolarHBondContact OD1-CB 3.46Å; N247-T249 PolarHBondContact OD1-N 3.09Å; N247-T249 PolarHBondContact OD1-OG1 3.38Å; N247-D250 HydrophobicContact CB-CB 4.17Å; N247-D250 WeakPolarHBondContact CB-OD2 3.46Å; N247-D250 VanDerWaalsContact CG-CG 3.49Å; N247-D250 PolarHBondContact ND2-OD1 3.19Å; N247-D250 PolarHBondContact ND2-OD2 3.32Å; N247-D250 PolarHBondContact O-N 2.72Å; N247-A251 PolarHBondContact O-N 3.14Å
248	I	98.1	Very high	96.5	Very high	14 Å²	14	37.7 Å²	37.7	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-56.5	-30.6	-178.5	-56.2	168.4	0	0	0	111.9	F242 S246 F252 D295 I296	F242-I248 HydrophobicContact CE2-CB 4.48Å; F242-I248 HydrophobicContact CE2-CG1 4.09Å; F242-I248 HydrophobicContact CE2-CG2 4.35Å; F242-I248 HydrophobicContact CZ-CG2 4.32Å; S246-I248 PolarHBondContact O-N 2.82Å; S246-I248 VanDerWaalsContact O-N 3.1Å; I248-F252 HydrophobicContact CG2-CD2 3.74Å; I248-F252 HydrophobicContact CG2-CE2 3.65Å; I248-F252 VanDerWaalsContact O-CD2 3.28Å; I248-F252 WeakPolarHBondContact O-CD2 3.36Å; I248-F252 PolarHBondContact O-N 2.95Å; I248-D295 HydrophobicContact CD1-CB 3.57Å; I248-I296 HydrophobicContact CD1-CG1 4.22Å; I248-I296 HydrophobicContact CG1-CG1 4.5Å; I248-I296 HydrophobicContact CG2-CG1 3.95Å
249	T	97.6	Very high	96.4	Very high	47 Å²	47	39.1 Å²	39.1	29%	0.288	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-50.2	176.2	-50	0	0	0	0	111	N247 F252 Q253 R299	N247-T249 PolarHBondContact O-N 2.82Å; N247-T249 VanDerWaalsContact O-N 3.14Å; N247-T249 WeakPolarHBondContact OD1-CB 3.46Å; N247-T249 PolarHBondContact OD1-N 3.09Å; N247-T249 PolarHBondContact OD1-OG1 3.38Å; T249-F252 PolarHBondContact O-N 3.07Å; T249-Q253 WeakPolarHBondContact O-CG 3.38Å; T249-Q253 PolarHBondContact O-N 3.49Å; T249-R299 PolarHBondContact OG1-NH2 2.62Å
250	D	97.8	Very high	96.4	Very high	80 Å²	80	43.5 Å²	43.5	43%	0.428	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-42.5	-175.4	-55.9	-10.3	0	0	0	109.8	N247 F252 Q253 I254	N247-D250 HydrophobicContact CB-CB 4.17Å; N247-D250 WeakPolarHBondContact CB-OD2 3.46Å; N247-D250 VanDerWaalsContact CG-CG 3.49Å; N247-D250 PolarHBondContact ND2-OD1 3.19Å; N247-D250 PolarHBondContact ND2-OD2 3.32Å; N247-D250 PolarHBondContact O-N 2.72Å; D250-F252 PolarHBondContact O-N 3.03Å; D250-Q253 CarbonylContact O-C 3.58Å; D250-Q253 WeakPolarHBondContact O-CA 3.25Å; D250-Q253 WeakPolarHBondContact O-CB 3.49Å; D250-Q253 PolarHBondContact O-N 2.98Å; D250-Q253 VanDerWaalsContact O-N 3.09Å; D250-I254 WeakPolarHBondContact O-CG1 3.34Å; D250-I254 PolarHBondContact O-N 3.35Å
251	A	98.3	Very high	96.4	Very high	6 Å²	6	49.5 Å²	49.5	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-46	177	0	0	0	0	0	112.7	A223 F242 N247 I254 Q255	A223-A251 HydrophobicContact CB-CB 3.65Å; F242-A251 HydrophobicContact CD1-CB 3.53Å; F242-A251 HydrophobicContact CD2-CB 4.35Å; F242-A251 HydrophobicContact CE1-CB 3.62Å; F242-A251 HydrophobicContact CE2-CB 4.44Å; F242-A251 HydrophobicContact CG-CB 3.91Å; F242-A251 HydrophobicContact CZ-CB 4.09Å; N247-A251 PolarHBondContact O-N 3.14Å; A251-I254 WeakPolarHBondContact O-CB 3.36Å; A251-I254 PolarHBondContact O-N 3.32Å; A251-Q255 PolarHBondContact O-N 2.84Å; A251-Q255 VanDerWaalsContact O-N 3.11Å
252	F	98.7	Very high	96.4	Very high	5 Å²	5	49 Å²	49	2%	0.022	28%	0.278	C	S	.	.	H	α-helix	trans	-75.2	-25.2	175.5	-74.1	-46.3	0	0	0	113.8	F242 I248 T249 D250 I254 Q255 R256 L264 N266 I296 A301	F242-F252 HydrophobicContact CE1-CD1 4.33Å; F242-F252 AromaticContact CE1-CE1 3.94Å; F242-F252 HydrophobicContact CE1-CE1 3.94Å; F242-F252 HydrophobicContact CE1-CZ 4.05Å; F242-F252 HydrophobicContact CZ-CD2 4.38Å; F242-F252 HydrophobicContact CZ-CE1 4.06Å; F242-F252 AromaticContact CZ-CE2 3.87Å; F242-F252 HydrophobicContact CZ-CE2 3.87Å; F242-F252 AromaticContact CZ-CZ 3.69Å; F242-F252 HydrophobicContact CZ-CZ 3.69Å; I248-F252 HydrophobicContact CG2-CD2 3.74Å; I248-F252 HydrophobicContact CG2-CE2 3.65Å; I248-F252 VanDerWaalsContact O-CD2 3.28Å; I248-F252 WeakPolarHBondContact O-CD2 3.36Å; I248-F252 PolarHBondContact O-N 2.95Å; T249-F252 PolarHBondContact O-N 3.07Å; D250-F252 PolarHBondContact O-N 3.03Å; F252-I254 VanDerWaalsContact C-N 3.32Å; F252-Q255 PolarHBondContact O-N 2.89Å; F252-R256 WeakPolarHBondContact O-CB 3.13Å; F252-R256 VanDerWaalsContact O-CG 3.32Å; F252-R256 WeakPolarHBondContact O-CG 3.47Å; F252-R256 PolarHBondContact O-N 3.11Å; F252-L264 HydrophobicContact CB-CD1 4.08Å; F252-L264 HydrophobicContact CB-CD2 3.89Å; F252-L264 HydrophobicContact CD1-CB 3.93Å; F252-L264 HydrophobicContact CD1-CD1 4.35Å; F252-L264 HydrophobicContact CD1-CD2 3.9Å; F252-L264 HydrophobicContact CD1-CG 4.28Å; F252-L264 HydrophobicContact CD2-CD1 4.16Å; F252-L264 HydrophobicContact CE1-CB 3.97Å; F252-L264 HydrophobicContact CG-CB 4.36Å; F252-L264 HydrophobicContact CG-CD1 3.96Å; F252-L264 HydrophobicContact CG-CD2 4.06Å; F252-L264 HydrophobicContact CG-CG 4.36Å; F252-L264 HydrophobicContact CZ-CB 4.41Å; F252-N266 HydrophobicContact CE1-CB 4.4Å; F252-N266 HydrophobicContact CZ-CB 4.27Å; F252-I296 HydrophobicContact CE2-CG1 4.35Å; F252-I296 HydrophobicContact CE2-CG2 4.32Å; F252-I296 HydrophobicContact CZ-CG2 4.11Å; F252-A301 HydrophobicContact CE1-CB 4.26Å; F252-A301 HydrophobicContact CE2-CB 3.94Å; F252-A301 HydrophobicContact CZ-CB 3.58Å
253	Q	98.5	Very high	96.4	Very high	112 Å²	112	48.8 Å²	48.8	52%	0.523	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-35.7	167.9	-76.6	178.4	9	0	0	111.8	T249 D250 R256 K257	T249-Q253 WeakPolarHBondContact O-CG 3.38Å; T249-Q253 PolarHBondContact O-N 3.49Å; D250-Q253 CarbonylContact O-C 3.58Å; D250-Q253 WeakPolarHBondContact O-CA 3.25Å; D250-Q253 WeakPolarHBondContact O-CB 3.49Å; D250-Q253 PolarHBondContact O-N 2.98Å; D250-Q253 VanDerWaalsContact O-N 3.09Å; Q253-R256 PolarHBondContact O-N 2.9Å; Q253-K257 PolarHBondContact O-N 2.95Å
254	I	98.2	Very high	96.5	Very high	20 Å²	20	49.5 Å²	49.5	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-47.2	173.3	-67	-65.3	0	0	0	110.6	E225 L228 D250 A251 F252 R256 K257	E225-I254 HydrophobicContact CG-CD1 3.66Å; L228-I254 HydrophobicContact CD1-CG2 3.46Å; L228-I254 VanDerWaalsContact CD1-CG2 3.46Å; D250-I254 WeakPolarHBondContact O-CG1 3.34Å; D250-I254 PolarHBondContact O-N 3.35Å; A251-I254 WeakPolarHBondContact O-CB 3.36Å; A251-I254 PolarHBondContact O-N 3.32Å; F252-I254 VanDerWaalsContact C-N 3.32Å; I254-R256 VanDerWaalsContact C-N 3.27Å; I254-R256 PolarHBondContact O-N 2.97Å; I254-K257 HydrophobicContact CD1-CD 4.24Å; I254-K257 WeakPolarHBondContact O-CB 3.37Å; I254-K257 PolarHBondContact O-N 2.79Å; I254-K257 VanDerWaalsContact O-N 3.1Å
255	Q	98.6	Very high	97.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.1	-44.7	172.1	-165.1	-166.1	2	0	0	111.4	A238 V240 A251 F252 K257 C258 E259 P263 I265	A238-Q255 WeakPolarHBondContact O-CG 3.32Å; A238-Q255 PolarHBondContact O-NE2 3.17Å; V240-Q255 HydrophobicContact CG1-CB 3.92Å; V240-Q255 HydrophobicContact CG1-CG 4.23Å; V240-Q255 HydrophobicContact CG2-CB 4.05Å; V240-Q255 HydrophobicContact CG2-CG 4.44Å; A251-Q255 PolarHBondContact O-N 2.84Å; A251-Q255 VanDerWaalsContact O-N 3.11Å; F252-Q255 PolarHBondContact O-N 2.89Å; Q255-K257 PolarHBondContact O-N 2.93Å; Q255-K257 VanDerWaalsContact O-N 3.16Å; Q255-C258 PolarHBondContact O-N 2.88Å; Q255-E259 PolarHBondContact O-N 3.29Å; Q255-P263 PolarHBondContact NE2-O 3.45Å; Q255-I265 PolarHBondContact OE1-O 3.16Å
256	R	98.5	Very high	97.9	Very high	57 Å²	57	44.9 Å²	44.9	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-14.9	179.7	-81.1	-80.3	178.2	-95.5	4.2	115.3	D39 F252 Q253 I254 E259 P260 G262 L264	D39-R256 IonicContact OD1-NH2 3.86Å; D39-R256 IonicContact OD2-CZ 3.22Å; D39-R256 IonicContact OD2-NH2 2.7Å; D39-R256 PolarHBondContact OD2-NH2 3.42Å; F252-R256 WeakPolarHBondContact O-CB 3.13Å; F252-R256 VanDerWaalsContact O-CG 3.32Å; F252-R256 WeakPolarHBondContact O-CG 3.47Å; F252-R256 PolarHBondContact O-N 3.11Å; Q253-R256 PolarHBondContact O-N 2.9Å; I254-R256 VanDerWaalsContact C-N 3.27Å; I254-R256 PolarHBondContact O-N 2.97Å; R256-E259 WeakPolarHBondContact CD-O 3.31Å; R256-E259 PolarHBondContact NH1-O 3.06Å; R256-P260 WeakPolarHBondContact O-CA 3.42Å; R256-G262 VanDerWaalsContact CZ-O 3.32Å; R256-G262 PolarHBondContact NH1-O 2.84Å; R256-G262 PolarHBondContact NH2-O 3.21Å; R256-L264 HydrophobicContact CG-CD2 3.97Å
257	K	97.4	Very high	98.3	Very high	127 Å²	127	42.2 Å²	42.2	55%	0.552	22%	0.215	S	C	*	.	H	α-helix	trans	-74.4	-32.5	171	-70.3	171.8	-177	176	0	112.1	E225 Q253 I254 Q255	E225-K257 WeakPolarHBondContact OE1-CD 3.38Å; E225-K257 IonicContact OE1-NZ 3.63Å; E225-K257 PolarHBondContact OE1-NZ 3.47Å; Q253-K257 PolarHBondContact O-N 2.95Å; I254-K257 HydrophobicContact CD1-CD 4.24Å; I254-K257 WeakPolarHBondContact O-CB 3.37Å; I254-K257 PolarHBondContact O-N 2.79Å; I254-K257 VanDerWaalsContact O-N 3.1Å; Q255-K257 PolarHBondContact O-N 2.93Å; Q255-K257 VanDerWaalsContact O-N 3.16Å
258	C	97.1	Very high	98.4	Very high	50 Å²	50	38.5 Å²	38.5	34%	0.338	20%	0.195	S	C	.	.	H	α-helix	trans	-89.6	-40.9	175.4	-63.4	0	0	0	0	111.9	A238 Q255 P260	A238-C258 HydrophobicContact CB-CB 3.78Å; Q255-C258 PolarHBondContact O-N 2.88Å; C258-P260 WeakPolarHBondContact O-CD 3.5Å
259	E	98.3	Very high	98.4	Very high	31 Å²	31	37.9 Å²	37.9	15%	0.145	19%	0.192	C	C	.	.			trans	-120.1	81.1	179	-65	-63.9	171.1	0	0	111.2	Y237 A238 Q255 R256 K261	Y237-E259 WeakPolarHBondContact CA-OE1 3.49Å; Y237-E259 HydrophobicContact CD2-CB 4.48Å; Y237-E259 HydrophobicContact CD2-CG 3.74Å; Y237-E259 WeakPolarHBondContact CD2-OE1 3.47Å; Y237-E259 WeakPolarHBondContact CD2-OE2 3.12Å; Y237-E259 HydrophobicContact CE1-CG 4.42Å; Y237-E259 HydrophobicContact CE2-CB 3.74Å; Y237-E259 HydrophobicContact CE2-CG 3.48Å; Y237-E259 VanDerWaalsContact CE2-CG 3.48Å; Y237-E259 VanDerWaalsContact CE2-OE2 3.29Å; Y237-E259 WeakPolarHBondContact CE2-OE2 3.49Å; Y237-E259 HydrophobicContact CG-CG 4.33Å; A238-E259 HydrophobicContact CB-CG 3.79Å; A238-E259 PolarHBondContact N-OE1 3.42Å; A238-E259 WeakPolarHBondContact O-CG 3.24Å; Q255-E259 PolarHBondContact O-N 3.29Å; R256-E259 WeakPolarHBondContact CD-O 3.31Å; R256-E259 PolarHBondContact NH1-O 3.06Å; E259-K261 PolarHBondContact O-N 2.95Å
260	P	98.4	Very high	98.5	Very high	92 Å²	92	36.8 Å²	36.8	60%	0.597	18%	0.183	S	C	*	.	S	Bend	trans	-60.4	-12.6	179.4	-25.1	34.8	0	0	0	114.9	R256 C258	R256-P260 WeakPolarHBondContact O-CA 3.42Å; C258-P260 WeakPolarHBondContact O-CD 3.5Å
261	K	98.4	Very high	98.5	Very high	126 Å²	126	33 Å²	33	55%	0.548	16%	0.162	S	C	.	.	S	Bend	trans	-145.4	152.9	-177.1	-77.2	-172	-179.1	-178.6	0	110	Y36 D39 E259	Y36-K261 HydrophobicContact CD1-CB 4.24Å; Y36-K261 WeakPolarHBondContact O-CB 3.4Å; D39-K261 WeakPolarHBondContact OD1-CA 3.48Å; E259-K261 PolarHBondContact O-N 2.95Å
262	G	98.6	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	104.2	176.1	-176.8	0	0	0	0	0	112.8	D39 Y237 R256	D39-G262 WeakPolarHBondContact CA-O 3.29Å; D39-G262 PolarHBondContact OD1-N 2.92Å; Y237-G262 WeakPolarHBondContact OH-CA 3.36Å; Y237-G262 PolarHBondContact OH-O 3.38Å; R256-G262 VanDerWaalsContact CZ-O 3.32Å; R256-G262 PolarHBondContact NH1-O 2.84Å; R256-G262 PolarHBondContact NH2-O 3.21Å
263	P	98.8	Very high	98.5	Very high	4 Å²	4	38 Å²	38	3%	0.026	18%	0.18	C	C	.	.			trans	-60.8	135.9	-175.6	24.6	-33.9	0	0	0	113	D39 F41 Y237 Q255 I265	D39-P263 WeakPolarHBondContact O-CA 3.47Å; F41-P263 HydrophobicContact CD1-CG 4.27Å; F41-P263 HydrophobicContact CD2-CB 4.07Å; F41-P263 HydrophobicContact CD2-CG 3.94Å; F41-P263 HydrophobicContact CE1-CG 3.95Å; F41-P263 HydrophobicContact CE2-CB 3.9Å; F41-P263 HydrophobicContact CE2-CG 3.6Å; F41-P263 HydrophobicContact CG-CG 4.28Å; F41-P263 HydrophobicContact CZ-CB 4.42Å; F41-P263 HydrophobicContact CZ-CG 3.63Å; Y237-P263 HydrophobicContact CE1-CG 4.02Å; Y237-P263 WeakPolarHBondContact CE1-O 3.48Å; Y237-P263 WeakPolarHBondContact OH-CD 3.45Å; Y237-P263 VanDerWaalsContact OH-N 3.16Å; Y237-P263 PolarHBondContact OH-O 3.16Å; Q255-P263 PolarHBondContact NE2-O 3.45Å; P263-I265 HydrophobicContact CB-CD1 4.33Å; P263-I265 HydrophobicContact CB-CG1 4.12Å; P263-I265 HydrophobicContact CG-CD1 3.98Å; P263-I265 HydrophobicContact CG-CG1 4.29Å
264	L	98.9	Very high	98.5	Very high	29 Å²	29	33.3 Å²	33.3	15%	0.152	16%	0.159	C	C	.	.			trans	-67.1	133.9	160.3	-68.6	-179.6	0	0	0	108.9	F252 R256 A301 S302	F252-L264 HydrophobicContact CB-CD1 4.08Å; F252-L264 HydrophobicContact CB-CD2 3.89Å; F252-L264 HydrophobicContact CD1-CB 3.93Å; F252-L264 HydrophobicContact CD1-CD1 4.35Å; F252-L264 HydrophobicContact CD1-CD2 3.9Å; F252-L264 HydrophobicContact CD1-CG 4.28Å; F252-L264 HydrophobicContact CD2-CD1 4.16Å; F252-L264 HydrophobicContact CE1-CB 3.97Å; F252-L264 HydrophobicContact CG-CB 4.36Å; F252-L264 HydrophobicContact CG-CD1 3.96Å; F252-L264 HydrophobicContact CG-CD2 4.06Å; F252-L264 HydrophobicContact CG-CG 4.36Å; F252-L264 HydrophobicContact CZ-CB 4.41Å; R256-L264 HydrophobicContact CG-CD2 3.97Å; L264-A301 HydrophobicContact CB-CB 3.63Å; L264-A301 CarbonylContact O-C 3.51Å; L264-A301 VanDerWaalsContact O-CA 3.31Å; L264-A301 WeakPolarHBondContact O-CA 3.06Å; L264-S302 PolarHBondContact O-N 3.09Å
265	I	98.9	Very high	98.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.6	-175.1	-62	179.5	0	0	0	110.1	F41 Y50 Y237 T239 V240 Q255 P263 S267 S302	F41-I265 HydrophobicContact CE2-CD1 3.79Å; F41-I265 HydrophobicContact CE2-CG1 4.43Å; F41-I265 HydrophobicContact CZ-CD1 3.58Å; Y50-I265 WeakPolarHBondContact OH-CG2 3.38Å; Y237-I265 HydrophobicContact CD1-CD1 4.09Å; Y237-I265 HydrophobicContact CE1-CD1 3.83Å; Y237-I265 HydrophobicContact CE1-CG1 4.46Å; T239-I265 HydrophobicContact CG2-CB 3.81Å; T239-I265 HydrophobicContact CG2-CD1 3.74Å; T239-I265 HydrophobicContact CG2-CG1 4.32Å; T239-I265 HydrophobicContact CG2-CG2 3.74Å; V240-I265 PolarHBondContact N-O 3.35Å; Q255-I265 PolarHBondContact OE1-O 3.16Å; P263-I265 HydrophobicContact CB-CD1 4.33Å; P263-I265 HydrophobicContact CB-CG1 4.12Å; P263-I265 HydrophobicContact CG-CD1 3.98Å; P263-I265 HydrophobicContact CG-CG1 4.29Å; I265-S267 VanDerWaalsContact CG2-OG 3.32Å; I265-S267 WeakPolarHBondContact CG2-OG 2.88Å; I265-S302 WeakPolarHBondContact CA-O 3.18Å
266	N	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.6	157.4	-177	-18.2	0	0	0	108.8	V240 F242 F252 E268 F269 S302 V303 N304	V240-N266 CarbonylContact O-C 3.6Å; V240-N266 VanDerWaalsContact O-CA 3.26Å; V240-N266 WeakPolarHBondContact O-CA 3.48Å; F242-N266 HydrophobicContact CD1-CB 4.37Å; F242-N266 WeakPolarHBondContact CD1-ND2 3.33Å; F242-N266 VanDerWaalsContact CD2-ND2 3.32Å; F242-N266 WeakPolarHBondContact CD2-ND2 3.42Å; F242-N266 HydrophobicContact CE1-CB 3.75Å; F242-N266 WeakPolarHBondContact CE1-ND2 3.48Å; F242-N266 VanDerWaalsContact CE2-ND2 3.27Å; F242-N266 WeakPolarHBondContact CE2-ND2 3.35Å; F242-N266 WeakPolarHBondContact CG-ND2 3.25Å; F242-N266 HydrophobicContact CZ-CB 3.91Å; F242-N266 VanDerWaalsContact CZ-ND2 3.31Å; F242-N266 WeakPolarHBondContact CZ-ND2 3.37Å; F242-N266 PolarHBondContact O-ND2 3.34Å; F252-N266 HydrophobicContact CE1-CB 4.4Å; F252-N266 HydrophobicContact CZ-CB 4.27Å; N266-E268 PolarHBondContact OD1-N 2.93Å; N266-E268 PolarHBondContact OD1-O 3.25Å; N266-E268 VanDerWaalsContact OD1-O 3.09Å; N266-F269 PolarHBondContact OD1-N 3.49Å; N266-F269 VanDerWaalsContact OD1-N 3.16Å; N266-S302 PolarHBondContact N-O 2.96Å; N266-S302 VanDerWaalsContact N-O 3.12Å; N266-V303 HydrophobicContact CB-CG2 4.39Å; N266-V303 CarbonylContact O-C 3.55Å; N266-V303 WeakPolarHBondContact O-CA 3.23Å; N266-N304 PolarHBondContact O-N 3.42Å
267	S	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-18.7	-175.5	-68.8	0	0	0	0	113.6	Q81 T220 T239 V240 I265 N304	Q81-S267 PolarHBondContact NE2-O 3.34Å; T220-S267 WeakPolarHBondContact OG1-CB 3.49Å; T220-S267 PolarHBondContact OG1-OG 3.1Å; T239-S267 WeakPolarHBondContact CB-OG 3.32Å; T239-S267 PolarHBondContact OG1-OG 2.94Å; V240-S267 PolarHBondContact O-N 3.2Å; I265-S267 VanDerWaalsContact CG2-OG 3.32Å; I265-S267 WeakPolarHBondContact CG2-OG 2.88Å; S267-N304 WeakPolarHBondContact O-CB 3.17Å; S267-N304 PolarHBondContact O-ND2 2.66Å
268	E	98.8	Very high	98.4	Very high	7 Å²	7	28 Å²	28	3%	0.033	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	89.2	169.1	-57.9	-170.3	176.6	0	0	110.6	Y83 R121 D241 F242 N266 Y270 Y306	Y83-E268 PolarHBondContact OH-OE1 3.02Å; R121-E268 IonicContact CZ-OE1 3.14Å; R121-E268 IonicContact NH1-OE1 3.26Å; R121-E268 PolarHBondContact NH1-OE1 3.49Å; R121-E268 IonicContact NH2-OE1 2.77Å; R121-E268 PolarHBondContact NH2-OE1 3.06Å; D241-E268 HydrophobicContact CB-CB 3.75Å; D241-E268 HydrophobicContact CB-CG 4.44Å; F242-E268 PolarHBondContact N-O 3.04Å; N266-E268 PolarHBondContact OD1-N 2.93Å; N266-E268 PolarHBondContact OD1-O 3.25Å; N266-E268 VanDerWaalsContact OD1-O 3.09Å; E268-Y270 HydrophobicContact CB-CD1 4.3Å; E268-Y270 HydrophobicContact CB-CE1 3.59Å; E268-Y270 PolarHBondContact O-N 2.95Å; E268-Y270 WeakPolarHBondContact OE2-CE1 3.46Å; E268-Y270 PolarHBondContact OE2-OH 3.14Å; E268-Y306 HydrophobicContact CB-CG 4.18Å; E268-Y306 HydrophobicContact CG-CD2 4.03Å; E268-Y306 HydrophobicContact CG-CG 4.14Å
269	F	98.9	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.1	169.9	174.5	-117.7	0	0	0	109.5	P244 N266 T271 V289 L293 I296 V303 N304 L305 Y306	P244-F269 HydrophobicContact CB-CE2 4.22Å; P244-F269 HydrophobicContact CB-CZ 4.37Å; P244-F269 HydrophobicContact CG-CE2 4.4Å; N266-F269 PolarHBondContact OD1-N 3.49Å; N266-F269 VanDerWaalsContact OD1-N 3.16Å; F269-T271 PolarHBondContact O-N 2.93Å; F269-V289 HydrophobicContact CE1-CG1 3.62Å; F269-V289 HydrophobicContact CZ-CG1 3.95Å; F269-V289 WeakPolarHBondContact CZ-O 3.48Å; F269-L293 HydrophobicContact CE1-CB 4.04Å; F269-I296 HydrophobicContact CD2-CD1 3.74Å; F269-I296 HydrophobicContact CE2-CD1 4.06Å; F269-I296 HydrophobicContact CG-CD1 4.06Å; F269-V303 HydrophobicContact CB-CG2 3.69Å; F269-V303 HydrophobicContact CD1-CG2 4.42Å; F269-V303 HydrophobicContact CG-CG2 4.26Å; F269-N304 WeakPolarHBondContact CB-O 3.48Å; F269-N304 PolarHBondContact N-O 2.94Å; F269-L305 HydrophobicContact CD1-CG 4.22Å; F269-Y306 PolarHBondContact O-N 2.69Å
270	Y	98.6	Very high	98.4	Very high	24 Å²	24	34 Å²	34	9%	0.094	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	109.7	-170.5	-54.1	-55.7	0	0	0	113.4	D241 P244 E268 G272 W273 Y306 Y333	D241-Y270 PolarHBondContact OD1-OH 3.36Å; D241-Y270 VanDerWaalsContact OD1-OH 3.14Å; P244-Y270 WeakPolarHBondContact CD-O 3.5Å; P244-Y270 VanDerWaalsContact CG-O 3.27Å; P244-Y270 WeakPolarHBondContact CG-O 3.27Å; E268-Y270 HydrophobicContact CB-CD1 4.3Å; E268-Y270 HydrophobicContact CB-CE1 3.59Å; E268-Y270 PolarHBondContact O-N 2.95Å; E268-Y270 WeakPolarHBondContact OE2-CE1 3.46Å; E268-Y270 PolarHBondContact OE2-OH 3.14Å; Y270-G272 VanDerWaalsContact C-N 3.29Å; Y270-W273 HydrophobicContact CD1-CE3 4.37Å; Y270-W273 AromaticContact CD1-CZ3 3.86Å; Y270-W273 HydrophobicContact CD1-CZ3 3.86Å; Y270-W273 HydrophobicContact CD2-CE3 4.46Å; Y270-W273 AromaticContact CD2-CZ3 3.7Å; Y270-W273 HydrophobicContact CD2-CZ3 3.7Å; Y270-W273 HydrophobicContact CE1-CZ3 4.07Å; Y270-W273 HydrophobicContact CE2-CH2 4.5Å; Y270-W273 AromaticContact CE2-CZ3 3.94Å; Y270-W273 HydrophobicContact CE2-CZ3 3.94Å; Y270-W273 HydrophobicContact CG-CE3 4.13Å; Y270-W273 AromaticContact CG-CZ3 3.69Å; Y270-W273 HydrophobicContact CG-CZ3 3.69Å; Y270-Y306 CarbonylContact C-O 3.55Å; Y270-Y306 VanDerWaalsContact CA-O 3.23Å; Y270-Y306 WeakPolarHBondContact CA-O 3.4Å; Y270-Y306 HydrophobicContact CD1-CD1 4.04Å; Y270-Y306 HydrophobicContact CE1-CD1 4.16Å; Y270-Y333 WeakPolarHBondContact CD1-OH 3.43Å
271	T	98.8	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-79.6	-15.1	179.8	55.8	0	0	0	0	114.2	F269 V289 L305 Y306 M307 P336 K346	F269-T271 PolarHBondContact O-N 2.93Å; T271-V289 HydrophobicContact CG2-CG1 4.28Å; T271-V289 WeakPolarHBondContact O-CG2 3.41Å; T271-L305 HydrophobicContact CG2-CB 3.85Å; T271-L305 HydrophobicContact CG2-CD2 3.96Å; T271-L305 HydrophobicContact CG2-CG 4.37Å; T271-Y306 PolarHBondContact N-O 2.86Å; T271-Y306 PolarHBondContact OG1-O 2.77Å; T271-M307 PolarHBondContact OG1-N 2.94Å; T271-M307 PolarHBondContact OG1-O 3.4Å; T271-P336 HydrophobicContact CG2-CG 4.02Å; T271-K346 PolarHBondContact O-NZ 3.41Å
272	G	98.5	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-171.1	-152.4	-171	0	0	0	0	0	107.3	Y270 I284 Y333	Y270-G272 VanDerWaalsContact C-N 3.29Å; G272-I284 VanDerWaalsContact O-CD1 3.3Å; G272-I284 WeakPolarHBondContact O-CD1 3.46Å; G272-Y333 VanDerWaalsContact CA-O 3.25Å; G272-Y333 WeakPolarHBondContact CA-O 3.49Å; G272-Y333 WeakPolarHBondContact O-CE1 3.48Å
273	W	98.5	Very high	98.4	Very high	116 Å²	116	31.5 Å²	31.5	44%	0.439	17%	0.169	S	C	.	.			trans	-155.1	171.3	179	-160.3	-111.8	0	0	0	112.3	Y270 Y333	Y270-W273 HydrophobicContact CD1-CE3 4.37Å; Y270-W273 AromaticContact CD1-CZ3 3.86Å; Y270-W273 HydrophobicContact CD1-CZ3 3.86Å; Y270-W273 HydrophobicContact CD2-CE3 4.46Å; Y270-W273 AromaticContact CD2-CZ3 3.7Å; Y270-W273 HydrophobicContact CD2-CZ3 3.7Å; Y270-W273 HydrophobicContact CE1-CZ3 4.07Å; Y270-W273 HydrophobicContact CE2-CH2 4.5Å; Y270-W273 AromaticContact CE2-CZ3 3.94Å; Y270-W273 HydrophobicContact CE2-CZ3 3.94Å; Y270-W273 HydrophobicContact CG-CE3 4.13Å; Y270-W273 AromaticContact CG-CZ3 3.69Å; Y270-W273 HydrophobicContact CG-CZ3 3.69Å; W273-Y333 VanDerWaalsContact C-CE2 3.47Å; W273-Y333 PolarHBondContact N-O 2.97Å; W273-Y333 WeakPolarHBondContact O-CD2 3.3Å
274	L	97.9	Very high	98.3	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.079	18%	0.178	C	C	.	.			trans	-74.2	160.1	175	67.1	90.4	0	0	0	112.8	E129 H276 S282 Q327	E129-L274 VanDerWaalsContact CD-CD2 3.47Å; E129-L274 HydrophobicContact CG-CB 3.66Å; E129-L274 HydrophobicContact CG-CD2 3.6Å; E129-L274 HydrophobicContact CG-CG 4.15Å; L274-H276 WeakPolarHBondContact CD1-CE1 3.47Å; L274-H276 WeakPolarHBondContact CD1-NE2 3.5Å; L274-S282 WeakPolarHBondContact O-CB 3.37Å; L274-S282 PolarHBondContact O-OG 3.32Å; L274-Q327 HydrophobicContact CD1-CG 4.24Å
275	D	98.6	Very high	98.3	Very high	14 Å²	14	39.3 Å²	39.3	8%	0.075	20%	0.203	C	C	.	.			trans	-113.1	165.7	175.7	-77.4	-9	0	0	0	111.8	H281 S282 Q327 P328	D275-H281 WeakPolarHBondContact OD1-CA 3.33Å; D275-H281 IonicContact OD1-ND1 3.39Å; D275-H281 PolarHBondContact OD1-ND1 3.38Å; D275-H281 IonicContact OD2-CE1 3.48Å; D275-H281 IonicContact OD2-CG 2.71Å; D275-H281 IonicContact OD2-ND1 3.54Å; D275-H281 PolarHBondContact OD2-ND1 3.29Å; D275-S282 WeakPolarHBondContact OD1-CB 3.25Å; D275-S282 PolarHBondContact OD1-N 3.17Å; D275-Q327 WeakPolarHBondContact O-CA 3.28Å; D275-Q327 VanDerWaalsContact O-CG 3.24Å; D275-Q327 WeakPolarHBondContact O-CG 3.29Å; D275-P328 VanDerWaalsContact C-CD 3.45Å; D275-P328 HydrophobicContact CB-CG 3.45Å; D275-P328 VanDerWaalsContact CB-CG 3.45Å; D275-P328 WeakPolarHBondContact O-CD 3.32Å
276	H	98.7	Very high	98.3	Very high	38 Å²	38	40.4 Å²	40.4	18%	0.176	21%	0.21	C	C	.	.			trans	-134.5	150	166.6	-60.7	114.8	0	0	0	111.4	L274 G278 Q279 N321 A325 A326	L274-H276 WeakPolarHBondContact CD1-CE1 3.47Å; L274-H276 WeakPolarHBondContact CD1-NE2 3.5Å; H276-G278 PolarHBondContact O-N 3.01Å; H276-Q279 HydrophobicContact CB-CB 4.41Å; H276-Q279 HydrophobicContact CB-CG 4.01Å; H276-Q279 PolarHBondContact O-N 3.18Å; H276-N321 PolarHBondContact CE1-OD1 2.73Å; H276-N321 PolarHBondContact NE2-OD1 3.01Å; H276-A325 HydrophobicContact CB-CB 4.32Å; H276-A325 PolarHBondContact CD2-O 2.86Å; H276-A326 WeakPolarHBondContact CA-O 3.23Å
277	W	98.4	Very high	98.3	Very high	12 Å²	12	46.4 Å²	46.4	5%	0.045	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	118.4	176	-70.7	110.7	0	0	0	112.6	A326 Q327 P328 R590 W592 R595 G596 Q598	W277-A326 PolarHBondContact N-O 3.42Å; W277-A326 VanDerWaalsContact N-O 3.15Å; W277-Q327 PolarHBondContact NE1-O 3.02Å; W277-P328 HydrophobicContact CD2-CB 4.12Å; W277-P328 HydrophobicContact CE3-CB 4.41Å; W277-P328 HydrophobicContact CH2-CB 4.09Å; W277-P328 HydrophobicContact CZ2-CB 3.79Å; W277-P328 HydrophobicContact CZ3-CB 4.39Å; W277-R590 HydrophobicContact CZ2-CB 4.34Å; W277-W592 HydrophobicContact CB-CE3 3.72Å; W277-W592 HydrophobicContact CB-CZ3 3.96Å; W277-W592 HydrophobicContact CD2-CB 4.11Å; W277-W592 HydrophobicContact CD2-CE3 4.07Å; W277-W592 HydrophobicContact CE3-CB 3.67Å; W277-W592 AromaticContact CG-CE3 3.72Å; W277-W592 HydrophobicContact CG-CE3 3.72Å; W277-W592 HydrophobicContact CG-CZ3 4.25Å; W277-W592 HydrophobicContact CH2-CB 4.23Å; W277-W592 HydrophobicContact CZ3-CB 3.74Å; W277-R595 PolarHBondContact O-NH2 2.92Å; W277-G596 CarbonylContact C-O 3.6Å; W277-Q598 HydrophobicContact CH2-CB 4.04Å; W277-Q598 HydrophobicContact CH2-CG 4.31Å; W277-Q598 HydrophobicContact CZ3-CB 3.89Å
278	G	96.3	Very high	98.2	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	16.3	-176.2	0	0	0	0	0	115.2	H276 R595 G596	H276-G278 PolarHBondContact O-N 3.01Å; G278-R595 WeakPolarHBondContact CA-O 3.43Å; G278-G596 PolarHBondContact N-O 3Å
279	Q	97.1	Very high	98.2	Very high	107 Å²	107	49 Å²	49	50%	0.5	25%	0.254	S	S	.	.	S	Bend	trans	-111.7	159.4	166.8	-62.9	-58.6	-23.7	0	0	110.5	H276 P597	H276-Q279 HydrophobicContact CB-CB 4.41Å; H276-Q279 HydrophobicContact CB-CG 4.01Å; H276-Q279 PolarHBondContact O-N 3.18Å; Q279-P597 WeakPolarHBondContact O-CB 3.38Å; Q279-P597 WeakPolarHBondContact O-CD 3.37Å; Q279-P597 VanDerWaalsContact O-CG 3.24Å; Q279-P597 WeakPolarHBondContact O-CG 3.46Å
280	P	98	Very high	98.2	Very high	101 Å²	101	49.8 Å²	49.8	66%	0.656	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-59.5	147.5	169.9	-21.1	33.6	0	0	0	111.4	S282	P280-S282 PolarHBondContact O-N 3.22Å
281	H	98.4	Very high	98.2	Very high	37 Å²	37	51.7 Å²	51.7	17%	0.171	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.9	127.7	172.8	172.2	61.4	0	0	0	111	D275 P597	D275-H281 WeakPolarHBondContact OD1-CA 3.33Å; D275-H281 IonicContact OD1-ND1 3.39Å; D275-H281 PolarHBondContact OD1-ND1 3.38Å; D275-H281 IonicContact OD2-CE1 3.48Å; D275-H281 IonicContact OD2-CG 2.71Å; D275-H281 IonicContact OD2-ND1 3.54Å; D275-H281 PolarHBondContact OD2-ND1 3.29Å; H281-P597 HydrophobicContact CB-CB 4.06Å; H281-P597 HydrophobicContact CB-CG 4.15Å
282	S	98.1	Very high	98.2	Very high	31 Å²	31	52.3 Å²	52.3	22%	0.217	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-70.4	126.7	179.6	-75.3	0	0	0	0	111.5	L274 D275 P280	L274-S282 WeakPolarHBondContact O-CB 3.37Å; L274-S282 PolarHBondContact O-OG 3.32Å; D275-S282 WeakPolarHBondContact OD1-CB 3.25Å; D275-S282 PolarHBondContact OD1-N 3.17Å; P280-S282 PolarHBondContact O-N 3.22Å
283	T	98	Very high	98.2	Very high	98 Å²	98	52.3 Å²	52.3	60%	0.601	28%	0.282	S	S	*	.			trans	-135.3	144.6	174.2	54.2	0	0	0	0	111.3	D334	T283-D334 WeakPolarHBondContact CA-OD2 3.3Å; T283-D334 WeakPolarHBondContact CB-OD2 3.35Å; T283-D334 HydrophobicContact CG2-CB 4.22Å
284	I	97.9	Very high	98.2	Very high	41 Å²	41	51.4 Å²	51.4	21%	0.21	28%	0.279	C	S	.	.			trans	-126.2	124.6	174	-59.4	-174.9	0	0	0	109	P244 G272 T286 V289 D334 K346	P244-I284 HydrophobicContact CB-CG2 4.46Å; P244-I284 HydrophobicContact CG-CD1 4.05Å; P244-I284 HydrophobicContact CG-CG2 3.69Å; G272-I284 VanDerWaalsContact O-CD1 3.3Å; G272-I284 WeakPolarHBondContact O-CD1 3.46Å; I284-T286 PolarHBondContact O-N 2.77Å; I284-V289 HydrophobicContact CB-CG2 4.36Å; I284-V289 HydrophobicContact CG2-CG2 3.66Å; I284-D334 PolarHBondContact N-OD2 2.92Å; I284-K346 VanDerWaalsContact O-CE 3.28Å; I284-K346 WeakPolarHBondContact O-CE 3.29Å; I284-K346 PolarHBondContact O-NZ 3.28Å
285	K	98.5	Very high	98.3	Very high	155 Å²	155	53.9 Å²	53.9	67%	0.674	29%	0.292	S	S	*	.			trans	-57.4	129.6	-176.6	-66.2	-174.6	-179.9	-175.9	0	112.7	E287 V288 V289	K285-E287 PolarHBondContact O-N 2.92Å; K285-E287 VanDerWaalsContact O-N 3.14Å; K285-V288 HydrophobicContact CB-CG2 4.03Å; K285-V288 PolarHBondContact O-N 3Å; K285-V289 PolarHBondContact O-N 2.98Å
286	T	98.7	Very high	98.3	Very high	26 Å²	26	53.2 Å²	53.2	16%	0.16	29%	0.288	C	S	.	.	H	α-helix	trans	-46.9	-42.5	178.6	-65	0	0	0	0	113.5	I284 V288 V289 A290 K346 A349	I284-T286 PolarHBondContact O-N 2.77Å; T286-V288 VanDerWaalsContact C-N 3.32Å; T286-V288 PolarHBondContact O-N 3.23Å; T286-V289 PolarHBondContact O-N 3.25Å; T286-A290 VanDerWaalsContact O-CB 3.23Å; T286-A290 WeakPolarHBondContact O-CB 3.43Å; T286-A290 PolarHBondContact O-N 3.46Å; T286-K346 HydrophobicContact CG2-CB 4.32Å; T286-K346 HydrophobicContact CG2-CG 4.43Å; T286-A349 HydrophobicContact CG2-CB 3.34Å
287	E	98.3	Very high	98.3	Very high	126 Å²	126	51.5 Å²	51.5	59%	0.589	28%	0.28	S	S	*	.	H	α-helix	trans	-65.5	-36.3	-176.9	-57.4	68.9	-145.3	0	0	111.9	K285 S291	K285-E287 PolarHBondContact O-N 2.92Å; K285-E287 VanDerWaalsContact O-N 3.14Å; E287-S291 VanDerWaalsContact O-CB 3.32Å; E287-S291 WeakPolarHBondContact O-CB 3.38Å; E287-S291 PolarHBondContact O-N 3.23Å
288	V	98.2	Very high	98.3	Very high	62 Å²	62	53.8 Å²	53.8	38%	0.376	30%	0.302	S	S	.	.	H	α-helix	trans	-73.3	-43.7	-178.7	-167.4	0	0	0	0	109.7	P244 K285 T286 A290 S291 S292	P244-V288 HydrophobicContact CB-CB 4.48Å; P244-V288 HydrophobicContact CB-CG1 3.77Å; K285-V288 HydrophobicContact CB-CG2 4.03Å; K285-V288 PolarHBondContact O-N 3Å; T286-V288 VanDerWaalsContact C-N 3.32Å; T286-V288 PolarHBondContact O-N 3.23Å; V288-A290 VanDerWaalsContact C-N 3.35Å; V288-A290 PolarHBondContact O-N 2.95Å; V288-S291 PolarHBondContact O-N 3.33Å; V288-S292 WeakPolarHBondContact O-CB 3.43Å; V288-S292 PolarHBondContact O-N 3.08Å; V288-S292 PolarHBondContact O-OG 3.24Å
289	V	98.8	Very high	98.4	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-45.9	173.8	-170.3	0	0	0	0	110.5	P244 F269 T271 I284 K285 T286 L293 L350	P244-V289 HydrophobicContact CG-CG2 4.38Å; F269-V289 HydrophobicContact CE1-CG1 3.62Å; F269-V289 HydrophobicContact CZ-CG1 3.95Å; F269-V289 WeakPolarHBondContact CZ-O 3.48Å; T271-V289 HydrophobicContact CG2-CG1 4.28Å; T271-V289 WeakPolarHBondContact O-CG2 3.41Å; I284-V289 HydrophobicContact CB-CG2 4.36Å; I284-V289 HydrophobicContact CG2-CG2 3.66Å; K285-V289 PolarHBondContact O-N 2.98Å; T286-V289 PolarHBondContact O-N 3.25Å; V289-L293 VanDerWaalsContact O-CB 3.27Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 3.11Å; V289-L350 HydrophobicContact CB-CD2 4.25Å; V289-L350 HydrophobicContact CG1-CD1 4.02Å; V289-L350 HydrophobicContact CG1-CD2 3.81Å
290	A	98.8	Very high	98.4	Very high	15 Å²	15	55 Å²	55	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-40.2	-179.4	0	0	0	0	0	113.3	T286 V288 Y294 L350 V353	T286-A290 VanDerWaalsContact O-CB 3.23Å; T286-A290 WeakPolarHBondContact O-CB 3.43Å; T286-A290 PolarHBondContact O-N 3.46Å; V288-A290 VanDerWaalsContact C-N 3.35Å; V288-A290 PolarHBondContact O-N 2.95Å; A290-Y294 PolarHBondContact O-N 3.09Å; A290-L350 HydrophobicContact CB-CD2 3.97Å; A290-V353 HydrophobicContact CB-CG2 3.96Å
291	S	98.3	Very high	98.4	Very high	65 Å²	65	50.1 Å²	50.1	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-49.3	176.1	-164.8	0	0	0	0	111.2	E287 V288 L293 Y294 D295	E287-S291 VanDerWaalsContact O-CB 3.32Å; E287-S291 WeakPolarHBondContact O-CB 3.38Å; E287-S291 PolarHBondContact O-N 3.23Å; V288-S291 PolarHBondContact O-N 3.33Å; S291-L293 VanDerWaalsContact C-N 3.33Å; S291-L293 PolarHBondContact O-N 2.67Å; S291-Y294 WeakPolarHBondContact O-CB 3.22Å; S291-Y294 PolarHBondContact O-N 3.37Å; S291-Y294 VanDerWaalsContact O-N 3.14Å; S291-D295 PolarHBondContact O-N 3.49Å
292	S	98.6	Very high	98.5	Very high	13 Å²	13	48.5 Å²	48.5	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-38.2	179.1	-61.3	0	0	0	0	112.1	V288 Y294 D295 I296	V288-S292 WeakPolarHBondContact O-CB 3.43Å; V288-S292 PolarHBondContact O-N 3.08Å; V288-S292 PolarHBondContact O-OG 3.24Å; S292-Y294 PolarHBondContact O-N 3.25Å; S292-D295 PolarHBondContact O-N 2.75Å; S292-I296 WeakPolarHBondContact O-CD1 3.4Å; S292-I296 VanDerWaalsContact O-CG1 3.22Å; S292-I296 WeakPolarHBondContact O-CG1 3.25Å; S292-I296 PolarHBondContact O-N 3.28Å
293	L	98.8	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-44.2	172.5	179.3	64.4	0	0	0	111.9	F269 V289 S291 D295 I296 L297 V303 L305 L350 V353 I354	F269-L293 HydrophobicContact CE1-CB 4.04Å; V289-L293 VanDerWaalsContact O-CB 3.27Å; V289-L293 WeakPolarHBondContact O-CB 3.34Å; V289-L293 PolarHBondContact O-N 3.11Å; S291-L293 VanDerWaalsContact C-N 3.33Å; S291-L293 PolarHBondContact O-N 2.67Å; L293-D295 VanDerWaalsContact C-N 3.35Å; L293-D295 PolarHBondContact O-N 3.49Å; L293-I296 PolarHBondContact O-N 2.76Å; L293-L297 HydrophobicContact CD1-CD1 3.94Å; L293-L297 HydrophobicContact CD1-CG 4.08Å; L293-L297 HydrophobicContact CG-CD1 3.93Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CB 3.38Å; L293-L297 VanDerWaalsContact O-CG 3.29Å; L293-L297 WeakPolarHBondContact O-CG 3.22Å; L293-L297 PolarHBondContact O-N 2.98Å; L293-V303 HydrophobicContact CD1-CG1 3.83Å; L293-V303 HydrophobicContact CD1-CG2 4.46Å; L293-L305 HydrophobicContact CD1-CD1 4.21Å; L293-L305 HydrophobicContact CD2-CD2 4.3Å; L293-L350 HydrophobicContact CB-CD2 4.49Å; L293-L350 HydrophobicContact CD2-CB 4.14Å; L293-L350 HydrophobicContact CD2-CD2 3.82Å; L293-L350 HydrophobicContact CD2-CG 4.46Å; L293-V353 HydrophobicContact CB-CG1 4.36Å; L293-V353 HydrophobicContact CD2-CB 4.2Å; L293-V353 HydrophobicContact CD2-CG1 3.97Å; L293-V353 HydrophobicContact CG-CG1 3.96Å; L293-I354 HydrophobicContact CD2-CG1 4.34Å
294	Y	98.8	Very high	98.5	Very high	97 Å²	97	42.4 Å²	42.4	38%	0.38	23%	0.229	S	C	.	.	H	α-helix	trans	-59.7	-45.9	176.9	176.7	-90.7	0	0	0	111.3	A290 S291 S292 I296 L297 A298 V353 K356 F357	A290-Y294 PolarHBondContact O-N 3.09Å; S291-Y294 WeakPolarHBondContact O-CB 3.22Å; S291-Y294 PolarHBondContact O-N 3.37Å; S291-Y294 VanDerWaalsContact O-N 3.14Å; S292-Y294 PolarHBondContact O-N 3.25Å; Y294-I296 PolarHBondContact O-N 2.92Å; Y294-L297 PolarHBondContact O-N 3.24Å; Y294-A298 HydrophobicContact CE1-CB 4.45Å; Y294-A298 WeakPolarHBondContact O-CB 3.17Å; Y294-A298 PolarHBondContact O-N 3.45Å; Y294-V353 HydrophobicContact CD2-CG1 4.45Å; Y294-K356 HydrophobicContact CD2-CD 3.96Å; Y294-K356 HydrophobicContact CE2-CD 3.87Å; Y294-F357 AromaticContact CD2-CE2 3.6Å; Y294-F357 HydrophobicContact CD2-CE2 3.6Å; Y294-F357 AromaticContact CD2-CZ 3.56Å; Y294-F357 HydrophobicContact CD2-CZ 3.56Å; Y294-F357 HydrophobicContact CE2-CE2 4.02Å; Y294-F357 AromaticContact CE2-CZ 3.63Å; Y294-F357 HydrophobicContact CE2-CZ 3.63Å; Y294-F357 HydrophobicContact CG-CE2 4.37Å; Y294-F357 HydrophobicContact CG-CZ 4.23Å
295	D	98.6	Very high	98.6	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	22%	0.219	S	C	.	.	H	α-helix	trans	-68	-34.5	-178.8	-68.7	-28.7	0	0	0	113.1	I248 S291 S292 L293 R299	I248-D295 HydrophobicContact CD1-CB 3.57Å; S291-D295 PolarHBondContact O-N 3.49Å; S292-D295 PolarHBondContact O-N 2.75Å; L293-D295 VanDerWaalsContact C-N 3.35Å; L293-D295 PolarHBondContact O-N 3.49Å; D295-R299 WeakPolarHBondContact O-CD 3.24Å; D295-R299 WeakPolarHBondContact O-CG 3.3Å; D295-R299 PolarHBondContact O-N 2.98Å
296	I	98.8	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-50.1	172.4	-68	164.1	0	0	0	110.1	F242 I248 F252 F269 S292 L293 Y294 A298 R299 A301 V303	F242-I296 HydrophobicContact CE2-CD1 3.92Å; F242-I296 HydrophobicContact CE2-CG1 4.28Å; F242-I296 HydrophobicContact CZ-CD1 4.3Å; F242-I296 HydrophobicContact CZ-CG1 4.39Å; I248-I296 HydrophobicContact CD1-CG1 4.22Å; I248-I296 HydrophobicContact CG1-CG1 4.5Å; I248-I296 HydrophobicContact CG2-CG1 3.95Å; F252-I296 HydrophobicContact CE2-CG1 4.35Å; F252-I296 HydrophobicContact CE2-CG2 4.32Å; F252-I296 HydrophobicContact CZ-CG2 4.11Å; F269-I296 HydrophobicContact CD2-CD1 3.74Å; F269-I296 HydrophobicContact CE2-CD1 4.06Å; F269-I296 HydrophobicContact CG-CD1 4.06Å; S292-I296 WeakPolarHBondContact O-CD1 3.4Å; S292-I296 VanDerWaalsContact O-CG1 3.22Å; S292-I296 WeakPolarHBondContact O-CG1 3.25Å; S292-I296 PolarHBondContact O-N 3.28Å; L293-I296 PolarHBondContact O-N 2.76Å; Y294-I296 PolarHBondContact O-N 2.92Å; I296-A298 PolarHBondContact O-N 3.35Å; I296-R299 WeakPolarHBondContact O-CB 3.38Å; I296-R299 PolarHBondContact O-N 3.48Å; I296-A301 HydrophobicContact CG2-CB 3.9Å; I296-A301 PolarHBondContact O-N 3.49Å; I296-V303 HydrophobicContact CD1-CG2 4.42Å; I296-V303 HydrophobicContact CG2-CB 3.81Å; I296-V303 HydrophobicContact CG2-CG1 4.38Å; I296-V303 HydrophobicContact CG2-CG2 4.06Å
297	L	98.7	Very high	98.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-34.2	-178.8	-69	176.7	0	0	0	112.9	R49 I51 L293 Y294 R299 G300 V303 V353 F357	R49-L297 PolarHBondContact NH1-O 2.85Å; I51-L297 HydrophobicContact CD1-CD1 4.01Å; I51-L297 HydrophobicContact CD1-CD2 3.66Å; I51-L297 HydrophobicContact CG1-CD2 3.75Å; L293-L297 HydrophobicContact CD1-CD1 3.94Å; L293-L297 HydrophobicContact CD1-CG 4.08Å; L293-L297 HydrophobicContact CG-CD1 3.93Å; L293-L297 HydrophobicContact CG-CG 4.42Å; L293-L297 WeakPolarHBondContact O-CB 3.38Å; L293-L297 VanDerWaalsContact O-CG 3.29Å; L293-L297 WeakPolarHBondContact O-CG 3.22Å; L293-L297 PolarHBondContact O-N 2.98Å; Y294-L297 PolarHBondContact O-N 3.24Å; L297-R299 PolarHBondContact O-N 2.93Å; L297-G300 PolarHBondContact O-N 3.29Å; L297-V303 HydrophobicContact CD2-CG1 3.72Å; L297-V303 HydrophobicContact CG-CG1 4.38Å; L297-V353 HydrophobicContact CD1-CG1 4.34Å; L297-F357 HydrophobicContact CB-CD1 4.2Å; L297-F357 HydrophobicContact CB-CD2 3.72Å; L297-F357 HydrophobicContact CB-CE1 4.04Å; L297-F357 HydrophobicContact CB-CE2 3.54Å; L297-F357 HydrophobicContact CB-CG 4.04Å; L297-F357 HydrophobicContact CB-CZ 3.7Å; L297-F357 HydrophobicContact CD1-CD2 3.61Å; L297-F357 HydrophobicContact CD1-CE2 3.9Å; L297-F357 HydrophobicContact CD1-CG 4.36Å; L297-F357 HydrophobicContact CG-CD2 4.32Å; L297-F357 HydrophobicContact CG-CE2 4.38Å
298	A	98.4	Very high	98.7	Very high	60 Å²	60	26 Å²	26	50%	0.496	15%	0.153	S	C	.	.	H	α-helix	trans	-65	-25	175.6	0	0	0	0	0	113.2	Y294 I296 G300 F357	Y294-A298 HydrophobicContact CE1-CB 4.45Å; Y294-A298 WeakPolarHBondContact O-CB 3.17Å; Y294-A298 PolarHBondContact O-N 3.45Å; I296-A298 PolarHBondContact O-N 3.35Å; A298-G300 PolarHBondContact O-N 3.22Å; A298-F357 HydrophobicContact CB-CE1 4.22Å; A298-F357 HydrophobicContact CB-CZ 4.16Å
299	R	98.2	Very high	98.7	Very high	116 Å²	116	23.1 Å²	23.1	44%	0.438	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.1	171.9	-68.2	165.9	-177	-100.8	-0.8	113.4	T249 D295 I296 L297 A301	T249-R299 PolarHBondContact OG1-NH2 2.62Å; D295-R299 WeakPolarHBondContact O-CD 3.24Å; D295-R299 WeakPolarHBondContact O-CG 3.3Å; D295-R299 PolarHBondContact O-N 2.98Å; I296-R299 WeakPolarHBondContact O-CB 3.38Å; I296-R299 PolarHBondContact O-N 3.48Å; L297-R299 PolarHBondContact O-N 2.93Å; R299-A301 PolarHBondContact O-N 2.88Å
300	G	97.9	Very high	98.7	Very high	43 Å²	43	23.1 Å²	23.1	44%	0.443	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.6	-174.3	0	0	0	0	0	114.2	L297 A298	L297-G300 PolarHBondContact O-N 3.29Å; A298-G300 PolarHBondContact O-N 3.22Å
301	A	98.8	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.			trans	-64.5	145.1	178.6	0	0	0	0	0	111.2	R49 F252 L264 I296 R299	R49-A301 VanDerWaalsContact CD-O 3.25Å; R49-A301 WeakPolarHBondContact CD-O 3.47Å; F252-A301 HydrophobicContact CE1-CB 4.26Å; F252-A301 HydrophobicContact CE2-CB 3.94Å; F252-A301 HydrophobicContact CZ-CB 3.58Å; L264-A301 HydrophobicContact CB-CB 3.63Å; L264-A301 CarbonylContact O-C 3.51Å; L264-A301 VanDerWaalsContact O-CA 3.31Å; L264-A301 WeakPolarHBondContact O-CA 3.06Å; I296-A301 HydrophobicContact CG2-CB 3.9Å; I296-A301 PolarHBondContact O-N 3.49Å; R299-A301 PolarHBondContact O-N 2.88Å
302	S	98.9	Very high	98.7	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	145.7	164.4	-57.1	0	0	0	0	108.8	R49 Y50 L264 I265 N266	R49-S302 WeakPolarHBondContact CG-OG 3.44Å; Y50-S302 PolarHBondContact N-OG 3.04Å; Y50-S302 WeakPolarHBondContact O-CA 3.42Å; L264-S302 PolarHBondContact O-N 3.09Å; I265-S302 WeakPolarHBondContact CA-O 3.18Å; N266-S302 PolarHBondContact N-O 2.96Å; N266-S302 VanDerWaalsContact N-O 3.12Å
303	V	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	140.5	-174.7	62.7	0	0	0	0	110.8	Y50 I51 S52 N266 F269 L293 I296 L297	Y50-V303 PolarHBondContact O-N 2.94Å; I51-V303 HydrophobicContact CG2-CG1 4.22Å; S52-V303 PolarHBondContact N-O 3.3Å; N266-V303 HydrophobicContact CB-CG2 4.39Å; N266-V303 CarbonylContact O-C 3.55Å; N266-V303 WeakPolarHBondContact O-CA 3.23Å; F269-V303 HydrophobicContact CB-CG2 3.69Å; F269-V303 HydrophobicContact CD1-CG2 4.42Å; F269-V303 HydrophobicContact CG-CG2 4.26Å; L293-V303 HydrophobicContact CD1-CG1 3.83Å; L293-V303 HydrophobicContact CD1-CG2 4.46Å; I296-V303 HydrophobicContact CD1-CG2 4.42Å; I296-V303 HydrophobicContact CG2-CB 3.81Å; I296-V303 HydrophobicContact CG2-CG1 4.38Å; I296-V303 HydrophobicContact CG2-CG2 4.06Å; L297-V303 HydrophobicContact CD2-CG1 3.72Å; L297-V303 HydrophobicContact CG-CG1 4.38Å
304	N	98.9	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124	167.5	172.9	71.6	0	0	0	110.4	S52 G53 S54 Q81 N266 S267 F269	S52-N304 WeakPolarHBondContact CB-OD1 3.28Å; S52-N304 WeakPolarHBondContact O-CA 3.45Å; S52-N304 PolarHBondContact OG-OD1 2.98Å; G53-N304 PolarHBondContact N-OD1 3.5Å; S54-N304 PolarHBondContact N-OD1 3.17Å; S54-N304 PolarHBondContact OG-ND2 3.44Å; S54-N304 PolarHBondContact OG-OD1 2.84Å; Q81-N304 WeakPolarHBondContact CB-OD1 3.29Å; Q81-N304 PolarHBondContact NE2-ND2 3.44Å; N266-N304 PolarHBondContact O-N 3.42Å; S267-N304 WeakPolarHBondContact O-CB 3.17Å; S267-N304 PolarHBondContact O-ND2 2.66Å; F269-N304 WeakPolarHBondContact CB-O 3.48Å; F269-N304 PolarHBondContact N-O 2.94Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120	176.5	-67.4	91	0	0	0	110	I51 S52 S54 L77 F269 T271 L293 F308 L350	I51-L305 HydrophobicContact CG2-CD1 4.36Å; S52-L305 WeakPolarHBondContact O-CD1 3.28Å; S52-L305 PolarHBondContact O-N 3.17Å; S54-L305 WeakPolarHBondContact CB-O 3.39Å; S54-L305 PolarHBondContact N-O 3.19Å; S54-L305 PolarHBondContact OG-O 2.72Å; L77-L305 HydrophobicContact CD2-CD1 4.25Å; F269-L305 HydrophobicContact CD1-CG 4.22Å; T271-L305 HydrophobicContact CG2-CB 3.85Å; T271-L305 HydrophobicContact CG2-CD2 3.96Å; T271-L305 HydrophobicContact CG2-CG 4.37Å; L293-L305 HydrophobicContact CD1-CD1 4.21Å; L293-L305 HydrophobicContact CD2-CD2 4.3Å; L305-F308 HydrophobicContact CB-CD2 4.45Å; L305-F308 PolarHBondContact O-N 3.34Å; L305-L350 HydrophobicContact CD2-CD1 3.66Å
306	Y	98.9	Very high	98.8	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.016	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.1	179.6	-170.7	-82.8	0	0	0	109.5	S54 H56 Y83 E268 F269 Y270 T271 Y331 Y333	S54-Y306 WeakPolarHBondContact OG-CD2 3.25Å; H56-Y306 AromaticContact CE1-CE2 3.82Å; H56-Y306 AromaticContact NE2-CE2 3.93Å; Y83-Y306 AromaticContact CE2-CE2 3.96Å; Y83-Y306 HydrophobicContact CE2-CE2 3.96Å; E268-Y306 HydrophobicContact CB-CG 4.18Å; E268-Y306 HydrophobicContact CG-CD2 4.03Å; E268-Y306 HydrophobicContact CG-CG 4.14Å; F269-Y306 PolarHBondContact O-N 2.69Å; Y270-Y306 CarbonylContact C-O 3.55Å; Y270-Y306 VanDerWaalsContact CA-O 3.23Å; Y270-Y306 WeakPolarHBondContact CA-O 3.4Å; Y270-Y306 HydrophobicContact CD1-CD1 4.04Å; Y270-Y306 HydrophobicContact CE1-CD1 4.16Å; T271-Y306 PolarHBondContact N-O 2.86Å; T271-Y306 PolarHBondContact OG1-O 2.77Å; Y306-Y331 PolarHBondContact OH-OH 3.31Å; Y306-Y333 HydrophobicContact CD1-CE1 4.32Å; Y306-Y333 HydrophobicContact CD1-CE2 4.36Å; Y306-Y333 AromaticContact CD1-CZ 3.82Å; Y306-Y333 HydrophobicContact CE1-CE2 4.06Å; Y306-Y333 AromaticContact CE1-CZ 3.99Å; Y306-Y333 WeakPolarHBondContact O-CE1 3.37Å
307	M	98.8	Very high	98.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-88.6	147.6	-13.2	-67.1	-58.3	-62.8	0	0	111.4	H56 T271 I309 Y331 Y333 A335 P336	H56-M307 VanDerWaalsContact CE1-CE 3.47Å; H56-M307 WeakPolarHBondContact CE1-CE 3.49Å; H56-M307 VanDerWaalsContact CE1-SD 3.51Å; T271-M307 PolarHBondContact OG1-N 2.94Å; T271-M307 PolarHBondContact OG1-O 3.4Å; M307-I309 WeakPolarHBondContact CE-O 3.31Å; M307-Y331 HydrophobicContact CE-CE1 4.48Å; M307-Y331 HydrophobicContact CG-CD1 4.39Å; M307-Y331 HydrophobicContact CG-CE1 3.58Å; M307-Y331 HydrophobicContact SD-CE1 4.02Å; M307-Y333 HydrophobicContact CB-CD1 3.93Å; M307-Y333 HydrophobicContact CB-CE1 4.49Å; M307-Y333 HydrophobicContact CB-CG 4.16Å; M307-Y333 HydrophobicContact CG-CD1 4.05Å; M307-Y333 HydrophobicContact CG-CD2 4.18Å; M307-Y333 HydrophobicContact CG-CE1 4.42Å; M307-Y333 HydrophobicContact CG-CG 3.95Å; M307-Y333 VanDerWaalsContact N-CE1 3.35Å; M307-A335 HydrophobicContact CB-CB 4.19Å; M307-A335 WeakPolarHBondContact O-CB 3.33Å; M307-P336 WeakPolarHBondContact O-CD 3.43Å
308	F	98.9	Very high	98.8	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-37.3	165.8	-165.4	-82.3	0	0	0	111.5	S54 M72 A75 L77 L305 P336 L337 Y347	S54-F308 PolarHBondContact O-N 3.4Å; M72-F308 HydrophobicContact CB-CD1 4.45Å; M72-F308 HydrophobicContact CB-CE1 4.4Å; M72-F308 HydrophobicContact CE-CB 4.07Å; M72-F308 HydrophobicContact CE-CD1 4.34Å; M72-F308 HydrophobicContact CE-CG 4.35Å; M72-F308 HydrophobicContact CG-CD1 3.46Å; M72-F308 VanDerWaalsContact CG-CD1 3.46Å; M72-F308 HydrophobicContact CG-CE1 3.76Å; M72-F308 HydrophobicContact CG-CG 4.29Å; M72-F308 HydrophobicContact SD-CD1 4.48Å; A75-F308 HydrophobicContact CB-CE1 4.42Å; A75-F308 HydrophobicContact CB-CE2 4.16Å; A75-F308 HydrophobicContact CB-CZ 3.52Å; L77-F308 HydrophobicContact CD1-CD1 4.33Å; L77-F308 HydrophobicContact CD1-CD2 3.66Å; L77-F308 HydrophobicContact CD1-CE1 4.44Å; L77-F308 HydrophobicContact CD1-CE2 3.8Å; L77-F308 HydrophobicContact CD1-CG 3.93Å; L77-F308 HydrophobicContact CD1-CZ 4.2Å; L77-F308 HydrophobicContact CG-CE2 4.33Å; L305-F308 HydrophobicContact CB-CD2 4.45Å; L305-F308 PolarHBondContact O-N 3.34Å; F308-P336 HydrophobicContact CD2-CB 4.28Å; F308-P336 HydrophobicContact CD2-CG 4.14Å; F308-P336 HydrophobicContact CE1-CB 4.45Å; F308-P336 HydrophobicContact CE2-CB 4.07Å; F308-P336 HydrophobicContact CE2-CG 4.3Å; F308-P336 HydrophobicContact CZ-CB 4.16Å; F308-P336 WeakPolarHBondContact O-CD 3.21Å; F308-L337 HydrophobicContact CD1-CD1 4.03Å; F308-L337 HydrophobicContact CD1-CG 4.14Å; F308-L337 HydrophobicContact CE1-CD1 3.84Å; F308-L337 HydrophobicContact CE1-CG 3.82Å; F308-L337 PolarHBondContact O-N 3.29Å; F308-Y347 AromaticContact CE1-CD2 4Å; F308-Y347 HydrophobicContact CE1-CD2 4Å; F308-Y347 HydrophobicContact CE1-CE2 4.17Å; F308-Y347 AromaticContact CZ-CD2 3.76Å; F308-Y347 HydrophobicContact CZ-CD2 3.76Å; F308-Y347 HydrophobicContact CZ-CE2 4Å
309	I	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	125.7	160.1	-171.5	174	0	0	0	107.6	S54 I55 I60 R68 M307 L337	S54-I309 PolarHBondContact O-N 3.49Å; I55-I309 HydrophobicContact CB-CG2 3.81Å; I55-I309 HydrophobicContact CD1-CG2 3.79Å; I55-I309 HydrophobicContact CG1-CG2 3.63Å; I60-I309 HydrophobicContact CD1-CD1 3.74Å; I60-I309 HydrophobicContact CD1-CG1 4.14Å; R68-I309 HydrophobicContact CB-CD1 4.2Å; R68-I309 HydrophobicContact CG-CD1 3.81Å; M307-I309 WeakPolarHBondContact CE-O 3.31Å; I309-L337 HydrophobicContact CB-CB 3.86Å; I309-L337 HydrophobicContact CB-CD1 4.2Å; I309-L337 HydrophobicContact CD1-CB 4.07Å; I309-L337 HydrophobicContact CD1-CD1 4.36Å; I309-L337 HydrophobicContact CG1-CB 3.9Å
310	G	98.9	Very high	98.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.045	C	C	.	.			trans	-85.5	-50.9	179	0	0	0	0	0	112.9	R59 Y331	R59-G310 VanDerWaalsContact CB-O 3.31Å; R59-G310 WeakPolarHBondContact CB-O 3.25Å; R59-G310 WeakPolarHBondContact CD-O 3.47Å; G310-Y331 CarbonylContact C-O 3.41Å; G310-Y331 WeakPolarHBondContact CA-O 3.47Å
311	G	98.8	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.			trans	89.6	-142.3	177.1	0	0	0	0	0	113.6	Y331	G311-Y331 PolarHBondContact N-O 3.08Å; G311-Y331 CarbonylContact O-C 3.55Å; G311-Y331 VanDerWaalsContact O-CA 3.25Å; G311-Y331 WeakPolarHBondContact O-CA 3.13Å; G311-Y331 WeakPolarHBondContact O-CB 3.27Å; G311-Y331 PolarHBondContact O-N 2.96Å
312	T	98.9	Very high	98.8	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.012	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-129.4	135.4	-173.6	-48.9	0	0	0	0	111.9	R59 F314 T329 E339	R59-T312 WeakPolarHBondContact CA-O 3.39Å; R59-T312 PolarHBondContact O-N 3.31Å; T312-F314 VanDerWaalsContact C-N 3.28Å; T312-F314 HydrophobicContact CG2-CD1 3.66Å; T312-F314 HydrophobicContact CG2-CD2 4.39Å; T312-F314 HydrophobicContact CG2-CE1 3.59Å; T312-F314 HydrophobicContact CG2-CE2 4.33Å; T312-F314 HydrophobicContact CG2-CG 4.08Å; T312-F314 HydrophobicContact CG2-CZ 3.95Å; T312-F314 PolarHBondContact O-N 3.27Å; T312-F314 VanDerWaalsContact O-N 3.12Å; T312-T329 HydrophobicContact CG2-CG2 3.96Å; T312-T329 WeakPolarHBondContact CG2-O 3.46Å; T312-E339 WeakPolarHBondContact CB-OE1 3.48Å; T312-E339 WeakPolarHBondContact CG2-OE1 3.4Å; T312-E339 WeakPolarHBondContact OG1-CG 3.38Å; T312-E339 PolarHBondContact OG1-OE1 3.33Å
313	N	98.9	Very high	98.7	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	8%	0.081	C	C	.	.			trans	-79.4	71.3	165.5	-66.9	-43.6	0	0	0	110.1	R59 N318 P328 T329	R59-N313 PolarHBondContact NE-OD1 3.22Å; R59-N313 PolarHBondContact NH2-OD1 3.39Å; N313-N318 HydrophobicContact CB-CB 3.92Å; N313-P328 PolarHBondContact ND2-O 2.82Å; N313-T329 WeakPolarHBondContact CA-O 3.46Å; N313-T329 WeakPolarHBondContact CB-O 3.47Å; N313-T329 PolarHBondContact N-O 3.17Å
314	F	98.9	Very high	98.7	Very high	16 Å²	16	15 Å²	15	7%	0.07	9%	0.087	C	C	.	.			trans	-57.9	162.6	177.9	-66.8	-63.9	0	0	0	112.7	P61 T312 Y316 W317 F586 L588 F602 P604	P61-F314 HydrophobicContact CG-CE2 3.93Å; P61-F314 HydrophobicContact CG-CZ 4.16Å; T312-F314 VanDerWaalsContact C-N 3.28Å; T312-F314 HydrophobicContact CG2-CD1 3.66Å; T312-F314 HydrophobicContact CG2-CD2 4.39Å; T312-F314 HydrophobicContact CG2-CE1 3.59Å; T312-F314 HydrophobicContact CG2-CE2 4.33Å; T312-F314 HydrophobicContact CG2-CG 4.08Å; T312-F314 HydrophobicContact CG2-CZ 3.95Å; T312-F314 PolarHBondContact O-N 3.27Å; T312-F314 VanDerWaalsContact O-N 3.12Å; F314-Y316 PolarHBondContact O-N 2.87Å; F314-W317 WeakPolarHBondContact O-CB 3.39Å; F314-W317 PolarHBondContact O-N 2.83Å; F314-W317 VanDerWaalsContact O-N 3.11Å; F314-F586 HydrophobicContact CB-CZ 4.47Å; F314-F586 AromaticContact CD1-CE1 3.65Å; F314-F586 HydrophobicContact CD1-CE1 3.65Å; F314-F586 HydrophobicContact CD1-CZ 4.07Å; F314-F586 HydrophobicContact CD2-CZ 4.24Å; F314-F586 AromaticContact CE1-CE1 3.9Å; F314-F586 HydrophobicContact CE1-CE1 3.9Å; F314-F586 HydrophobicContact CE1-CZ 4.35Å; F314-F586 HydrophobicContact CG-CE1 4.04Å; F314-F586 HydrophobicContact CG-CZ 4.01Å; F314-F586 HydrophobicContact CZ-CE1 4.49Å; F314-L588 HydrophobicContact CE1-CD2 4.36Å; F314-F602 HydrophobicContact CZ-CD1 4.25Å; F314-P604 HydrophobicContact CZ-CG 4.31Å
315	A	98.8	Very high	98.6	Very high	20 Å²	20	16.6 Å²	16.6	17%	0.165	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	-108.5	-179.5	0	0	0	0	0	113.9	Q580 N587 G589	A315-Q580 PolarHBondContact O-NE2 2.83Å; A315-N587 HydrophobicContact CB-CB 3.86Å; A315-N587 PolarHBondContact N-O 3.05Å; A315-G589 WeakPolarHBondContact O-CA 3.27Å
316	Y	98.9	Very high	98.6	Very high	12 Å²	12	16.8 Å²	16.8	5%	0.047	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	8.6	-177.3	-58.8	-66.2	0	0	0	113	F314 N318 F415 T516 E517 Q580	F314-Y316 PolarHBondContact O-N 2.87Å; Y316-N318 VanDerWaalsContact C-N 3.29Å; Y316-N318 PolarHBondContact O-N 3.38Å; Y316-N318 PolarHBondContact O-ND2 2.69Å; Y316-F415 HydrophobicContact CE1-CE2 4.23Å; Y316-T516 PolarHBondContact OH-OG1 3.35Å; Y316-E517 WeakPolarHBondContact CE2-OE1 3.45Å; Y316-E517 PolarHBondContact OH-OE1 2.86Å; Y316-Q580 VanDerWaalsContact CE1-CD 3.41Å; Y316-Q580 HydrophobicContact CE1-CG 4.21Å; Y316-Q580 VanDerWaalsContact CE1-OE1 3.27Å
317	W	98.9	Very high	98.6	Very high	35 Å²	35	16.7 Å²	16.7	13%	0.133	10%	0.101	C	C	.	.			trans	-75.1	-5.9	-164.3	-64.9	125.6	0	0	0	116.5	N87 F88 W130 E131 F314 Y413	N87-W317 HydrophobicContact CB-CZ3 4.47Å; F88-W317 AromaticContact CD2-CE2 3.87Å; F88-W317 HydrophobicContact CD2-CH2 4.36Å; F88-W317 AromaticContact CD2-CZ2 3.77Å; F88-W317 HydrophobicContact CD2-CZ2 3.77Å; F88-W317 HydrophobicContact CE2-CZ2 4.47Å; W130-W317 CarbonylContact C-O 3.55Å; W130-W317 WeakPolarHBondContact CA-O 3.22Å; W130-W317 HydrophobicContact CD2-CB 4.16Å; W130-W317 AromaticContact CE2-CE3 3.74Å; W130-W317 HydrophobicContact CE3-CB 4.01Å; W130-W317 HydrophobicContact CH2-CB 3.45Å; W130-W317 VanDerWaalsContact CH2-CB 3.45Å; W130-W317 AromaticContact CH2-CD1 3.81Å; W130-W317 AromaticContact CH2-CD2 3.9Å; W130-W317 HydrophobicContact CH2-CD2 3.9Å; W130-W317 HydrophobicContact CH2-CE3 4.44Å; W130-W317 AromaticContact CH2-CG 3.45Å; W130-W317 HydrophobicContact CH2-CG 3.45Å; W130-W317 VanDerWaalsContact CH2-CG 3.45Å; W130-W317 HydrophobicContact CZ2-CB 3.62Å; W130-W317 AromaticContact CZ2-CD2 3.39Å; W130-W317 HydrophobicContact CZ2-CD2 3.39Å; W130-W317 AromaticContact CZ2-CE3 3.52Å; W130-W317 HydrophobicContact CZ2-CE3 3.52Å; W130-W317 AromaticContact CZ2-CG 3.45Å; W130-W317 HydrophobicContact CZ2-CG 3.45Å; W130-W317 VanDerWaalsContact CZ2-CG 3.45Å; W130-W317 HydrophobicContact CZ2-CZ3 4.31Å; W130-W317 HydrophobicContact CZ3-CB 3.65Å; W130-W317 HydrophobicContact CZ3-CG 4.17Å; W130-W317 AromaticContact NE1-CE3 3.72Å; E131-W317 HydrophobicContact CB-CE3 4.23Å; E131-W317 PolarHBondContact N-O 3.29Å; F314-W317 WeakPolarHBondContact O-CB 3.39Å; F314-W317 PolarHBondContact O-N 2.83Å; F314-W317 VanDerWaalsContact O-N 3.11Å; W317-Y413 HydrophobicContact CH2-CE2 4.09Å; W317-Y413 HydrophobicContact CZ3-CE1 4.49Å; W317-Y413 HydrophobicContact CZ3-CE2 4.21Å; W317-Y413 AromaticContact CZ3-CZ 3.86Å
318	N	98.9	Very high	98.6	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-60	146.6	166.9	86.4	125.6	0	0	0	110.7	N313 Y316 Q327 M480 R590	N313-N318 HydrophobicContact CB-CB 3.92Å; Y316-N318 VanDerWaalsContact C-N 3.29Å; Y316-N318 PolarHBondContact O-N 3.38Å; Y316-N318 PolarHBondContact O-ND2 2.69Å; N318-Q327 PolarHBondContact OD1-O 3Å; N318-M480 PolarHBondContact ND2-O 2.7Å; N318-M480 PolarHBondContact OD1-O 3.34Å; N318-M480 VanDerWaalsContact OD1-O 3.04Å; N318-R590 PolarHBondContact ND2-NE 2.91Å; N318-R590 PolarHBondContact ND2-NH2 3.37Å
319	G	98.9	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.			trans	-105.4	-153.7	166.6	0	0	0	0	0	113.1	E129 A326 Q327 R482 N484	E129-G319 PolarHBondContact O-N 2.79Å; G319-A326 WeakPolarHBondContact O-CA 3.45Å; G319-Q327 PolarHBondContact O-N 3.14Å; G319-Q327 VanDerWaalsContact O-N 3.08Å; G319-Q327 PolarHBondContact O-OE1 2.75Å; G319-R482 CarbonylContact C-O 3.19Å; G319-R482 VanDerWaalsContact CA-O 3.28Å; G319-R482 WeakPolarHBondContact CA-O 3.45Å; G319-N484 VanDerWaalsContact CA-ND2 3.32Å; G319-N484 WeakPolarHBondContact CA-ND2 3.3Å
320	A	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.1	174.1	0	0	0	0	0	112.4	Y324 A325 A326 Q327 R482 V483 N484	A320-Y324 HydrophobicContact CB-CD2 3.96Å; A320-Y324 HydrophobicContact CB-CE2 3.36Å; A320-A325 CarbonylContact C-O 3.57Å; A320-A325 VanDerWaalsContact CA-O 3.23Å; A320-A325 WeakPolarHBondContact CA-O 3.09Å; A320-A325 WeakPolarHBondContact CB-O 3.4Å; A320-A326 HydrophobicContact CB-CB 4.42Å; A320-Q327 VanDerWaalsContact N-OE1 3.14Å; A320-R482 PolarHBondContact N-O 3.02Å; A320-V483 HydrophobicContact CB-CG2 4.27Å; A320-V483 CarbonylContact O-C 3.57Å; A320-V483 VanDerWaalsContact O-CA 3.23Å; A320-V483 WeakPolarHBondContact O-CA 3.46Å; A320-N484 PolarHBondContact N-ND2 3.13Å; A320-N484 VanDerWaalsContact N-ND2 3.19Å; A320-N484 PolarHBondContact O-N 3.32Å; A320-N484 PolarHBondContact O-ND2 2.83Å; A320-N484 PolarHBondContact O-OD1 3.21Å
321	N	98.6	Very high	98.6	Very high	29 Å²	29	17.5 Å²	17.5	16%	0.155	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	172	161.6	-55.8	135.3	0	0	0	111.2	H276 P323 Y324 A325 Q327 N484	H276-N321 PolarHBondContact CE1-OD1 2.73Å; H276-N321 PolarHBondContact NE2-OD1 3.01Å; N321-P323 CarbonylContact O-C 3.57Å; N321-Y324 VanDerWaalsContact O-CA 3.3Å; N321-Y324 WeakPolarHBondContact O-CA 3.39Å; N321-A325 PolarHBondContact N-O 2.77Å; N321-A325 PolarHBondContact O-N 2.83Å; N321-Q327 PolarHBondContact ND2-NE2 3.05Å; N321-Q327 VanDerWaalsContact ND2-NE2 3.16Å; N321-Q327 PolarHBondContact OD1-NE2 3.32Å; N321-N484 PolarHBondContact ND2-OD1 2.93Å
322	S	96.3	Very high	98.6	Very high	57 Å²	57	18.3 Å²	18.3	40%	0.399	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	137.1	176.4	-171.5	0	0	0	0	111
323	P	96.9	Very high	98.6	Very high	105 Å²	105	18.5 Å²	18.5	68%	0.682	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	cis	-58.5	146.5	-2.2	-23.2	34.6	0	0	0	113	N321 A325	N321-P323 CarbonylContact O-C 3.57Å; P323-A325 PolarHBondContact O-N 3.19Å
324	Y	98.7	Very high	98.6	Very high	30 Å²	30	20 Å²	20	12%	0.118	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	112.3	-159.4	-168.5	-98.9	0	0	0	114.4	A320 N321 A326 D441 R457 N458 M480 G481 V483	A320-Y324 HydrophobicContact CB-CD2 3.96Å; A320-Y324 HydrophobicContact CB-CE2 3.36Å; N321-Y324 VanDerWaalsContact O-CA 3.3Å; N321-Y324 WeakPolarHBondContact O-CA 3.39Å; Y324-A326 HydrophobicContact CE1-CB 4.49Å; Y324-D441 HydrophobicContact CD1-CB 4.44Å; Y324-D441 HydrophobicContact CE1-CB 3.72Å; Y324-D441 WeakPolarHBondContact CE2-OD1 3.42Å; Y324-D441 PolarHBondContact OH-OD2 3.44Å; Y324-R457 HydrophobicContact CD1-CB 4.44Å; Y324-R457 HydrophobicContact CG-CG 4.4Å; Y324-N458 VanDerWaalsContact CB-ND2 3.29Å; Y324-N458 WeakPolarHBondContact CB-ND2 3.49Å; Y324-N458 PolarHBondContact N-ND2 2.7Å; Y324-M480 HydrophobicContact CE1-CB 4.29Å; Y324-M480 HydrophobicContact CE1-CE 4.46Å; Y324-M480 WeakPolarHBondContact OH-CB 3.37Å; Y324-G481 VanDerWaalsContact CE2-O 3.29Å; Y324-G481 WeakPolarHBondContact CE2-O 3.18Å; Y324-G481 PolarHBondContact OH-N 3.29Å; Y324-G481 PolarHBondContact OH-O 3.07Å; Y324-V483 HydrophobicContact CD2-CG2 3.96Å; Y324-V483 HydrophobicContact CE2-CG2 4.28Å
325	A	98.6	Very high	98.6	Very high	32 Å²	32	19.3 Å²	19.3	26%	0.264	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	111.8	173.4	0	0	0	0	0	109.3	H276 A320 N321 P323	H276-A325 HydrophobicContact CB-CB 4.32Å; H276-A325 PolarHBondContact CD2-O 2.86Å; A320-A325 CarbonylContact C-O 3.57Å; A320-A325 VanDerWaalsContact CA-O 3.23Å; A320-A325 WeakPolarHBondContact CA-O 3.09Å; A320-A325 WeakPolarHBondContact CB-O 3.4Å; N321-A325 PolarHBondContact N-O 2.77Å; N321-A325 PolarHBondContact O-N 2.83Å; P323-A325 PolarHBondContact O-N 3.19Å
326	A	98.8	Very high	98.6	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.041	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.7	177.2	0	0	0	0	0	111.5	H276 W277 G319 A320 Y324 M480	H276-A326 WeakPolarHBondContact CA-O 3.23Å; W277-A326 PolarHBondContact N-O 3.42Å; W277-A326 VanDerWaalsContact N-O 3.15Å; G319-A326 WeakPolarHBondContact O-CA 3.45Å; A320-A326 HydrophobicContact CB-CB 4.42Å; Y324-A326 HydrophobicContact CE1-CB 4.49Å; A326-M480 HydrophobicContact CB-CB 4.42Å; A326-M480 HydrophobicContact CB-CE 4.3Å
327	Q	98.9	Very high	98.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	11%	0.106	C	C	.	.			trans	-73.8	155.4	171	-72.1	100.6	13.7	0	0	110.8	E129 L274 D275 W277 N318 G319 A320 N321 N484	E129-Q327 HydrophobicContact CB-CB 4.49Å; E129-Q327 HydrophobicContact CB-CG 3.99Å; E129-Q327 HydrophobicContact CG-CG 3.79Å; L274-Q327 HydrophobicContact CD1-CG 4.24Å; D275-Q327 WeakPolarHBondContact O-CA 3.28Å; D275-Q327 VanDerWaalsContact O-CG 3.24Å; D275-Q327 WeakPolarHBondContact O-CG 3.29Å; W277-Q327 PolarHBondContact NE1-O 3.02Å; N318-Q327 PolarHBondContact OD1-O 3Å; G319-Q327 PolarHBondContact O-N 3.14Å; G319-Q327 VanDerWaalsContact O-N 3.08Å; G319-Q327 PolarHBondContact O-OE1 2.75Å; A320-Q327 VanDerWaalsContact N-OE1 3.14Å; N321-Q327 PolarHBondContact ND2-NE2 3.05Å; N321-Q327 VanDerWaalsContact ND2-NE2 3.16Å; N321-Q327 PolarHBondContact OD1-NE2 3.32Å; Q327-N484 PolarHBondContact OE1-ND2 2.82Å
328	P	98.9	Very high	98.6	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.019	10%	0.104	C	C	.	.			trans	-76.6	175.4	-179.6	30.6	-33.8	0	0	0	114.1	D275 W277 N313	D275-P328 VanDerWaalsContact C-CD 3.45Å; D275-P328 HydrophobicContact CB-CG 3.45Å; D275-P328 VanDerWaalsContact CB-CG 3.45Å; D275-P328 WeakPolarHBondContact O-CD 3.32Å; W277-P328 HydrophobicContact CD2-CB 4.12Å; W277-P328 HydrophobicContact CE3-CB 4.41Å; W277-P328 HydrophobicContact CH2-CB 4.09Å; W277-P328 HydrophobicContact CZ2-CB 3.79Å; W277-P328 HydrophobicContact CZ3-CB 4.39Å; N313-P328 PolarHBondContact ND2-O 2.82Å
329	T	98.9	Very high	98.6	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.012	10%	0.104	C	C	.	.	S	Bend	trans	-69	-40.2	176.9	-60.6	0	0	0	0	110.6	T312 N313 L588 R590 Q598 L601	T312-T329 HydrophobicContact CG2-CG2 3.96Å; T312-T329 WeakPolarHBondContact CG2-O 3.46Å; N313-T329 WeakPolarHBondContact CA-O 3.46Å; N313-T329 WeakPolarHBondContact CB-O 3.47Å; N313-T329 PolarHBondContact N-O 3.17Å; T329-L588 WeakPolarHBondContact CG2-O 3.14Å; T329-R590 WeakPolarHBondContact CB-O 3.27Å; T329-R590 WeakPolarHBondContact OG1-CA 3.4Å; T329-R590 PolarHBondContact OG1-N 2.94Å; T329-R590 PolarHBondContact OG1-O 2.55Å; T329-Q598 VanDerWaalsContact N-OE1 3.17Å; T329-L601 HydrophobicContact CG2-CD2 4.03Å; T329-L601 HydrophobicContact CG2-CG 4.02Å
330	S	98.9	Very high	98.6	Very high	5 Å²	5	17 Å²	17	4%	0.035	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-66.1	136.1	168.7	-172.1	0	0	0	0	109.9	D332 E339	S330-D332 WeakPolarHBondContact OG-CB 3.44Å; S330-D332 PolarHBondContact OG-N 2.79Å; S330-D332 VanDerWaalsContact OG-N 3.17Å; S330-E339 VanDerWaalsContact CB-OE2 3.24Å; S330-E339 WeakPolarHBondContact CB-OE2 3.3Å; S330-E339 VanDerWaalsContact OG-CD 3.26Å; S330-E339 PolarHBondContact OG-OE2 2.89Å
331	Y	98.9	Very high	98.6	Very high	8 Å²	8	17 Å²	17	3%	0.031	11%	0.105	C	C	.	.			trans	-120.7	41.6	162.7	-162.9	-112.5	0	0	0	108.7	R59 E129 Y306 M307 G310 G311 Y333	R59-Y331 VanDerWaalsContact NH1-CD1 3.27Å; R59-Y331 VanDerWaalsContact NH1-CZ 3.28Å; E129-Y331 HydrophobicContact CB-CD2 4.31Å; E129-Y331 HydrophobicContact CB-CE2 3.6Å; E129-Y331 HydrophobicContact CG-CE2 3.87Å; E129-Y331 WeakPolarHBondContact OE2-CE2 3.14Å; E129-Y331 PolarHBondContact OE2-OH 2.96Å; Y306-Y331 PolarHBondContact OH-OH 3.31Å; M307-Y331 HydrophobicContact CE-CE1 4.48Å; M307-Y331 HydrophobicContact CG-CD1 4.39Å; M307-Y331 HydrophobicContact CG-CE1 3.58Å; M307-Y331 HydrophobicContact SD-CE1 4.02Å; G310-Y331 CarbonylContact C-O 3.41Å; G310-Y331 WeakPolarHBondContact CA-O 3.47Å; G311-Y331 PolarHBondContact N-O 3.08Å; G311-Y331 CarbonylContact O-C 3.55Å; G311-Y331 VanDerWaalsContact O-CA 3.25Å; G311-Y331 WeakPolarHBondContact O-CA 3.13Å; G311-Y331 WeakPolarHBondContact O-CB 3.27Å; G311-Y331 PolarHBondContact O-N 2.96Å; Y331-Y333 HydrophobicContact CE1-CD2 4.19Å; Y331-Y333 AromaticContact CE2-CD2 3.93Å; Y331-Y333 HydrophobicContact CE2-CD2 3.93Å; Y331-Y333 HydrophobicContact CE2-CE2 4.45Å; Y331-Y333 AromaticContact CZ-CD2 3.71Å; Y331-Y333 PolarHBondContact O-N 3.23Å
332	D	98.9	Very high	98.6	Very high	17 Å²	17	17 Å²	17	9%	0.091	11%	0.105	C	C	.	.			trans	-52.4	-39.3	175.1	-178.5	-87.6	0	0	0	112.1	S330 D334 A335 S338 E339 I644	S330-D332 WeakPolarHBondContact OG-CB 3.44Å; S330-D332 PolarHBondContact OG-N 2.79Å; S330-D332 VanDerWaalsContact OG-N 3.17Å; D332-D334 PolarHBondContact O-N 2.99Å; D332-D334 VanDerWaalsContact O-N 3.13Å; D332-D334 WeakPolarHBondContact OD1-CA 3.49Å; D332-D334 PolarHBondContact OD1-N 3.32Å; D332-A335 WeakPolarHBondContact O-CB 3.23Å; D332-A335 PolarHBondContact O-N 3.37Å; D332-S338 VanDerWaalsContact OD2-CA 3.24Å; D332-S338 WeakPolarHBondContact OD2-CA 3.23Å; D332-S338 WeakPolarHBondContact OD2-CB 3.25Å; D332-E339 HydrophobicContact CB-CB 3.94Å; D332-E339 PolarHBondContact OD2-N 3.31Å; D332-I644 HydrophobicContact CB-CD1 3.47Å; D332-I644 VanDerWaalsContact CB-CD1 3.47Å
333	Y	98.8	Very high	98.8	Very high	7 Å²	7	16 Å²	16	3%	0.027	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	7	174.2	-160.6	-92.2	0	0	0	114.1	Y270 G272 W273 Y306 M307 Y331 A335	Y270-Y333 WeakPolarHBondContact CD1-OH 3.43Å; G272-Y333 VanDerWaalsContact CA-O 3.25Å; G272-Y333 WeakPolarHBondContact CA-O 3.49Å; G272-Y333 WeakPolarHBondContact O-CE1 3.48Å; W273-Y333 VanDerWaalsContact C-CE2 3.47Å; W273-Y333 PolarHBondContact N-O 2.97Å; W273-Y333 WeakPolarHBondContact O-CD2 3.3Å; Y306-Y333 HydrophobicContact CD1-CE1 4.32Å; Y306-Y333 HydrophobicContact CD1-CE2 4.36Å; Y306-Y333 AromaticContact CD1-CZ 3.82Å; Y306-Y333 HydrophobicContact CE1-CE2 4.06Å; Y306-Y333 AromaticContact CE1-CZ 3.99Å; Y306-Y333 WeakPolarHBondContact O-CE1 3.37Å; M307-Y333 HydrophobicContact CB-CD1 3.93Å; M307-Y333 HydrophobicContact CB-CE1 4.49Å; M307-Y333 HydrophobicContact CB-CG 4.16Å; M307-Y333 HydrophobicContact CG-CD1 4.05Å; M307-Y333 HydrophobicContact CG-CD2 4.18Å; M307-Y333 HydrophobicContact CG-CE1 4.42Å; M307-Y333 HydrophobicContact CG-CG 3.95Å; M307-Y333 VanDerWaalsContact N-CE1 3.35Å; Y331-Y333 HydrophobicContact CE1-CD2 4.19Å; Y331-Y333 AromaticContact CE2-CD2 3.93Å; Y331-Y333 HydrophobicContact CE2-CD2 3.93Å; Y331-Y333 HydrophobicContact CE2-CE2 4.45Å; Y331-Y333 AromaticContact CZ-CD2 3.71Å; Y331-Y333 PolarHBondContact O-N 3.23Å; Y333-A335 PolarHBondContact O-N 3.16Å
334	D	98.8	Very high	98.9	Very high	34 Å²	34	12.9 Å²	12.9	18%	0.182	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	40.9	-162.6	-179.7	26.3	0	0	0	110.2	T283 I284 D332 K346	T283-D334 WeakPolarHBondContact CA-OD2 3.3Å; T283-D334 WeakPolarHBondContact CB-OD2 3.35Å; T283-D334 HydrophobicContact CG2-CB 4.22Å; I284-D334 PolarHBondContact N-OD2 2.92Å; D332-D334 PolarHBondContact O-N 2.99Å; D332-D334 VanDerWaalsContact O-N 3.13Å; D332-D334 WeakPolarHBondContact OD1-CA 3.49Å; D332-D334 PolarHBondContact OD1-N 3.32Å; D334-K346 PolarHBondContact O-NZ 3.39Å; D334-K346 IonicContact OD1-NZ 3.52Å; D334-K346 PolarHBondContact OD1-NZ 3.06Å; D334-K346 IonicContact OD2-NZ 3.14Å; D334-K346 PolarHBondContact OD2-NZ 2.9Å
335	A	98.9	Very high	98.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.008	11%	0.105	C	C	.	.			trans	-74.9	159.8	-178.4	0	0	0	0	0	111.8	M307 D332 Y333 L337	M307-A335 HydrophobicContact CB-CB 4.19Å; M307-A335 WeakPolarHBondContact O-CB 3.33Å; D332-A335 WeakPolarHBondContact O-CB 3.23Å; D332-A335 PolarHBondContact O-N 3.37Å; Y333-A335 PolarHBondContact O-N 3.16Å; A335-L337 WeakPolarHBondContact CB-O 3.46Å; A335-L337 PolarHBondContact O-N 3.38Å
336	P	98.9	Very high	98.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-52.8	-38.9	174.2	-27.6	36.5	0	0	0	113.2	T271 M307 F308 T344 K346 Y347 L350	T271-P336 HydrophobicContact CG2-CG 4.02Å; M307-P336 WeakPolarHBondContact O-CD 3.43Å; F308-P336 HydrophobicContact CD2-CB 4.28Å; F308-P336 HydrophobicContact CD2-CG 4.14Å; F308-P336 HydrophobicContact CE1-CB 4.45Å; F308-P336 HydrophobicContact CE2-CB 4.07Å; F308-P336 HydrophobicContact CE2-CG 4.3Å; F308-P336 HydrophobicContact CZ-CB 4.16Å; F308-P336 WeakPolarHBondContact O-CD 3.21Å; P336-T344 WeakPolarHBondContact O-CB 3.48Å; P336-T344 WeakPolarHBondContact O-CG2 3.35Å; P336-T344 PolarHBondContact O-OG1 2.84Å; P336-K346 HydrophobicContact CG-CD 4.35Å; P336-K346 HydrophobicContact CG-CG 4.38Å; P336-Y347 VanDerWaalsContact O-CB 3.28Å; P336-Y347 WeakPolarHBondContact O-CB 3.36Å; P336-L350 HydrophobicContact CB-CD1 4.29Å; P336-L350 HydrophobicContact CG-CD1 3.6Å
337	L	98.9	Very high	98.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-102.6	131.5	163.5	-60.7	176.5	0	0	0	109.4	K71 F308 I309 A335 D342 L343 Y347	K71-L337 HydrophobicContact CB-CD1 3.86Å; K71-L337 HydrophobicContact CB-CD2 4.28Å; K71-L337 HydrophobicContact CD-CD1 4.41Å; K71-L337 HydrophobicContact CD-CD2 4.25Å; F308-L337 HydrophobicContact CD1-CD1 4.03Å; F308-L337 HydrophobicContact CD1-CG 4.14Å; F308-L337 HydrophobicContact CE1-CD1 3.84Å; F308-L337 HydrophobicContact CE1-CG 3.82Å; F308-L337 PolarHBondContact O-N 3.29Å; I309-L337 HydrophobicContact CB-CB 3.86Å; I309-L337 HydrophobicContact CB-CD1 4.2Å; I309-L337 HydrophobicContact CD1-CB 4.07Å; I309-L337 HydrophobicContact CD1-CD1 4.36Å; I309-L337 HydrophobicContact CG1-CB 3.9Å; A335-L337 WeakPolarHBondContact CB-O 3.46Å; A335-L337 PolarHBondContact O-N 3.38Å; L337-D342 WeakPolarHBondContact CA-O 3.21Å; L337-L343 HydrophobicContact CD2-CD2 3.67Å; L337-Y347 HydrophobicContact CD2-CD2 3.58Å; L337-Y347 HydrophobicContact CD2-CE2 4.01Å; L337-Y347 HydrophobicContact CD2-CG 4.32Å; L337-Y347 HydrophobicContact CG-CD2 4.19Å
338	S	98.9	Very high	98.9	Very high	14 Å²	14	22 Å²	22	10%	0.098	11%	0.11	C	C	.	.			trans	-61.9	172.1	176.6	69.1	0	0	0	0	112.7	D332 A340 G341 D342	D332-S338 VanDerWaalsContact OD2-CA 3.24Å; D332-S338 WeakPolarHBondContact OD2-CA 3.23Å; D332-S338 WeakPolarHBondContact OD2-CB 3.25Å; S338-A340 PolarHBondContact O-N 2.98Å; S338-A340 VanDerWaalsContact O-N 3.17Å; S338-G341 WeakPolarHBondContact O-CA 3.37Å; S338-G341 PolarHBondContact O-N 3.43Å; S338-D342 PolarHBondContact N-O 3.37Å; S338-D342 VanDerWaalsContact OG-CB 3.25Å; S338-D342 WeakPolarHBondContact OG-CB 3.27Å; S338-D342 PolarHBondContact OG-N 3.01Å; S338-D342 PolarHBondContact OG-OD2 2.99Å; S338-D342 VanDerWaalsContact OG-OD2 3.13Å
339	E	98.9	Very high	98.9	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.023	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-45.2	170.8	171.7	167.5	-156.5	0	0	112.8	T312 S330 D332 G341 F602	T312-E339 WeakPolarHBondContact CB-OE1 3.48Å; T312-E339 WeakPolarHBondContact CG2-OE1 3.4Å; T312-E339 WeakPolarHBondContact OG1-CG 3.38Å; T312-E339 PolarHBondContact OG1-OE1 3.33Å; S330-E339 VanDerWaalsContact CB-OE2 3.24Å; S330-E339 WeakPolarHBondContact CB-OE2 3.3Å; S330-E339 VanDerWaalsContact OG-CD 3.26Å; S330-E339 PolarHBondContact OG-OE2 2.89Å; D332-E339 HydrophobicContact CB-CB 3.94Å; D332-E339 PolarHBondContact OD2-N 3.31Å; E339-G341 VanDerWaalsContact C-N 3.28Å; E339-G341 PolarHBondContact O-N 3.13Å; E339-F602 HydrophobicContact CG-CB 3.96Å; E339-F602 HydrophobicContact CG-CD1 4.35Å; E339-F602 HydrophobicContact CG-CG 4.32Å
340	A	98.9	Very high	98.9	Very high	1 Å²	1	23 Å²	23	1%	0.008	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	5.4	179	0	0	0	0	0	114.3	R68 S338 F570 F602	R68-A340 PolarHBondContact NH1-O 2.87Å; R68-A340 PolarHBondContact NH2-O 2.91Å; S338-A340 PolarHBondContact O-N 2.98Å; S338-A340 VanDerWaalsContact O-N 3.17Å; A340-F570 HydrophobicContact CB-CE1 4.41Å; A340-F570 HydrophobicContact CB-CZ 3.89Å; A340-F602 HydrophobicContact CB-CD2 3.92Å; A340-F602 HydrophobicContact CB-CE2 3.74Å; A340-F602 HydrophobicContact CB-CZ 4.24Å
341	G	98.8	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.			trans	76.9	29.6	179	0	0	0	0	0	114.8	K71 S338 E339	K71-G341 PolarHBondContact NZ-O 3.15Å; S338-G341 WeakPolarHBondContact O-CA 3.37Å; S338-G341 PolarHBondContact O-N 3.43Å; E339-G341 VanDerWaalsContact C-N 3.28Å; E339-G341 PolarHBondContact O-N 3.13Å
342	D	98.9	Very high	98.9	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.16	14%	0.144	C	C	.	.			trans	-82.1	147.5	-179.5	-54.6	-44.9	0	0	0	111.9	L337 S338 T344 S368 K371	L337-D342 WeakPolarHBondContact CA-O 3.21Å; S338-D342 PolarHBondContact N-O 3.37Å; S338-D342 VanDerWaalsContact OG-CB 3.25Å; S338-D342 WeakPolarHBondContact OG-CB 3.27Å; S338-D342 PolarHBondContact OG-N 3.01Å; S338-D342 PolarHBondContact OG-OD2 2.99Å; S338-D342 VanDerWaalsContact OG-OD2 3.13Å; D342-T344 PolarHBondContact O-N 3.12Å; D342-S368 WeakPolarHBondContact CA-OG 3.48Å; D342-S368 WeakPolarHBondContact CB-OG 3.23Å; D342-S368 VanDerWaalsContact OD1-CB 3.28Å; D342-S368 WeakPolarHBondContact OD1-CB 3.32Å; D342-K371 IonicContact OD1-NZ 2.75Å; D342-K371 PolarHBondContact OD1-NZ 3.25Å; D342-K371 IonicContact OD2-NZ 3.62Å; D342-K371 PolarHBondContact OD2-NZ 3.03Å
343	L	98.9	Very high	98.9	Very high	35 Å²	35	27 Å²	27	18%	0.183	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-74	107.4	175.4	-87	146.5	0	0	0	110.5	K71 L337 Y347 F348 I365 P366 S368	K71-L343 HydrophobicContact CB-CD2 4.49Å; K71-L343 HydrophobicContact CD-CD2 3.8Å; K71-L343 HydrophobicContact CG-CD2 3.98Å; L337-L343 HydrophobicContact CD2-CD2 3.67Å; L343-Y347 HydrophobicContact CD2-CD1 4.42Å; L343-Y347 HydrophobicContact CD2-CD2 4.46Å; L343-Y347 HydrophobicContact CD2-CE1 4.31Å; L343-Y347 HydrophobicContact CD2-CE2 4.3Å; L343-Y347 HydrophobicContact CG-CD1 4.1Å; L343-Y347 HydrophobicContact CG-CE1 4.1Å; L343-F348 HydrophobicContact CB-CE2 3.83Å; L343-F348 HydrophobicContact CB-CZ 3.91Å; L343-F348 HydrophobicContact CD1-CZ 4.12Å; L343-F348 HydrophobicContact CG-CE2 4.39Å; L343-F348 HydrophobicContact CG-CZ 4Å; L343-I365 HydrophobicContact CD1-CB 4.39Å; L343-I365 HydrophobicContact CD1-CG2 3.83Å; L343-I365 HydrophobicContact CD2-CG2 4.09Å; L343-I365 HydrophobicContact CG-CG2 4.23Å; L343-P366 WeakPolarHBondContact CD1-O 3.33Å; L343-S368 PolarHBondContact N-OG 3.12Å
344	T	98.9	Very high	98.9	Very high	40 Å²	40	26.6 Å²	26.6	25%	0.245	14%	0.141	C	C	.	.			trans	-88.5	169.3	176.4	72.5	0	0	0	0	112.7	P336 D342 K346 Y347 F348	P336-T344 WeakPolarHBondContact O-CB 3.48Å; P336-T344 WeakPolarHBondContact O-CG2 3.35Å; P336-T344 PolarHBondContact O-OG1 2.84Å; D342-T344 PolarHBondContact O-N 3.12Å; T344-K346 PolarHBondContact O-N 2.89Å; T344-K346 WeakPolarHBondContact OG1-CB 3.47Å; T344-K346 PolarHBondContact OG1-N 2.98Å; T344-Y347 WeakPolarHBondContact O-CB 3.37Å; T344-Y347 PolarHBondContact O-N 3.45Å; T344-Y347 PolarHBondContact OG1-N 3.22Å; T344-Y347 VanDerWaalsContact OG1-N 3.13Å; T344-F348 WeakPolarHBondContact O-CD2 3.38Å; T344-F348 PolarHBondContact O-N 2.89Å
345	E	98.8	Very high	98.9	Very high	163 Å²	163	29.6 Å²	29.6	76%	0.762	15%	0.154	S	C	*	.	H	α-helix	trans	-56.8	-37.2	168.4	-62.8	-175.9	173.5	0	0	112	Y347 F348 A349	E345-Y347 PolarHBondContact O-N 3.01Å; E345-F348 PolarHBondContact O-N 2.78Å; E345-A349 WeakPolarHBondContact O-CB 3.36Å; E345-A349 PolarHBondContact O-N 2.88Å
346	K	98.9	Very high	98.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-42.2	177	-167.2	178.7	-66	178	0	111.3	T271 I284 T286 D334 P336 T344 F348 A349 L350	T271-K346 PolarHBondContact O-NZ 3.41Å; I284-K346 VanDerWaalsContact O-CE 3.28Å; I284-K346 WeakPolarHBondContact O-CE 3.29Å; I284-K346 PolarHBondContact O-NZ 3.28Å; T286-K346 HydrophobicContact CG2-CB 4.32Å; T286-K346 HydrophobicContact CG2-CG 4.43Å; D334-K346 PolarHBondContact O-NZ 3.39Å; D334-K346 IonicContact OD1-NZ 3.52Å; D334-K346 PolarHBondContact OD1-NZ 3.06Å; D334-K346 IonicContact OD2-NZ 3.14Å; D334-K346 PolarHBondContact OD2-NZ 2.9Å; P336-K346 HydrophobicContact CG-CD 4.35Å; P336-K346 HydrophobicContact CG-CG 4.38Å; T344-K346 PolarHBondContact O-N 2.89Å; T344-K346 WeakPolarHBondContact OG1-CB 3.47Å; T344-K346 PolarHBondContact OG1-N 2.98Å; K346-F348 PolarHBondContact O-N 3.02Å; K346-A349 PolarHBondContact O-N 3.48Å; K346-L350 HydrophobicContact CG-CD1 4.05Å; K346-L350 HydrophobicContact CG-CG 4.36Å; K346-L350 VanDerWaalsContact O-CG 3.25Å; K346-L350 WeakPolarHBondContact O-CG 3.42Å; K346-L350 PolarHBondContact O-N 2.85Å
347	Y	98.9	Very high	98.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.1	-49.2	172.6	172	-82.7	0	0	0	112.4	K71 A75 F308 P336 L337 L343 T344 E345 R351 I365	K71-Y347 HydrophobicContact CB-CE2 4.45Å; K71-Y347 WeakPolarHBondContact O-CE2 3.4Å; K71-Y347 PolarHBondContact O-OH 3.32Å; K71-Y347 VanDerWaalsContact O-OH 3.08Å; A75-Y347 HydrophobicContact CB-CD2 4.3Å; A75-Y347 HydrophobicContact CB-CE2 3.64Å; A75-Y347 PolarHBondContact N-OH 2.72Å; F308-Y347 AromaticContact CE1-CD2 4Å; F308-Y347 HydrophobicContact CE1-CD2 4Å; F308-Y347 HydrophobicContact CE1-CE2 4.17Å; F308-Y347 AromaticContact CZ-CD2 3.76Å; F308-Y347 HydrophobicContact CZ-CD2 3.76Å; F308-Y347 HydrophobicContact CZ-CE2 4Å; P336-Y347 VanDerWaalsContact O-CB 3.28Å; P336-Y347 WeakPolarHBondContact O-CB 3.36Å; L337-Y347 HydrophobicContact CD2-CD2 3.58Å; L337-Y347 HydrophobicContact CD2-CE2 4.01Å; L337-Y347 HydrophobicContact CD2-CG 4.32Å; L337-Y347 HydrophobicContact CG-CD2 4.19Å; L343-Y347 HydrophobicContact CD2-CD1 4.42Å; L343-Y347 HydrophobicContact CD2-CD2 4.46Å; L343-Y347 HydrophobicContact CD2-CE1 4.31Å; L343-Y347 HydrophobicContact CD2-CE2 4.3Å; L343-Y347 HydrophobicContact CG-CD1 4.1Å; L343-Y347 HydrophobicContact CG-CE1 4.1Å; T344-Y347 WeakPolarHBondContact O-CB 3.37Å; T344-Y347 PolarHBondContact O-N 3.45Å; T344-Y347 PolarHBondContact OG1-N 3.22Å; T344-Y347 VanDerWaalsContact OG1-N 3.13Å; E345-Y347 PolarHBondContact O-N 3.01Å; Y347-R351 VanDerWaalsContact O-CB 3.3Å; Y347-R351 WeakPolarHBondContact O-CB 3.38Å; Y347-R351 PolarHBondContact O-N 3.17Å; Y347-I365 HydrophobicContact CE1-CD1 3.97Å; Y347-I365 HydrophobicContact CE1-CG2 4.31Å; Y347-I365 VanDerWaalsContact OH-CG2 3.27Å; Y347-I365 WeakPolarHBondContact OH-CG2 3.28Å
348	F	98.9	Very high	98.7	Very high	92 Å²	92	42.4 Å²	42.4	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-69.3	-36.8	-178.1	-67.5	-70.6	0	0	0	112.6	L343 T344 E345 K346 S352 I365	L343-F348 HydrophobicContact CB-CE2 3.83Å; L343-F348 HydrophobicContact CB-CZ 3.91Å; L343-F348 HydrophobicContact CD1-CZ 4.12Å; L343-F348 HydrophobicContact CG-CE2 4.39Å; L343-F348 HydrophobicContact CG-CZ 4Å; T344-F348 WeakPolarHBondContact O-CD2 3.38Å; T344-F348 PolarHBondContact O-N 2.89Å; E345-F348 PolarHBondContact O-N 2.78Å; K346-F348 PolarHBondContact O-N 3.02Å; F348-S352 WeakPolarHBondContact O-CB 3.39Å; F348-S352 PolarHBondContact O-N 3.49Å; F348-S352 PolarHBondContact O-OG 2.85Å; F348-I365 HydrophobicContact CE1-CD1 3.77Å
349	A	98.9	Very high	98.6	Very high	27 Å²	27	51.7 Å²	51.7	22%	0.223	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-48.6	175.2	0	0	0	0	0	112	T286 E345 K346 S352 V353	T286-A349 HydrophobicContact CG2-CB 3.34Å; E345-A349 WeakPolarHBondContact O-CB 3.36Å; E345-A349 PolarHBondContact O-N 2.88Å; K346-A349 PolarHBondContact O-N 3.48Å; A349-S352 WeakPolarHBondContact O-CB 3.4Å; A349-S352 PolarHBondContact O-N 2.67Å; A349-S352 VanDerWaalsContact O-N 3.12Å; A349-V353 PolarHBondContact O-N 3.38Å
350	L	98.9	Very high	98.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-38.3	-179.8	-59.2	180	0	0	0	112	V289 A290 L293 L305 P336 K346 S352 V353 I354	V289-L350 HydrophobicContact CB-CD2 4.25Å; V289-L350 HydrophobicContact CG1-CD1 4.02Å; V289-L350 HydrophobicContact CG1-CD2 3.81Å; A290-L350 HydrophobicContact CB-CD2 3.97Å; L293-L350 HydrophobicContact CB-CD2 4.49Å; L293-L350 HydrophobicContact CD2-CB 4.14Å; L293-L350 HydrophobicContact CD2-CD2 3.82Å; L293-L350 HydrophobicContact CD2-CG 4.46Å; L305-L350 HydrophobicContact CD2-CD1 3.66Å; P336-L350 HydrophobicContact CB-CD1 4.29Å; P336-L350 HydrophobicContact CG-CD1 3.6Å; K346-L350 HydrophobicContact CG-CD1 4.05Å; K346-L350 HydrophobicContact CG-CG 4.36Å; K346-L350 VanDerWaalsContact O-CG 3.25Å; K346-L350 WeakPolarHBondContact O-CG 3.42Å; K346-L350 PolarHBondContact O-N 2.85Å; L350-S352 VanDerWaalsContact C-N 3.27Å; L350-S352 PolarHBondContact O-N 2.8Å; L350-V353 WeakPolarHBondContact O-CB 3.47Å; L350-V353 PolarHBondContact O-N 2.73Å; L350-V353 VanDerWaalsContact O-N 3.13Å; L350-I354 WeakPolarHBondContact O-CG1 3.31Å; L350-I354 PolarHBondContact O-N 2.82Å
351	R	98.8	Very high	98.4	Very high	41 Å²	41	54.2 Å²	54.2	16%	0.155	27%	0.265	C	S	.	.	H	α-helix	trans	-55.6	-43.4	168.7	-179.5	178.2	-173	-74.9	-1.6	111.5	M74 A75 Y347 V353 I354 Q355 V360	M74-R351 WeakPolarHBondContact O-CD 3.45Å; M74-R351 PolarHBondContact O-NE 2.86Å; A75-R351 WeakPolarHBondContact O-CA 3.19Å; A75-R351 WeakPolarHBondContact O-CG 3.47Å; Y347-R351 VanDerWaalsContact O-CB 3.3Å; Y347-R351 WeakPolarHBondContact O-CB 3.38Å; Y347-R351 PolarHBondContact O-N 3.17Å; R351-V353 VanDerWaalsContact C-N 3.3Å; R351-V353 PolarHBondContact O-N 3.16Å; R351-I354 PolarHBondContact O-N 3.08Å; R351-Q355 VanDerWaalsContact NH1-CD 3.28Å; R351-Q355 WeakPolarHBondContact O-CG 3.42Å; R351-Q355 PolarHBondContact O-N 2.82Å; R351-V360 HydrophobicContact CG-CG1 4.32Å
352	S	98.8	Very high	98.2	Very high	61 Å²	61	63.3 Å²	63.3	43%	0.427	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-27.9	178.8	-57.4	0	0	0	0	113.1	F348 A349 L350	F348-S352 WeakPolarHBondContact O-CB 3.39Å; F348-S352 PolarHBondContact O-N 3.49Å; F348-S352 PolarHBondContact O-OG 2.85Å; A349-S352 WeakPolarHBondContact O-CB 3.4Å; A349-S352 PolarHBondContact O-N 2.67Å; A349-S352 VanDerWaalsContact O-N 3.12Å; L350-S352 VanDerWaalsContact C-N 3.27Å; L350-S352 PolarHBondContact O-N 2.8Å
353	V	98.8	Very high	97.9	Very high	10 Å²	10	64.4 Å²	64.4	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-71	-48.1	169.4	173.1	0	0	0	0	110.6	A290 L293 Y294 L297 A349 L350 R351 Q355 K356 F357	A290-V353 HydrophobicContact CB-CG2 3.96Å; L293-V353 HydrophobicContact CB-CG1 4.36Å; L293-V353 HydrophobicContact CD2-CB 4.2Å; L293-V353 HydrophobicContact CD2-CG1 3.97Å; L293-V353 HydrophobicContact CG-CG1 3.96Å; Y294-V353 HydrophobicContact CD2-CG1 4.45Å; L297-V353 HydrophobicContact CD1-CG1 4.34Å; A349-V353 PolarHBondContact O-N 3.38Å; L350-V353 WeakPolarHBondContact O-CB 3.47Å; L350-V353 PolarHBondContact O-N 2.73Å; L350-V353 VanDerWaalsContact O-N 3.13Å; R351-V353 VanDerWaalsContact C-N 3.3Å; R351-V353 PolarHBondContact O-N 3.16Å; V353-Q355 VanDerWaalsContact C-N 3.29Å; V353-Q355 PolarHBondContact O-N 3Å; V353-K356 VanDerWaalsContact O-CB 3.32Å; V353-K356 WeakPolarHBondContact O-CB 3.34Å; V353-K356 PolarHBondContact O-N 3.08Å; V353-F357 HydrophobicContact CG1-CE2 4.18Å; V353-F357 WeakPolarHBondContact O-CD2 3.5Å
354	I	98.9	Very high	97.7	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.4	-38.6	-179.6	-65.3	165.2	0	0	0	111.2	I51 L77 L293 L350 R351 K356 F357 E358 V360	I51-I354 HydrophobicContact CD1-CG2 4.07Å; I51-I354 HydrophobicContact CG2-CD1 4.05Å; I51-I354 HydrophobicContact CG2-CG1 4.16Å; L77-I354 HydrophobicContact CD2-CD1 3.96Å; L293-I354 HydrophobicContact CD2-CG1 4.34Å; L350-I354 WeakPolarHBondContact O-CG1 3.31Å; L350-I354 PolarHBondContact O-N 2.82Å; R351-I354 PolarHBondContact O-N 3.08Å; I354-K356 PolarHBondContact O-N 3.01Å; I354-F357 PolarHBondContact O-N 2.92Å; I354-E358 HydrophobicContact CG2-CB 4.28Å; I354-E358 PolarHBondContact O-N 2.81Å; I354-V360 HydrophobicContact CG2-CG2 3.99Å
355	Q	98.5	Very high	97.7	Very high	96 Å²	96	68.8 Å²	68.8	45%	0.449	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17	174.7	-77.6	-176.4	-70.6	0	0	114.8	R351 V353 V360	R351-Q355 VanDerWaalsContact NH1-CD 3.28Å; R351-Q355 WeakPolarHBondContact O-CG 3.42Å; R351-Q355 PolarHBondContact O-N 2.82Å; V353-Q355 VanDerWaalsContact C-N 3.29Å; V353-Q355 PolarHBondContact O-N 3Å; Q355-V360 HydrophobicContact CB-CG2 4.33Å; Q355-V360 HydrophobicContact CG-CB 3.83Å; Q355-V360 HydrophobicContact CG-CG2 3.39Å
356	K	98.6	Very high	97.7	Very high	144 Å²	144	62.1 Å²	62.1	63%	0.626	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.1	174.4	-58.5	177.1	-176.5	178.7	0	113	Y294 V353 I354	Y294-K356 HydrophobicContact CD2-CD 3.96Å; Y294-K356 HydrophobicContact CE2-CD 3.87Å; V353-K356 VanDerWaalsContact O-CB 3.32Å; V353-K356 WeakPolarHBondContact O-CB 3.34Å; V353-K356 PolarHBondContact O-N 3.08Å; I354-K356 PolarHBondContact O-N 3.01Å
357	F	98.4	Very high	97.7	Very high	56 Å²	56	66.5 Å²	66.5	25%	0.246	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-27.9	-173.8	-60.5	-78.8	0	0	0	113.8	Y294 L297 A298 V353 I354	Y294-F357 AromaticContact CD2-CE2 3.6Å; Y294-F357 HydrophobicContact CD2-CE2 3.6Å; Y294-F357 AromaticContact CD2-CZ 3.56Å; Y294-F357 HydrophobicContact CD2-CZ 3.56Å; Y294-F357 HydrophobicContact CE2-CE2 4.02Å; Y294-F357 AromaticContact CE2-CZ 3.63Å; Y294-F357 HydrophobicContact CE2-CZ 3.63Å; Y294-F357 HydrophobicContact CG-CE2 4.37Å; Y294-F357 HydrophobicContact CG-CZ 4.23Å; L297-F357 HydrophobicContact CB-CD1 4.2Å; L297-F357 HydrophobicContact CB-CD2 3.72Å; L297-F357 HydrophobicContact CB-CE1 4.04Å; L297-F357 HydrophobicContact CB-CE2 3.54Å; L297-F357 HydrophobicContact CB-CG 4.04Å; L297-F357 HydrophobicContact CB-CZ 3.7Å; L297-F357 HydrophobicContact CD1-CD2 3.61Å; L297-F357 HydrophobicContact CD1-CE2 3.9Å; L297-F357 HydrophobicContact CD1-CG 4.36Å; L297-F357 HydrophobicContact CG-CD2 4.32Å; L297-F357 HydrophobicContact CG-CE2 4.38Å; A298-F357 HydrophobicContact CB-CE1 4.22Å; A298-F357 HydrophobicContact CB-CZ 4.16Å; V353-F357 HydrophobicContact CG1-CE2 4.18Å; V353-F357 WeakPolarHBondContact O-CD2 3.5Å; I354-F357 PolarHBondContact O-N 2.92Å
358	E	96.6	Very high	97.7	Very high	71 Å²	71	68.7 Å²	68.7	33%	0.332	37%	0.37	S	S	.	.	S	Bend	trans	-137.1	153	-174.9	-64.7	-66.4	169.1	0	0	110.9	R49 I51 I354 V360	R49-E358 IonicContact CZ-OE1 2.73Å; R49-E358 IonicContact NE-OE1 2.67Å; R49-E358 IonicContact NH2-OE1 2.83Å; R49-E358 PolarHBondContact NH2-OE1 2.8Å; I51-E358 HydrophobicContact CD1-CG 3.76Å; I354-E358 HydrophobicContact CG2-CB 4.28Å; I354-E358 PolarHBondContact O-N 2.81Å; E358-V360 PolarHBondContact O-N 3.04Å
359	K	96.1	Very high	97.7	Very high	208 Å²	208	65.3 Å²	65.3	90%	0.904	36%	0.357	S	S	*	.			trans	-77	110.4	167.9	-69.9	-170.2	178.8	-174.3	0	109.7
360	V	97.1	Very high	97.6	Very high	18 Å²	18	67.6 Å²	67.6	11%	0.109	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-78.8	144.1	174.6	179.3	0	0	0	0	110.2	M74 R351 I354 Q355 E358	M74-V360 VanDerWaalsContact O-CG1 3.22Å; M74-V360 WeakPolarHBondContact O-CG1 3.34Å; R351-V360 HydrophobicContact CG-CG1 4.32Å; I354-V360 HydrophobicContact CG2-CG2 3.99Å; Q355-V360 HydrophobicContact CB-CG2 4.33Å; Q355-V360 HydrophobicContact CG-CB 3.83Å; Q355-V360 HydrophobicContact CG-CG2 3.39Å; E358-V360 PolarHBondContact O-N 3.04Å
361	P	96.9	Very high	97.6	Very high	41 Å²	41	69.4 Å²	69.4	27%	0.266	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-53.7	142.5	178.1	-29.1	37.1	0	0	0	114.2	K73 M74	K73-P361 HydrophobicContact CG-CG 4.38Å; M74-P361 HydrophobicContact CE-CB 4.25Å; M74-P361 HydrophobicContact SD-CB 3.73Å; M74-P361 HydrophobicContact SD-CG 4.49Å
362	E	94	Very high	97.6	Very high	191 Å²	191	71.3 Å²	71.3	89%	0.893	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-83.5	163.2	173.1	-64.6	179.4	-168.7	0	0	111.4
363	G	93.2	Very high	97.6	Very high	54 Å²	54	70.8 Å²	70.8	56%	0.557	39%	0.386	S	S	*	.	S	Bend	trans	99.5	174.8	-178.9	0	0	0	0	0	113.9	M74	M74-G363 WeakPolarHBondContact CE-O 3.23Å
364	P	95.6	Very high	97.6	Very high	125 Å²	125	72 Å²	72	81%	0.812	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-69.4	138.2	-179.5	29.2	-34.2	0	0	0	111.2
365	I	98.4	Very high	97.6	Very high	41 Å²	41	73 Å²	73	21%	0.21	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-74	139.1	168.7	-55.8	151.3	0	0	0	107.5	K71 M74 L343 Y347 F348	K71-I365 HydrophobicContact CG-CG2 4.37Å; M74-I365 HydrophobicContact CB-CB 4.43Å; M74-I365 HydrophobicContact CB-CG1 4.03Å; M74-I365 HydrophobicContact CB-CG2 4.13Å; M74-I365 HydrophobicContact CE-CG1 4.41Å; L343-I365 HydrophobicContact CD1-CB 4.39Å; L343-I365 HydrophobicContact CD1-CG2 3.83Å; L343-I365 HydrophobicContact CD2-CG2 4.09Å; L343-I365 HydrophobicContact CG-CG2 4.23Å; Y347-I365 HydrophobicContact CE1-CD1 3.97Å; Y347-I365 HydrophobicContact CE1-CG2 4.31Å; Y347-I365 VanDerWaalsContact OH-CG2 3.27Å; Y347-I365 WeakPolarHBondContact OH-CG2 3.28Å; F348-I365 HydrophobicContact CE1-CD1 3.77Å
366	P	98.4	Very high	97.5	Very high	24 Å²	24	73.8 Å²	73.8	16%	0.156	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-55.7	133.4	171.5	-22.9	32.7	0	0	0	110.7	D67 L70 K71 L343	D67-P366 WeakPolarHBondContact OD1-CB 3.16Å; L70-P366 HydrophobicContact CB-CG 4.16Å; L70-P366 HydrophobicContact CD2-CG 3.52Å; L70-P366 HydrophobicContact CG-CG 3.61Å; K71-P366 WeakPolarHBondContact CE-O 3.45Å; K71-P366 HydrophobicContact CG-CB 4.15Å; K71-P366 HydrophobicContact CG-CG 4.31Å; L343-P366 WeakPolarHBondContact CD1-O 3.33Å
367	P	98.6	Very high	97.5	Very high	96 Å²	96	68 Å²	68	62%	0.623	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-70.8	162.9	-173.4	30	-36.1	0	0	0	112.2	K71	K71-P367 WeakPolarHBondContact CE-O 3.35Å; K71-P367 PolarHBondContact NZ-O 3.11Å
368	S	98.8	Very high	97.4	Very high	46 Å²	46	69 Å²	69	32%	0.322	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-51	139.1	157.7	-57.9	0	0	0	0	109.8	D342 L343	D342-S368 WeakPolarHBondContact CA-OG 3.48Å; D342-S368 WeakPolarHBondContact CB-OG 3.23Å; D342-S368 VanDerWaalsContact OD1-CB 3.28Å; D342-S368 WeakPolarHBondContact OD1-CB 3.32Å; L343-S368 PolarHBondContact N-OG 3.12Å
369	T	98.5	Very high	97.5	Very high	20 Å²	20	66.1 Å²	66.1	12%	0.123	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-68	141.7	-178.7	48.1	0	0	0	0	110.2	Y64 K371 D568	Y64-T369 HydrophobicContact CE1-CG2 3.97Å; T369-K371 PolarHBondContact O-N 2.97Å; T369-K371 PolarHBondContact O-NZ 3.09Å; T369-K371 PolarHBondContact OG1-NZ 2.74Å; T369-D568 VanDerWaalsContact CB-OD2 3.28Å; T369-D568 WeakPolarHBondContact CB-OD2 3.03Å; T369-D568 PolarHBondContact OG1-OD2 3.17Å
370	P	98.5	Very high	97.4	Very high	75 Å²	75	63.1 Å²	63.1	49%	0.487	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-53.3	139.9	169.9	-25.8	35.7	0	0	0	110.8	Q567 D568	P370-Q567 VanDerWaalsContact CB-CD 3.49Å; P370-Q567 HydrophobicContact CB-CG 4.12Å; P370-Q567 VanDerWaalsContact CB-OE1 3.25Å; P370-D568 PolarHBondContact O-N 3.41Å
371	K	98.7	Very high	97.3	Very high	39 Å²	39	67.1 Å²	67.1	17%	0.17	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-117.9	134.1	177.3	-54.4	-61	-170.4	-73.8	0	109	D342 T369 D568 F570 D640	D342-K371 IonicContact OD1-NZ 2.75Å; D342-K371 PolarHBondContact OD1-NZ 3.25Å; D342-K371 IonicContact OD2-NZ 3.62Å; D342-K371 PolarHBondContact OD2-NZ 3.03Å; T369-K371 PolarHBondContact O-N 2.97Å; T369-K371 PolarHBondContact O-NZ 3.09Å; T369-K371 PolarHBondContact OG1-NZ 2.74Å; K371-D568 CarbonylContact C-O 3.24Å; K371-D568 VanDerWaalsContact CA-O 3.25Å; K371-D568 WeakPolarHBondContact CA-O 3.4Å; K371-D568 HydrophobicContact CD-CB 3.59Å; K371-F570 HydrophobicContact CD-CE2 3.76Å; K371-F570 HydrophobicContact CD-CZ 4.33Å; K371-F570 HydrophobicContact CG-CE2 4.13Å; K371-D640 HydrophobicContact CB-CB 4.07Å; K371-D640 WeakPolarHBondContact CB-O 3.37Å; K371-D640 WeakPolarHBondContact CG-O 3.45Å
372	F	98.7	Very high	97.1	Very high	81 Å²	81	68.6 Å²	68.6	36%	0.355	39%	0.389	S	S	.	.			trans	-121.9	131.7	-178.8	-166.8	-91.1	0	0	0	111.9	Y374 L565 Q567 D568 T569	F372-Y374 HydrophobicContact CB-CE2 4.15Å; F372-Y374 AromaticContact CD1-CD1 3.47Å; F372-Y374 HydrophobicContact CD1-CD1 3.47Å; F372-Y374 VanDerWaalsContact CD1-CD1 3.47Å; F372-Y374 AromaticContact CD1-CD2 3.95Å; F372-Y374 HydrophobicContact CD1-CD2 3.95Å; F372-Y374 AromaticContact CD1-CE1 3.49Å; F372-Y374 HydrophobicContact CD1-CE1 3.49Å; F372-Y374 VanDerWaalsContact CD1-CE1 3.49Å; F372-Y374 AromaticContact CD1-CE2 3.99Å; F372-Y374 HydrophobicContact CD1-CE2 3.99Å; F372-Y374 AromaticContact CD1-CG 3.7Å; F372-Y374 HydrophobicContact CD1-CG 3.7Å; F372-Y374 AromaticContact CD1-CZ 3.76Å; F372-Y374 AromaticContact CE1-CD1 3.66Å; F372-Y374 HydrophobicContact CE1-CD1 3.66Å; F372-Y374 AromaticContact CE1-CE1 3.89Å; F372-Y374 HydrophobicContact CE1-CE1 3.89Å; F372-Y374 HydrophobicContact CE1-CG 4.16Å; F372-Y374 HydrophobicContact CG-CE1 4.35Å; F372-Y374 PolarHBondContact O-N 2.98Å; F372-L565 HydrophobicContact CD2-CD2 4.35Å; F372-L565 HydrophobicContact CG-CD2 4.29Å; F372-Q567 HydrophobicContact CB-CB 3.79Å; F372-Q567 HydrophobicContact CB-CG 4.34Å; F372-D568 PolarHBondContact N-O 3.46Å; F372-T569 WeakPolarHBondContact O-CB 3.4Å; F372-T569 PolarHBondContact O-OG1 2.73Å
373	A	98.7	Very high	97.2	Very high	50 Å²	50	63 Å²	63	41%	0.413	36%	0.362	S	S	.	.			trans	-86.2	95.2	171.5	0	0	0	0	0	109.6	G375 F638 D640	A373-G375 PolarHBondContact O-N 2.84Å; A373-F638 CarbonylContact C-O 3.52Å; A373-F638 VanDerWaalsContact CA-O 3.24Å; A373-F638 WeakPolarHBondContact CA-O 3.1Å; A373-F638 WeakPolarHBondContact CB-O 3.44Å; A373-D640 HydrophobicContact CB-CB 4.35Å
374	Y	98.6	Very high	97.4	Very high	37 Å²	37	61.5 Å²	61.5	15%	0.145	34%	0.341	C	S	.	.			trans	-68.5	-7.9	174.5	-63.1	-81.1	0	0	0	113.1	F372 F556 I558 L565 P566 Q567 T569 L608 F638	F372-Y374 HydrophobicContact CB-CE2 4.15Å; F372-Y374 AromaticContact CD1-CD1 3.47Å; F372-Y374 HydrophobicContact CD1-CD1 3.47Å; F372-Y374 VanDerWaalsContact CD1-CD1 3.47Å; F372-Y374 AromaticContact CD1-CD2 3.95Å; F372-Y374 HydrophobicContact CD1-CD2 3.95Å; F372-Y374 AromaticContact CD1-CE1 3.49Å; F372-Y374 HydrophobicContact CD1-CE1 3.49Å; F372-Y374 VanDerWaalsContact CD1-CE1 3.49Å; F372-Y374 AromaticContact CD1-CE2 3.99Å; F372-Y374 HydrophobicContact CD1-CE2 3.99Å; F372-Y374 AromaticContact CD1-CG 3.7Å; F372-Y374 HydrophobicContact CD1-CG 3.7Å; F372-Y374 AromaticContact CD1-CZ 3.76Å; F372-Y374 AromaticContact CE1-CD1 3.66Å; F372-Y374 HydrophobicContact CE1-CD1 3.66Å; F372-Y374 AromaticContact CE1-CE1 3.89Å; F372-Y374 HydrophobicContact CE1-CE1 3.89Å; F372-Y374 HydrophobicContact CE1-CG 4.16Å; F372-Y374 HydrophobicContact CG-CE1 4.35Å; F372-Y374 PolarHBondContact O-N 2.98Å; Y374-F556 HydrophobicContact CD1-CE2 4.16Å; Y374-F556 HydrophobicContact CD2-CE2 4.46Å; Y374-F556 HydrophobicContact CG-CE2 4.04Å; Y374-I558 HydrophobicContact CD1-CD1 4.46Å; Y374-I558 HydrophobicContact CD1-CG1 4.21Å; Y374-I558 HydrophobicContact CE1-CD1 3.74Å; Y374-I558 HydrophobicContact CE1-CG1 3.73Å; Y374-I558 HydrophobicContact CE1-CG2 4.06Å; Y374-L565 HydrophobicContact CE1-CD2 4.04Å; Y374-L565 WeakPolarHBondContact OH-CD2 3.48Å; Y374-P566 WeakPolarHBondContact OH-CA 3.35Å; Y374-Q567 PolarHBondContact OH-N 3.39Å; Y374-T569 HydrophobicContact CD2-CG2 3.84Å; Y374-T569 HydrophobicContact CE2-CG2 3.89Å; Y374-L608 HydrophobicContact CE2-CD1 3.9Å; Y374-F638 HydrophobicContact CD2-CB 4.26Å; Y374-F638 HydrophobicContact CD2-CG 4.39Å; Y374-F638 HydrophobicContact CG-CB 4.49Å; Y374-F638 PolarHBondContact N-O 3.34Å
375	G	98.1	Very high	97.6	Very high	20 Å²	20	55.8 Å²	55.8	21%	0.206	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-162.4	174.9	0	0	0	0	0	113.2	A373 E637 F638	A373-G375 PolarHBondContact O-N 2.84Å; G375-E637 WeakPolarHBondContact O-CA 3.44Å; G375-F638 PolarHBondContact N-O 2.88Å; G375-F638 PolarHBondContact O-N 2.03Å
376	K	97.9	Very high	97.5	Very high	113 Å²	113	55.6 Å²	55.6	49%	0.491	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.8	-171	-173.6	179	179.2	-176.1	0	112	E632 A635 V636	K376-E632 WeakPolarHBondContact CE-O 3.39Å; K376-E632 PolarHBondContact NZ-O 2.94Å; K376-A635 HydrophobicContact CD-CB 4.2Å; K376-A635 HydrophobicContact CG-CB 3.72Å; K376-V636 CarbonylContact C-O 3.52Å; K376-V636 WeakPolarHBondContact CA-O 3.42Å
377	I	98	Very high	97.4	Very high	22 Å²	22	57.1 Å²	57.1	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.7	175.9	-51.2	-51.4	0	0	0	109.1	F556 I616 A635 V636 F638	I377-F556 HydrophobicContact CD1-CB 3.5Å; I377-F556 HydrophobicContact CD1-CG 4.07Å; I377-F556 HydrophobicContact CG1-CB 3.95Å; I377-F556 HydrophobicContact CG1-CD1 4.3Å; I377-F556 HydrophobicContact CG1-CG 4.15Å; I377-F556 HydrophobicContact CG2-CB 4.24Å; I377-I616 HydrophobicContact CB-CD1 3.92Å; I377-I616 HydrophobicContact CG1-CD1 4.15Å; I377-I616 HydrophobicContact CG2-CD1 3.81Å; I377-A635 VanDerWaalsContact O-CA 3.29Å; I377-A635 WeakPolarHBondContact O-CA 3.04Å; I377-A635 WeakPolarHBondContact O-CB 3.43Å; I377-V636 HydrophobicContact CB-CG2 4.29Å; I377-V636 PolarHBondContact N-O 2.99Å; I377-V636 PolarHBondContact O-N 2.97Å; I377-F638 HydrophobicContact CG1-CD2 3.88Å; I377-F638 HydrophobicContact CG1-CE2 3.76Å
378	S	97.1	Very high	97.4	Very high	76 Å²	76	52.6 Å²	52.6	53%	0.531	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.4	173.7	-53.8	0	0	0	0	111.2	C634	S378-C634 WeakPolarHBondContact CA-O 3.35Å
379	L	96.6	Very high	97.3	Very high	11 Å²	11	51 Å²	51	6%	0.058	29%	0.285	C	S	.	.			trans	-114.1	155.8	173.3	-48.6	-171.7	0	0	0	109.6	V553 W576 I616 V618 C634 V636	L379-V553 CarbonylContact C-O 3.54Å; L379-V553 WeakPolarHBondContact CA-O 3.39Å; L379-W576 HydrophobicContact CD1-CH2 3.9Å; L379-W576 HydrophobicContact CD1-CZ2 3.77Å; L379-W576 HydrophobicContact CG-CZ2 4.41Å; L379-I616 HydrophobicContact CD2-CB 4.19Å; L379-I616 HydrophobicContact CD2-CD1 4.36Å; L379-I616 HydrophobicContact CD2-CG2 4.4Å; L379-V618 HydrophobicContact CD1-CB 3.95Å; L379-V618 HydrophobicContact CD1-CG2 3.57Å; L379-C634 PolarHBondContact N-O 2.89Å; L379-C634 PolarHBondContact O-SG 3.29Å; L379-V636 HydrophobicContact CD1-CG1 3.95Å; L379-V636 HydrophobicContact CD1-CG2 4.47Å; L379-V636 HydrophobicContact CD2-CG2 4.13Å; L379-V636 HydrophobicContact CG-CG2 4.43Å
380	E	94.7	Very high	97.2	Very high	145 Å²	145	57.1 Å²	57.1	68%	0.678	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.8	171.1	63.6	-173.5	175.1	0	0	110.5	L382 Y552 V553	E380-L382 PolarHBondContact O-N 3.42Å; E380-Y552 CarbonylContact O-C 3.43Å; E380-Y552 WeakPolarHBondContact O-CA 3.42Å; E380-V553 PolarHBondContact N-O 3.13Å; E380-V553 PolarHBondContact O-N 2.91Å
381	K	94.8	Very high	97.1	Very high	102 Å²	102	55.9 Å²	55.9	44%	0.443	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.7	177.3	-174.4	-169.1	172.1	-160.4	0	109.1	D536 A550 Y552	K381-D536 IonicContact NZ-OD2 3.99Å; K381-A550 HydrophobicContact CG-CB 4.44Å; K381-Y552 HydrophobicContact CB-CD1 3.87Å; K381-Y552 HydrophobicContact CB-CE1 3.57Å; K381-Y552 HydrophobicContact CG-CD1 4.45Å; K381-Y552 HydrophobicContact CG-CE1 3.94Å
382	L	94.3	Very high	97	Very high	72 Å²	72	54 Å²	54	38%	0.377	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-61.5	178.5	-179.6	58.2	0	0	0	111.4	E380 L524 F551 V553	E380-L382 PolarHBondContact O-N 3.42Å; L382-L524 HydrophobicContact CD2-CB 4.12Å; L382-L524 HydrophobicContact CD2-CD1 3.73Å; L382-L524 HydrophobicContact CD2-CG 3.9Å; L382-L524 HydrophobicContact CG-CD1 4.04Å; L382-F551 PolarHBondContact N-O 2.86Å; L382-V553 HydrophobicContact CB-CG2 4.03Å; L382-V553 HydrophobicContact CD2-CG2 3.7Å; L382-V553 HydrophobicContact CG-CG2 4.5Å
383	K	95.4	Very high	97	Very high	75 Å²	75	50.7 Å²	50.7	33%	0.326	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.9	178.5	-72	178.4	175.4	-104	0	110.6	A387 A388 I391 L524 A550 F551	K383-A387 PolarHBondContact NZ-O 3.1Å; K383-A388 HydrophobicContact CB-CB 4.19Å; K383-A388 HydrophobicContact CD-CB 4.04Å; K383-I391 HydrophobicContact CD-CD1 4.35Å; K383-L524 HydrophobicContact CB-CD1 3.89Å; K383-L524 HydrophobicContact CD-CB 4.24Å; K383-L524 HydrophobicContact CD-CD1 4.11Å; K383-L524 HydrophobicContact CG-CD1 4.3Å; K383-A550 WeakPolarHBondContact O-CA 3.48Å; K383-F551 PolarHBondContact O-N 2.96Å
384	T	97.9	Very high	96.9	Very high	21 Å²	21	53 Å²	53	13%	0.129	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	157.1	161.3	62.5	0	0	0	0	109.8	G386 A387 A388 L548 P549 A550	T384-G386 VanDerWaalsContact C-N 3.25Å; T384-G386 PolarHBondContact O-N 3.29Å; T384-A387 PolarHBondContact O-N 2.84Å; T384-A387 VanDerWaalsContact O-N 3.11Å; T384-A387 VanDerWaalsContact OG1-CB 3.3Å; T384-A387 WeakPolarHBondContact OG1-CB 3.25Å; T384-A387 PolarHBondContact OG1-N 3.35Å; T384-A388 PolarHBondContact O-N 3.03Å; T384-L548 HydrophobicContact CG2-CB 4.09Å; T384-L548 HydrophobicContact CG2-CD1 3.98Å; T384-P549 WeakPolarHBondContact CA-O 3.45Å; T384-A550 HydrophobicContact CG2-CB 4.26Å
385	V	98.3	Very high	96.8	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.036	33%	0.33	C	S	.	.	S	Bend	trans	-55.8	-43.7	174.6	172.7	0	0	0	0	110.8	A387 A388 L389 L392 L476 L514 P549 F551 L619	V385-A387 VanDerWaalsContact C-N 3.31Å; V385-A387 PolarHBondContact O-N 2.86Å; V385-A388 PolarHBondContact O-N 3.14Å; V385-A388 VanDerWaalsContact O-N 3.1Å; V385-L389 PolarHBondContact O-N 3.2Å; V385-L392 HydrophobicContact CG1-CD1 3.99Å; V385-L476 HydrophobicContact CG1-CD1 4.11Å; V385-L476 HydrophobicContact CG1-CD2 4.35Å; V385-L476 HydrophobicContact CG2-CD2 4.1Å; V385-L514 HydrophobicContact CG1-CD1 3.85Å; V385-P549 HydrophobicContact CB-CB 4.44Å; V385-P549 HydrophobicContact CG2-CB 3.91Å; V385-P549 PolarHBondContact N-O 2.83Å; V385-F551 HydrophobicContact CG2-CE2 4.01Å; V385-L619 HydrophobicContact CG2-CD1 3.71Å
386	G	96.9	Very high	96.8	Very high	36 Å²	36	57.7 Å²	57.7	37%	0.371	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-61.7	-32.5	177.2	0	0	0	0	0	114.5	T384 A388	T384-G386 VanDerWaalsContact C-N 3.25Å; T384-G386 PolarHBondContact O-N 3.29Å; G386-A388 VanDerWaalsContact C-N 3.33Å
387	A	96.8	Very high	96.8	Very high	57 Å²	57	54.7 Å²	54.7	47%	0.471	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-87.6	1.1	176.8	0	0	0	0	0	114	K383 T384 V385	K383-A387 PolarHBondContact NZ-O 3.1Å; T384-A387 PolarHBondContact O-N 2.84Å; T384-A387 VanDerWaalsContact O-N 3.11Å; T384-A387 VanDerWaalsContact OG1-CB 3.3Å; T384-A387 WeakPolarHBondContact OG1-CB 3.25Å; T384-A387 PolarHBondContact OG1-N 3.35Å; V385-A387 VanDerWaalsContact C-N 3.31Å; V385-A387 PolarHBondContact O-N 2.86Å
388	A	97.3	Very high	96.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-114.5	6.3	178.2	0	0	0	0	0	112.9	K383 T384 V385 G386 D390 I391 L392 L524	K383-A388 HydrophobicContact CB-CB 4.19Å; K383-A388 HydrophobicContact CD-CB 4.04Å; T384-A388 PolarHBondContact O-N 3.03Å; V385-A388 PolarHBondContact O-N 3.14Å; V385-A388 VanDerWaalsContact O-N 3.1Å; G386-A388 VanDerWaalsContact C-N 3.33Å; A388-D390 VanDerWaalsContact C-N 3.29Å; A388-D390 PolarHBondContact O-N 2.81Å; A388-I391 PolarHBondContact O-N 2.75Å; A388-L392 HydrophobicContact CB-CD1 3.74Å; A388-L392 HydrophobicContact CB-CG 4.16Å; A388-L392 WeakPolarHBondContact O-CG 3.03Å; A388-L392 PolarHBondContact O-N 3.21Å; A388-L524 HydrophobicContact CB-CD1 4.46Å
389	L	97.7	Very high	96.9	Very high	12 Å²	12	61.1 Å²	61.1	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-34	-174.2	-71.9	173.7	0	0	0	114.3	V385 I391 L392 C393 L417 F512 L514	V385-L389 PolarHBondContact O-N 3.2Å; L389-I391 PolarHBondContact O-N 2.88Å; L389-L392 PolarHBondContact O-N 2.92Å; L389-C393 WeakPolarHBondContact O-CA 3.29Å; L389-C393 WeakPolarHBondContact O-CB 3.41Å; L389-C393 PolarHBondContact O-N 3.41Å; L389-L417 HydrophobicContact CD1-CD2 3.75Å; L389-L417 HydrophobicContact CD2-CD2 3.71Å; L389-L417 HydrophobicContact CG-CD2 4.29Å; L389-F512 HydrophobicContact CB-CD1 4.48Å; L389-F512 HydrophobicContact CD1-CD1 4.36Å; L389-F512 HydrophobicContact CD1-CE1 4.12Å; L389-F512 HydrophobicContact CD1-CE2 4.46Å; L389-F512 HydrophobicContact CD1-CZ 4.18Å; L389-F512 HydrophobicContact CD2-CB 4.15Å; L389-F512 HydrophobicContact CD2-CD1 4.04Å; L389-F512 HydrophobicContact CD2-CG 4.05Å; L389-L514 HydrophobicContact CD2-CD2 3.73Å
390	D	95.6	Very high	97	Very high	148 Å²	148	62.3 Å²	62.3	79%	0.791	36%	0.357	S	S	*	.	H	α-helix	trans	-64.9	-23.7	177.3	-56.2	-33.7	0	0	0	112.9	A388	A388-D390 VanDerWaalsContact C-N 3.29Å; A388-D390 PolarHBondContact O-N 2.81Å
391	I	96.3	Very high	97.2	Very high	49 Å²	49	60.4 Å²	60.4	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-97.2	-39.6	179	-58.3	136.8	0	0	0	110.8	K383 A388 L389 A519 L524	K383-I391 HydrophobicContact CD-CD1 4.35Å; A388-I391 PolarHBondContact O-N 2.75Å; L389-I391 PolarHBondContact O-N 2.88Å; I391-A519 HydrophobicContact CG2-CB 4Å; I391-L524 HydrophobicContact CD1-CB 4.39Å; I391-L524 WeakPolarHBondContact CD1-O 3.48Å
392	L	97.6	Very high	97.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-73.5	-28.9	178.9	-68.6	165.5	0	0	0	112.6	V385 A388 L389 P394 L514 D515 T516 A519 F551	V385-L392 HydrophobicContact CG1-CD1 3.99Å; A388-L392 HydrophobicContact CB-CD1 3.74Å; A388-L392 HydrophobicContact CB-CG 4.16Å; A388-L392 WeakPolarHBondContact O-CG 3.03Å; A388-L392 PolarHBondContact O-N 3.21Å; L389-L392 PolarHBondContact O-N 2.92Å; L392-P394 VanDerWaalsContact C-CD 3.49Å; L392-L514 HydrophobicContact CB-CB 4.22Å; L392-L514 HydrophobicContact CB-CD2 3.84Å; L392-L514 HydrophobicContact CD1-CD2 4.33Å; L392-L514 HydrophobicContact CD2-CB 4.46Å; L392-L514 CarbonylContact O-C 3.55Å; L392-L514 WeakPolarHBondContact O-CA 3.27Å; L392-D515 PolarHBondContact O-N 3.39Å; L392-T516 HydrophobicContact CD2-CG2 4.22Å; L392-A519 HydrophobicContact CD2-CB 3.56Å; L392-A519 HydrophobicContact CG-CB 4.33Å; L392-F551 HydrophobicContact CD1-CE2 4.19Å; L392-F551 HydrophobicContact CD2-CE2 4.37Å; L392-F551 HydrophobicContact CD2-CZ 4.12Å
393	C	98.1	Very high	97.6	Very high	11 Å²	11	58 Å²	58	7%	0.074	34%	0.337	C	S	.	.			trans	-131.8	61.5	-176	-159.8	0	0	0	0	110.4	L389 S395 G396 F512 P513	L389-C393 WeakPolarHBondContact O-CA 3.29Å; L389-C393 WeakPolarHBondContact O-CB 3.41Å; L389-C393 PolarHBondContact O-N 3.41Å; C393-S395 PolarHBondContact O-N 3.17Å; C393-G396 WeakPolarHBondContact O-CA 3.49Å; C393-G396 PolarHBondContact O-N 3.39Å; C393-G396 PolarHBondContact SG-O 3.04Å; C393-F512 HydrophobicContact CB-CB 4.13Å; C393-F512 HydrophobicContact CB-CD1 3.96Å; C393-P513 WeakPolarHBondContact CB-O 3.29Å; C393-P513 PolarHBondContact SG-O 2.91Å
394	P	96.6	Very high	97.8	Very high	97 Å²	97	56.3 Å²	56.3	63%	0.63	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.3	-171	27.8	-35.8	0	0	0	113.4	L392 G396	L392-P394 VanDerWaalsContact C-CD 3.49Å; P394-G396 PolarHBondContact O-N 2.88Å
395	S	96.9	Very high	97.8	Very high	125 Å²	125	56 Å²	56	87%	0.874	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.2	172.6	-58.7	0	0	0	0	113.8	C393	C393-S395 PolarHBondContact O-N 3.17Å
396	G	97.3	Very high	97.8	Very high	32 Å²	32	55.8 Å²	55.8	33%	0.33	33%	0.328	S	S	.	.			trans	77.6	167.1	-172.6	0	0	0	0	0	114.1	C393 P394	C393-G396 WeakPolarHBondContact O-CA 3.49Å; C393-G396 PolarHBondContact O-N 3.39Å; C393-G396 PolarHBondContact SG-O 3.04Å; P394-G396 PolarHBondContact O-N 2.88Å
397	P	98.4	Very high	97.9	Very high	50 Å²	50	54.2 Å²	54.2	33%	0.325	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-78.5	155.3	-175	30.1	-35.1	0	0	0	114.2	T510 I511 F512	P397-T510 HydrophobicContact CB-CG2 3.44Å; P397-T510 VanDerWaalsContact CB-CG2 3.44Å; P397-T510 HydrophobicContact CG-CG2 3.51Å; P397-I511 CarbonylContact C-O 3.59Å; P397-I511 VanDerWaalsContact CA-O 3.29Å; P397-I511 WeakPolarHBondContact CA-O 3.35Å; P397-I511 WeakPolarHBondContact CB-O 3.4Å; P397-F512 HydrophobicContact CB-CD1 3.66Å; P397-F512 HydrophobicContact CB-CD2 4.09Å; P397-F512 HydrophobicContact CB-CE1 3.59Å; P397-F512 HydrophobicContact CB-CE2 4.03Å; P397-F512 HydrophobicContact CB-CG 3.9Å; P397-F512 HydrophobicContact CB-CZ 3.78Å; P397-F512 HydrophobicContact CG-CD1 4.12Å; P397-F512 HydrophobicContact CG-CE1 3.58Å; P397-F512 HydrophobicContact CG-CE2 4.47Å; P397-F512 HydrophobicContact CG-CZ 3.78Å
398	I	98.8	Very high	98	Very high	64 Å²	64	55.1 Å²	55.1	33%	0.328	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130.5	169	-59	171.2	0	0	0	108.7	L404 V409 I511 P513	I398-L404 HydrophobicContact CG2-CD1 3.98Å; I398-V409 HydrophobicContact CD1-CB 3.82Å; I398-V409 HydrophobicContact CD1-CG1 3.95Å; I398-I511 PolarHBondContact N-O 2.82Å; I398-I511 PolarHBondContact O-N 3.28Å; I398-P513 HydrophobicContact CD1-CG 4.49Å
399	K	98.7	Very high	98.1	Very high	169 Å²	169	55.3 Å²	55.3	74%	0.735	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	137.1	174	-66.9	-174	178.5	-177.3	0	110.9	W509	K399-W509 WeakPolarHBondContact CA-O 3.21Å
400	S	98.8	Very high	98.1	Very high	35 Å²	35	59.6 Å²	59.6	25%	0.245	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153.3	179.3	-178.5	0	0	0	0	111.5	Y402 W509	S400-Y402 WeakPolarHBondContact CB-O 3.48Å; S400-Y402 PolarHBondContact OG-N 3.08Å; S400-Y402 PolarHBondContact OG-O 2.95Å; S400-W509 PolarHBondContact N-O 2.87Å; S400-W509 PolarHBondContact O-N 3.15Å
401	L	98.6	Very high	98.3	Very high	105 Å²	105	53.5 Å²	53.5	55%	0.55	29%	0.291	S	S	.	.	S	Bend	trans	-69.1	-39.1	175.7	-177.2	63.6	0	0	0	111.6	T507 G508	L401-T507 HydrophobicContact CD1-CG2 4.38Å; L401-T507 CarbonylContact O-C 3.56Å; L401-T507 WeakPolarHBondContact O-CA 3.28Å; L401-T507 VanDerWaalsContact O-CB 3.28Å; L401-T507 WeakPolarHBondContact O-CB 3.27Å; L401-G508 PolarHBondContact O-N 2.81Å
402	Y	98.8	Very high	98.4	Very high	109 Å²	109	51.6 Å²	51.6	43%	0.427	28%	0.281	S	S	.	.	S	Bend	trans	-121.2	163.8	178.5	-61.2	-66.1	0	0	0	110	S400 N498 I505 T507	S400-Y402 WeakPolarHBondContact CB-O 3.48Å; S400-Y402 PolarHBondContact OG-N 3.08Å; S400-Y402 PolarHBondContact OG-O 2.95Å; Y402-N498 VanDerWaalsContact CD1-OD1 3.23Å; Y402-N498 WeakPolarHBondContact CD1-OD1 3.07Å; Y402-I505 HydrophobicContact CD1-CG2 4.28Å; Y402-I505 HydrophobicContact CE1-CG2 3.97Å; Y402-T507 HydrophobicContact CD1-CG2 4.04Å; Y402-T507 HydrophobicContact CE1-CG2 3.64Å
403	P	98.7	Very high	98.4	Very high	16 Å²	16	53.5 Å²	53.5	10%	0.104	29%	0.288	C	S	.	.			trans	-59.7	150.7	176.8	-17.8	30.3	0	0	0	112.1	Y418 L495 N498 W509	P403-Y418 HydrophobicContact CB-CD1 4.39Å; P403-Y418 HydrophobicContact CB-CE1 4.29Å; P403-L495 HydrophobicContact CB-CB 3.55Å; P403-L495 HydrophobicContact CB-CD1 4.1Å; P403-L495 HydrophobicContact CB-CG 4.45Å; P403-L495 HydrophobicContact CG-CB 4.18Å; P403-L495 HydrophobicContact CG-CD1 4.2Å; P403-N498 WeakPolarHBondContact CD-OD1 3.34Å; P403-W509 HydrophobicContact CG-CD2 4.22Å; P403-W509 HydrophobicContact CG-CG 4.37Å; P403-W509 HydrophobicContact CG-CZ2 4.2Å
404	L	98.9	Very high	98.5	Very high	38 Å²	38	53 Å²	53	20%	0.199	29%	0.285	C	S	.	.			trans	-113.4	150.1	173.1	-62.2	177.8	0	0	0	110	I398 Q408 V409 Y418 I511	I398-L404 HydrophobicContact CG2-CD1 3.98Å; L404-Q408 VanDerWaalsContact CA-OE1 3.22Å; L404-Q408 HydrophobicContact CB-CB 4.01Å; L404-V409 HydrophobicContact CB-CG1 3.77Å; L404-V409 HydrophobicContact CD1-CG1 4.13Å; L404-Y418 WeakPolarHBondContact O-CE1 3.2Å; L404-Y418 PolarHBondContact O-OH 3.17Å; L404-I511 HydrophobicContact CB-CD1 3.8Å; L404-I511 HydrophobicContact CD1-CD1 4.27Å; L404-I511 HydrophobicContact CG-CD1 3.95Å
405	T	98.9	Very high	98.6	Very high	16 Å²	16	48.5 Å²	48.5	10%	0.098	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-71.4	163	175.5	69.4	0	0	0	0	111.8	I407 Q408 V409 F492 K493 V496	T405-I407 PolarHBondContact O-N 3.26Å; T405-I407 PolarHBondContact OG1-N 3.04Å; T405-Q408 PolarHBondContact O-N 3.24Å; T405-Q408 VanDerWaalsContact O-N 3.14Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.44Å; T405-Q408 PolarHBondContact OG1-N 2.62Å; T405-V409 PolarHBondContact O-N 2.91Å; T405-V409 VanDerWaalsContact O-N 3.09Å; T405-F492 HydrophobicContact CG2-CB 4.09Å; T405-K493 WeakPolarHBondContact CB-O 3.39Å; T405-V496 HydrophobicContact CG2-CB 4.47Å; T405-V496 HydrophobicContact CG2-CG1 4.09Å
406	F	98.9	Very high	98.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-42.9	170.4	-96.9	-134.2	0	0	0	112	V409 K410 Q411 V416 Y418 V477 N479 K493 G494	F406-V409 CarbonylContact O-C 3.53Å; F406-V409 WeakPolarHBondContact O-CG2 3.42Å; F406-V409 PolarHBondContact O-N 2.92Å; F406-K410 PolarHBondContact O-N 3.36Å; F406-Q411 CarbonylContact C-O 3.52Å; F406-Q411 VanDerWaalsContact C-O 3.24Å; F406-Q411 VanDerWaalsContact CB-O 3.25Å; F406-Q411 WeakPolarHBondContact CB-O 3.33Å; F406-Q411 PolarHBondContact O-N 3.32Å; F406-V416 HydrophobicContact CD1-CG2 4.22Å; F406-V416 HydrophobicContact CD2-CB 4.04Å; F406-V416 HydrophobicContact CD2-CG2 3.6Å; F406-V416 HydrophobicContact CE1-CG2 4.03Å; F406-V416 HydrophobicContact CE2-CB 3.53Å; F406-V416 HydrophobicContact CE2-CG2 3.41Å; F406-V416 VanDerWaalsContact CE2-CG2 3.41Å; F406-V416 HydrophobicContact CG-CG2 4.04Å; F406-V416 HydrophobicContact CZ-CB 3.98Å; F406-V416 HydrophobicContact CZ-CG2 3.64Å; F406-Y418 HydrophobicContact CE2-CE2 4.47Å; F406-V477 HydrophobicContact CE2-CB 4.3Å; F406-V477 HydrophobicContact CE2-CG1 4.22Å; F406-V477 WeakPolarHBondContact CZ-O 3.42Å; F406-N479 HydrophobicContact CD1-CB 3.98Å; F406-N479 HydrophobicContact CE1-CB 3.49Å; F406-N479 VanDerWaalsContact CE1-CB 3.49Å; F406-N479 HydrophobicContact CZ-CB 4.19Å; F406-K493 HydrophobicContact CB-CB 3.95Å; F406-K493 HydrophobicContact CD1-CB 4.04Å; F406-K493 HydrophobicContact CD2-CB 4.29Å; F406-K493 HydrophobicContact CG-CB 3.85Å; F406-K493 PolarHBondContact N-O 2.95Å; F406-G494 VanDerWaalsContact CD2-N 3.35Å
407	I	98.8	Very high	98.8	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-45.9	178.8	-49.1	-55.8	0	0	0	111.8	A137 L140 E141 T405 V409 K410 Y412 F492	A137-I407 HydrophobicContact CB-CD1 4.02Å; A137-I407 WeakPolarHBondContact O-CD1 3.4Å; L140-I407 HydrophobicContact CB-CD1 4.19Å; L140-I407 HydrophobicContact CB-CG1 3.89Å; L140-I407 HydrophobicContact CB-CG2 4.18Å; L140-I407 HydrophobicContact CD1-CD1 4.3Å; L140-I407 HydrophobicContact CD1-CG1 4.36Å; E141-I407 HydrophobicContact CB-CG2 4.36Å; E141-I407 HydrophobicContact CG-CG2 3.66Å; T405-I407 PolarHBondContact O-N 3.26Å; T405-I407 PolarHBondContact OG1-N 3.04Å; I407-V409 VanDerWaalsContact C-N 3.27Å; I407-V409 PolarHBondContact O-N 3.13Å; I407-K410 PolarHBondContact O-N 3.07Å; I407-K410 VanDerWaalsContact O-N 3.08Å; I407-Y412 HydrophobicContact CD1-CD1 3.94Å; I407-Y412 HydrophobicContact CD1-CE1 4.32Å; I407-F492 HydrophobicContact CG1-CB 4.5Å; I407-F492 HydrophobicContact CG1-CD1 4.07Å; I407-F492 WeakPolarHBondContact CG1-O 3.28Å
408	Q	98.8	Very high	98.8	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.5	179.8	-74	168.7	-22.1	0	0	112.2	E143 L404 T405 K410	E143-Q408 PolarHBondContact OE1-NE2 3.08Å; L404-Q408 VanDerWaalsContact CA-OE1 3.22Å; L404-Q408 HydrophobicContact CB-CB 4.01Å; T405-Q408 PolarHBondContact O-N 3.24Å; T405-Q408 VanDerWaalsContact O-N 3.14Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.44Å; T405-Q408 PolarHBondContact OG1-N 2.62Å; Q408-K410 VanDerWaalsContact C-N 3.33Å
409	V	98.8	Very high	98.8	Very high	5 Å²	5	39 Å²	39	3%	0.03	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	11.2	174.9	-53.9	0	0	0	0	114.2	I398 L404 T405 F406 I407 Q411 V416 I511 P513	I398-V409 HydrophobicContact CD1-CB 3.82Å; I398-V409 HydrophobicContact CD1-CG1 3.95Å; L404-V409 HydrophobicContact CB-CG1 3.77Å; L404-V409 HydrophobicContact CD1-CG1 4.13Å; T405-V409 PolarHBondContact O-N 2.91Å; T405-V409 VanDerWaalsContact O-N 3.09Å; F406-V409 CarbonylContact O-C 3.53Å; F406-V409 WeakPolarHBondContact O-CG2 3.42Å; F406-V409 PolarHBondContact O-N 2.92Å; I407-V409 VanDerWaalsContact C-N 3.27Å; I407-V409 PolarHBondContact O-N 3.13Å; V409-Q411 PolarHBondContact O-N 2.7Å; V409-V416 HydrophobicContact CG2-CG1 4.33Å; V409-V416 HydrophobicContact CG2-CG2 4.2Å; V409-I511 HydrophobicContact CG1-CG2 4.01Å; V409-P513 HydrophobicContact CB-CG 3.98Å; V409-P513 HydrophobicContact CG2-CG 4.08Å; V409-P513 WeakPolarHBondContact O-CG 3.45Å
410	K	98.6	Very high	98.8	Very high	101 Å²	101	31.3 Å²	31.3	44%	0.439	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	42.8	177.5	-54.2	-56	-171.2	-173.9	0	113.8	W92 E141 F406 I407 Q408	W92-K410 HydrophobicContact CH2-CB 4.12Å; W92-K410 WeakPolarHBondContact CH2-O 3.38Å; W92-K410 HydrophobicContact CZ3-CB 4.41Å; E141-K410 IonicContact OE1-NZ 3.1Å; E141-K410 PolarHBondContact OE1-NZ 3.15Å; E141-K410 IonicContact OE2-NZ 2.91Å; E141-K410 PolarHBondContact OE2-NZ 2.88Å; F406-K410 PolarHBondContact O-N 3.36Å; I407-K410 PolarHBondContact O-N 3.07Å; I407-K410 VanDerWaalsContact O-N 3.08Å; Q408-K410 VanDerWaalsContact C-N 3.33Å
411	Q	98.7	Very high	98.8	Very high	21 Å²	21	33.5 Å²	33.5	10%	0.098	16%	0.16	C	C	.	.			trans	-132	125.1	170.2	-177	173.5	-17.5	0	0	111.1	F406 V409 Y413 F415 V416 P513 L514	F406-Q411 CarbonylContact C-O 3.52Å; F406-Q411 VanDerWaalsContact C-O 3.24Å; F406-Q411 VanDerWaalsContact CB-O 3.25Å; F406-Q411 WeakPolarHBondContact CB-O 3.33Å; F406-Q411 PolarHBondContact O-N 3.32Å; V409-Q411 PolarHBondContact O-N 2.7Å; Q411-Y413 WeakPolarHBondContact CG-O 3.42Å; Q411-Y413 PolarHBondContact NE2-O 3.22Å; Q411-F415 PolarHBondContact NE2-O 3Å; Q411-F415 PolarHBondContact OE1-O 3.26Å; Q411-V416 HydrophobicContact CB-CG2 4.28Å; Q411-V416 HydrophobicContact CG-CG2 4.37Å; Q411-P513 HydrophobicContact CB-CB 4.38Å; Q411-P513 VanDerWaalsContact OE1-CB 3.31Å; Q411-L514 PolarHBondContact NE2-O 3.24Å
412	Y	98.6	Very high	98.8	Very high	8 Å²	8	28.6 Å²	28.6	3%	0.031	13%	0.134	C	C	.	.			trans	-94.9	-35	-174.6	-54.1	-45.7	0	0	0	113.4	W92 A137 W138 E141 I407 N479 R482	W92-Y412 AromaticContact CD2-CE2 3.81Å; W92-Y412 HydrophobicContact CD2-CE2 3.81Å; W92-Y412 AromaticContact CE2-CE2 3.91Å; W92-Y412 AromaticContact CE3-CE2 3.61Å; W92-Y412 HydrophobicContact CE3-CE2 3.61Å; W92-Y412 AromaticContact CE3-CZ 3.93Å; W92-Y412 HydrophobicContact CH2-CD2 4.49Å; W92-Y412 AromaticContact CH2-CE2 3.65Å; W92-Y412 HydrophobicContact CH2-CE2 3.65Å; W92-Y412 AromaticContact CH2-CZ 3.92Å; W92-Y412 HydrophobicContact CZ2-CD2 4.38Å; W92-Y412 AromaticContact CZ2-CE2 3.83Å; W92-Y412 HydrophobicContact CZ2-CE2 3.83Å; W92-Y412 AromaticContact CZ3-CE2 3.55Å; W92-Y412 HydrophobicContact CZ3-CE2 3.55Å; W92-Y412 AromaticContact CZ3-CZ 3.58Å; W92-Y412 WeakPolarHBondContact CZ3-OH 3.29Å; A137-Y412 HydrophobicContact CB-CD1 3.6Å; A137-Y412 HydrophobicContact CB-CE1 4.46Å; A137-Y412 HydrophobicContact CB-CG 3.78Å; W138-Y412 HydrophobicContact CB-CE1 4.07Å; W138-Y412 HydrophobicContact CB-CE2 4.21Å; W138-Y412 WeakPolarHBondContact CB-OH 3.24Å; E141-Y412 PolarHBondContact OE1-OH 3.24Å; I407-Y412 HydrophobicContact CD1-CD1 3.94Å; I407-Y412 HydrophobicContact CD1-CE1 4.32Å; Y412-N479 PolarHBondContact O-ND2 3.13Å; Y412-R482 PolarHBondContact O-NH1 3.2Å; Y412-R482 PolarHBondContact O-NH2 3.42Å
413	Y	98.8	Very high	98.7	Very high	42 Å²	42	27.8 Å²	27.8	17%	0.165	14%	0.142	C	C	.	.	S	Bend	trans	-128.7	173	-171.6	-45.1	-56.1	0	0	0	111.8	E131 W317 Q411	E131-Y413 HydrophobicContact CG-CD1 4.17Å; E131-Y413 HydrophobicContact CG-CE1 3.57Å; W317-Y413 HydrophobicContact CH2-CE2 4.09Å; W317-Y413 HydrophobicContact CZ3-CE1 4.49Å; W317-Y413 HydrophobicContact CZ3-CE2 4.21Å; W317-Y413 AromaticContact CZ3-CZ 3.86Å; Q411-Y413 WeakPolarHBondContact CG-O 3.42Å; Q411-Y413 PolarHBondContact NE2-O 3.22Å
414	G	98.7	Very high	98.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	70.4	-129.1	178.4	0	0	0	0	0	113.7	N479	G414-N479 PolarHBondContact O-N 3.36Å
415	F	98.9	Very high	98.4	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.1	-163	-50.2	-91.5	0	0	0	113.1	Y316 Q411 L476 V477 E478 L514 T516 Q580 L619 L621	Y316-F415 HydrophobicContact CE1-CE2 4.23Å; Q411-F415 PolarHBondContact NE2-O 3Å; Q411-F415 PolarHBondContact OE1-O 3.26Å; F415-L476 HydrophobicContact CB-CD1 3.84Å; F415-L476 HydrophobicContact CB-CG 4.46Å; F415-V477 CarbonylContact C-O 3.57Å; F415-V477 VanDerWaalsContact CA-O 3.26Å; F415-V477 WeakPolarHBondContact CA-O 3.45Å; F415-E478 HydrophobicContact CD1-CB 3.7Å; F415-E478 HydrophobicContact CD1-CG 3.93Å; F415-E478 HydrophobicContact CE1-CB 3.71Å; F415-E478 HydrophobicContact CE1-CG 3.52Å; F415-E478 HydrophobicContact CZ-CG 4.3Å; F415-L514 HydrophobicContact CB-CD1 4.13Å; F415-L514 VanDerWaalsContact O-CB 3.3Å; F415-L514 WeakPolarHBondContact O-CB 3.42Å; F415-L514 WeakPolarHBondContact O-CG 3.28Å; F415-T516 HydrophobicContact CD2-CG2 4.05Å; F415-Q580 HydrophobicContact CE2-CB 4.5Å; F415-Q580 HydrophobicContact CZ-CB 4.48Å; F415-L619 HydrophobicContact CD2-CD2 4.04Å; F415-L619 HydrophobicContact CE2-CD2 3.68Å; F415-L619 HydrophobicContact CZ-CD2 4.11Å; F415-L621 HydrophobicContact CD1-CD2 4.37Å; F415-L621 HydrophobicContact CE1-CD1 3.62Å; F415-L621 HydrophobicContact CE1-CD2 3.82Å; F415-L621 HydrophobicContact CE1-CG 4.39Å; F415-L621 HydrophobicContact CZ-CD1 3.93Å; F415-L621 HydrophobicContact CZ-CD2 4.2Å
416	V	98.9	Very high	98.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.3	172.9	176.1	0	0	0	0	108.6	F406 V409 Q411 Y418 V477 I511 F512	F406-V416 HydrophobicContact CD1-CG2 4.22Å; F406-V416 HydrophobicContact CD2-CB 4.04Å; F406-V416 HydrophobicContact CD2-CG2 3.6Å; F406-V416 HydrophobicContact CE1-CG2 4.03Å; F406-V416 HydrophobicContact CE2-CB 3.53Å; F406-V416 HydrophobicContact CE2-CG2 3.41Å; F406-V416 VanDerWaalsContact CE2-CG2 3.41Å; F406-V416 HydrophobicContact CG-CG2 4.04Å; F406-V416 HydrophobicContact CZ-CB 3.98Å; F406-V416 HydrophobicContact CZ-CG2 3.64Å; V409-V416 HydrophobicContact CG2-CG1 4.33Å; V409-V416 HydrophobicContact CG2-CG2 4.2Å; Q411-V416 HydrophobicContact CB-CG2 4.28Å; Q411-V416 HydrophobicContact CG-CG2 4.37Å; V416-Y418 HydrophobicContact CB-CD2 4.46Å; V416-Y418 HydrophobicContact CB-CE2 3.81Å; V416-Y418 HydrophobicContact CG1-CD2 4.03Å; V416-Y418 HydrophobicContact CG1-CE2 3.53Å; V416-V477 PolarHBondContact N-O 3.48Å; V416-V477 PolarHBondContact O-N 3.2Å; V416-I511 HydrophobicContact CG1-CG2 3.45Å; V416-I511 VanDerWaalsContact CG1-CG2 3.45Å; V416-F512 WeakPolarHBondContact CG1-O 3.44Å
417	L	98.9	Very high	97.7	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.8	173.9	-179.1	71	0	0	0	110.5	L389 D474 L476 I511 F512 L514	L389-L417 HydrophobicContact CD1-CD2 3.75Å; L389-L417 HydrophobicContact CD2-CD2 3.71Å; L389-L417 HydrophobicContact CG-CD2 4.29Å; L417-D474 HydrophobicContact CD1-CB 3.98Å; L417-L476 HydrophobicContact CB-CD1 4.38Å; L417-L476 HydrophobicContact CD1-CB 4.18Å; L417-I511 WeakPolarHBondContact O-CA 3.39Å; L417-F512 HydrophobicContact CB-CB 4.23Å; L417-F512 HydrophobicContact CB-CD2 4.4Å; L417-F512 HydrophobicContact CD2-CD2 4.15Å; L417-F512 HydrophobicContact CG-CD2 4.41Å; L417-F512 PolarHBondContact N-O 3.1Å; L417-F512 PolarHBondContact O-N 2.99Å; L417-L514 HydrophobicContact CB-CD1 4.37Å; L417-L514 HydrophobicContact CB-CD2 4.44Å
418	Y	98.9	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.7	173.9	-66.2	-102.5	0	0	0	109.5	P403 L404 F406 V416 L475 V477 G494 L495 I511	P403-Y418 HydrophobicContact CB-CD1 4.39Å; P403-Y418 HydrophobicContact CB-CE1 4.29Å; L404-Y418 WeakPolarHBondContact O-CE1 3.2Å; L404-Y418 PolarHBondContact O-OH 3.17Å; F406-Y418 HydrophobicContact CE2-CE2 4.47Å; V416-Y418 HydrophobicContact CB-CD2 4.46Å; V416-Y418 HydrophobicContact CB-CE2 3.81Å; V416-Y418 HydrophobicContact CG1-CD2 4.03Å; V416-Y418 HydrophobicContact CG1-CE2 3.53Å; Y418-L475 PolarHBondContact N-O 3.37Å; Y418-L475 PolarHBondContact O-N 3.33Å; Y418-V477 HydrophobicContact CD2-CB 4.13Å; Y418-V477 HydrophobicContact CD2-CG2 3.53Å; Y418-V477 HydrophobicContact CE2-CB 3.91Å; Y418-V477 HydrophobicContact CE2-CG2 3.69Å; Y418-G494 WeakPolarHBondContact OH-CA 3.12Å; Y418-L495 HydrophobicContact CD1-CB 4.31Å; Y418-L495 HydrophobicContact CD1-CD1 3.64Å; Y418-L495 HydrophobicContact CD1-CG 3.95Å; Y418-L495 HydrophobicContact CD2-CD1 4.27Å; Y418-L495 HydrophobicContact CD2-CG 4.13Å; Y418-L495 HydrophobicContact CE1-CB 3.99Å; Y418-L495 HydrophobicContact CE1-CD1 4.18Å; Y418-L495 HydrophobicContact CE1-CG 4.01Å; Y418-L495 HydrophobicContact CE2-CG 4.19Å; Y418-L495 HydrophobicContact CG-CD1 3.69Å; Y418-L495 HydrophobicContact CG-CG 4.01Å; Y418-L495 PolarHBondContact OH-N 3.12Å; Y418-I511 HydrophobicContact CD1-CD1 4.05Å; Y418-I511 HydrophobicContact CD1-CG1 3.91Å; Y418-I511 HydrophobicContact CD1-CG2 3.88Å; Y418-I511 HydrophobicContact CE1-CD1 3.97Å; Y418-I511 HydrophobicContact CE1-CG1 4.25Å; Y418-I511 HydrophobicContact CE1-CG2 3.79Å; Y418-I511 HydrophobicContact CG-CG2 4.33Å
419	R	98.9	Very high	97	Very high	67 Å²	67	42 Å²	42	25%	0.253	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	-179	-178.3	169.7	-72.4	174.5	-3.9	111.4	T472 L473 D474 W509 T510 F512	R419-T472 HydrophobicContact CG-CG2 3.75Å; R419-L473 WeakPolarHBondContact CA-O 3.39Å; R419-D474 VanDerWaalsContact CB-OD1 3.31Å; R419-D474 WeakPolarHBondContact CB-OD1 3.25Å; R419-D474 WeakPolarHBondContact CG-OD1 3.25Å; R419-D474 IonicContact CZ-OD1 3.68Å; R419-D474 IonicContact CZ-OD2 2.65Å; R419-D474 IonicContact NE-OD1 2.72Å; R419-D474 PolarHBondContact NE-OD1 2.77Å; R419-D474 IonicContact NE-OD2 3.16Å; R419-D474 IonicContact NH2-OD1 3.42Å; R419-D474 PolarHBondContact NH2-OD1 3.29Å; R419-D474 IonicContact NH2-OD2 2.72Å; R419-D474 PolarHBondContact NH2-OD2 2.78Å; R419-W509 WeakPolarHBondContact O-CA 3.38Å; R419-T510 WeakPolarHBondContact CB-O 3.47Å; R419-T510 PolarHBondContact N-O 2.86Å; R419-T510 PolarHBondContact O-N 3.34Å; R419-F512 HydrophobicContact CB-CE2 4.14Å
420	T	98.8	Very high	96.9	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-174.6	165.5	-173.6	0	0	0	0	109.5	L473 L506 T507 W509	T420-L473 HydrophobicContact CG2-CB 4.16Å; T420-L473 HydrophobicContact CG2-CD2 4.02Å; T420-L473 HydrophobicContact CG2-CG 4.33Å; T420-L473 PolarHBondContact N-O 2.95Å; T420-L473 PolarHBondContact O-N 2.71Å; T420-L506 HydrophobicContact CG2-CD1 4.48Å; T420-T507 PolarHBondContact OG1-O 2.93Å; T420-W509 HydrophobicContact CG2-CD2 4.47Å; T420-W509 HydrophobicContact CG2-CE3 4.15Å; T420-W509 HydrophobicContact CG2-CH2 3.66Å; T420-W509 HydrophobicContact CG2-CZ2 4.01Å; T420-W509 HydrophobicContact CG2-CZ3 3.73Å
421	T	98.6	Very high	96.9	Very high	81 Å²	81	39.7 Å²	39.7	50%	0.497	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.1	176.1	54.3	0	0	0	0	110.8	P423 A471	T421-P423 WeakPolarHBondContact O-CD 3.45Å; T421-A471 CarbonylContact C-O 3.58Å; T421-A471 VanDerWaalsContact CA-O 3.27Å; T421-A471 WeakPolarHBondContact CA-O 3.42Å
422	L	98.4	Very high	96.9	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.22	C	C	.	.			trans	-62.4	120.1	176.3	-62.5	-170.2	0	0	0	110.7	Q424 C426 V447 I465 G470 A471 L473 L501	L422-Q424 VanDerWaalsContact C-N 3.27Å; L422-Q424 PolarHBondContact O-N 2.76Å; L422-C426 HydrophobicContact CD1-CB 4.19Å; L422-V447 HydrophobicContact CD1-CG1 3.91Å; L422-I465 HydrophobicContact CD2-CD1 3.8Å; L422-G470 PolarHBondContact O-N 2.84Å; L422-A471 HydrophobicContact CD1-CB 4.08Å; L422-A471 HydrophobicContact CG-CB 4.22Å; L422-A471 PolarHBondContact N-O 2.81Å; L422-L473 HydrophobicContact CD2-CB 3.9Å; L422-L473 HydrophobicContact CD2-CD2 3.98Å; L422-L473 HydrophobicContact CD2-CG 4.42Å; L422-L501 HydrophobicContact CD2-CD2 3.98Å
423	P	97.4	Very high	96.9	Very high	93 Å²	93	39.1 Å²	39.1	60%	0.604	23%	0.225	S	C	*	.	S	Bend	trans	-76.6	-13.7	-176.7	31.6	-37	0	0	0	113.5	T421 L501 L506	T421-P423 WeakPolarHBondContact O-CD 3.45Å; P423-L501 HydrophobicContact CG-CD2 4.37Å; P423-L506 HydrophobicContact CG-CD2 4.01Å
424	Q	95.5	Very high	96.9	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	22%	0.217	S	C	.	.	S	Bend	trans	-140.3	166.7	-178	69	-175.2	22.6	0	0	110.5	L422 A469 L501	L422-Q424 VanDerWaalsContact C-N 3.27Å; L422-Q424 PolarHBondContact O-N 2.76Å; Q424-A469 WeakPolarHBondContact O-CA 3.5Å; Q424-L501 HydrophobicContact CG-CD2 4.4Å
425	D	95.1	Very high	96.8	Very high	86 Å²	86	40.1 Å²	40.1	46%	0.46	24%	0.236	S	C	.	.			trans	-77.4	124.8	176.4	-167.4	71	0	0	0	111	S427 K468 A469	D425-S427 WeakPolarHBondContact OD2-CB 3.48Å; D425-S427 PolarHBondContact OD2-N 3.06Å; D425-S427 PolarHBondContact OD2-OG 2.7Å; D425-K468 WeakPolarHBondContact OD1-CA 3.37Å; D425-A469 HydrophobicContact CB-CB 4.33Å; D425-A469 PolarHBondContact OD1-N 3.26Å
426	C	95	Very high	96.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	40.6	179	-66.3	0	0	0	0	110.4	L422 N428 T430 T466 G467	L422-C426 HydrophobicContact CD1-CB 4.19Å; C426-N428 CarbonylContact C-O 3.59Å; C426-N428 PolarHBondContact O-N 2.9Å; C426-T430 WeakPolarHBondContact CB-OG1 3.45Å; C426-T430 VanDerWaalsContact SG-CB 3.59Å; C426-T430 PolarHBondContact SG-OG1 2.75Å; C426-T430 VanDerWaalsContact SG-OG1 3.33Å; C426-T466 CarbonylContact O-C 3.57Å; C426-T466 WeakPolarHBondContact O-CA 3.25Å; C426-T466 WeakPolarHBondContact O-CB 3.32Å; C426-G467 CarbonylContact C-O 3.52Å; C426-G467 WeakPolarHBondContact CA-O 3.46Å; C426-G467 WeakPolarHBondContact CB-O 3.48Å; C426-G467 PolarHBondContact N-O 2.75Å; C426-G467 PolarHBondContact O-N 3Å
427	S	89	Confident	96.7	Very high	83 Å²	83	50 Å²	50	58%	0.58	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	-29	170	-65.8	0	0	0	0	111.8	D425 G467	D425-S427 WeakPolarHBondContact OD2-CB 3.48Å; D425-S427 PolarHBondContact OD2-N 3.06Å; D425-S427 PolarHBondContact OD2-OG 2.7Å; S427-G467 PolarHBondContact N-O 2.92Å
428	N	90.1	Very high	96.7	Very high	135 Å²	135	49.8 Å²	49.8	72%	0.722	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.3	166.6	-68.5	-38.4	0	0	0	110.7	C426 T430	C426-N428 CarbonylContact C-O 3.59Å; C426-N428 PolarHBondContact O-N 2.9Å; N428-T430 PolarHBondContact O-N 3.38Å; N428-T430 PolarHBondContact O-OG1 3.14Å
429	S	92.4	Very high	96.7	Very high	78 Å²	78	50 Å²	50	55%	0.545	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	107.9	175.2	-162	0	0	0	0	111.2	N464	S429-N464 VanDerWaalsContact OG-CB 3.26Å; S429-N464 WeakPolarHBondContact OG-CB 3.34Å; S429-N464 PolarHBondContact OG-ND2 2.85Å
430	T	96.8	Very high	96.7	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.2	-171.4	-56.4	0	0	0	0	110.5	C426 N428 L432 N464 I465 L501 D502	C426-T430 WeakPolarHBondContact CB-OG1 3.45Å; C426-T430 VanDerWaalsContact SG-CB 3.59Å; C426-T430 PolarHBondContact SG-OG1 2.75Å; C426-T430 VanDerWaalsContact SG-OG1 3.33Å; N428-T430 PolarHBondContact O-N 3.38Å; N428-T430 PolarHBondContact O-OG1 3.14Å; T430-L432 PolarHBondContact O-N 3.43Å; T430-N464 CarbonylContact O-C 3.52Å; T430-N464 WeakPolarHBondContact O-CA 3.22Å; T430-I465 PolarHBondContact N-O 3.32Å; T430-I465 PolarHBondContact O-N 3.41Å; T430-L501 HydrophobicContact CG2-CD1 3.63Å; T430-L501 HydrophobicContact CG2-CG 3.91Å; T430-D502 HydrophobicContact CG2-CB 3.89Å
431	P	98	Very high	96.7	Very high	44 Å²	44	47.9 Å²	47.9	29%	0.286	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.9	-176	29.1	-33.6	0	0	0	112.1	T462 L501 D502	P431-T462 HydrophobicContact CB-CG2 3.85Å; P431-L501 WeakPolarHBondContact O-CA 3.32Å; P431-D502 PolarHBondContact O-N 3.42Å
432	L	98.7	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.5	161.9	176.5	68.1	0	0	0	108.4	T430 V445 L455 T462 L463 I465 L473 L475 L499 T500 L501 L506	T430-L432 PolarHBondContact O-N 3.43Å; L432-V445 HydrophobicContact CD2-CG1 3.87Å; L432-V445 HydrophobicContact CD2-CG2 4.42Å; L432-L455 HydrophobicContact CD2-CD1 4.47Å; L432-T462 CarbonylContact O-C 3.56Å; L432-T462 VanDerWaalsContact O-CA 3.31Å; L432-T462 WeakPolarHBondContact O-CA 3.47Å; L432-L463 WeakPolarHBondContact CA-O 3.33Å; L432-L463 WeakPolarHBondContact CB-O 3.15Å; L432-L463 PolarHBondContact N-O 2.78Å; L432-L463 PolarHBondContact O-N 2.77Å; L432-L463 VanDerWaalsContact O-O 3.12Å; L432-I465 HydrophobicContact CB-CD1 4.18Å; L432-I465 HydrophobicContact CB-CG1 4.31Å; L432-I465 HydrophobicContact CB-CG2 4.08Å; L432-I465 HydrophobicContact CD2-CD1 4.43Å; L432-I465 HydrophobicContact CD2-CG2 4.17Å; L432-L473 HydrophobicContact CD1-CD2 4.12Å; L432-L473 HydrophobicContact CD2-CD1 4.18Å; L432-L473 HydrophobicContact CD2-CD2 4.36Å; L432-L475 HydrophobicContact CD2-CD2 4.36Å; L432-L499 HydrophobicContact CD1-CB 4.36Å; L432-L499 HydrophobicContact CD1-CD1 4.46Å; L432-T500 CarbonylContact C-O 3.48Å; L432-T500 WeakPolarHBondContact CA-O 3.43Å; L432-L501 HydrophobicContact CB-CD1 4.34Å; L432-L506 HydrophobicContact CD1-CD1 3.53Å
433	S	98.7	Very high	96.7	Very high	17 Å²	17	44.4 Å²	44.4	12%	0.119	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.8	-174	-166.1	0	0	0	0	113.5	P435 I461 T462 L499 T500	S433-P435 WeakPolarHBondContact O-CD 3.38Å; S433-I461 CarbonylContact C-O 3.53Å; S433-I461 VanDerWaalsContact CA-O 3.3Å; S433-I461 WeakPolarHBondContact CA-O 3.28Å; S433-I461 PolarHBondContact OG-O 3.24Å; S433-T462 WeakPolarHBondContact CB-OG1 3.5Å; S433-T462 PolarHBondContact OG-OG1 3.38Å; S433-L499 CarbonylContact O-C 3.08Å; S433-L499 VanDerWaalsContact O-CA 3.29Å; S433-L499 WeakPolarHBondContact O-CA 3.34Å; S433-T500 PolarHBondContact N-O 3.22Å; S433-T500 PolarHBondContact O-N 3.25Å
434	S	98.4	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	23%	0.225	C	C	.	.			trans	-108.7	87.7	162.5	-167	0	0	0	0	108.4	F436 N437 G438 I461 L499	S434-F436 PolarHBondContact O-N 3.47Å; S434-F436 VanDerWaalsContact O-N 3.08Å; S434-N437 PolarHBondContact O-N 3.14Å; S434-G438 WeakPolarHBondContact OG-CA 3.35Å; S434-G438 PolarHBondContact OG-N 2.82Å; S434-I461 PolarHBondContact N-O 2.95Å; S434-L499 VanDerWaalsContact CB-CD2 3.46Å
435	P	97.6	Very high	96.9	Very high	63 Å²	63	37.4 Å²	37.4	41%	0.409	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.8	-168.8	23.6	-34.5	0	0	0	113.9	S433 T500	S433-P435 WeakPolarHBondContact O-CD 3.38Å; P435-T500 HydrophobicContact CG-CG2 4.14Å
436	F	97.8	Very high	97.1	Very high	168 Å²	168	33.7 Å²	33.7	74%	0.737	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	17.3	175.8	-57.5	-71.3	0	0	0	113.4	S434 G438	S434-F436 PolarHBondContact O-N 3.47Å; S434-F436 VanDerWaalsContact O-N 3.08Å; F436-G438 VanDerWaalsContact C-N 3.31Å; F436-G438 PolarHBondContact O-N 2.89Å
437	N	97.8	Very high	97.2	Very high	41 Å²	41	33.9 Å²	33.9	22%	0.219	19%	0.193	C	C	.	.			trans	56.1	45.3	178.3	-177.8	39.4	0	0	0	112.3	S434 H440 N458 I461	S434-N437 PolarHBondContact O-N 3.14Å; N437-H440 PolarHBondContact O-CD2 3.12Å; N437-H440 PolarHBondContact O-NE2 2.83Å; N437-N458 PolarHBondContact ND2-OD1 2.87Å; N437-N458 PolarHBondContact OD1-N 2.87Å; N437-I461 HydrophobicContact CB-CG2 4.02Å; N437-I461 WeakPolarHBondContact OD1-CG2 3.26Å
438	G	98.1	Very high	97.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	19%	0.189	C	C	.	.			trans	-99	13.9	-172.3	0	0	0	0	0	115.5	S434 F436 H440 L495 V496 S497	S434-G438 WeakPolarHBondContact OG-CA 3.35Å; S434-G438 PolarHBondContact OG-N 2.82Å; F436-G438 VanDerWaalsContact C-N 3.31Å; F436-G438 PolarHBondContact O-N 2.89Å; G438-H440 PolarHBondContact O-N 2.8Å; G438-L495 CarbonylContact O-C 3.56Å; G438-L495 WeakPolarHBondContact O-CA 3.34Å; G438-V496 PolarHBondContact O-N 3.28Å; G438-S497 WeakPolarHBondContact CA-OG 3.49Å
439	V	98.9	Very high	97.9	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	98.4	167	173.4	0	0	0	0	107.8	A443 L455 R457 L495 L499	V439-A443 HydrophobicContact CG1-CB 3.6Å; V439-L455 HydrophobicContact CB-CB 4.47Å; V439-L455 HydrophobicContact CG1-CB 4.2Å; V439-L455 HydrophobicContact CG2-CB 4.09Å; V439-L455 HydrophobicContact CG2-CD1 4.02Å; V439-R457 WeakPolarHBondContact O-CB 3.41Å; V439-L495 HydrophobicContact CG2-CD2 3.89Å; V439-L499 HydrophobicContact CG2-CD2 4.22Å
440	H	98.9	Very high	98.1	Very high	28 Å²	28	27.7 Å²	27.7	13%	0.13	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	92.4	-176.5	-72.7	-164	0	0	0	109.5	N437 G438 R457 D491 K493 G494 V496	N437-H440 PolarHBondContact O-CD2 3.12Å; N437-H440 PolarHBondContact O-NE2 2.83Å; G438-H440 PolarHBondContact O-N 2.8Å; H440-R457 PolarHBondContact CE1-NH2 3.37Å; H440-R457 VanDerWaalsContact CE1-NH2 3.32Å; H440-R457 PolarHBondContact ND1-NH2 3.02Å; H440-D491 IonicContact ND1-OD1 3.74Å; H440-K493 HydrophobicContact CB-CD 4.35Å; H440-K493 WeakPolarHBondContact O-CA 3.46Å; H440-G494 PolarHBondContact N-O 2.74Å; H440-G494 PolarHBondContact O-N 3.12Å; H440-V496 HydrophobicContact CB-CG1 4.18Å
441	D	98.8	Very high	98.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	S	Bend	cis	-123.5	-27.7	16.4	-53.2	-60.3	0	0	0	115.6	Y324 R457 E478 M480 K493	Y324-D441 HydrophobicContact CD1-CB 4.44Å; Y324-D441 HydrophobicContact CE1-CB 3.72Å; Y324-D441 WeakPolarHBondContact CE2-OD1 3.42Å; Y324-D441 PolarHBondContact OH-OD2 3.44Å; D441-R457 WeakPolarHBondContact O-CB 3.31Å; D441-R457 PolarHBondContact O-N 2.85Å; D441-R457 VanDerWaalsContact OD1-CD 3.29Å; D441-R457 WeakPolarHBondContact OD1-CD 3.41Å; D441-R457 IonicContact OD1-CZ 3.62Å; D441-R457 IonicContact OD1-NE 3.65Å; D441-R457 IonicContact OD1-NH1 2.6Å; D441-R457 PolarHBondContact OD1-NH1 2.94Å; D441-E478 PolarHBondContact N-O 2.81Å; D441-M480 HydrophobicContact CB-CB 3.87Å; D441-M480 HydrophobicContact CB-CG 3.97Å; D441-M480 HydrophobicContact CB-SD 3.91Å; D441-M480 PolarHBondContact OD2-N 2.8Å; D441-K493 IonicContact OD1-NZ 2.73Å; D441-K493 PolarHBondContact OD1-NZ 2.81Å; D441-K493 WeakPolarHBondContact OD2-CD 3.39Å; D441-K493 WeakPolarHBondContact OD2-CE 3.39Å; D441-K493 IonicContact OD2-NZ 2.82Å; D441-K493 PolarHBondContact OD2-NZ 3.41Å
442	R	98.8	Very high	98.1	Very high	11 Å²	11	27.4 Å²	27.4	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	134.4	-177.5	-166.7	169.3	-174	77.5	-2.4	109.2	Y444 V454 L455 E456 V477 E478 M480 E622	R442-Y444 WeakPolarHBondContact CD-OH 3.34Å; R442-Y444 HydrophobicContact CG-CE1 4.17Å; R442-V454 HydrophobicContact CG-CG1 3.49Å; R442-V454 VanDerWaalsContact CG-CG1 3.49Å; R442-L455 CarbonylContact C-O 3.56Å; R442-L455 WeakPolarHBondContact CA-O 3.11Å; R442-E456 IonicContact CZ-OE2 3.86Å; R442-E456 IonicContact NH1-OE1 3.79Å; R442-E456 IonicContact NH1-OE2 2.73Å; R442-E456 PolarHBondContact NH1-OE2 2.57Å; R442-V477 CarbonylContact O-C 3.52Å; R442-V477 WeakPolarHBondContact O-CA 3.35Å; R442-E478 PolarHBondContact O-N 3.4Å; R442-M480 HydrophobicContact CB-SD 3.71Å; R442-E622 IonicContact CZ-OE1 3.17Å; R442-E622 IonicContact NE-OE1 2.75Å; R442-E622 PolarHBondContact NE-OE1 2.89Å; R442-E622 VanDerWaalsContact NH2-CD 3.34Å; R442-E622 IonicContact NH2-OE1 2.79Å; R442-E622 PolarHBondContact NH2-OE1 3.06Å; R442-E622 IonicContact NH2-OE2 3.21Å; R442-E622 PolarHBondContact NH2-OE2 3.2Å
443	A	98.9	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.7	-179.8	0	0	0	0	0	111.6	V439 V454 L455 L475 L476 V477	V439-A443 HydrophobicContact CG1-CB 3.6Å; A443-V454 WeakPolarHBondContact O-CA 3.42Å; A443-L455 HydrophobicContact CB-CB 4.3Å; A443-L455 PolarHBondContact N-O 3.41Å; A443-L455 PolarHBondContact O-N 3.03Å; A443-L475 HydrophobicContact CB-CB 4.41Å; A443-L475 HydrophobicContact CB-CD2 4.16Å; A443-L476 CarbonylContact C-O 3.56Å; A443-L476 WeakPolarHBondContact CA-O 3.43Å; A443-V477 HydrophobicContact CB-CG2 3.96Å
444	Y	98.8	Very high	98	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.1	175.5	-48.6	-76.9	0	0	0	108.7	R442 V454 L475 L476 E478 P549 K578 L621 E622	R442-Y444 WeakPolarHBondContact CD-OH 3.34Å; R442-Y444 HydrophobicContact CG-CE1 4.17Å; Y444-V454 HydrophobicContact CD1-CG1 4.34Å; Y444-V454 HydrophobicContact CD1-CG2 3.85Å; Y444-V454 HydrophobicContact CE1-CG1 4.32Å; Y444-V454 HydrophobicContact CE1-CG2 4.23Å; Y444-L475 WeakPolarHBondContact O-CA 3.45Å; Y444-L476 HydrophobicContact CD2-CB 4.26Å; Y444-L476 HydrophobicContact CD2-CD2 4.25Å; Y444-L476 HydrophobicContact CD2-CG 4.27Å; Y444-L476 VanDerWaalsContact CD2-O 3.25Å; Y444-L476 WeakPolarHBondContact CD2-O 3.49Å; Y444-L476 PolarHBondContact N-O 2.65Å; Y444-L476 PolarHBondContact O-N 2.65Å; Y444-E478 HydrophobicContact CE2-CB 4.31Å; Y444-E478 PolarHBondContact OH-OE2 3.05Å; Y444-E478 VanDerWaalsContact OH-OE2 3.04Å; Y444-P549 HydrophobicContact CG-CG 4.41Å; Y444-K578 WeakPolarHBondContact OH-CD 3.43Å; Y444-L621 HydrophobicContact CD1-CB 4.08Å; Y444-L621 WeakPolarHBondContact CD1-O 3.33Å; Y444-L621 HydrophobicContact CD2-CB 4.19Å; Y444-L621 HydrophobicContact CD2-CD2 4.38Å; Y444-L621 HydrophobicContact CE1-CB 3.67Å; Y444-L621 HydrophobicContact CE2-CB 3.78Å; Y444-L621 HydrophobicContact CE2-CD1 3.84Å; Y444-L621 HydrophobicContact CE2-CD2 4.1Å; Y444-L621 HydrophobicContact CE2-CG 4.12Å; Y444-L621 HydrophobicContact CG-CB 4.33Å; Y444-L621 VanDerWaalsContact CZ-CB 3.48Å; Y444-L621 WeakPolarHBondContact OH-CD1 3.4Å; Y444-E622 HydrophobicContact CD1-CG 3.9Å; Y444-E622 HydrophobicContact CE1-CG 3.47Å; Y444-E622 VanDerWaalsContact CE1-CG 3.47Å
445	V	98.8	Very high	98	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132	-168.1	-173.8	0	0	0	0	110.8	L432 Q452 G453 L455 L463 I465 L473 D474 L475	L432-V445 HydrophobicContact CD2-CG1 3.87Å; L432-V445 HydrophobicContact CD2-CG2 4.42Å; V445-Q452 HydrophobicContact CB-CB 4.3Å; V445-Q452 HydrophobicContact CG1-CB 4.14Å; V445-Q452 HydrophobicContact CG1-CG 4.27Å; V445-Q452 PolarHBondContact O-N 3.27Å; V445-G453 PolarHBondContact N-O 2.84Å; V445-L455 HydrophobicContact CG2-CD1 4.33Å; V445-L455 HydrophobicContact CG2-CG 4.35Å; V445-L463 HydrophobicContact CB-CD2 3.83Å; V445-L463 HydrophobicContact CG1-CD2 4.31Å; V445-L463 HydrophobicContact CG2-CD2 3.86Å; V445-I465 HydrophobicContact CG1-CG2 4.17Å; V445-L473 HydrophobicContact CG1-CD1 3.77Å; V445-D474 WeakPolarHBondContact CA-O 3.41Å; V445-L475 HydrophobicContact CG2-CD2 4Å; V445-L475 HydrophobicContact CG2-CG 4.18Å
446	A	98.6	Very high	98	Very high	7 Å²	7	25.6 Å²	25.6	6%	0.058	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.8	172.5	0	0	0	0	0	111.6	I450 D474 L548	A446-I450 CarbonylContact C-O 3.49Å; A446-I450 VanDerWaalsContact CA-O 3.28Å; A446-I450 WeakPolarHBondContact CA-O 3.49Å; A446-D474 HydrophobicContact CB-CB 4.48Å; A446-D474 PolarHBondContact N-O 2.89Å; A446-D474 PolarHBondContact O-N 2.89Å; A446-L548 HydrophobicContact CB-CD2 3.74Å
447	V	98.4	Very high	98.1	Very high	4 Å²	4	19 Å²	19	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.2	175.2	177.4	0	0	0	0	109.4	L422 G449 I450 Q452 I465 T466 A471 T472 L473	L422-V447 HydrophobicContact CD1-CG1 3.91Å; V447-G449 PolarHBondContact O-N 2.85Å; V447-G449 VanDerWaalsContact O-N 3.14Å; V447-I450 PolarHBondContact N-O 2.99Å; V447-I450 WeakPolarHBondContact O-CB 3.37Å; V447-I450 PolarHBondContact O-N 2.97Å; V447-Q452 HydrophobicContact CB-CG 4.25Å; V447-Q452 HydrophobicContact CG2-CG 3.8Å; V447-I465 HydrophobicContact CG2-CB 4.33Å; V447-I465 HydrophobicContact CG2-CD1 4.07Å; V447-T466 WeakPolarHBondContact CG1-O 3.3Å; V447-A471 HydrophobicContact CG1-CB 3.83Å; V447-T472 CarbonylContact C-O 3.58Å; V447-T472 VanDerWaalsContact CA-O 3.27Å; V447-T472 WeakPolarHBondContact CA-O 3.35Å; V447-L473 HydrophobicContact CG2-CD1 3.81Å
448	D	97.3	Very high	98	Very high	92 Å²	92	20.9 Å²	20.9	49%	0.492	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	45	40.1	-168.6	-75.1	-20.8	0	0	0	112.5	I450 A471 T472	D448-I450 VanDerWaalsContact C-N 3.27Å; D448-I450 PolarHBondContact O-N 3.35Å; D448-A471 WeakPolarHBondContact OD1-CA 3.47Å; D448-A471 WeakPolarHBondContact OD2-CB 3.33Å; D448-T472 PolarHBondContact N-O 2.86Å; D448-T472 PolarHBondContact OD1-N 3.41Å
449	G	95.8	Very high	97.9	Very high	18 Å²	18	27.5 Å²	27.5	19%	0.186	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-8.5	-176.9	0	0	0	0	0	115.5	V447 P451 W539 L548	V447-G449 PolarHBondContact O-N 2.85Å; V447-G449 VanDerWaalsContact O-N 3.14Å; G449-P451 WeakPolarHBondContact O-CD 3.19Å; G449-W539 WeakPolarHBondContact O-CZ3 3.37Å; G449-L548 VanDerWaalsContact O-CD1 3.24Å; G449-L548 WeakPolarHBondContact O-CD1 3.49Å; G449-L548 WeakPolarHBondContact O-CD2 3.34Å; G449-L548 WeakPolarHBondContact O-CG 3.45Å
450	I	96.6	Very high	97.8	Very high	57 Å²	57	30 Å²	30	29%	0.292	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.3	177	-52.7	-57.3	0	0	0	110.2	A446 V447 D448 Q452 W539	A446-I450 CarbonylContact C-O 3.49Å; A446-I450 VanDerWaalsContact CA-O 3.28Å; A446-I450 WeakPolarHBondContact CA-O 3.49Å; V447-I450 PolarHBondContact N-O 2.99Å; V447-I450 WeakPolarHBondContact O-CB 3.37Å; V447-I450 PolarHBondContact O-N 2.97Å; D448-I450 VanDerWaalsContact C-N 3.27Å; D448-I450 PolarHBondContact O-N 3.35Å; I450-Q452 PolarHBondContact O-N 2.89Å; I450-Q452 PolarHBondContact O-NE2 3.36Å; I450-W539 HydrophobicContact CD1-CE3 3.99Å; I450-W539 HydrophobicContact CD1-CZ3 3.9Å
451	P	97.1	Very high	97.8	Very high	17 Å²	17	31.9 Å²	31.9	11%	0.11	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.8	177.5	-22.2	34.3	0	0	0	112.1	G449 S544 L548	G449-P451 WeakPolarHBondContact O-CD 3.19Å; P451-S544 WeakPolarHBondContact O-CB 3.32Å; P451-L548 HydrophobicContact CG-CD2 4.23Å; P451-L548 HydrophobicContact CG-CG 4.05Å
452	Q	97.3	Very high	97.7	Very high	34 Å²	34	34.8 Å²	34.8	16%	0.159	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-32.1	-180	-55.2	-62.6	-63.8	0	0	112.3	V445 V447 I450 L463 I465	V445-Q452 HydrophobicContact CB-CB 4.3Å; V445-Q452 HydrophobicContact CG1-CB 4.14Å; V445-Q452 HydrophobicContact CG1-CG 4.27Å; V445-Q452 PolarHBondContact O-N 3.27Å; V447-Q452 HydrophobicContact CB-CG 4.25Å; V447-Q452 HydrophobicContact CG2-CG 3.8Å; I450-Q452 PolarHBondContact O-N 2.89Å; I450-Q452 PolarHBondContact O-NE2 3.36Å; Q452-L463 HydrophobicContact CB-CD2 4.11Å; Q452-I465 HydrophobicContact CB-CG2 3.9Å; Q452-I465 HydrophobicContact CG-CB 4.13Å; Q452-I465 HydrophobicContact CG-CG2 3.9Å
453	G	96.6	Very high	97.7	Very high	5 Å²	5	35.7 Å²	35.7	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.2	-154.8	-176.3	0	0	0	0	0	112.4	V445	V445-G453 PolarHBondContact N-O 2.84Å
454	V	98.5	Very high	97.6	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.7	-170.6	-173.5	0	0	0	0	111.7	R442 A443 Y444 V460 Y546 E622	R442-V454 HydrophobicContact CG-CG1 3.49Å; R442-V454 VanDerWaalsContact CG-CG1 3.49Å; A443-V454 WeakPolarHBondContact O-CA 3.42Å; Y444-V454 HydrophobicContact CD1-CG1 4.34Å; Y444-V454 HydrophobicContact CD1-CG2 3.85Å; Y444-V454 HydrophobicContact CE1-CG1 4.32Å; Y444-V454 HydrophobicContact CE1-CG2 4.23Å; V454-V460 WeakPolarHBondContact O-CG1 3.33Å; V454-Y546 HydrophobicContact CG2-CD1 4.43Å; V454-Y546 HydrophobicContact CG2-CE1 3.82Å; V454-E622 HydrophobicContact CG2-CG 4.23Å
455	L	98.6	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.5	163.1	-63	168.8	0	0	0	109.2	L432 V439 R442 A443 V445 V460 L463 L475	L432-L455 HydrophobicContact CD2-CD1 4.47Å; V439-L455 HydrophobicContact CB-CB 4.47Å; V439-L455 HydrophobicContact CG1-CB 4.2Å; V439-L455 HydrophobicContact CG2-CB 4.09Å; V439-L455 HydrophobicContact CG2-CD1 4.02Å; R442-L455 CarbonylContact C-O 3.56Å; R442-L455 WeakPolarHBondContact CA-O 3.11Å; A443-L455 HydrophobicContact CB-CB 4.3Å; A443-L455 PolarHBondContact N-O 3.41Å; A443-L455 PolarHBondContact O-N 3.03Å; V445-L455 HydrophobicContact CG2-CD1 4.33Å; V445-L455 HydrophobicContact CG2-CG 4.35Å; L455-V460 CarbonylContact C-O 3.48Å; L455-V460 VanDerWaalsContact CA-O 3.3Å; L455-V460 WeakPolarHBondContact CA-O 3.37Å; L455-V460 HydrophobicContact CD2-CG1 4.48Å; L455-V460 WeakPolarHBondContact CD2-O 3.39Å; L455-L463 HydrophobicContact CD2-CB 3.68Å; L455-L463 HydrophobicContact CG-CB 4.26Å; L455-L475 HydrophobicContact CD1-CD2 4.2Å
456	E	98.4	Very high	97.5	Very high	25 Å²	25	42.1 Å²	42.1	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	127.1	-175.7	-177.1	174.7	-177.4	0	0	110.8	R442 N458 R459 V460 R595	R442-E456 IonicContact CZ-OE2 3.86Å; R442-E456 IonicContact NH1-OE1 3.79Å; R442-E456 IonicContact NH1-OE2 2.73Å; R442-E456 PolarHBondContact NH1-OE2 2.57Å; E456-N458 PolarHBondContact O-N 3.43Å; E456-R459 HydrophobicContact CB-CB 4.24Å; E456-R459 HydrophobicContact CG-CB 4.12Å; E456-R459 HydrophobicContact CG-CG 4.34Å; E456-R459 PolarHBondContact O-N 3.19Å; E456-R459 WeakPolarHBondContact OE1-CD 3.35Å; E456-R459 IonicContact OE1-CZ 3.49Å; E456-R459 IonicContact OE1-NE 2.77Å; E456-R459 IonicContact OE1-NH1 2.95Å; E456-V460 HydrophobicContact CB-CB 4.39Å; E456-V460 PolarHBondContact N-O 2.97Å; E456-V460 PolarHBondContact O-N 3.39Å; E456-R595 IonicContact OE1-NH1 3.67Å; E456-R595 PolarHBondContact OE1-NH1 3.11Å; E456-R595 VanDerWaalsContact OE1-NH1 3.14Å
457	R	98.4	Very high	97.3	Very high	30 Å²	30	42.6 Å²	42.6	11%	0.113	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	129.8	176.1	-169	173.6	-179.6	172.1	6.1	111.2	Y324 V439 H440 D441 R459 D491	Y324-R457 HydrophobicContact CD1-CB 4.44Å; Y324-R457 HydrophobicContact CG-CG 4.4Å; V439-R457 WeakPolarHBondContact O-CB 3.41Å; H440-R457 PolarHBondContact CE1-NH2 3.37Å; H440-R457 VanDerWaalsContact CE1-NH2 3.32Å; H440-R457 PolarHBondContact ND1-NH2 3.02Å; D441-R457 WeakPolarHBondContact O-CB 3.31Å; D441-R457 PolarHBondContact O-N 2.85Å; D441-R457 VanDerWaalsContact OD1-CD 3.29Å; D441-R457 WeakPolarHBondContact OD1-CD 3.41Å; D441-R457 IonicContact OD1-CZ 3.62Å; D441-R457 IonicContact OD1-NE 3.65Å; D441-R457 IonicContact OD1-NH1 2.6Å; D441-R457 PolarHBondContact OD1-NH1 2.94Å; R457-R459 PolarHBondContact O-N 2.81Å; R457-D491 IonicContact CZ-OD1 3.86Å; R457-D491 VanDerWaalsContact CZ-OD1 3.26Å; R457-D491 IonicContact NH1-OD1 2.83Å; R457-D491 PolarHBondContact NH1-OD1 2.82Å; R457-D491 IonicContact NH1-OD2 3.16Å; R457-D491 PolarHBondContact NH1-OD2 2.8Å; R457-D491 VanDerWaalsContact NH1-OD2 3.14Å; R457-D491 IonicContact NH2-OD1 2.77Å; R457-D491 PolarHBondContact NH2-OD1 3.18Å
458	N	96.1	Very high	97.3	Very high	80 Å²	80	49.6 Å²	49.6	43%	0.428	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-6.3	-177.3	-50.3	-29.9	0	0	0	116.6	Y324 N437 E456	Y324-N458 VanDerWaalsContact CB-ND2 3.29Å; Y324-N458 WeakPolarHBondContact CB-ND2 3.49Å; Y324-N458 PolarHBondContact N-ND2 2.7Å; N437-N458 PolarHBondContact ND2-OD1 2.87Å; N437-N458 PolarHBondContact OD1-N 2.87Å; E456-N458 PolarHBondContact O-N 3.43Å
459	R	95.5	Very high	97.3	Very high	141 Å²	141	48 Å²	48	53%	0.532	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-53.4	-173.6	-60.4	-164.7	-174.7	-169.7	-3.4	113.9	E456 R457 R595	E456-R459 HydrophobicContact CB-CB 4.24Å; E456-R459 HydrophobicContact CG-CB 4.12Å; E456-R459 HydrophobicContact CG-CG 4.34Å; E456-R459 PolarHBondContact O-N 3.19Å; E456-R459 WeakPolarHBondContact OE1-CD 3.35Å; E456-R459 IonicContact OE1-CZ 3.49Å; E456-R459 IonicContact OE1-NE 2.77Å; E456-R459 IonicContact OE1-NH1 2.95Å; R457-R459 PolarHBondContact O-N 2.81Å; R459-R595 VanDerWaalsContact NH1-NH1 3.19Å
460	V	97.7	Very high	97.4	Very high	57 Å²	57	49.6 Å²	49.6	35%	0.345	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-128.4	88.2	-175.3	-173.5	0	0	0	0	108.3	V454 L455 E456 T462	V454-V460 WeakPolarHBondContact O-CG1 3.33Å; L455-V460 CarbonylContact C-O 3.48Å; L455-V460 VanDerWaalsContact CA-O 3.3Å; L455-V460 WeakPolarHBondContact CA-O 3.37Å; L455-V460 HydrophobicContact CD2-CG1 4.48Å; L455-V460 WeakPolarHBondContact CD2-O 3.39Å; E456-V460 HydrophobicContact CB-CB 4.39Å; E456-V460 PolarHBondContact N-O 2.97Å; E456-V460 PolarHBondContact O-N 3.39Å; V460-T462 WeakPolarHBondContact CG1-O 3.43Å
461	I	98.1	Very high	97.4	Very high	67 Å²	67	47 Å²	47	34%	0.344	26%	0.263	S	S	.	.			trans	-90.6	-8.7	-179.8	67.3	170	0	0	0	113.5	S433 S434 N437	S433-I461 CarbonylContact C-O 3.53Å; S433-I461 VanDerWaalsContact CA-O 3.3Å; S433-I461 WeakPolarHBondContact CA-O 3.28Å; S433-I461 PolarHBondContact OG-O 3.24Å; S434-I461 PolarHBondContact N-O 2.95Å; N437-I461 HydrophobicContact CB-CG2 4.02Å; N437-I461 WeakPolarHBondContact OD1-CG2 3.26Å
462	T	98.4	Very high	97.5	Very high	61 Å²	61	48.4 Å²	48.4	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	134.7	178.3	-55.2	0	0	0	0	109.5	P431 L432 S433 V460	P431-T462 HydrophobicContact CB-CG2 3.85Å; L432-T462 CarbonylContact O-C 3.56Å; L432-T462 VanDerWaalsContact O-CA 3.31Å; L432-T462 WeakPolarHBondContact O-CA 3.47Å; S433-T462 WeakPolarHBondContact CB-OG1 3.5Å; S433-T462 PolarHBondContact OG-OG1 3.38Å; V460-T462 WeakPolarHBondContact CG1-O 3.43Å
463	L	97.3	Very high	97.6	Very high	29 Å²	29	46.8 Å²	46.8	15%	0.152	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.4	174.6	175.6	67.4	0	0	0	107.8	L432 V445 Q452 L455 I465	L432-L463 WeakPolarHBondContact CA-O 3.33Å; L432-L463 WeakPolarHBondContact CB-O 3.15Å; L432-L463 PolarHBondContact N-O 2.78Å; L432-L463 PolarHBondContact O-N 2.77Å; L432-L463 VanDerWaalsContact O-O 3.12Å; V445-L463 HydrophobicContact CB-CD2 3.83Å; V445-L463 HydrophobicContact CG1-CD2 4.31Å; V445-L463 HydrophobicContact CG2-CD2 3.86Å; Q452-L463 HydrophobicContact CB-CD2 4.11Å; L455-L463 HydrophobicContact CD2-CB 3.68Å; L455-L463 HydrophobicContact CG-CB 4.26Å; L463-I465 HydrophobicContact CD2-CG2 4.42Å; L463-I465 HydrophobicContact CG-CG2 4.41Å
464	N	97.6	Very high	97.7	Very high	83 Å²	83	47.5 Å²	47.5	44%	0.444	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134	172	-68.1	-4.5	0	0	0	109.9	S429 T430	S429-N464 VanDerWaalsContact OG-CB 3.26Å; S429-N464 WeakPolarHBondContact OG-CB 3.34Å; S429-N464 PolarHBondContact OG-ND2 2.85Å; T430-N464 CarbonylContact O-C 3.52Å; T430-N464 WeakPolarHBondContact O-CA 3.22Å
465	I	97.6	Very high	97.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	160.3	178.3	67.7	171.7	0	0	0	110.9	L422 T430 L432 V445 V447 Q452 L463 L473 L501	L422-I465 HydrophobicContact CD2-CD1 3.8Å; T430-I465 PolarHBondContact N-O 3.32Å; T430-I465 PolarHBondContact O-N 3.41Å; L432-I465 HydrophobicContact CB-CD1 4.18Å; L432-I465 HydrophobicContact CB-CG1 4.31Å; L432-I465 HydrophobicContact CB-CG2 4.08Å; L432-I465 HydrophobicContact CD2-CD1 4.43Å; L432-I465 HydrophobicContact CD2-CG2 4.17Å; V445-I465 HydrophobicContact CG1-CG2 4.17Å; V447-I465 HydrophobicContact CG2-CB 4.33Å; V447-I465 HydrophobicContact CG2-CD1 4.07Å; Q452-I465 HydrophobicContact CB-CG2 3.9Å; Q452-I465 HydrophobicContact CG-CB 4.13Å; Q452-I465 HydrophobicContact CG-CG2 3.9Å; L463-I465 HydrophobicContact CD2-CG2 4.42Å; L463-I465 HydrophobicContact CG-CG2 4.41Å; I465-L473 HydrophobicContact CD1-CD1 4.14Å; I465-L473 HydrophobicContact CD1-CD2 4.43Å; I465-L501 HydrophobicContact CD1-CD1 3.76Å; I465-L501 HydrophobicContact CG1-CD1 3.98Å
466	T	97.1	Very high	97.7	Very high	64 Å²	64	47.2 Å²	47.2	39%	0.393	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.2	168.4	56.8	0	0	0	0	111.6	C426 V447	C426-T466 CarbonylContact O-C 3.57Å; C426-T466 WeakPolarHBondContact O-CA 3.25Å; C426-T466 WeakPolarHBondContact O-CB 3.32Å; V447-T466 WeakPolarHBondContact CG1-O 3.3Å
467	G	96.1	Very high	97.8	Very high	18 Å²	18	46 Å²	46	19%	0.186	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.7	168.6	-178.5	0	0	0	0	0	112.7	C426 S427	C426-G467 CarbonylContact C-O 3.52Å; C426-G467 WeakPolarHBondContact CA-O 3.46Å; C426-G467 WeakPolarHBondContact CB-O 3.48Å; C426-G467 PolarHBondContact N-O 2.75Å; C426-G467 PolarHBondContact O-N 3Å; S427-G467 PolarHBondContact N-O 2.92Å
468	K	96.8	Very high	97.8	Very high	150 Å²	150	44.6 Å²	44.6	65%	0.652	25%	0.253	S	S	*	.			trans	-84.9	158	178.8	-68.8	-179.8	-178.9	174	0	111.9	D425 G470 A471	D425-K468 WeakPolarHBondContact OD1-CA 3.37Å; K468-G470 PolarHBondContact O-N 2.79Å; K468-A471 WeakPolarHBondContact O-CB 3.41Å; K468-A471 PolarHBondContact O-N 2.88Å
469	A	97.4	Very high	97.9	Very high	60 Å²	60	40.8 Å²	40.8	50%	0.496	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	131.8	166.7	0	0	0	0	0	110.5	Q424 D425 A471	Q424-A469 WeakPolarHBondContact O-CA 3.5Å; D425-A469 HydrophobicContact CB-CB 4.33Å; D425-A469 PolarHBondContact OD1-N 3.26Å; A469-A471 VanDerWaalsContact C-N 3.32Å
470	G	97.6	Very high	98.1	Very high	50 Å²	50	34.6 Å²	34.6	52%	0.515	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-5.6	-174.7	0	0	0	0	0	115.7	L422 K468	L422-G470 PolarHBondContact O-N 2.84Å; K468-G470 PolarHBondContact O-N 2.79Å
471	A	98.3	Very high	98.1	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-59.1	146.1	174.6	0	0	0	0	0	111.8	T421 L422 V447 D448 K468 A469 L473	T421-A471 CarbonylContact C-O 3.58Å; T421-A471 VanDerWaalsContact CA-O 3.27Å; T421-A471 WeakPolarHBondContact CA-O 3.42Å; L422-A471 HydrophobicContact CD1-CB 4.08Å; L422-A471 HydrophobicContact CG-CB 4.22Å; L422-A471 PolarHBondContact N-O 2.81Å; V447-A471 HydrophobicContact CG1-CB 3.83Å; D448-A471 WeakPolarHBondContact OD1-CA 3.47Å; D448-A471 WeakPolarHBondContact OD2-CB 3.33Å; K468-A471 WeakPolarHBondContact O-CB 3.41Å; K468-A471 PolarHBondContact O-N 2.88Å; A469-A471 VanDerWaalsContact C-N 3.32Å; A471-L473 PolarHBondContact O-N 2.83Å
472	T	98.7	Very high	98.2	Very high	47 Å²	47	28.7 Å²	28.7	29%	0.288	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	117.9	177.6	-55.4	0	0	0	0	109.7	R419 V447 D448	R419-T472 HydrophobicContact CG-CG2 3.75Å; V447-T472 CarbonylContact C-O 3.58Å; V447-T472 VanDerWaalsContact CA-O 3.27Å; V447-T472 WeakPolarHBondContact CA-O 3.35Å; D448-T472 PolarHBondContact N-O 2.86Å; D448-T472 PolarHBondContact OD1-N 3.41Å
473	L	98.8	Very high	98.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.5	170.9	171.9	61.4	0	0	0	109.1	R419 T420 L422 L432 V445 V447 I465 A471 L475 L506	R419-L473 WeakPolarHBondContact CA-O 3.39Å; T420-L473 HydrophobicContact CG2-CB 4.16Å; T420-L473 HydrophobicContact CG2-CD2 4.02Å; T420-L473 HydrophobicContact CG2-CG 4.33Å; T420-L473 PolarHBondContact N-O 2.95Å; T420-L473 PolarHBondContact O-N 2.71Å; L422-L473 HydrophobicContact CD2-CB 3.9Å; L422-L473 HydrophobicContact CD2-CD2 3.98Å; L422-L473 HydrophobicContact CD2-CG 4.42Å; L432-L473 HydrophobicContact CD1-CD2 4.12Å; L432-L473 HydrophobicContact CD2-CD1 4.18Å; L432-L473 HydrophobicContact CD2-CD2 4.36Å; V445-L473 HydrophobicContact CG1-CD1 3.77Å; V447-L473 HydrophobicContact CG2-CD1 3.81Å; I465-L473 HydrophobicContact CD1-CD1 4.14Å; I465-L473 HydrophobicContact CD1-CD2 4.43Å; A471-L473 PolarHBondContact O-N 2.83Å; L473-L475 HydrophobicContact CD1-CD1 4.2Å; L473-L475 HydrophobicContact CD2-CD1 4.29Å; L473-L475 HydrophobicContact CG-CD1 3.91Å; L473-L506 HydrophobicContact CD2-CD1 3.67Å
474	D	98.9	Very high	98.3	Very high	20 Å²	20	24.5 Å²	24.5	11%	0.107	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.2	178.3	-88	-17.1	0	0	0	110.9	L417 R419 V445 A446	L417-D474 HydrophobicContact CD1-CB 3.98Å; R419-D474 VanDerWaalsContact CB-OD1 3.31Å; R419-D474 WeakPolarHBondContact CB-OD1 3.25Å; R419-D474 WeakPolarHBondContact CG-OD1 3.25Å; R419-D474 IonicContact CZ-OD1 3.68Å; R419-D474 IonicContact CZ-OD2 2.65Å; R419-D474 IonicContact NE-OD1 2.72Å; R419-D474 PolarHBondContact NE-OD1 2.77Å; R419-D474 IonicContact NE-OD2 3.16Å; R419-D474 IonicContact NH2-OD1 3.42Å; R419-D474 PolarHBondContact NH2-OD1 3.29Å; R419-D474 IonicContact NH2-OD2 2.72Å; R419-D474 PolarHBondContact NH2-OD2 2.78Å; V445-D474 WeakPolarHBondContact CA-O 3.41Å; A446-D474 HydrophobicContact CB-CB 4.48Å; A446-D474 PolarHBondContact N-O 2.89Å; A446-D474 PolarHBondContact O-N 2.89Å
475	L	98.9	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	106.4	168.7	-62.4	96.2	0	0	0	109.5	Y418 L432 A443 Y444 V445 L455 L473 V477 L499 W509	Y418-L475 PolarHBondContact N-O 3.37Å; Y418-L475 PolarHBondContact O-N 3.33Å; L432-L475 HydrophobicContact CD2-CD2 4.36Å; A443-L475 HydrophobicContact CB-CB 4.41Å; A443-L475 HydrophobicContact CB-CD2 4.16Å; Y444-L475 WeakPolarHBondContact O-CA 3.45Å; V445-L475 HydrophobicContact CG2-CD2 4Å; V445-L475 HydrophobicContact CG2-CG 4.18Å; L455-L475 HydrophobicContact CD1-CD2 4.2Å; L473-L475 HydrophobicContact CD1-CD1 4.2Å; L473-L475 HydrophobicContact CD2-CD1 4.29Å; L473-L475 HydrophobicContact CG-CD1 3.91Å; L475-V477 HydrophobicContact CB-CG2 4.47Å; L475-V477 PolarHBondContact O-N 2.98Å; L475-L499 HydrophobicContact CD1-CD1 4.17Å; L475-L499 HydrophobicContact CD2-CD1 3.5Å; L475-W509 HydrophobicContact CD1-CH2 3.91Å; L475-W509 HydrophobicContact CD1-CZ3 3.93Å
476	L	98.9	Very high	98.3	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	110	169.3	-179.5	65.6	0	0	0	108.2	V385 F415 L417 A443 Y444 L514 P549 L621	V385-L476 HydrophobicContact CG1-CD1 4.11Å; V385-L476 HydrophobicContact CG1-CD2 4.35Å; V385-L476 HydrophobicContact CG2-CD2 4.1Å; F415-L476 HydrophobicContact CB-CD1 3.84Å; F415-L476 HydrophobicContact CB-CG 4.46Å; L417-L476 HydrophobicContact CB-CD1 4.38Å; L417-L476 HydrophobicContact CD1-CB 4.18Å; A443-L476 CarbonylContact C-O 3.56Å; A443-L476 WeakPolarHBondContact CA-O 3.43Å; Y444-L476 HydrophobicContact CD2-CB 4.26Å; Y444-L476 HydrophobicContact CD2-CD2 4.25Å; Y444-L476 HydrophobicContact CD2-CG 4.27Å; Y444-L476 VanDerWaalsContact CD2-O 3.25Å; Y444-L476 WeakPolarHBondContact CD2-O 3.49Å; Y444-L476 PolarHBondContact N-O 2.65Å; Y444-L476 PolarHBondContact O-N 2.65Å; L476-L514 HydrophobicContact CD1-CD1 3.48Å; L476-L514 VanDerWaalsContact CD1-CD1 3.48Å; L476-P549 HydrophobicContact CD2-CB 3.53Å; L476-P549 HydrophobicContact CD2-CG 3.8Å; L476-L621 HydrophobicContact CD2-CD2 4.02Å
477	V	98.9	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.6	-178.3	-174.4	0	0	0	0	110.2	F406 F415 V416 Y418 R442 A443 L475 L495	F406-V477 HydrophobicContact CE2-CB 4.3Å; F406-V477 HydrophobicContact CE2-CG1 4.22Å; F406-V477 WeakPolarHBondContact CZ-O 3.42Å; F415-V477 CarbonylContact C-O 3.57Å; F415-V477 VanDerWaalsContact CA-O 3.26Å; F415-V477 WeakPolarHBondContact CA-O 3.45Å; V416-V477 PolarHBondContact N-O 3.48Å; V416-V477 PolarHBondContact O-N 3.2Å; Y418-V477 HydrophobicContact CD2-CB 4.13Å; Y418-V477 HydrophobicContact CD2-CG2 3.53Å; Y418-V477 HydrophobicContact CE2-CB 3.91Å; Y418-V477 HydrophobicContact CE2-CG2 3.69Å; R442-V477 CarbonylContact O-C 3.52Å; R442-V477 WeakPolarHBondContact O-CA 3.35Å; A443-V477 HydrophobicContact CB-CG2 3.96Å; L475-V477 HydrophobicContact CB-CG2 4.47Å; L475-V477 PolarHBondContact O-N 2.98Å; V477-L495 HydrophobicContact CG2-CD2 3.9Å; V477-L495 HydrophobicContact CG2-CG 4.12Å
478	E	98.9	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.2	175.5	-179.4	-173.7	-175.4	0	0	111.3	F415 D441 R442 Y444 M480 K578 R590	F415-E478 HydrophobicContact CD1-CB 3.7Å; F415-E478 HydrophobicContact CD1-CG 3.93Å; F415-E478 HydrophobicContact CE1-CB 3.71Å; F415-E478 HydrophobicContact CE1-CG 3.52Å; F415-E478 HydrophobicContact CZ-CG 4.3Å; D441-E478 PolarHBondContact N-O 2.81Å; R442-E478 PolarHBondContact O-N 3.4Å; Y444-E478 HydrophobicContact CE2-CB 4.31Å; Y444-E478 PolarHBondContact OH-OE2 3.05Å; Y444-E478 VanDerWaalsContact OH-OE2 3.04Å; E478-M480 HydrophobicContact CB-CG 4.45Å; E478-M480 HydrophobicContact CG-CG 3.84Å; E478-M480 PolarHBondContact O-N 3.17Å; E478-M480 WeakPolarHBondContact OE2-CG 3.24Å; E478-K578 IonicContact OE1-NZ 3.92Å; E478-K578 PolarHBondContact OE1-NZ 3.01Å; E478-K578 IonicContact OE2-NZ 3.95Å; E478-K578 PolarHBondContact OE2-NZ 2.9Å; E478-R590 IonicContact OE1-CZ 3.7Å; E478-R590 IonicContact OE1-NH1 2.87Å; E478-R590 PolarHBondContact OE1-NH1 3.34Å
479	N	98.9	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.14	C	C	.	.			trans	-77.4	106.6	154.6	171.2	12.7	0	0	0	108	E131 F406 Y412 G414 G481 R482 K493 R590	E131-N479 PolarHBondContact OE1-ND2 2.6Å; F406-N479 HydrophobicContact CD1-CB 3.98Å; F406-N479 HydrophobicContact CE1-CB 3.49Å; F406-N479 VanDerWaalsContact CE1-CB 3.49Å; F406-N479 HydrophobicContact CZ-CB 4.19Å; Y412-N479 PolarHBondContact O-ND2 3.13Å; G414-N479 PolarHBondContact O-N 3.36Å; N479-G481 VanDerWaalsContact C-N 3.31Å; N479-G481 WeakPolarHBondContact OD1-CA 3.47Å; N479-G481 PolarHBondContact OD1-N 2.61Å; N479-R482 PolarHBondContact ND2-NH1 2.83Å; N479-R482 VanDerWaalsContact ND2-NH1 3.19Å; N479-K493 HydrophobicContact CB-CB 4.16Å; N479-K493 HydrophobicContact CB-CD 4.36Å; N479-K493 HydrophobicContact CB-CG 3.98Å; N479-K493 WeakPolarHBondContact OD1-CD 3.24Å; N479-K493 WeakPolarHBondContact OD1-CE 3.43Å; N479-R590 VanDerWaalsContact O-CZ 3.27Å; N479-R590 PolarHBondContact O-NH1 3.04Å; N479-R590 PolarHBondContact O-NH2 3Å
480	M	98.9	Very high	98.5	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.049	13%	0.133	C	C	.	.			trans	-79.6	-13.8	180	-77.4	176.3	56.7	0	0	113.2	N318 Y324 A326 D441 R442 E478 R590 W592	N318-M480 PolarHBondContact ND2-O 2.7Å; N318-M480 PolarHBondContact OD1-O 3.34Å; N318-M480 VanDerWaalsContact OD1-O 3.04Å; Y324-M480 HydrophobicContact CE1-CB 4.29Å; Y324-M480 HydrophobicContact CE1-CE 4.46Å; Y324-M480 WeakPolarHBondContact OH-CB 3.37Å; A326-M480 HydrophobicContact CB-CB 4.42Å; A326-M480 HydrophobicContact CB-CE 4.3Å; D441-M480 HydrophobicContact CB-CB 3.87Å; D441-M480 HydrophobicContact CB-CG 3.97Å; D441-M480 HydrophobicContact CB-SD 3.91Å; D441-M480 PolarHBondContact OD2-N 2.8Å; R442-M480 HydrophobicContact CB-SD 3.71Å; E478-M480 HydrophobicContact CB-CG 4.45Å; E478-M480 HydrophobicContact CG-CG 3.84Å; E478-M480 PolarHBondContact O-N 3.17Å; E478-M480 WeakPolarHBondContact OE2-CG 3.24Å; M480-R590 VanDerWaalsContact C-NH2 3.27Å; M480-R590 PolarHBondContact O-NE 3.35Å; M480-R590 PolarHBondContact O-NH2 2.86Å; M480-R590 VanDerWaalsContact O-NH2 3.14Å; M480-W592 HydrophobicContact CE-CE3 4.46Å; M480-W592 HydrophobicContact CE-CH2 3.93Å; M480-W592 HydrophobicContact CE-CZ3 3.47Å; M480-W592 VanDerWaalsContact CE-CZ3 3.47Å
481	G	98.8	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.			trans	135.6	125.5	-176.4	0	0	0	0	0	109.4	E131 Y324 N479 K493	E131-G481 WeakPolarHBondContact OE2-CA 3.43Å; Y324-G481 VanDerWaalsContact CE2-O 3.29Å; Y324-G481 WeakPolarHBondContact CE2-O 3.18Å; Y324-G481 PolarHBondContact OH-N 3.29Å; Y324-G481 PolarHBondContact OH-O 3.07Å; N479-G481 VanDerWaalsContact C-N 3.31Å; N479-G481 WeakPolarHBondContact OD1-CA 3.47Å; N479-G481 PolarHBondContact OD1-N 2.61Å; G481-K493 PolarHBondContact O-NZ 3.29Å
482	R	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.			trans	-67.1	141.3	176.6	-77.2	-177.5	177.9	82.1	8.2	111.2	E131 M132 G319 A320 Y412 N479 N484 D491 F492 K493	E131-R482 WeakPolarHBondContact OE1-CD 3.14Å; E131-R482 VanDerWaalsContact OE1-CG 3.25Å; E131-R482 WeakPolarHBondContact OE1-CG 3.49Å; E131-R482 IonicContact OE1-CZ 2.69Å; E131-R482 IonicContact OE1-NE 2.9Å; E131-R482 IonicContact OE1-NH1 3.77Å; E131-R482 PolarHBondContact OE1-NH1 2.98Å; E131-R482 PolarHBondContact OE2-N 3.13Å; M132-R482 HydrophobicContact CB-CB 3.71Å; M132-R482 HydrophobicContact CB-CG 4.39Å; M132-R482 HydrophobicContact CG-CB 4.11Å; M132-R482 VanDerWaalsContact SD-CD 3.6Å; G319-R482 CarbonylContact C-O 3.19Å; G319-R482 VanDerWaalsContact CA-O 3.28Å; G319-R482 WeakPolarHBondContact CA-O 3.45Å; A320-R482 PolarHBondContact N-O 3.02Å; Y412-R482 PolarHBondContact O-NH1 3.2Å; Y412-R482 PolarHBondContact O-NH2 3.42Å; N479-R482 PolarHBondContact ND2-NH1 2.83Å; N479-R482 VanDerWaalsContact ND2-NH1 3.19Å; R482-N484 PolarHBondContact O-N 2.96Å; R482-D491 WeakPolarHBondContact CA-OD2 3.42Å; R482-D491 HydrophobicContact CB-CB 4.23Å; R482-D491 VanDerWaalsContact CD-O 3.28Å; R482-D491 WeakPolarHBondContact CD-O 3.36Å; R482-D491 HydrophobicContact CG-CB 4.1Å; R482-D491 WeakPolarHBondContact CG-O 3.45Å; R482-D491 PolarHBondContact NE-O 3.14Å; R482-F492 PolarHBondContact NH2-O 2.76Å; R482-K493 HydrophobicContact CG-CD 4.41Å; R482-K493 VanDerWaalsContact CG-CE 3.42Å; R482-K493 HydrophobicContact CG-CG 4.12Å
483	V	98.9	Very high	98.6	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-54	130.9	172.5	175.6	0	0	0	0	109.8	A320 Y324 Y485 I489 D491	A320-V483 HydrophobicContact CB-CG2 4.27Å; A320-V483 CarbonylContact O-C 3.57Å; A320-V483 VanDerWaalsContact O-CA 3.23Å; A320-V483 WeakPolarHBondContact O-CA 3.46Å; Y324-V483 HydrophobicContact CD2-CG2 3.96Å; Y324-V483 HydrophobicContact CE2-CG2 4.28Å; V483-Y485 VanDerWaalsContact CG1-O 3.25Å; V483-Y485 WeakPolarHBondContact CG1-O 3.43Å; V483-I489 HydrophobicContact CG1-CG2 4.31Å; V483-I489 WeakPolarHBondContact O-CG2 3.19Å; V483-D491 PolarHBondContact N-OD2 3.05Å; V483-D491 VanDerWaalsContact N-OD2 3.13Å
484	N	98.8	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.			trans	-113.1	-5.6	-172.8	57.2	35.2	0	0	0	114.4	Y125 E129 W130 G319 A320 N321 Q327 R482	Y125-N484 VanDerWaalsContact CE2-O 3.23Å; Y125-N484 WeakPolarHBondContact CE2-O 3.5Å; Y125-N484 PolarHBondContact OH-O 2.82Å; E129-N484 VanDerWaalsContact C-ND2 3.29Å; E129-N484 VanDerWaalsContact CA-ND2 3.27Å; E129-N484 WeakPolarHBondContact CA-ND2 3.48Å; W130-N484 WeakPolarHBondContact O-CB 3.38Å; G319-N484 VanDerWaalsContact CA-ND2 3.32Å; G319-N484 WeakPolarHBondContact CA-ND2 3.3Å; A320-N484 PolarHBondContact N-ND2 3.13Å; A320-N484 VanDerWaalsContact N-ND2 3.19Å; A320-N484 PolarHBondContact O-N 3.32Å; A320-N484 PolarHBondContact O-ND2 2.83Å; A320-N484 PolarHBondContact O-OD1 3.21Å; N321-N484 PolarHBondContact ND2-OD1 2.93Å; Q327-N484 PolarHBondContact OE1-ND2 2.82Å; R482-N484 PolarHBondContact O-N 2.96Å
485	Y	98.1	Very high	98.6	Very high	84 Å²	84	19.3 Å²	19.3	33%	0.329	10%	0.099	S	C	.	.	S	Bend	trans	-141	149.3	-178.9	179.7	-93.7	0	0	0	111.8	S191 V483	S191-Y485 WeakPolarHBondContact CB-OH 3.3Å; V483-Y485 VanDerWaalsContact CG1-O 3.25Å; V483-Y485 WeakPolarHBondContact CG1-O 3.43Å
486	G	97.5	Very high	98.5	Very high	17 Å²	17	21.8 Å²	21.8	18%	0.175	11%	0.114	C	C	.	.	S	Bend	trans	80.2	-164.6	178.7	0	0	0	0	0	113.9	Y192 F488 I489	Y192-G486 WeakPolarHBondContact CE2-O 3.46Å; G486-F488 PolarHBondContact O-N 2.9Å; G486-I489 WeakPolarHBondContact O-CG2 3.24Å
487	A	97.2	Very high	98.5	Very high	40 Å²	40	22.8 Å²	22.8	33%	0.331	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.4	-171	0	0	0	0	0	114.6	F193 I489	F193-A487 HydrophobicContact CD1-CB 3.48Å; F193-A487 VanDerWaalsContact CD1-CB 3.48Å; F193-A487 HydrophobicContact CE1-CB 3.69Å; F193-A487 HydrophobicContact CG-CB 4.37Å; A487-I489 VanDerWaalsContact C-N 3.29Å; A487-I489 PolarHBondContact O-N 2.9Å
488	F	97.8	Very high	98.5	Very high	130 Å²	130	25 Å²	25	57%	0.57	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	29.1	-167.5	-54	-72.8	0	0	0	114.3	G486 N490	G486-F488 PolarHBondContact O-N 2.9Å; F488-N490 PolarHBondContact O-N 2.99Å
489	I	98.4	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.			trans	-71.3	-12.3	178.7	55.6	165.8	0	0	0	113.5	Y125 L135 L147 R148 Y192 V483 G486 A487 D491	Y125-I489 HydrophobicContact CD2-CD1 4.48Å; Y125-I489 HydrophobicContact CE2-CD1 4.38Å; L135-I489 HydrophobicContact CD1-CD1 4.23Å; L147-I489 HydrophobicContact CB-CD1 4.04Å; L147-I489 HydrophobicContact CD1-CD1 4.11Å; L147-I489 HydrophobicContact CD1-CG1 4.03Å; R148-I489 HydrophobicContact CG-CD1 4.21Å; Y192-I489 HydrophobicContact CE2-CD1 3.79Å; Y192-I489 HydrophobicContact CE2-CG1 4.11Å; V483-I489 HydrophobicContact CG1-CG2 4.31Å; V483-I489 WeakPolarHBondContact O-CG2 3.19Å; G486-I489 WeakPolarHBondContact O-CG2 3.24Å; A487-I489 VanDerWaalsContact C-N 3.29Å; A487-I489 PolarHBondContact O-N 2.9Å; I489-D491 PolarHBondContact O-N 3.36Å
490	N	97.8	Very high	98.5	Very high	66 Å²	66	25.9 Å²	25.9	35%	0.353	14%	0.139	S	C	.	.			trans	-79.6	57.3	172.1	58.7	-16.3	0	0	0	111.9	L140 L147 F488 F492	L140-N490 HydrophobicContact CD2-CB 3.96Å; L147-N490 HydrophobicContact CD1-CB 4.11Å; F488-N490 PolarHBondContact O-N 2.99Å; N490-F492 VanDerWaalsContact O-CD2 3.24Å; N490-F492 WeakPolarHBondContact O-CD2 3.42Å; N490-F492 VanDerWaalsContact O-CE2 3.31Å; N490-F492 WeakPolarHBondContact O-CE2 3.36Å; N490-F492 PolarHBondContact O-N 2.77Å
491	D	98.7	Very high	98.5	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	14%	0.137	C	C	.	.			trans	-95.7	96.4	-166.3	-164.5	20.4	0	0	0	111.6	H440 R457 R482 V483 I489 K493	H440-D491 IonicContact ND1-OD1 3.74Å; R457-D491 IonicContact CZ-OD1 3.86Å; R457-D491 VanDerWaalsContact CZ-OD1 3.26Å; R457-D491 IonicContact NH1-OD1 2.83Å; R457-D491 PolarHBondContact NH1-OD1 2.82Å; R457-D491 IonicContact NH1-OD2 3.16Å; R457-D491 PolarHBondContact NH1-OD2 2.8Å; R457-D491 VanDerWaalsContact NH1-OD2 3.14Å; R457-D491 IonicContact NH2-OD1 2.77Å; R457-D491 PolarHBondContact NH2-OD1 3.18Å; R482-D491 WeakPolarHBondContact CA-OD2 3.42Å; R482-D491 HydrophobicContact CB-CB 4.23Å; R482-D491 VanDerWaalsContact CD-O 3.28Å; R482-D491 WeakPolarHBondContact CD-O 3.36Å; R482-D491 HydrophobicContact CG-CB 4.1Å; R482-D491 WeakPolarHBondContact CG-O 3.45Å; R482-D491 PolarHBondContact NE-O 3.14Å; V483-D491 PolarHBondContact N-OD2 3.05Å; V483-D491 VanDerWaalsContact N-OD2 3.13Å; I489-D491 PolarHBondContact O-N 3.36Å; D491-K493 PolarHBondContact O-N 3.49Å; D491-K493 IonicContact OD1-NZ 2.7Å; D491-K493 WeakPolarHBondContact OD2-CE 3.17Å; D491-K493 IonicContact OD2-NZ 2.67Å; D491-K493 PolarHBondContact OD2-NZ 3.4Å
492	F	98.8	Very high	98.3	Very high	44 Å²	44	29.3 Å²	29.3	19%	0.193	16%	0.157	C	C	.	.			trans	-66.3	-40.5	-166	-70.7	-92	0	0	0	115.4	L140 E143 T405 I407 R482 N490 V496	L140-F492 HydrophobicContact CB-CD1 4.06Å; L140-F492 HydrophobicContact CB-CE1 3.85Å; L140-F492 HydrophobicContact CD1-CD1 4.44Å; L140-F492 WeakPolarHBondContact O-CE1 3.24Å; E143-F492 HydrophobicContact CB-CE1 4.37Å; E143-F492 HydrophobicContact CB-CZ 4.4Å; E143-F492 HydrophobicContact CG-CE1 4.26Å; E143-F492 WeakPolarHBondContact O-CZ 3.44Å; T405-F492 HydrophobicContact CG2-CB 4.09Å; I407-F492 HydrophobicContact CG1-CB 4.5Å; I407-F492 HydrophobicContact CG1-CD1 4.07Å; I407-F492 WeakPolarHBondContact CG1-O 3.28Å; R482-F492 PolarHBondContact NH2-O 2.76Å; N490-F492 VanDerWaalsContact O-CD2 3.24Å; N490-F492 WeakPolarHBondContact O-CD2 3.42Å; N490-F492 VanDerWaalsContact O-CE2 3.31Å; N490-F492 WeakPolarHBondContact O-CE2 3.36Å; N490-F492 PolarHBondContact O-N 2.77Å; F492-V496 HydrophobicContact CB-CG1 4.02Å
493	K	98.9	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.			trans	70.4	159.5	-172.6	-47	-62.4	-175.4	176.5	0	115.4	T405 F406 H440 D441 N479 G481 R482 D491	T405-K493 WeakPolarHBondContact CB-O 3.39Å; F406-K493 HydrophobicContact CB-CB 3.95Å; F406-K493 HydrophobicContact CD1-CB 4.04Å; F406-K493 HydrophobicContact CD2-CB 4.29Å; F406-K493 HydrophobicContact CG-CB 3.85Å; F406-K493 PolarHBondContact N-O 2.95Å; H440-K493 HydrophobicContact CB-CD 4.35Å; H440-K493 WeakPolarHBondContact O-CA 3.46Å; D441-K493 IonicContact OD1-NZ 2.73Å; D441-K493 PolarHBondContact OD1-NZ 2.81Å; D441-K493 WeakPolarHBondContact OD2-CD 3.39Å; D441-K493 WeakPolarHBondContact OD2-CE 3.39Å; D441-K493 IonicContact OD2-NZ 2.82Å; D441-K493 PolarHBondContact OD2-NZ 3.41Å; N479-K493 HydrophobicContact CB-CB 4.16Å; N479-K493 HydrophobicContact CB-CD 4.36Å; N479-K493 HydrophobicContact CB-CG 3.98Å; N479-K493 WeakPolarHBondContact OD1-CD 3.24Å; N479-K493 WeakPolarHBondContact OD1-CE 3.43Å; G481-K493 PolarHBondContact O-NZ 3.29Å; R482-K493 HydrophobicContact CG-CD 4.41Å; R482-K493 VanDerWaalsContact CG-CE 3.42Å; R482-K493 HydrophobicContact CG-CG 4.12Å; D491-K493 PolarHBondContact O-N 3.49Å; D491-K493 IonicContact OD1-NZ 2.7Å; D491-K493 WeakPolarHBondContact OD2-CE 3.17Å; D491-K493 IonicContact OD2-NZ 2.67Å; D491-K493 PolarHBondContact OD2-NZ 3.4Å
494	G	98.8	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.1	-156.9	-173.4	0	0	0	0	0	113	F406 Y418 H440 V496	F406-G494 VanDerWaalsContact CD2-N 3.35Å; Y418-G494 WeakPolarHBondContact OH-CA 3.12Å; H440-G494 PolarHBondContact N-O 2.74Å; H440-G494 PolarHBondContact O-N 3.12Å; G494-V496 PolarHBondContact O-N 2.93Å
495	L	98.9	Very high	98.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	90.5	167.9	-61.9	-174	0	0	0	109	P403 Y418 G438 V439 V477 S497 L499 W509	P403-L495 HydrophobicContact CB-CB 3.55Å; P403-L495 HydrophobicContact CB-CD1 4.1Å; P403-L495 HydrophobicContact CB-CG 4.45Å; P403-L495 HydrophobicContact CG-CB 4.18Å; P403-L495 HydrophobicContact CG-CD1 4.2Å; Y418-L495 HydrophobicContact CD1-CB 4.31Å; Y418-L495 HydrophobicContact CD1-CD1 3.64Å; Y418-L495 HydrophobicContact CD1-CG 3.95Å; Y418-L495 HydrophobicContact CD2-CD1 4.27Å; Y418-L495 HydrophobicContact CD2-CG 4.13Å; Y418-L495 HydrophobicContact CE1-CB 3.99Å; Y418-L495 HydrophobicContact CE1-CD1 4.18Å; Y418-L495 HydrophobicContact CE1-CG 4.01Å; Y418-L495 HydrophobicContact CE2-CG 4.19Å; Y418-L495 HydrophobicContact CG-CD1 3.69Å; Y418-L495 HydrophobicContact CG-CG 4.01Å; Y418-L495 PolarHBondContact OH-N 3.12Å; G438-L495 CarbonylContact O-C 3.56Å; G438-L495 WeakPolarHBondContact O-CA 3.34Å; V439-L495 HydrophobicContact CG2-CD2 3.89Å; V477-L495 HydrophobicContact CG2-CD2 3.9Å; V477-L495 HydrophobicContact CG2-CG 4.12Å; L495-S497 VanDerWaalsContact C-N 3.27Å; L495-S497 PolarHBondContact O-N 3.36Å; L495-L499 HydrophobicContact CD1-CD1 3.8Å; L495-L499 HydrophobicContact CD1-CG 4.23Å; L495-L499 HydrophobicContact CD2-CD1 4.21Å; L495-L499 HydrophobicContact CD2-CD2 4.45Å; L495-L499 HydrophobicContact CD2-CG 4.5Å; L495-W509 HydrophobicContact CD1-CH2 4.22Å; L495-W509 HydrophobicContact CD1-CZ3 4.28Å
496	V	98.7	Very high	98.2	Very high	52 Å²	52	39.4 Å²	39.4	32%	0.315	22%	0.224	S	C	.	.			trans	-82.2	-2.7	-176	-54.3	0	0	0	0	113.7	T405 G438 H440 F492 G494	T405-V496 HydrophobicContact CG2-CB 4.47Å; T405-V496 HydrophobicContact CG2-CG1 4.09Å; G438-V496 PolarHBondContact O-N 3.28Å; H440-V496 HydrophobicContact CB-CG1 4.18Å; F492-V496 HydrophobicContact CB-CG1 4.02Å; G494-V496 PolarHBondContact O-N 2.93Å
497	S	98.6	Very high	98.2	Very high	27 Å²	27	41.5 Å²	41.5	19%	0.189	23%	0.234	C	C	.	.	S	Bend	trans	-148	164.6	168.7	73.3	0	0	0	0	110.5	G438 L495	G438-S497 WeakPolarHBondContact CA-OG 3.49Å; L495-S497 VanDerWaalsContact C-N 3.27Å; L495-S497 PolarHBondContact O-N 3.36Å
498	N	98.7	Very high	98.3	Very high	47 Å²	47	41.7 Å²	41.7	25%	0.251	24%	0.239	S	C	.	.			trans	-55.8	145.8	176.8	-73.6	-30.7	0	0	0	113	Y402 P403 I505	Y402-N498 VanDerWaalsContact CD1-OD1 3.23Å; Y402-N498 WeakPolarHBondContact CD1-OD1 3.07Å; P403-N498 WeakPolarHBondContact CD-OD1 3.34Å; N498-I505 HydrophobicContact CB-CG2 3.99Å
499	L	98.6	Very high	98.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.			trans	-95	150.5	164.2	-60.1	-175.9	0	0	0	110.2	L432 S433 S434 V439 L475 L495 L506 W509	L432-L499 HydrophobicContact CD1-CB 4.36Å; L432-L499 HydrophobicContact CD1-CD1 4.46Å; S433-L499 CarbonylContact O-C 3.08Å; S433-L499 VanDerWaalsContact O-CA 3.29Å; S433-L499 WeakPolarHBondContact O-CA 3.34Å; S434-L499 VanDerWaalsContact CB-CD2 3.46Å; V439-L499 HydrophobicContact CG2-CD2 4.22Å; L475-L499 HydrophobicContact CD1-CD1 4.17Å; L475-L499 HydrophobicContact CD2-CD1 3.5Å; L495-L499 HydrophobicContact CD1-CD1 3.8Å; L495-L499 HydrophobicContact CD1-CG 4.23Å; L495-L499 HydrophobicContact CD2-CD1 4.21Å; L495-L499 HydrophobicContact CD2-CD2 4.45Å; L495-L499 HydrophobicContact CD2-CG 4.5Å; L499-L506 HydrophobicContact CB-CD1 4.39Å; L499-L506 PolarHBondContact O-N 2.99Å; L499-W509 HydrophobicContact CB-CZ2 4.44Å; L499-W509 HydrophobicContact CD1-CH2 4.03Å; L499-W509 HydrophobicContact CD1-CZ2 4.43Å
500	T	98.7	Very high	98.4	Very high	17 Å²	17	37 Å²	37	10%	0.104	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.7	174	57.3	0	0	0	0	111.1	L432 S433 P435 N504 I505	L432-T500 CarbonylContact C-O 3.48Å; L432-T500 WeakPolarHBondContact CA-O 3.43Å; S433-T500 PolarHBondContact N-O 3.22Å; S433-T500 PolarHBondContact O-N 3.25Å; P435-T500 HydrophobicContact CG-CG2 4.14Å; T500-N504 CarbonylContact C-O 3.59Å; T500-N504 WeakPolarHBondContact CA-O 3.43Å; T500-N504 WeakPolarHBondContact CB-O 3.32Å; T500-I505 HydrophobicContact CG2-CG1 4.07Å
501	L	98.3	Very high	98.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.4	167.9	-176.4	69.4	0	0	0	107.4	L422 P423 Q424 T430 P431 L432 I465 S503 N504 L506	L422-L501 HydrophobicContact CD2-CD2 3.98Å; P423-L501 HydrophobicContact CG-CD2 4.37Å; Q424-L501 HydrophobicContact CG-CD2 4.4Å; T430-L501 HydrophobicContact CG2-CD1 3.63Å; T430-L501 HydrophobicContact CG2-CG 3.91Å; P431-L501 WeakPolarHBondContact O-CA 3.32Å; L432-L501 HydrophobicContact CB-CD1 4.34Å; I465-L501 HydrophobicContact CD1-CD1 3.76Å; I465-L501 HydrophobicContact CG1-CD1 3.98Å; L501-S503 VanDerWaalsContact C-N 3.28Å; L501-S503 PolarHBondContact O-N 3Å; L501-N504 PolarHBondContact N-O 2.9Å; L501-N504 WeakPolarHBondContact O-CB 3Å; L501-N504 PolarHBondContact O-N 3.23Å; L501-L506 HydrophobicContact CB-CD1 4.16Å; L501-L506 HydrophobicContact CB-CD2 3.83Å; L501-L506 HydrophobicContact CB-CG 3.97Å; L501-L506 HydrophobicContact CD2-CD2 4.26Å
502	D	96.4	Very high	98.4	Very high	80 Å²	80	34.7 Å²	34.7	43%	0.428	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	48.7	-172.6	-162.2	27	0	0	0	112.7	T430 P431 N504	T430-D502 HydrophobicContact CG2-CB 3.89Å; P431-D502 PolarHBondContact O-N 3.42Å; D502-N504 PolarHBondContact O-N 3.46Å; D502-N504 PolarHBondContact O-ND2 3.25Å; D502-N504 VanDerWaalsContact O-ND2 3.07Å
503	S	96	Very high	98.5	Very high	106 Å²	106	33.9 Å²	33.9	74%	0.741	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	-6.1	-174.2	-47.1	0	0	0	0	116.9	L501	L501-S503 VanDerWaalsContact C-N 3.28Å; L501-S503 PolarHBondContact O-N 3Å
504	N	98	Very high	98.4	Very high	97 Å²	97	34.2 Å²	34.2	52%	0.519	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.7	177.1	-63.2	-71.7	0	0	0	111.3	T500 L501 D502 L506	T500-N504 CarbonylContact C-O 3.59Å; T500-N504 WeakPolarHBondContact CA-O 3.43Å; T500-N504 WeakPolarHBondContact CB-O 3.32Å; L501-N504 PolarHBondContact N-O 2.9Å; L501-N504 WeakPolarHBondContact O-CB 3Å; L501-N504 PolarHBondContact O-N 3.23Å; D502-N504 PolarHBondContact O-N 3.46Å; D502-N504 PolarHBondContact O-ND2 3.25Å; D502-N504 VanDerWaalsContact O-ND2 3.07Å; N504-L506 PolarHBondContact O-N 3.43Å
505	I	98.7	Very high	98.4	Very high	91 Å²	91	37.5 Å²	37.5	47%	0.467	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127.4	-178.5	-65.4	171.5	0	0	0	111	Y402 N498 T500 T507	Y402-I505 HydrophobicContact CD1-CG2 4.28Å; Y402-I505 HydrophobicContact CE1-CG2 3.97Å; N498-I505 HydrophobicContact CB-CG2 3.99Å; T500-I505 HydrophobicContact CG2-CG1 4.07Å; I505-T507 HydrophobicContact CG2-CG2 4.19Å
506	L	98.6	Very high	98.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-77.7	132.5	172.1	-71.1	175.8	0	0	0	111.1	T420 P423 L432 L473 L499 L501 N504 W509	T420-L506 HydrophobicContact CG2-CD1 4.48Å; P423-L506 HydrophobicContact CG-CD2 4.01Å; L432-L506 HydrophobicContact CD1-CD1 3.53Å; L473-L506 HydrophobicContact CD2-CD1 3.67Å; L499-L506 HydrophobicContact CB-CD1 4.39Å; L499-L506 PolarHBondContact O-N 2.99Å; L501-L506 HydrophobicContact CB-CD1 4.16Å; L501-L506 HydrophobicContact CB-CD2 3.83Å; L501-L506 HydrophobicContact CB-CG 3.97Å; L501-L506 HydrophobicContact CD2-CD2 4.26Å; N504-L506 PolarHBondContact O-N 3.43Å; L506-W509 HydrophobicContact CB-CZ2 3.81Å; L506-W509 HydrophobicContact CD1-CZ2 4.42Å; L506-W509 PolarHBondContact O-NE1 2.78Å
507	T	98.8	Very high	98.3	Very high	61 Å²	61	37 Å²	37	37%	0.374	22%	0.221	S	C	.	.			trans	-130.5	177.6	-177.8	58.6	0	0	0	0	111.1	L401 Y402 T420 I505	L401-T507 HydrophobicContact CD1-CG2 4.38Å; L401-T507 CarbonylContact O-C 3.56Å; L401-T507 WeakPolarHBondContact O-CA 3.28Å; L401-T507 VanDerWaalsContact O-CB 3.28Å; L401-T507 WeakPolarHBondContact O-CB 3.27Å; Y402-T507 HydrophobicContact CD1-CG2 4.04Å; Y402-T507 HydrophobicContact CE1-CG2 3.64Å; T420-T507 PolarHBondContact OG1-O 2.93Å; I505-T507 HydrophobicContact CG2-CG2 4.19Å
508	G	98.5	Very high	98.2	Very high	43 Å²	43	39.7 Å²	39.7	44%	0.443	23%	0.233	S	C	.	.			trans	74.6	49.1	174.8	0	0	0	0	0	113.2	L401	L401-G508 PolarHBondContact O-N 2.81Å
509	W	98.9	Very high	98	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.7	-174.8	-66.9	90.6	0	0	0	112.6	K399 S400 P403 R419 T420 L475 L495 L499 L506 I511	K399-W509 WeakPolarHBondContact CA-O 3.21Å; S400-W509 PolarHBondContact N-O 2.87Å; S400-W509 PolarHBondContact O-N 3.15Å; P403-W509 HydrophobicContact CG-CD2 4.22Å; P403-W509 HydrophobicContact CG-CG 4.37Å; P403-W509 HydrophobicContact CG-CZ2 4.2Å; R419-W509 WeakPolarHBondContact O-CA 3.38Å; T420-W509 HydrophobicContact CG2-CD2 4.47Å; T420-W509 HydrophobicContact CG2-CE3 4.15Å; T420-W509 HydrophobicContact CG2-CH2 3.66Å; T420-W509 HydrophobicContact CG2-CZ2 4.01Å; T420-W509 HydrophobicContact CG2-CZ3 3.73Å; L475-W509 HydrophobicContact CD1-CH2 3.91Å; L475-W509 HydrophobicContact CD1-CZ3 3.93Å; L495-W509 HydrophobicContact CD1-CH2 4.22Å; L495-W509 HydrophobicContact CD1-CZ3 4.28Å; L499-W509 HydrophobicContact CB-CZ2 4.44Å; L499-W509 HydrophobicContact CD1-CH2 4.03Å; L499-W509 HydrophobicContact CD1-CZ2 4.43Å; L506-W509 HydrophobicContact CB-CZ2 3.81Å; L506-W509 HydrophobicContact CD1-CZ2 4.42Å; L506-W509 PolarHBondContact O-NE1 2.78Å; W509-I511 HydrophobicContact CB-CD1 4.31Å; W509-I511 HydrophobicContact CB-CG1 4.09Å
510	T	98.9	Very high	97.9	Very high	32 Å²	32	37.8 Å²	37.8	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.6	169	-58.3	0	0	0	0	106.9	P397 R419 F512	P397-T510 HydrophobicContact CB-CG2 3.44Å; P397-T510 VanDerWaalsContact CB-CG2 3.44Å; P397-T510 HydrophobicContact CG-CG2 3.51Å; R419-T510 WeakPolarHBondContact CB-O 3.47Å; R419-T510 PolarHBondContact N-O 2.86Å; R419-T510 PolarHBondContact O-N 3.34Å; T510-F512 HydrophobicContact CG2-CE2 3.7Å; T510-F512 HydrophobicContact CG2-CZ 3.84Å
511	I	98.9	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.5	-164.9	-48.5	172.8	0	0	0	108.8	P397 I398 L404 V409 V416 L417 Y418 W509 P513	P397-I511 CarbonylContact C-O 3.59Å; P397-I511 VanDerWaalsContact CA-O 3.29Å; P397-I511 WeakPolarHBondContact CA-O 3.35Å; P397-I511 WeakPolarHBondContact CB-O 3.4Å; I398-I511 PolarHBondContact N-O 2.82Å; I398-I511 PolarHBondContact O-N 3.28Å; L404-I511 HydrophobicContact CB-CD1 3.8Å; L404-I511 HydrophobicContact CD1-CD1 4.27Å; L404-I511 HydrophobicContact CG-CD1 3.95Å; V409-I511 HydrophobicContact CG1-CG2 4.01Å; V416-I511 HydrophobicContact CG1-CG2 3.45Å; V416-I511 VanDerWaalsContact CG1-CG2 3.45Å; L417-I511 WeakPolarHBondContact O-CA 3.39Å; Y418-I511 HydrophobicContact CD1-CD1 4.05Å; Y418-I511 HydrophobicContact CD1-CG1 3.91Å; Y418-I511 HydrophobicContact CD1-CG2 3.88Å; Y418-I511 HydrophobicContact CE1-CD1 3.97Å; Y418-I511 HydrophobicContact CE1-CG1 4.25Å; Y418-I511 HydrophobicContact CE1-CG2 3.79Å; Y418-I511 HydrophobicContact CG-CG2 4.33Å; W509-I511 HydrophobicContact CB-CD1 4.31Å; W509-I511 HydrophobicContact CB-CG1 4.09Å; I511-P513 WeakPolarHBondContact O-CD 3.29Å
512	F	98.9	Very high	97.4	Very high	21 Å²	21	45.3 Å²	45.3	9%	0.092	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.3	-177.3	-55.9	-106.7	0	0	0	109.4	L389 C393 P397 V416 L417 R419 T510 L514	L389-F512 HydrophobicContact CB-CD1 4.48Å; L389-F512 HydrophobicContact CD1-CD1 4.36Å; L389-F512 HydrophobicContact CD1-CE1 4.12Å; L389-F512 HydrophobicContact CD1-CE2 4.46Å; L389-F512 HydrophobicContact CD1-CZ 4.18Å; L389-F512 HydrophobicContact CD2-CB 4.15Å; L389-F512 HydrophobicContact CD2-CD1 4.04Å; L389-F512 HydrophobicContact CD2-CG 4.05Å; C393-F512 HydrophobicContact CB-CB 4.13Å; C393-F512 HydrophobicContact CB-CD1 3.96Å; P397-F512 HydrophobicContact CB-CD1 3.66Å; P397-F512 HydrophobicContact CB-CD2 4.09Å; P397-F512 HydrophobicContact CB-CE1 3.59Å; P397-F512 HydrophobicContact CB-CE2 4.03Å; P397-F512 HydrophobicContact CB-CG 3.9Å; P397-F512 HydrophobicContact CB-CZ 3.78Å; P397-F512 HydrophobicContact CG-CD1 4.12Å; P397-F512 HydrophobicContact CG-CE1 3.58Å; P397-F512 HydrophobicContact CG-CE2 4.47Å; P397-F512 HydrophobicContact CG-CZ 3.78Å; V416-F512 WeakPolarHBondContact CG1-O 3.44Å; L417-F512 HydrophobicContact CB-CB 4.23Å; L417-F512 HydrophobicContact CB-CD2 4.4Å; L417-F512 HydrophobicContact CD2-CD2 4.15Å; L417-F512 HydrophobicContact CG-CD2 4.41Å; L417-F512 PolarHBondContact N-O 3.1Å; L417-F512 PolarHBondContact O-N 2.99Å; R419-F512 HydrophobicContact CB-CE2 4.14Å; T510-F512 HydrophobicContact CG2-CE2 3.7Å; T510-F512 HydrophobicContact CG2-CZ 3.84Å; F512-L514 HydrophobicContact CB-CD2 3.92Å
513	P	98.8	Very high	97	Very high	28 Å²	28	43.9 Å²	43.9	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	136	157.1	-23.6	35.7	0	0	0	109.8	C393 I398 V409 Q411 I511	C393-P513 WeakPolarHBondContact CB-O 3.29Å; C393-P513 PolarHBondContact SG-O 2.91Å; I398-P513 HydrophobicContact CD1-CG 4.49Å; V409-P513 HydrophobicContact CB-CG 3.98Å; V409-P513 HydrophobicContact CG2-CG 4.08Å; V409-P513 WeakPolarHBondContact O-CG 3.45Å; Q411-P513 HydrophobicContact CB-CB 4.38Å; Q411-P513 VanDerWaalsContact OE1-CB 3.31Å; I511-P513 WeakPolarHBondContact O-CD 3.29Å
514	L	98.8	Very high	96.6	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	21%	0.214	C	C	.	.			trans	-116.7	110.2	-175.9	-49.6	178.7	0	0	0	110.5	V385 L389 L392 Q411 F415 L417 L476 F512 T516	V385-L514 HydrophobicContact CG1-CD1 3.85Å; L389-L514 HydrophobicContact CD2-CD2 3.73Å; L392-L514 HydrophobicContact CB-CB 4.22Å; L392-L514 HydrophobicContact CB-CD2 3.84Å; L392-L514 HydrophobicContact CD1-CD2 4.33Å; L392-L514 HydrophobicContact CD2-CB 4.46Å; L392-L514 CarbonylContact O-C 3.55Å; L392-L514 WeakPolarHBondContact O-CA 3.27Å; Q411-L514 PolarHBondContact NE2-O 3.24Å; F415-L514 HydrophobicContact CB-CD1 4.13Å; F415-L514 VanDerWaalsContact O-CB 3.3Å; F415-L514 WeakPolarHBondContact O-CB 3.42Å; F415-L514 WeakPolarHBondContact O-CG 3.28Å; L417-L514 HydrophobicContact CB-CD1 4.37Å; L417-L514 HydrophobicContact CB-CD2 4.44Å; L476-L514 HydrophobicContact CD1-CD1 3.48Å; L476-L514 VanDerWaalsContact CD1-CD1 3.48Å; F512-L514 HydrophobicContact CB-CD2 3.92Å; L514-T516 HydrophobicContact CB-CG2 4.4Å; L514-T516 PolarHBondContact O-N 3Å
515	D	97.8	Very high	95.5	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	22%	0.218	S	C	.	.			trans	-77.4	74.5	171.3	-164.9	-20.6	0	0	0	110.3	L392 E517 D518 A519	L392-D515 PolarHBondContact O-N 3.39Å; D515-E517 PolarHBondContact O-N 3.1Å; D515-D518 PolarHBondContact OD1-N 3.34Å; D515-A519 WeakPolarHBondContact O-CB 3.33Å; D515-A519 PolarHBondContact O-N 3.39Å; D515-A519 VanDerWaalsContact O-N 3.12Å
516	T	98.2	Very high	93.9	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-31.2	179.6	49.1	0	0	0	0	112.4	Y316 L392 F415 L514 V520	Y316-T516 PolarHBondContact OH-OG1 3.35Å; L392-T516 HydrophobicContact CD2-CG2 4.22Å; F415-T516 HydrophobicContact CD2-CG2 4.05Å; L514-T516 HydrophobicContact CB-CG2 4.4Å; L514-T516 PolarHBondContact O-N 3Å; T516-V520 WeakPolarHBondContact O-CB 3.43Å; T516-V520 WeakPolarHBondContact O-CG2 3.4Å; T516-V520 PolarHBondContact O-N 3Å
517	E	97.7	Very high	91.7	Very high	38 Å²	38	44.6 Å²	44.6	18%	0.178	25%	0.251	C	S	.	.	H	α-helix	trans	-76.8	-44.9	-172.3	-51.1	-49.4	110.7	0	0	111.8	Y316 D515 R521 W582 N587	Y316-E517 WeakPolarHBondContact CE2-OE1 3.45Å; Y316-E517 PolarHBondContact OH-OE1 2.86Å; D515-E517 PolarHBondContact O-N 3.1Å; E517-R521 WeakPolarHBondContact O-CB 3.42Å; E517-R521 WeakPolarHBondContact O-CG 3.45Å; E517-R521 PolarHBondContact O-N 2.91Å; E517-R521 PolarHBondContact O-NE 2.87Å; E517-W582 WeakPolarHBondContact OE1-CZ2 3.21Å; E517-W582 PolarHBondContact OE2-NE1 3.3Å; E517-N587 PolarHBondContact OE1-ND2 2.8Å; E517-N587 WeakPolarHBondContact OE2-CB 3.48Å; E517-N587 PolarHBondContact OE2-ND2 2.84Å
518	D	95.6	Very high	88.9	Confident	84 Å²	84	50.3 Å²	50.3	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-73.9	-33.1	173.4	-82.1	-18.8	0	0	0	112.4	D515 R521 S522	D515-D518 PolarHBondContact OD1-N 3.34Å; D518-R521 PolarHBondContact O-N 2.71Å; D518-R521 IonicContact OD1-CZ 3.42Å; D518-R521 IonicContact OD1-NE 2.7Å; D518-R521 PolarHBondContact OD1-NE 3.2Å; D518-R521 IonicContact OD1-NH2 3.46Å; D518-R521 PolarHBondContact OD1-NH2 3.06Å; D518-S522 WeakPolarHBondContact O-CB 3.5Å; D518-S522 PolarHBondContact O-N 2.85Å; D518-S522 PolarHBondContact O-OG 2.84Å
519	A	95.8	Very high	85.9	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-43.2	173.1	0	0	0	0	0	111.8	I391 L392 D515 S522 H523 L524	I391-A519 HydrophobicContact CG2-CB 4Å; L392-A519 HydrophobicContact CD2-CB 3.56Å; L392-A519 HydrophobicContact CG-CB 4.33Å; D515-A519 WeakPolarHBondContact O-CB 3.33Å; D515-A519 PolarHBondContact O-N 3.39Å; D515-A519 VanDerWaalsContact O-N 3.12Å; A519-S522 PolarHBondContact O-N 2.58Å; A519-S522 PolarHBondContact O-OG 3.39Å; A519-S522 VanDerWaalsContact O-OG 3.12Å; A519-H523 PolarHBondContact O-N 2.86Å; A519-L524 HydrophobicContact CB-CD2 3.72Å; A519-L524 WeakPolarHBondContact O-CA 3.36Å; A519-L524 PolarHBondContact O-N 2.72Å
520	V	96.9	Very high	83	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-41.6	175.9	172	0	0	0	0	111.6	T516 S522 H523 F551 W582 T617	T516-V520 WeakPolarHBondContact O-CB 3.43Å; T516-V520 WeakPolarHBondContact O-CG2 3.4Å; T516-V520 PolarHBondContact O-N 3Å; V520-S522 PolarHBondContact O-N 3.46Å; V520-H523 PolarHBondContact O-N 3.39Å; V520-H523 VanDerWaalsContact O-N 3.12Å; V520-F551 HydrophobicContact CG2-CD1 4.26Å; V520-F551 HydrophobicContact CG2-CE1 3.84Å; V520-W582 HydrophobicContact CB-CD2 4.36Å; V520-W582 HydrophobicContact CB-CG 4.43Å; V520-W582 HydrophobicContact CG1-CB 3.81Å; V520-W582 HydrophobicContact CG1-CD2 3.95Å; V520-W582 HydrophobicContact CG1-CE3 4.43Å; V520-W582 HydrophobicContact CG1-CG 3.67Å; V520-W582 HydrophobicContact CG2-CD2 4.02Å; V520-W582 HydrophobicContact CG2-CE3 4.09Å; V520-W582 HydrophobicContact CG2-CH2 4.28Å; V520-W582 HydrophobicContact CG2-CZ2 4.21Å; V520-W582 HydrophobicContact CG2-CZ3 4.22Å; V520-T617 HydrophobicContact CG1-CG2 4.08Å; V520-T617 HydrophobicContact CG2-CG2 4.02Å
521	R	94.3	Very high	79.9	Confident	128 Å²	128	70.3 Å²	70.3	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-26.7	175	-80.8	-174	-74.7	-87.3	6	114	E517 D518	E517-R521 WeakPolarHBondContact O-CB 3.42Å; E517-R521 WeakPolarHBondContact O-CG 3.45Å; E517-R521 PolarHBondContact O-N 2.91Å; E517-R521 PolarHBondContact O-NE 2.87Å; D518-R521 PolarHBondContact O-N 2.71Å; D518-R521 IonicContact OD1-CZ 3.42Å; D518-R521 IonicContact OD1-NE 2.7Å; D518-R521 PolarHBondContact OD1-NE 3.2Å; D518-R521 IonicContact OD1-NH2 3.46Å; D518-R521 PolarHBondContact OD1-NH2 3.06Å
522	S	90.6	Very high	76.7	Confident	49 Å²	49	75.2 Å²	75.2	34%	0.343	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11.7	178.7	60.3	0	0	0	0	114.1	D518 A519 V520 L524 G525 G526	D518-S522 WeakPolarHBondContact O-CB 3.5Å; D518-S522 PolarHBondContact O-N 2.85Å; D518-S522 PolarHBondContact O-OG 2.84Å; A519-S522 PolarHBondContact O-N 2.58Å; A519-S522 PolarHBondContact O-OG 3.39Å; A519-S522 VanDerWaalsContact O-OG 3.12Å; V520-S522 PolarHBondContact O-N 3.46Å; S522-L524 PolarHBondContact O-N 2.83Å; S522-G525 WeakPolarHBondContact O-CA 3.31Å; S522-G525 PolarHBondContact O-N 3.49Å; S522-G526 PolarHBondContact O-N 2.84Å
523	H	88.8	Confident	73.7	Confident	50 Å²	50	77.5 Å²	77.5	23%	0.231	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	50.8	41.3	-175.2	-66.2	69.1	0	0	0	112.7	A519 V520 G525 G526 T615	A519-H523 PolarHBondContact O-N 2.86Å; V520-H523 PolarHBondContact O-N 3.39Å; V520-H523 VanDerWaalsContact O-N 3.12Å; H523-G525 VanDerWaalsContact C-N 3.31Å; H523-G525 PolarHBondContact O-N 2.89Å; H523-G526 WeakPolarHBondContact O-CA 3.47Å; H523-G526 PolarHBondContact O-N 2.99Å; H523-T615 PolarHBondContact NE2-OG1 3.23Å; H523-T615 VanDerWaalsContact NE2-OG1 3.17Å
524	L	87.1	Confident	70.5	Confident	7 Å²	7	84.7 Å²	84.7	4%	0.037	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	52.7	44.4	-172	-51.1	-176.9	0	0	0	113	L382 K383 A388 I391 A519 S522 G526 F551	L382-L524 HydrophobicContact CD2-CB 4.12Å; L382-L524 HydrophobicContact CD2-CD1 3.73Å; L382-L524 HydrophobicContact CD2-CG 3.9Å; L382-L524 HydrophobicContact CG-CD1 4.04Å; K383-L524 HydrophobicContact CB-CD1 3.89Å; K383-L524 HydrophobicContact CD-CB 4.24Å; K383-L524 HydrophobicContact CD-CD1 4.11Å; K383-L524 HydrophobicContact CG-CD1 4.3Å; A388-L524 HydrophobicContact CB-CD1 4.46Å; I391-L524 HydrophobicContact CD1-CB 4.39Å; I391-L524 WeakPolarHBondContact CD1-O 3.48Å; A519-L524 HydrophobicContact CB-CD2 3.72Å; A519-L524 WeakPolarHBondContact O-CA 3.36Å; A519-L524 PolarHBondContact O-N 2.72Å; S522-L524 PolarHBondContact O-N 2.83Å; L524-G526 PolarHBondContact O-N 2.91Å; L524-F551 HydrophobicContact CD1-CB 3.82Å; L524-F551 HydrophobicContact CD1-CD2 3.69Å; L524-F551 HydrophobicContact CD1-CE2 4.4Å; L524-F551 HydrophobicContact CD1-CG 3.79Å; L524-F551 HydrophobicContact CD2-CD2 4.31Å; L524-F551 HydrophobicContact CD2-CE2 4.3Å; L524-F551 HydrophobicContact CD2-CG 4.45Å; L524-F551 HydrophobicContact CD2-CZ 4.43Å
525	G	75.8	Confident	67.3	Low	57 Å²	57	93 Å²	93	59%	0.588	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	72.9	10.2	-175.7	0	0	0	0	0	114.6	S522 H523	S522-G525 WeakPolarHBondContact O-CA 3.31Å; S522-G525 PolarHBondContact O-N 3.49Å; H523-G525 VanDerWaalsContact C-N 3.31Å; H523-G525 PolarHBondContact O-N 2.89Å
526	G	64	Low	64.3	Low	36 Å²	36	95.4 Å²	95.4	37%	0.371	50%	0.502	S	S	.	.			trans	-106.2	46.1	-163.2	0	0	0	0	0	116.6	S522 H523 L524	S522-G526 PolarHBondContact O-N 2.84Å; H523-G526 WeakPolarHBondContact O-CA 3.47Å; H523-G526 PolarHBondContact O-N 2.99Å; L524-G526 PolarHBondContact O-N 2.91Å
527	W	52.3	Low	61.2	Low	214 Å²	214	103.4 Å²	103.4	81%	0.811	54%	0.54	S	S	*	.	S	Bend	trans	-89.4	-35.5	168	-143	-47.7	0	0	0	112.5
528	E	39.6	Very low	58	Low	180 Å²	180	106.6 Å²	106.6	84%	0.841	57%	0.572	S	S	*	*	S	Bend	trans	-98	-13.4	-173.2	-63.2	-166.3	141.2	0	0	114.9
529	H	36.7	Very low	55.3	Low	156 Å²	156	109.4 Å²	109.4	72%	0.722	58%	0.577	S	S	*	*			trans	-125.2	95.4	178.7	-72.9	-55.8	0	0	0	112.4	A531	H529-A531 PolarHBondContact O-N 2.91Å
530	R	37.9	Very low	52.4	Low	252 Å²	252	113.2 Å²	113.2	95%	0.951	61%	0.608	S	S	*	*			trans	-61.6	93.5	143.7	-76.6	-174.2	176	-172.7	-2.2	106.9	S532	R530-S532 PolarHBondContact O-N 2.93Å
531	A	34	Very low	49.3	Very low	88 Å²	88	122.3 Å²	122.3	73%	0.727	65%	0.65	S	S	*	*			trans	-58	111.8	176	0	0	0	0	0	108.5	H529 G533	H529-A531 PolarHBondContact O-N 2.91Å; A531-G533 PolarHBondContact O-N 3Å
532	S	32.2	Very low	46.8	Very low	103 Å²	103	118.8 Å²	118.8	72%	0.72	65%	0.645	S	S	*	*			trans	-51.4	130.9	169.7	47.3	0	0	0	0	109	R530 H534	R530-S532 PolarHBondContact O-N 2.93Å; S532-H534 PolarHBondContact O-N 2.95Å
533	G	35.9	Very low	44.7	Very low	69 Å²	69	122.5 Å²	122.5	71%	0.711	67%	0.671	S	S	*	*			trans	-48	107.6	-166	0	0	0	0	0	114.2	A531	A531-G533 PolarHBondContact O-N 3Å
534	H	30.1	Very low	43.2	Very low	180 Å²	180	121.8 Å²	121.8	83%	0.833	67%	0.671	S	S	*	*			trans	-80.1	115.4	147.1	-76.4	-39.9	0	0	0	106.7	S532 D536	S532-H534 PolarHBondContact O-N 2.95Å; H534-D536 PolarHBondContact O-N 3.42Å; H534-D536 VanDerWaalsContact O-N 3.1Å
535	H	32.3	Very low	43	Very low	179 Å²	179	127.8 Å²	127.8	83%	0.829	70%	0.704	S	S	*	*			trans	-58.8	111.8	163.2	-69.9	-87.6	0	0	0	107.1	E537	H535-E537 PolarHBondContact O-N 2.72Å; H535-E537 VanDerWaalsContact O-N 3.07Å
536	D	33.8	Very low	43.7	Very low	120 Å²	120	129.2 Å²	129.2	64%	0.642	69%	0.692	S	S	*	*			trans	-53.2	116.8	161.2	-86.7	-17.6	0	0	0	106.3	K381 H534	K381-D536 IonicContact NZ-OD2 3.99Å; H534-D536 PolarHBondContact O-N 3.42Å; H534-D536 VanDerWaalsContact O-N 3.1Å
537	E	34	Very low	45.2	Very low	175 Å²	175	129.7 Å²	129.7	82%	0.818	69%	0.688	S	S	*	*			trans	-53.6	141.6	-179.4	-65.5	-174.7	133.6	0	0	109.8	H535 W539	H535-E537 PolarHBondContact O-N 2.72Å; H535-E537 VanDerWaalsContact O-N 3.07Å; E537-W539 PolarHBondContact O-N 2.94Å
538	A	31.6	Very low	47.3	Very low	105 Å²	105	121.2 Å²	121.2	87%	0.868	66%	0.658	S	S	*	*			trans	-53.6	103.3	-168.7	0	0	0	0	0	113.1	A540	A538-A540 PolarHBondContact O-N 3.13Å
539	W	38	Very low	50.1	Low	142 Å²	142	113.3 Å²	113.3	54%	0.538	62%	0.622	S	S	.	*			trans	-65.7	129.2	177	-81.6	61.2	0	0	0	109.4	G449 I450 E537 L548	G449-W539 WeakPolarHBondContact O-CZ3 3.37Å; I450-W539 HydrophobicContact CD1-CE3 3.99Å; I450-W539 HydrophobicContact CD1-CZ3 3.9Å; E537-W539 PolarHBondContact O-N 2.94Å; W539-L548 HydrophobicContact CH2-CD1 3.79Å; W539-L548 HydrophobicContact CZ3-CD1 4.14Å
540	A	33.9	Very low	53	Low	82 Å²	82	105.9 Å²	105.9	68%	0.678	59%	0.588	S	S	*	*			trans	-55.7	142.2	175.9	0	0	0	0	0	110.3	A538 S542	A538-A540 PolarHBondContact O-N 3.13Å; A540-S542 VanDerWaalsContact C-N 3.33Å; A540-S542 PolarHBondContact O-N 2.98Å
541	H	33.5	Very low	55.9	Low	197 Å²	197	94 Å²	94	91%	0.912	54%	0.543	S	S	*	.			trans	-63.1	93.3	175.4	-75.6	40.1	0	0	0	109.8
542	S	41.8	Very low	59	Low	54 Å²	54	90.3 Å²	90.3	38%	0.378	51%	0.511	S	S	.	.			trans	-67.2	134.8	170.6	-177	0	0	0	0	109.2	A540 S544	A540-S542 VanDerWaalsContact C-N 3.33Å; A540-S542 PolarHBondContact O-N 2.98Å; S542-S544 WeakPolarHBondContact CB-OG 3.43Å; S542-S544 PolarHBondContact O-N 2.75Å; S542-S544 WeakPolarHBondContact OG-CB 3.5Å; S542-S544 PolarHBondContact OG-N 2.79Å; S542-S544 PolarHBondContact OG-OG 2.84Å
543	S	46.5	Very low	62.1	Low	127 Å²	127	86.1 Å²	86.1	89%	0.888	48%	0.481	S	S	*	.			trans	-75.6	6.5	171.8	53.7	0	0	0	0	113.3
544	S	57.2	Low	65	Low	34 Å²	34	83.2 Å²	83.2	24%	0.238	45%	0.45	C	S	.	.			trans	-77.1	128.2	177.8	60.8	0	0	0	0	112.2	P451 S542 Y546	P451-S544 WeakPolarHBondContact O-CB 3.32Å; S542-S544 WeakPolarHBondContact CB-OG 3.43Å; S542-S544 PolarHBondContact O-N 2.75Å; S542-S544 WeakPolarHBondContact OG-CB 3.5Å; S542-S544 PolarHBondContact OG-N 2.79Å; S542-S544 PolarHBondContact OG-OG 2.84Å; S544-Y546 PolarHBondContact O-N 3.47Å; S544-Y546 PolarHBondContact OG-O 2.87Å
545	N	81.9	Confident	68.2	Low	134 Å²	134	79 Å²	79	72%	0.717	43%	0.434	S	S	*	.	S	Bend	trans	-67.6	10.7	169.5	-77.2	-27.2	0	0	0	114.5	R623	N545-R623 WeakPolarHBondContact O-CD 3.46Å
546	Y	91.5	Very high	71.3	Confident	87 Å²	87	71.1 Å²	71.1	34%	0.341	40%	0.397	S	S	.	.			trans	-117.3	149.2	-175.2	-65.6	-81.4	0	0	0	111.3	V454 S544 E622	V454-Y546 HydrophobicContact CG2-CD1 4.43Å; V454-Y546 HydrophobicContact CG2-CE1 3.82Å; S544-Y546 PolarHBondContact O-N 3.47Å; S544-Y546 PolarHBondContact OG-O 2.87Å; Y546-E622 CarbonylContact C-O 3.22Å; Y546-E622 VanDerWaalsContact CA-O 3.23Å; Y546-E622 WeakPolarHBondContact CA-O 3.41Å; Y546-E622 HydrophobicContact CD1-CB 4.11Å; Y546-E622 WeakPolarHBondContact CD1-O 3.19Å; Y546-E622 HydrophobicContact CE1-CB 4.25Å; Y546-E622 HydrophobicContact CE1-CG 4.49Å
547	T	94.4	Very high	74.4	Confident	45 Å²	45	69.8 Å²	69.8	28%	0.276	40%	0.398	S	S	.	.			trans	-105.9	156	168	56.5	0	0	0	0	110.2	E622 R623 A624	T547-E622 PolarHBondContact N-O 3.39Å; T547-R623 WeakPolarHBondContact OG1-CA 3.44Å; T547-A624 PolarHBondContact OG1-N 2.84Å; T547-A624 VanDerWaalsContact OG1-N 3.16Å
548	L	96.8	Very high	77.5	Confident	36 Å²	36	61.7 Å²	61.7	19%	0.188	36%	0.36	C	S	.	.			trans	-59.1	141.5	170	-87.8	179.6	0	0	0	110.8	T384 A446 G449 P451 W539 A550	T384-L548 HydrophobicContact CG2-CB 4.09Å; T384-L548 HydrophobicContact CG2-CD1 3.98Å; A446-L548 HydrophobicContact CB-CD2 3.74Å; G449-L548 VanDerWaalsContact O-CD1 3.24Å; G449-L548 WeakPolarHBondContact O-CD1 3.49Å; G449-L548 WeakPolarHBondContact O-CD2 3.34Å; G449-L548 WeakPolarHBondContact O-CG 3.45Å; P451-L548 HydrophobicContact CG-CD2 4.23Å; P451-L548 HydrophobicContact CG-CG 4.05Å; W539-L548 HydrophobicContact CH2-CD1 3.79Å; W539-L548 HydrophobicContact CZ3-CD1 4.14Å; L548-A550 PolarHBondContact O-N 2.87Å
549	P	98.4	Very high	80.5	Confident	15 Å²	15	60 Å²	60	10%	0.097	34%	0.34	C	S	.	.			trans	-53.4	124.7	170	-28	35.4	0	0	0	111.7	T384 V385 Y444 L476 E620 L621	T384-P549 WeakPolarHBondContact CA-O 3.45Å; V385-P549 HydrophobicContact CB-CB 4.44Å; V385-P549 HydrophobicContact CG2-CB 3.91Å; V385-P549 PolarHBondContact N-O 2.83Å; Y444-P549 HydrophobicContact CG-CG 4.41Å; L476-P549 HydrophobicContact CD2-CB 3.53Å; L476-P549 HydrophobicContact CD2-CG 3.8Å; P549-E620 VanDerWaalsContact CA-O 3.28Å; P549-E620 WeakPolarHBondContact CA-O 3.36Å; P549-L621 HydrophobicContact CB-CD2 4.37Å
550	A	98.1	Very high	83.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	150.1	-170.4	0	0	0	0	0	113.4	K381 K383 T384 L548 Y552 L619 E620	K381-A550 HydrophobicContact CG-CB 4.44Å; K383-A550 WeakPolarHBondContact O-CA 3.48Å; T384-A550 HydrophobicContact CG2-CB 4.26Å; L548-A550 PolarHBondContact O-N 2.87Å; A550-Y552 HydrophobicContact CB-CD2 4.47Å; A550-Y552 HydrophobicContact CB-CE2 3.73Å; A550-Y552 WeakPolarHBondContact O-CD2 3.29Å; A550-Y552 WeakPolarHBondContact O-CE2 3.44Å; A550-L619 WeakPolarHBondContact O-CA 3.2Å; A550-E620 PolarHBondContact N-O 3.32Å; A550-E620 PolarHBondContact O-N 2.84Å
551	F	98.6	Very high	86.1	Confident	1 Å²	1	57.2 Å²	57.2	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	172.7	-64.2	-89	0	0	0	110.2	L382 K383 V385 L392 V520 L524 W582 T617 V618 L619	L382-F551 PolarHBondContact N-O 2.86Å; K383-F551 PolarHBondContact O-N 2.96Å; V385-F551 HydrophobicContact CG2-CE2 4.01Å; L392-F551 HydrophobicContact CD1-CE2 4.19Å; L392-F551 HydrophobicContact CD2-CE2 4.37Å; L392-F551 HydrophobicContact CD2-CZ 4.12Å; V520-F551 HydrophobicContact CG2-CD1 4.26Å; V520-F551 HydrophobicContact CG2-CE1 3.84Å; L524-F551 HydrophobicContact CD1-CB 3.82Å; L524-F551 HydrophobicContact CD1-CD2 3.69Å; L524-F551 HydrophobicContact CD1-CE2 4.4Å; L524-F551 HydrophobicContact CD1-CG 3.79Å; L524-F551 HydrophobicContact CD2-CD2 4.31Å; L524-F551 HydrophobicContact CD2-CE2 4.3Å; L524-F551 HydrophobicContact CD2-CG 4.45Å; L524-F551 HydrophobicContact CD2-CZ 4.43Å; F551-W582 HydrophobicContact CE1-CZ3 4.49Å; F551-T617 HydrophobicContact CD1-CG2 3.95Å; F551-V618 CarbonylContact C-O 3.4Å; F551-V618 WeakPolarHBondContact CA-O 3.3Å; F551-L619 HydrophobicContact CD1-CB 4.02Å; F551-L619 HydrophobicContact CD1-CD1 4.29Å; F551-L619 HydrophobicContact CD2-CD1 4.25Å; F551-L619 HydrophobicContact CE1-CB 3.92Å; F551-L619 HydrophobicContact CE1-CD1 4.15Å; F551-L619 HydrophobicContact CE1-CD2 4.08Å; F551-L619 HydrophobicContact CE1-CG 4.26Å; F551-L619 HydrophobicContact CE2-CD1 4.09Å; F551-L619 HydrophobicContact CG-CD1 4.35Å; F551-L619 HydrophobicContact CZ-CD1 4.04Å; F551-L619 HydrophobicContact CZ-CD2 4.03Å; F551-L619 HydrophobicContact CZ-CG 4.44Å
552	Y	98	Very high	89	Confident	12 Å²	12	51.6 Å²	51.6	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.2	174.6	-63.6	-98.8	0	0	0	108.7	E380 K381 A550 W576 T617 V618 E620 A624 C626	E380-Y552 CarbonylContact O-C 3.43Å; E380-Y552 WeakPolarHBondContact O-CA 3.42Å; K381-Y552 HydrophobicContact CB-CD1 3.87Å; K381-Y552 HydrophobicContact CB-CE1 3.57Å; K381-Y552 HydrophobicContact CG-CD1 4.45Å; K381-Y552 HydrophobicContact CG-CE1 3.94Å; A550-Y552 HydrophobicContact CB-CD2 4.47Å; A550-Y552 HydrophobicContact CB-CE2 3.73Å; A550-Y552 WeakPolarHBondContact O-CD2 3.29Å; A550-Y552 WeakPolarHBondContact O-CE2 3.44Å; Y552-W576 HydrophobicContact CD1-CH2 4.05Å; Y552-W576 AromaticContact CD2-CH2 3.97Å; Y552-W576 HydrophobicContact CD2-CH2 3.97Å; Y552-W576 AromaticContact CD2-CZ3 3.72Å; Y552-W576 HydrophobicContact CD2-CZ3 3.72Å; Y552-W576 HydrophobicContact CE2-CZ3 4.19Å; Y552-W576 AromaticContact CG-CH2 3.65Å; Y552-W576 HydrophobicContact CG-CH2 3.65Å; Y552-W576 AromaticContact CG-CZ3 3.93Å; Y552-W576 HydrophobicContact CG-CZ3 3.93Å; Y552-T617 CarbonylContact O-C 3.6Å; Y552-T617 WeakPolarHBondContact O-CA 3.32Å; Y552-V618 PolarHBondContact N-O 2.73Å; Y552-V618 PolarHBondContact O-N 3.01Å; Y552-E620 HydrophobicContact CD2-CB 4.37Å; Y552-E620 HydrophobicContact CE2-CB 4.18Å; Y552-A624 HydrophobicContact CE1-CB 4.09Å; Y552-A624 HydrophobicContact CE2-CB 3.74Å; Y552-A624 VanDerWaalsContact CZ-CB 3.44Å; Y552-A624 VanDerWaalsContact OH-CB 3.29Å; Y552-A624 WeakPolarHBondContact OH-CB 3.39Å; Y552-C626 HydrophobicContact CD1-CB 4.32Å; Y552-C626 HydrophobicContact CE1-CB 3.59Å; Y552-C626 WeakPolarHBondContact CE1-SG 3.44Å
553	V	97.9	Very high	91.5	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.1	-172.8	178.2	0	0	0	0	110.3	L379 E380 L382 T615 I616 T617	L379-V553 CarbonylContact C-O 3.54Å; L379-V553 WeakPolarHBondContact CA-O 3.39Å; E380-V553 PolarHBondContact N-O 3.13Å; E380-V553 PolarHBondContact O-N 2.91Å; L382-V553 HydrophobicContact CB-CG2 4.03Å; L382-V553 HydrophobicContact CD2-CG2 3.7Å; L382-V553 HydrophobicContact CG-CG2 4.5Å; V553-T615 HydrophobicContact CG1-CG2 3.63Å; V553-I616 WeakPolarHBondContact CA-O 3.39Å; V553-T617 HydrophobicContact CG2-CG2 4.1Å
554	G	96.6	Very high	93.8	Very high	7 Å²	7	54.4 Å²	54.4	7%	0.072	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158.2	174.9	0	0	0	0	0	110.5	I616	G554-I616 PolarHBondContact N-O 2.93Å; G554-I616 VanDerWaalsContact N-O 3.12Å; G554-I616 PolarHBondContact O-N 2.96Å
555	N	97.5	Very high	95.7	Very high	92 Å²	92	54.1 Å²	54.1	49%	0.492	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.3	-173.9	-65.3	-59.7	0	0	0	111.4	P613 N614 T615	N555-P613 HydrophobicContact CB-CB 4.13Å; N555-N614 VanDerWaalsContact CA-O 3.27Å; N555-N614 WeakPolarHBondContact CA-O 3.24Å; N555-T615 VanDerWaalsContact OD1-CA 3.29Å; N555-T615 WeakPolarHBondContact OD1-CA 3.33Å; N555-T615 WeakPolarHBondContact OD1-CB 3.29Å; N555-T615 PolarHBondContact OD1-OG1 2.86Å
556	F	98.1	Very high	96.5	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143	173.3	75.2	-78	0	0	0	112.4	Y374 I377 I558 L608 N614 I616 F638	Y374-F556 HydrophobicContact CD1-CE2 4.16Å; Y374-F556 HydrophobicContact CD2-CE2 4.46Å; Y374-F556 HydrophobicContact CG-CE2 4.04Å; I377-F556 HydrophobicContact CD1-CB 3.5Å; I377-F556 HydrophobicContact CD1-CG 4.07Å; I377-F556 HydrophobicContact CG1-CB 3.95Å; I377-F556 HydrophobicContact CG1-CD1 4.3Å; I377-F556 HydrophobicContact CG1-CG 4.15Å; I377-F556 HydrophobicContact CG2-CB 4.24Å; F556-I558 HydrophobicContact CD2-CG1 4.18Å; F556-I558 HydrophobicContact CE2-CD1 3.91Å; F556-I558 HydrophobicContact CE2-CG1 3.85Å; F556-L608 HydrophobicContact CZ-CD2 4Å; F556-N614 HydrophobicContact CD1-CB 3.81Å; F556-N614 HydrophobicContact CE1-CB 3.5Å; F556-N614 VanDerWaalsContact CE1-CB 3.5Å; F556-N614 HydrophobicContact CE2-CB 4.39Å; F556-N614 HydrophobicContact CG-CB 4.39Å; F556-N614 HydrophobicContact CZ-CB 3.82Å; F556-N614 PolarHBondContact N-O 3.02Å; F556-N614 WeakPolarHBondContact O-CB 3.32Å; F556-N614 PolarHBondContact O-N 2.77Å; F556-N614 PolarHBondContact O-ND2 3.23Å; F556-I616 HydrophobicContact CD1-CD1 3.94Å; F556-I616 HydrophobicContact CD1-CG1 4Å; F556-I616 HydrophobicContact CE1-CD1 4.05Å; F556-I616 HydrophobicContact CE1-CG1 3.92Å; F556-F638 HydrophobicContact CD1-CE2 4Å; F556-F638 HydrophobicContact CD1-CZ 4.46Å; F556-F638 AromaticContact CE1-CE2 3.57Å; F556-F638 HydrophobicContact CE1-CE2 3.57Å; F556-F638 AromaticContact CE1-CZ 3.64Å; F556-F638 HydrophobicContact CE1-CZ 3.64Å; F556-F638 HydrophobicContact CE2-CE2 4.25Å; F556-F638 AromaticContact CZ-CE2 3.71Å; F556-F638 HydrophobicContact CZ-CE2 3.71Å; F556-F638 AromaticContact CZ-CZ 3.75Å; F556-F638 HydrophobicContact CZ-CZ 3.75Å
557	S	98.1	Very high	96.8	Very high	92 Å²	92	46.5 Å²	46.5	64%	0.643	29%	0.294	S	S	*	.			trans	-104	136.9	-177.7	-61.2	0	0	0	0	111
558	I	98.1	Very high	97.1	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	28%	0.281	C	S	.	.			trans	-107	128.8	172	-54.5	173.7	0	0	0	107.4	Y374 F556 S560 L565 P566 L608 T610	Y374-I558 HydrophobicContact CD1-CD1 4.46Å; Y374-I558 HydrophobicContact CD1-CG1 4.21Å; Y374-I558 HydrophobicContact CE1-CD1 3.74Å; Y374-I558 HydrophobicContact CE1-CG1 3.73Å; Y374-I558 HydrophobicContact CE1-CG2 4.06Å; F556-I558 HydrophobicContact CD2-CG1 4.18Å; F556-I558 HydrophobicContact CE2-CD1 3.91Å; F556-I558 HydrophobicContact CE2-CG1 3.85Å; I558-S560 PolarHBondContact O-N 3.36Å; I558-L565 HydrophobicContact CG2-CB 3.97Å; I558-L565 HydrophobicContact CG2-CD1 4.23Å; I558-L565 HydrophobicContact CG2-CD2 4.27Å; I558-L565 HydrophobicContact CG2-CG 4.41Å; I558-P566 HydrophobicContact CD1-CB 3.96Å; I558-L608 HydrophobicContact CD1-CB 3.8Å; I558-L608 HydrophobicContact CD1-CD1 4.03Å; I558-L608 HydrophobicContact CD1-CG 4.4Å; I558-T610 HydrophobicContact CB-CG2 4.02Å; I558-T610 HydrophobicContact CG2-CG2 3.78Å; I558-T610 WeakPolarHBondContact O-CA 3.26Å; I558-T610 WeakPolarHBondContact O-CB 3.27Å
559	P	96.1	Very high	97.2	Very high	69 Å²	69	42.7 Å²	42.7	45%	0.448	27%	0.272	S	S	.	.			trans	-64	128.8	-175.4	25.5	-35.7	0	0	0	112.6	I562 L565	P559-I562 HydrophobicContact CB-CD1 4.09Å; P559-I562 HydrophobicContact CB-CG1 4.44Å; P559-I562 HydrophobicContact CG-CD1 3.66Å; P559-I562 HydrophobicContact CG-CG1 4.34Å; P559-L565 HydrophobicContact CG-CD1 3.92Å
560	S	94.8	Very high	97.2	Very high	86 Å²	86	42 Å²	42	60%	0.601	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	148	172.7	62	0	0	0	0	112.5	I558 I562	I558-S560 PolarHBondContact O-N 3.36Å; S560-I562 VanDerWaalsContact C-N 3.35Å
561	G	93.2	Very high	97.2	Very high	79 Å²	79	42 Å²	42	81%	0.814	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	3	173.2	0	0	0	0	0	115.1
562	I	95.5	Very high	97.2	Very high	79 Å²	79	44.2 Å²	44.2	41%	0.405	28%	0.278	S	S	.	.			trans	-87.5	117.2	166.5	-58.3	-166.9	0	0	0	107.7	P559 S560 D564 L565	P559-I562 HydrophobicContact CB-CD1 4.09Å; P559-I562 HydrophobicContact CB-CG1 4.44Å; P559-I562 HydrophobicContact CG-CD1 3.66Å; P559-I562 HydrophobicContact CG-CG1 4.34Å; S560-I562 VanDerWaalsContact C-N 3.35Å; I562-D564 VanDerWaalsContact C-N 3.26Å; I562-D564 PolarHBondContact O-N 3.06Å; I562-L565 HydrophobicContact CB-CB 4.3Å; I562-L565 HydrophobicContact CB-CD1 4.2Å; I562-L565 HydrophobicContact CD1-CD1 4.16Å; I562-L565 HydrophobicContact CG2-CB 4.33Å; I562-L565 HydrophobicContact CG2-CD1 4.03Å; I562-L565 HydrophobicContact CG2-CG 4.22Å; I562-L565 PolarHBondContact O-N 3.1Å
563	P	94.8	Very high	97.2	Very high	122 Å²	122	43.8 Å²	43.8	79%	0.792	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.1	-171.4	-28.1	36.1	0	0	0	114.9
564	D	94.9	Very high	97.1	Very high	118 Å²	118	46.3 Å²	46.3	63%	0.631	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	22.5	-176.5	-51.8	-64.2	0	0	0	112.9	I562 Q567	I562-D564 VanDerWaalsContact C-N 3.26Å; I562-D564 PolarHBondContact O-N 3.06Å; D564-Q567 WeakPolarHBondContact O-CG 3.42Å; D564-Q567 PolarHBondContact O-NE2 3.01Å
565	L	96.9	Very high	97	Very high	29 Å²	29	48.1 Å²	48.1	15%	0.152	31%	0.312	C	S	.	.			trans	-130.8	141.9	173	-78.4	172.6	0	0	0	111.5	F372 Y374 I558 P559 I562 Q567	F372-L565 HydrophobicContact CD2-CD2 4.35Å; F372-L565 HydrophobicContact CG-CD2 4.29Å; Y374-L565 HydrophobicContact CE1-CD2 4.04Å; Y374-L565 WeakPolarHBondContact OH-CD2 3.48Å; I558-L565 HydrophobicContact CG2-CB 3.97Å; I558-L565 HydrophobicContact CG2-CD1 4.23Å; I558-L565 HydrophobicContact CG2-CD2 4.27Å; I558-L565 HydrophobicContact CG2-CG 4.41Å; P559-L565 HydrophobicContact CG-CD1 3.92Å; I562-L565 HydrophobicContact CB-CB 4.3Å; I562-L565 HydrophobicContact CB-CD1 4.2Å; I562-L565 HydrophobicContact CD1-CD1 4.16Å; I562-L565 HydrophobicContact CG2-CB 4.33Å; I562-L565 HydrophobicContact CG2-CD1 4.03Å; I562-L565 HydrophobicContact CG2-CG 4.22Å; I562-L565 PolarHBondContact O-N 3.1Å; L565-Q567 HydrophobicContact CD2-CG 4.2Å
566	P	98.2	Very high	96.9	Very high	30 Å²	30	44.1 Å²	44.1	20%	0.195	29%	0.29	C	S	.	.	S	Bend	cis	-73.1	165.5	1.7	33.6	-37.2	0	0	0	113.2	Y374 I558 Q605 L608	Y374-P566 WeakPolarHBondContact OH-CA 3.35Å; I558-P566 HydrophobicContact CD1-CB 3.96Å; P566-Q605 HydrophobicContact CB-CB 4.47Å; P566-Q605 HydrophobicContact CG-CB 4.41Å; P566-Q605 WeakPolarHBondContact CG-O 3.49Å; P566-Q605 PolarHBondContact O-OE1 3.33Å; P566-L608 HydrophobicContact CB-CB 3.72Å; P566-L608 HydrophobicContact CB-CD1 4.2Å; P566-L608 HydrophobicContact CG-CB 4.1Å
567	Q	98.7	Very high	96.9	Very high	31 Å²	31	44 Å²	44	15%	0.145	29%	0.291	C	S	.	.			trans	-122.2	165.9	173.4	-65.6	-174.7	9.4	0	0	110.3	P370 F372 Y374 D564 L565 Q605	P370-Q567 VanDerWaalsContact CB-CD 3.49Å; P370-Q567 HydrophobicContact CB-CG 4.12Å; P370-Q567 VanDerWaalsContact CB-OE1 3.25Å; F372-Q567 HydrophobicContact CB-CB 3.79Å; F372-Q567 HydrophobicContact CB-CG 4.34Å; Y374-Q567 PolarHBondContact OH-N 3.39Å; D564-Q567 WeakPolarHBondContact O-CG 3.42Å; D564-Q567 PolarHBondContact O-NE2 3.01Å; L565-Q567 HydrophobicContact CD2-CG 4.2Å; Q567-Q605 WeakPolarHBondContact O-CB 3.43Å
568	D	98.9	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-61.5	149.6	168.9	-79.3	-18.5	0	0	0	109.4	Y64 T369 P370 K371 F372 F602 P604 Q605	Y64-D568 PolarHBondContact OH-OD1 2.82Å; Y64-D568 PolarHBondContact OH-OD2 3.02Å; Y64-D568 VanDerWaalsContact OH-OD2 3.11Å; T369-D568 VanDerWaalsContact CB-OD2 3.28Å; T369-D568 WeakPolarHBondContact CB-OD2 3.03Å; T369-D568 PolarHBondContact OG1-OD2 3.17Å; P370-D568 PolarHBondContact O-N 3.41Å; K371-D568 CarbonylContact C-O 3.24Å; K371-D568 VanDerWaalsContact CA-O 3.25Å; K371-D568 WeakPolarHBondContact CA-O 3.4Å; K371-D568 HydrophobicContact CD-CB 3.59Å; F372-D568 PolarHBondContact N-O 3.46Å; D568-F602 HydrophobicContact CB-CE2 3.98Å; D568-P604 VanDerWaalsContact OD1-CA 3.32Å; D568-P604 WeakPolarHBondContact OD1-CA 3.5Å; D568-Q605 PolarHBondContact OD1-N 3.02Å
569	T	98.9	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	174.3	178.7	-169.7	0	0	0	0	110.5	F372 Y374 V603 L608 F638 V639	F372-T569 WeakPolarHBondContact O-CB 3.4Å; F372-T569 PolarHBondContact O-OG1 2.73Å; Y374-T569 HydrophobicContact CD2-CG2 3.84Å; Y374-T569 HydrophobicContact CE2-CG2 3.89Å; T569-V603 HydrophobicContact CG2-CB 3.56Å; T569-V603 HydrophobicContact CG2-CG1 3.79Å; T569-V603 HydrophobicContact CG2-CG2 4.15Å; T569-V603 PolarHBondContact N-O 2.82Å; T569-V603 WeakPolarHBondContact O-CB 3.19Å; T569-V603 PolarHBondContact O-N 3.03Å; T569-L608 HydrophobicContact CG2-CD1 4.35Å; T569-F638 HydrophobicContact CG2-CD1 3.54Å; T569-F638 HydrophobicContact CG2-CE1 4.02Å; T569-F638 HydrophobicContact CG2-CG 4.37Å; T569-V639 PolarHBondContact OG1-O 2.89Å
570	F	98.9	Very high	97.1	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.4	176.1	-62.2	-83.5	0	0	0	109.5	A340 K371 T600 L601 F602 F638 V639 P642	A340-F570 HydrophobicContact CB-CE1 4.41Å; A340-F570 HydrophobicContact CB-CZ 3.89Å; K371-F570 HydrophobicContact CD-CE2 3.76Å; K371-F570 HydrophobicContact CD-CZ 4.33Å; K371-F570 HydrophobicContact CG-CE2 4.13Å; F570-T600 HydrophobicContact CB-CG2 4.28Å; F570-L601 CarbonylContact C-O 3.6Å; F570-L601 VanDerWaalsContact CA-O 3.29Å; F570-L601 WeakPolarHBondContact CA-O 3.35Å; F570-F602 HydrophobicContact CD1-CB 4.18Å; F570-F602 HydrophobicContact CD1-CD2 4.37Å; F570-F602 HydrophobicContact CE1-CB 3.97Å; F570-F602 AromaticContact CE1-CD2 3.84Å; F570-F602 HydrophobicContact CE1-CD2 3.84Å; F570-F602 HydrophobicContact CE1-CG 4.32Å; F570-F602 HydrophobicContact CZ-CD2 4.25Å; F570-F638 CarbonylContact O-C 3.54Å; F570-F638 WeakPolarHBondContact O-CA 3.29Å; F570-V639 HydrophobicContact CB-CG2 3.99Å; F570-V639 PolarHBondContact N-O 2.82Å; F570-V639 PolarHBondContact O-N 2.88Å; F570-P642 HydrophobicContact CD1-CB 3.94Å; F570-P642 HydrophobicContact CE1-CB 3.7Å; F570-P642 HydrophobicContact CE1-CG 4.23Å; F570-P642 HydrophobicContact CE2-CB 4.46Å; F570-P642 HydrophobicContact CE2-CG 4.39Å; F570-P642 HydrophobicContact CG-CB 4.43Å; F570-P642 HydrophobicContact CZ-CB 3.98Å; F570-P642 HydrophobicContact CZ-CG 4Å
571	I	98.9	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.7	178.1	-173.3	169.7	0	0	0	110.4	F573 V581 I583 L588 T600 L601 V603 I616 V636 E637 F638	I571-F573 HydrophobicContact CB-CE2 4.42Å; I571-F573 HydrophobicContact CB-CZ 4.28Å; I571-F573 HydrophobicContact CD1-CE1 4.03Å; I571-F573 HydrophobicContact CD1-CZ 3.74Å; I571-F573 HydrophobicContact CG1-CE1 4.18Å; I571-F573 HydrophobicContact CG1-CE2 4.07Å; I571-F573 HydrophobicContact CG1-CZ 3.65Å; I571-F573 HydrophobicContact CG2-CE2 3.88Å; I571-F573 HydrophobicContact CG2-CZ 3.76Å; I571-V581 HydrophobicContact CD1-CG2 4.2Å; I571-I583 HydrophobicContact CD1-CD1 4.45Å; I571-L588 HydrophobicContact CG2-CD1 4.11Å; I571-T600 CarbonylContact O-C 3.07Å; I571-T600 VanDerWaalsContact O-CA 3.28Å; I571-T600 WeakPolarHBondContact O-CA 3.49Å; I571-L601 HydrophobicContact CG2-CB 3.88Å; I571-L601 PolarHBondContact N-O 2.85Å; I571-L601 PolarHBondContact O-N 2.8Å; I571-V603 HydrophobicContact CB-CG2 3.99Å; I571-V603 HydrophobicContact CG2-CG2 3.68Å; I571-I616 HydrophobicContact CD1-CG2 4.17Å; I571-V636 HydrophobicContact CD1-CB 4.06Å; I571-V636 HydrophobicContact CD1-CG1 4.38Å; I571-V636 HydrophobicContact CD1-CG2 3.96Å; I571-V636 HydrophobicContact CG1-CB 4.15Å; I571-V636 HydrophobicContact CG1-CG2 4.45Å; I571-E637 CarbonylContact C-O 3.53Å; I571-E637 WeakPolarHBondContact CA-O 3.28Å; I571-F638 HydrophobicContact CB-CD1 3.93Å; I571-F638 HydrophobicContact CB-CE1 3.78Å; I571-F638 HydrophobicContact CD1-CE1 4Å; I571-F638 HydrophobicContact CD1-CZ 4.05Å; I571-F638 HydrophobicContact CG1-CD1 4.34Å; I571-F638 HydrophobicContact CG1-CE1 4.07Å; I571-F638 HydrophobicContact CG1-CZ 4.49Å
572	Q	97.8	Very high	97.6	Very high	47 Å²	47	28.5 Å²	28.5	22%	0.22	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.1	175.6	66.6	176.2	14.3	0	0	112.3	P574 T600 E637 V639	Q572-P574 VanDerWaalsContact C-CD 3.44Å; Q572-P574 WeakPolarHBondContact O-CD 3.49Å; Q572-T600 HydrophobicContact CB-CG2 4.12Å; Q572-E637 HydrophobicContact CG-CB 3.81Å; Q572-E637 HydrophobicContact CG-CG 4.39Å; Q572-E637 WeakPolarHBondContact CG-O 3.36Å; Q572-E637 PolarHBondContact N-O 3.19Å; Q572-E637 PolarHBondContact NE2-OE2 3.1Å; Q572-E637 PolarHBondContact O-N 3.36Å; Q572-V639 HydrophobicContact CG-CG1 4.25Å
573	F	98.1	Very high	97.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.018	15%	0.152	C	C	.	.			trans	-125	63.6	-168.3	-55.7	-92.7	0	0	0	111.8	I571 G575 W576 V581 Y591 P593 L601 V618 V636	I571-F573 HydrophobicContact CB-CE2 4.42Å; I571-F573 HydrophobicContact CB-CZ 4.28Å; I571-F573 HydrophobicContact CD1-CE1 4.03Å; I571-F573 HydrophobicContact CD1-CZ 3.74Å; I571-F573 HydrophobicContact CG1-CE1 4.18Å; I571-F573 HydrophobicContact CG1-CE2 4.07Å; I571-F573 HydrophobicContact CG1-CZ 3.65Å; I571-F573 HydrophobicContact CG2-CE2 3.88Å; I571-F573 HydrophobicContact CG2-CZ 3.76Å; F573-G575 PolarHBondContact O-N 3.2Å; F573-W576 VanDerWaalsContact C-CD1 3.48Å; F573-W576 HydrophobicContact CB-CB 3.86Å; F573-W576 HydrophobicContact CB-CG 3.96Å; F573-W576 PolarHBondContact O-N 3.21Å; F573-V581 HydrophobicContact CE1-CB 4.06Å; F573-V581 HydrophobicContact CE1-CG1 4.31Å; F573-V581 HydrophobicContact CE1-CG2 3.95Å; F573-V581 HydrophobicContact CE2-CG1 4.45Å; F573-V581 HydrophobicContact CZ-CB 3.9Å; F573-V581 HydrophobicContact CZ-CG1 3.65Å; F573-V581 HydrophobicContact CZ-CG2 3.9Å; F573-Y591 HydrophobicContact CB-CD2 3.91Å; F573-Y591 HydrophobicContact CB-CE2 4.25Å; F573-Y591 HydrophobicContact CB-CG 4.47Å; F573-Y591 HydrophobicContact CD1-CD1 4.05Å; F573-Y591 HydrophobicContact CD1-CD2 4.07Å; F573-Y591 HydrophobicContact CD1-CE1 4.17Å; F573-Y591 HydrophobicContact CD1-CE2 4.24Å; F573-Y591 HydrophobicContact CD1-CG 4.02Å; F573-Y591 HydrophobicContact CD2-CD1 4.44Å; F573-Y591 HydrophobicContact CD2-CD2 4.08Å; F573-Y591 AromaticContact CD2-CG 3.8Å; F573-Y591 HydrophobicContact CD2-CG 3.8Å; F573-Y591 AromaticContact CE1-CD1 3.95Å; F573-Y591 HydrophobicContact CE1-CD1 3.95Å; F573-Y591 HydrophobicContact CE1-CE1 4.22Å; F573-Y591 HydrophobicContact CE1-CG 4.25Å; F573-Y591 HydrophobicContact CE2-CD1 4.35Å; F573-Y591 HydrophobicContact CE2-CG 4.05Å; F573-Y591 HydrophobicContact CG-CD1 4.33Å; F573-Y591 AromaticContact CG-CD2 3.74Å; F573-Y591 HydrophobicContact CG-CD2 3.74Å; F573-Y591 HydrophobicContact CG-CE2 4.24Å; F573-Y591 AromaticContact CG-CG 3.82Å; F573-Y591 HydrophobicContact CG-CG 3.82Å; F573-Y591 HydrophobicContact CZ-CD1 4.13Å; F573-Y591 HydrophobicContact CZ-CG 4.28Å; F573-P593 HydrophobicContact CB-CG 4.34Å; F573-L601 HydrophobicContact CE2-CD1 4.26Å; F573-V618 HydrophobicContact CE1-CG2 3.99Å; F573-V636 HydrophobicContact CD1-CG1 3.59Å; F573-V636 HydrophobicContact CE1-CG1 3.73Å
574	P	95.9	Very high	97.9	Very high	67 Å²	67	21.8 Å²	21.8	44%	0.435	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	127.8	-179.3	28	-34.5	0	0	0	111.5	Q572 W576	Q572-P574 VanDerWaalsContact C-CD 3.44Å; Q572-P574 WeakPolarHBondContact O-CD 3.49Å; P574-W576 VanDerWaalsContact O-CD1 3.3Å; P574-W576 PolarHBondContact O-N 3.2Å
575	G	94	Very high	98.1	Very high	45 Å²	45	17.1 Å²	17.1	46%	0.464	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-17.2	179.8	0	0	0	0	0	115.6	F573	F573-G575 PolarHBondContact O-N 3.2Å
576	W	97.1	Very high	98.2	Very high	8 Å²	8	18.2 Å²	18.2	3%	0.03	11%	0.113	C	C	.	.			trans	-72.1	167.8	168.6	-56.4	78.5	0	0	0	111	L379 Y552 F573 P574 Y591 V618 E620 A624 P625 A635	L379-W576 HydrophobicContact CD1-CH2 3.9Å; L379-W576 HydrophobicContact CD1-CZ2 3.77Å; L379-W576 HydrophobicContact CG-CZ2 4.41Å; Y552-W576 HydrophobicContact CD1-CH2 4.05Å; Y552-W576 AromaticContact CD2-CH2 3.97Å; Y552-W576 HydrophobicContact CD2-CH2 3.97Å; Y552-W576 AromaticContact CD2-CZ3 3.72Å; Y552-W576 HydrophobicContact CD2-CZ3 3.72Å; Y552-W576 HydrophobicContact CE2-CZ3 4.19Å; Y552-W576 AromaticContact CG-CH2 3.65Å; Y552-W576 HydrophobicContact CG-CH2 3.65Å; Y552-W576 AromaticContact CG-CZ3 3.93Å; Y552-W576 HydrophobicContact CG-CZ3 3.93Å; F573-W576 VanDerWaalsContact C-CD1 3.48Å; F573-W576 HydrophobicContact CB-CB 3.86Å; F573-W576 HydrophobicContact CB-CG 3.96Å; F573-W576 PolarHBondContact O-N 3.21Å; P574-W576 VanDerWaalsContact O-CD1 3.3Å; P574-W576 PolarHBondContact O-N 3.2Å; W576-Y591 HydrophobicContact CB-CE2 3.82Å; W576-V618 HydrophobicContact CD2-CG1 4.48Å; W576-V618 HydrophobicContact CE3-CG1 3.77Å; W576-V618 HydrophobicContact CH2-CB 4.47Å; W576-V618 HydrophobicContact CH2-CG1 4.09Å; W576-V618 HydrophobicContact CZ3-CB 4.35Å; W576-V618 HydrophobicContact CZ3-CG1 3.54Å; W576-E620 HydrophobicContact CE3-CB 3.72Å; W576-E620 HydrophobicContact CE3-CG 3.92Å; W576-E620 HydrophobicContact CZ3-CB 3.74Å; W576-E620 HydrophobicContact CZ3-CG 4.28Å; W576-A624 HydrophobicContact CE3-CB 4.3Å; W576-A624 HydrophobicContact CZ3-CB 3.99Å; W576-P625 HydrophobicContact CD2-CG 4.02Å; W576-P625 HydrophobicContact CG-CG 4.02Å; W576-P625 HydrophobicContact CZ2-CG 4.32Å; W576-A635 PolarHBondContact NE1-O 3.3Å
577	T	97.7	Very high	98.2	Very high	13 Å²	13	17.3 Å²	17.3	8%	0.08	11%	0.106	C	C	.	.			trans	-121	-64.9	-170.5	-51.6	0	0	0	0	111.7	W592 P593 A594 E620 E622 R623	T577-W592 VanDerWaalsContact O-CD1 3.27Å; T577-P593 WeakPolarHBondContact O-CD 3.31Å; T577-A594 HydrophobicContact CG2-CB 3.84Å; T577-E620 WeakPolarHBondContact CB-OE1 3.38Å; T577-E620 PolarHBondContact N-OE2 2.85Å; T577-E622 HydrophobicContact CG2-CB 3.72Å; T577-R623 PolarHBondContact N-O 3.11Å; T577-R623 WeakPolarHBondContact OG1-CB 3.17Å; T577-R623 PolarHBondContact OG1-O 3.4Å
578	K	98.8	Very high	98.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.017	10%	0.099	C	C	.	.	S	Bend	trans	-155	136.4	178.9	-169.6	-174.1	-178	-64.6	0	111.1	Y444 E478 Y591 W592 E620 L621 E622	Y444-K578 WeakPolarHBondContact OH-CD 3.43Å; E478-K578 IonicContact OE1-NZ 3.92Å; E478-K578 PolarHBondContact OE1-NZ 3.01Å; E478-K578 IonicContact OE2-NZ 3.95Å; E478-K578 PolarHBondContact OE2-NZ 2.9Å; K578-Y591 WeakPolarHBondContact CA-O 3.28Å; K578-W592 HydrophobicContact CB-CG 4.15Å; K578-W592 HydrophobicContact CD-CD2 3.66Å; K578-W592 VanDerWaalsContact CD-CE2 3.45Å; K578-W592 HydrophobicContact CD-CE3 4.16Å; K578-W592 HydrophobicContact CD-CG 4.03Å; K578-W592 HydrophobicContact CD-CH2 4.26Å; K578-W592 HydrophobicContact CD-CZ2 3.77Å; K578-W592 HydrophobicContact CD-CZ3 4.45Å; K578-W592 HydrophobicContact CG-CB 4.21Å; K578-W592 HydrophobicContact CG-CD2 3.9Å; K578-W592 HydrophobicContact CG-CG 3.7Å; K578-E620 PolarHBondContact N-OE1 2.83Å; K578-E620 VanDerWaalsContact N-OE1 3.08Å; K578-E620 PolarHBondContact N-OE2 2.82Å; K578-E620 VanDerWaalsContact O-CD 3.26Å; K578-E620 VanDerWaalsContact O-OE1 3.07Å; K578-L621 WeakPolarHBondContact O-CB 3.34Å; K578-L621 PolarHBondContact O-N 2.99Å; K578-E622 HydrophobicContact CB-CG 4.37Å; K578-E622 WeakPolarHBondContact CD-OE1 3.44Å
579	G	98.8	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-165.3	177.7	0	0	0	0	0	116	R590 Y591 L619	G579-R590 WeakPolarHBondContact O-CA 3.22Å; G579-Y591 VanDerWaalsContact C-CD1 3.46Å; G579-Y591 VanDerWaalsContact CA-CZ 3.43Å; G579-Y591 VanDerWaalsContact N-CZ 3.35Å; G579-Y591 PolarHBondContact N-O 3.18Å; G579-Y591 WeakPolarHBondContact O-CD1 3.22Å; G579-Y591 PolarHBondContact O-N 3.34Å; G579-L619 CarbonylContact C-O 3.57Å; G579-L619 WeakPolarHBondContact CA-O 3.24Å
580	Q	98.9	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.8	175.9	-161.8	79.9	21.9	0	0	109.1	A315 Y316 F415 W582 N587 G589 R590 L619	A315-Q580 PolarHBondContact O-NE2 2.83Å; Y316-Q580 VanDerWaalsContact CE1-CD 3.41Å; Y316-Q580 HydrophobicContact CE1-CG 4.21Å; Y316-Q580 VanDerWaalsContact CE1-OE1 3.27Å; F415-Q580 HydrophobicContact CE2-CB 4.5Å; F415-Q580 HydrophobicContact CZ-CB 4.48Å; Q580-W582 HydrophobicContact CB-CH2 3.57Å; Q580-W582 HydrophobicContact CB-CZ2 4.35Å; Q580-W582 HydrophobicContact CB-CZ3 3.69Å; Q580-W582 HydrophobicContact CG-CE3 4.39Å; Q580-W582 HydrophobicContact CG-CH2 3.44Å; Q580-W582 VanDerWaalsContact CG-CH2 3.44Å; Q580-W582 HydrophobicContact CG-CZ2 3.7Å; Q580-W582 HydrophobicContact CG-CZ3 3.82Å; Q580-N587 PolarHBondContact NE2-OD1 3.04Å; Q580-G589 VanDerWaalsContact NE2-CA 3.34Å; Q580-G589 PolarHBondContact NE2-O 2.79Å; Q580-R590 VanDerWaalsContact OE1-CG 3.31Å; Q580-L619 HydrophobicContact CB-CB 4.42Å; Q580-L619 PolarHBondContact N-O 2.79Å; Q580-L619 PolarHBondContact O-N 2.86Å
581	V	98.9	Very high	98.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.5	-179.3	62.5	0	0	0	0	113	I571 F573 L588 G589 Y591 L601 I616 T617 V618	I571-V581 HydrophobicContact CD1-CG2 4.2Å; F573-V581 HydrophobicContact CE1-CB 4.06Å; F573-V581 HydrophobicContact CE1-CG1 4.31Å; F573-V581 HydrophobicContact CE1-CG2 3.95Å; F573-V581 HydrophobicContact CE2-CG1 4.45Å; F573-V581 HydrophobicContact CZ-CB 3.9Å; F573-V581 HydrophobicContact CZ-CG1 3.65Å; F573-V581 HydrophobicContact CZ-CG2 3.9Å; V581-L588 HydrophobicContact CG1-CB 3.96Å; V581-L588 HydrophobicContact CG1-CD1 4.23Å; V581-L588 PolarHBondContact O-N 3.24Å; V581-G589 PolarHBondContact N-O 2.86Å; V581-Y591 HydrophobicContact CB-CD1 4.36Å; V581-Y591 HydrophobicContact CG1-CD1 4.43Å; V581-L601 HydrophobicContact CG1-CD2 3.65Å; V581-I616 HydrophobicContact CG2-CG2 4.17Å; V581-T617 WeakPolarHBondContact CA-O 3.35Å; V581-V618 HydrophobicContact CB-CG2 4.4Å; V581-V618 HydrophobicContact CG2-CG2 3.86Å
582	W	98.9	Very high	98.2	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.9	174.5	-58.5	-111	0	0	0	110.3	E517 V520 F551 Q580 F586 N587 I616 T617 L619	E517-W582 WeakPolarHBondContact OE1-CZ2 3.21Å; E517-W582 PolarHBondContact OE2-NE1 3.3Å; V520-W582 HydrophobicContact CB-CD2 4.36Å; V520-W582 HydrophobicContact CB-CG 4.43Å; V520-W582 HydrophobicContact CG1-CB 3.81Å; V520-W582 HydrophobicContact CG1-CD2 3.95Å; V520-W582 HydrophobicContact CG1-CE3 4.43Å; V520-W582 HydrophobicContact CG1-CG 3.67Å; V520-W582 HydrophobicContact CG2-CD2 4.02Å; V520-W582 HydrophobicContact CG2-CE3 4.09Å; V520-W582 HydrophobicContact CG2-CH2 4.28Å; V520-W582 HydrophobicContact CG2-CZ2 4.21Å; V520-W582 HydrophobicContact CG2-CZ3 4.22Å; F551-W582 HydrophobicContact CE1-CZ3 4.49Å; Q580-W582 HydrophobicContact CB-CH2 3.57Å; Q580-W582 HydrophobicContact CB-CZ2 4.35Å; Q580-W582 HydrophobicContact CB-CZ3 3.69Å; Q580-W582 HydrophobicContact CG-CE3 4.39Å; Q580-W582 HydrophobicContact CG-CH2 3.44Å; Q580-W582 VanDerWaalsContact CG-CH2 3.44Å; Q580-W582 HydrophobicContact CG-CZ2 3.7Å; Q580-W582 HydrophobicContact CG-CZ3 3.82Å; W582-F586 CarbonylContact C-O 3.59Å; W582-F586 WeakPolarHBondContact CA-O 3.25Å; W582-N587 VanDerWaalsContact CD1-CA 3.42Å; W582-N587 VanDerWaalsContact CD1-CB 3.41Å; W582-N587 HydrophobicContact CG-CB 4.26Å; W582-N587 VanDerWaalsContact NE1-CG 3.27Å; W582-N587 PolarHBondContact NE1-ND2 2.9Å; W582-N587 VanDerWaalsContact NE1-ND2 3.19Å; W582-I616 WeakPolarHBondContact O-CA 3.48Å; W582-T617 HydrophobicContact CE3-CG2 4.39Å; W582-T617 PolarHBondContact N-O 3Å; W582-T617 PolarHBondContact O-N 3.38Å; W582-L619 HydrophobicContact CH2-CB 4.14Å; W582-L619 HydrophobicContact CH2-CD2 4.4Å; W582-L619 HydrophobicContact CZ3-CB 3.76Å
583	I	98.8	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.7	165.3	-61.8	-179.3	0	0	0	107.9	I571 G585 F586 L588 V603 I607 L608 T615 I616 F638	I571-I583 HydrophobicContact CD1-CD1 4.45Å; I583-G585 PolarHBondContact O-N 2.76Å; I583-G585 VanDerWaalsContact O-N 3.15Å; I583-F586 PolarHBondContact N-O 2.9Å; I583-F586 WeakPolarHBondContact O-CB 3.07Å; I583-F586 PolarHBondContact O-N 3.14Å; I583-L588 HydrophobicContact CB-CD1 4.48Å; I583-L588 HydrophobicContact CD1-CD1 3.71Å; I583-L588 HydrophobicContact CG1-CD1 3.78Å; I583-V603 HydrophobicContact CD1-CG1 3.85Å; I583-V603 HydrophobicContact CD1-CG2 4.13Å; I583-I607 HydrophobicContact CB-CD1 4.05Å; I583-I607 HydrophobicContact CG2-CD1 4.43Å; I583-L608 HydrophobicContact CG2-CD2 3.78Å; I583-T615 CarbonylContact C-O 3.58Å; I583-T615 WeakPolarHBondContact CA-O 3.45Å; I583-I616 HydrophobicContact CG1-CG1 4.45Å; I583-I616 HydrophobicContact CG1-CG2 4.46Å; I583-F638 HydrophobicContact CD1-CE1 3.68Å; I583-F638 HydrophobicContact CD1-CZ 3.68Å
584	N	98.4	Very high	98.1	Very high	60 Å²	60	16.2 Å²	16.2	32%	0.321	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	35	-176.2	-59.8	-26.6	0	0	0	113.4	F586 I607 N614 T615	N584-F586 PolarHBondContact O-N 2.83Å; N584-I607 PolarHBondContact ND2-O 2.95Å; N584-N614 PolarHBondContact ND2-OD1 2.81Å; N584-N614 WeakPolarHBondContact OD1-CA 3.21Å; N584-T615 PolarHBondContact N-O 3.12Å; N584-T615 PolarHBondContact OD1-N 3.35Å
585	G	97.8	Very high	98.1	Very high	20 Å²	20	13.9 Å²	13.9	21%	0.206	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-5	-176.5	0	0	0	0	0	115.5	I583	I583-G585 PolarHBondContact O-N 2.76Å; I583-G585 VanDerWaalsContact O-N 3.15Å
586	F	98.8	Very high	98.2	Very high	52 Å²	52	11.8 Å²	11.8	23%	0.228	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.3	172.5	-176.6	-84	0	0	0	110.4	F314 W582 I583 N584 L588 I607	F314-F586 HydrophobicContact CB-CZ 4.47Å; F314-F586 AromaticContact CD1-CE1 3.65Å; F314-F586 HydrophobicContact CD1-CE1 3.65Å; F314-F586 HydrophobicContact CD1-CZ 4.07Å; F314-F586 HydrophobicContact CD2-CZ 4.24Å; F314-F586 AromaticContact CE1-CE1 3.9Å; F314-F586 HydrophobicContact CE1-CE1 3.9Å; F314-F586 HydrophobicContact CE1-CZ 4.35Å; F314-F586 HydrophobicContact CG-CE1 4.04Å; F314-F586 HydrophobicContact CG-CZ 4.01Å; F314-F586 HydrophobicContact CZ-CE1 4.49Å; W582-F586 CarbonylContact C-O 3.59Å; W582-F586 WeakPolarHBondContact CA-O 3.25Å; I583-F586 PolarHBondContact N-O 2.9Å; I583-F586 WeakPolarHBondContact O-CB 3.07Å; I583-F586 PolarHBondContact O-N 3.14Å; N584-F586 PolarHBondContact O-N 2.83Å; F586-L588 HydrophobicContact CD1-CD2 3.91Å; F586-L588 HydrophobicContact CD1-CG 4.46Å; F586-L588 HydrophobicContact CE1-CD2 4.07Å; F586-L588 PolarHBondContact O-N 3.07Å; F586-I607 HydrophobicContact CB-CB 4.4Å; F586-I607 HydrophobicContact CB-CD1 4.09Å; F586-I607 HydrophobicContact CB-CG2 4.15Å; F586-I607 HydrophobicContact CD1-CD1 3.84Å; F586-I607 HydrophobicContact CD1-CG2 4.24Å; F586-I607 HydrophobicContact CD2-CG2 4.02Å; F586-I607 HydrophobicContact CG-CD1 4.17Å; F586-I607 HydrophobicContact CG-CG2 3.87Å
587	N	98.9	Very high	98.2	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.053	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	103.9	-175.3	-166.3	-23	0	0	0	111.3	A315 E517 Q580 W582 G589	A315-N587 HydrophobicContact CB-CB 3.86Å; A315-N587 PolarHBondContact N-O 3.05Å; E517-N587 PolarHBondContact OE1-ND2 2.8Å; E517-N587 WeakPolarHBondContact OE2-CB 3.48Å; E517-N587 PolarHBondContact OE2-ND2 2.84Å; Q580-N587 PolarHBondContact NE2-OD1 3.04Å; W582-N587 VanDerWaalsContact CD1-CA 3.42Å; W582-N587 VanDerWaalsContact CD1-CB 3.41Å; W582-N587 HydrophobicContact CG-CB 4.26Å; W582-N587 VanDerWaalsContact NE1-CG 3.27Å; W582-N587 PolarHBondContact NE1-ND2 2.9Å; W582-N587 VanDerWaalsContact NE1-ND2 3.19Å; N587-G589 VanDerWaalsContact C-N 3.26Å; N587-G589 PolarHBondContact O-N 2.66Å; N587-G589 PolarHBondContact OD1-N 3.22Å
588	L	98.9	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-20.3	-176.6	-66.8	173	0	0	0	113.2	F314 T329 I571 V581 I583 F586 L601 V603 I607	F314-L588 HydrophobicContact CE1-CD2 4.36Å; T329-L588 WeakPolarHBondContact CG2-O 3.14Å; I571-L588 HydrophobicContact CG2-CD1 4.11Å; V581-L588 HydrophobicContact CG1-CB 3.96Å; V581-L588 HydrophobicContact CG1-CD1 4.23Å; V581-L588 PolarHBondContact O-N 3.24Å; I583-L588 HydrophobicContact CB-CD1 4.48Å; I583-L588 HydrophobicContact CD1-CD1 3.71Å; I583-L588 HydrophobicContact CG1-CD1 3.78Å; F586-L588 HydrophobicContact CD1-CD2 3.91Å; F586-L588 HydrophobicContact CD1-CG 4.46Å; F586-L588 HydrophobicContact CE1-CD2 4.07Å; F586-L588 PolarHBondContact O-N 3.07Å; L588-L601 HydrophobicContact CB-CD2 4.23Å; L588-V603 HydrophobicContact CD1-CG2 3.84Å; L588-V603 HydrophobicContact CD2-CG2 4.46Å; L588-I607 HydrophobicContact CD2-CD1 3.81Å
589	G	98.8	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-161.5	-178.5	0	0	0	0	0	113.9	A315 Q580 V581 N587	A315-G589 WeakPolarHBondContact O-CA 3.27Å; Q580-G589 VanDerWaalsContact NE2-CA 3.34Å; Q580-G589 PolarHBondContact NE2-O 2.79Å; V581-G589 PolarHBondContact N-O 2.86Å; N587-G589 VanDerWaalsContact C-N 3.26Å; N587-G589 PolarHBondContact O-N 2.66Å; N587-G589 PolarHBondContact OD1-N 3.22Å
590	R	98.9	Very high	98.2	Very high	7 Å²	7	12.2 Å²	12.2	3%	0.026	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.2	-174.2	-54.1	175.4	-159.8	-91.8	2.8	110.9	W277 N318 T329 E478 N479 M480 G579 Q580	W277-R590 HydrophobicContact CZ2-CB 4.34Å; N318-R590 PolarHBondContact ND2-NE 2.91Å; N318-R590 PolarHBondContact ND2-NH2 3.37Å; T329-R590 WeakPolarHBondContact CB-O 3.27Å; T329-R590 WeakPolarHBondContact OG1-CA 3.4Å; T329-R590 PolarHBondContact OG1-N 2.94Å; T329-R590 PolarHBondContact OG1-O 2.55Å; E478-R590 IonicContact OE1-CZ 3.7Å; E478-R590 IonicContact OE1-NH1 2.87Å; E478-R590 PolarHBondContact OE1-NH1 3.34Å; N479-R590 VanDerWaalsContact O-CZ 3.27Å; N479-R590 PolarHBondContact O-NH1 3.04Å; N479-R590 PolarHBondContact O-NH2 3Å; M480-R590 VanDerWaalsContact C-NH2 3.27Å; M480-R590 PolarHBondContact O-NE 3.35Å; M480-R590 PolarHBondContact O-NH2 2.86Å; M480-R590 VanDerWaalsContact O-NH2 3.14Å; G579-R590 WeakPolarHBondContact O-CA 3.22Å; Q580-R590 VanDerWaalsContact OE1-CG 3.31Å
591	Y	98.9	Very high	98.2	Very high	1 Å²	1	12.3 Å²	12.3	0%	0.004	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	140	166.4	71.1	-90.1	0	0	0	110.1	F573 W576 K578 G579 V581 P593 V618 E620	F573-Y591 HydrophobicContact CB-CD2 3.91Å; F573-Y591 HydrophobicContact CB-CE2 4.25Å; F573-Y591 HydrophobicContact CB-CG 4.47Å; F573-Y591 HydrophobicContact CD1-CD1 4.05Å; F573-Y591 HydrophobicContact CD1-CD2 4.07Å; F573-Y591 HydrophobicContact CD1-CE1 4.17Å; F573-Y591 HydrophobicContact CD1-CE2 4.24Å; F573-Y591 HydrophobicContact CD1-CG 4.02Å; F573-Y591 HydrophobicContact CD2-CD1 4.44Å; F573-Y591 HydrophobicContact CD2-CD2 4.08Å; F573-Y591 AromaticContact CD2-CG 3.8Å; F573-Y591 HydrophobicContact CD2-CG 3.8Å; F573-Y591 AromaticContact CE1-CD1 3.95Å; F573-Y591 HydrophobicContact CE1-CD1 3.95Å; F573-Y591 HydrophobicContact CE1-CE1 4.22Å; F573-Y591 HydrophobicContact CE1-CG 4.25Å; F573-Y591 HydrophobicContact CE2-CD1 4.35Å; F573-Y591 HydrophobicContact CE2-CG 4.05Å; F573-Y591 HydrophobicContact CG-CD1 4.33Å; F573-Y591 AromaticContact CG-CD2 3.74Å; F573-Y591 HydrophobicContact CG-CD2 3.74Å; F573-Y591 HydrophobicContact CG-CE2 4.24Å; F573-Y591 AromaticContact CG-CG 3.82Å; F573-Y591 HydrophobicContact CG-CG 3.82Å; F573-Y591 HydrophobicContact CZ-CD1 4.13Å; F573-Y591 HydrophobicContact CZ-CG 4.28Å; W576-Y591 HydrophobicContact CB-CE2 3.82Å; K578-Y591 WeakPolarHBondContact CA-O 3.28Å; G579-Y591 VanDerWaalsContact C-CD1 3.46Å; G579-Y591 VanDerWaalsContact CA-CZ 3.43Å; G579-Y591 VanDerWaalsContact N-CZ 3.35Å; G579-Y591 PolarHBondContact N-O 3.18Å; G579-Y591 WeakPolarHBondContact O-CD1 3.22Å; G579-Y591 PolarHBondContact O-N 3.34Å; V581-Y591 HydrophobicContact CB-CD1 4.36Å; V581-Y591 HydrophobicContact CG1-CD1 4.43Å; Y591-P593 HydrophobicContact CD2-CG 4.31Å; Y591-V618 HydrophobicContact CE1-CG1 3.78Å; Y591-V618 VanDerWaalsContact OH-CG1 3.31Å; Y591-V618 WeakPolarHBondContact OH-CG1 3.42Å; Y591-E620 WeakPolarHBondContact CE2-OE2 3.16Å; Y591-E620 WeakPolarHBondContact OH-CA 3.36Å; Y591-E620 WeakPolarHBondContact OH-CB 3.4Å; Y591-E620 PolarHBondContact OH-OE2 3.34Å
592	W	98.6	Very high	98.2	Very high	6 Å²	6	12.5 Å²	12.5	2%	0.023	7%	0.072	C	C	.	.			trans	-147.9	61.8	176.1	-156.9	-3.9	0	0	0	112.2	W277 M480 T577 K578 A594 R595 G596	W277-W592 HydrophobicContact CB-CE3 3.72Å; W277-W592 HydrophobicContact CB-CZ3 3.96Å; W277-W592 HydrophobicContact CD2-CB 4.11Å; W277-W592 HydrophobicContact CD2-CE3 4.07Å; W277-W592 HydrophobicContact CE3-CB 3.67Å; W277-W592 AromaticContact CG-CE3 3.72Å; W277-W592 HydrophobicContact CG-CE3 3.72Å; W277-W592 HydrophobicContact CG-CZ3 4.25Å; W277-W592 HydrophobicContact CH2-CB 4.23Å; W277-W592 HydrophobicContact CZ3-CB 3.74Å; M480-W592 HydrophobicContact CE-CE3 4.46Å; M480-W592 HydrophobicContact CE-CH2 3.93Å; M480-W592 HydrophobicContact CE-CZ3 3.47Å; M480-W592 VanDerWaalsContact CE-CZ3 3.47Å; T577-W592 VanDerWaalsContact O-CD1 3.27Å; K578-W592 HydrophobicContact CB-CG 4.15Å; K578-W592 HydrophobicContact CD-CD2 3.66Å; K578-W592 VanDerWaalsContact CD-CE2 3.45Å; K578-W592 HydrophobicContact CD-CE3 4.16Å; K578-W592 HydrophobicContact CD-CG 4.03Å; K578-W592 HydrophobicContact CD-CH2 4.26Å; K578-W592 HydrophobicContact CD-CZ2 3.77Å; K578-W592 HydrophobicContact CD-CZ3 4.45Å; K578-W592 HydrophobicContact CG-CB 4.21Å; K578-W592 HydrophobicContact CG-CD2 3.9Å; K578-W592 HydrophobicContact CG-CG 3.7Å; W592-A594 PolarHBondContact O-N 2.95Å; W592-A594 VanDerWaalsContact O-N 3.13Å; W592-R595 HydrophobicContact CD2-CB 3.89Å; W592-R595 HydrophobicContact CD2-CG 3.65Å; W592-R595 HydrophobicContact CE3-CB 4.39Å; W592-R595 HydrophobicContact CE3-CG 4.23Å; W592-R595 HydrophobicContact CG-CB 3.91Å; W592-R595 HydrophobicContact CG-CG 4.03Å; W592-R595 HydrophobicContact CH2-CG 4.29Å; W592-R595 VanDerWaalsContact CH2-NH1 3.35Å; W592-R595 HydrophobicContact CZ2-CG 3.72Å; W592-R595 PolarHBondContact O-N 3.41Å; W592-G596 PolarHBondContact O-N 2.91Å
593	P	97.4	Very high	98.3	Very high	16 Å²	16	12.5 Å²	12.5	10%	0.104	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	-178	27.9	-37.7	0	0	0	112.9	F573 T577 Y591 R595 L599 Q648	F573-P593 HydrophobicContact CB-CG 4.34Å; T577-P593 WeakPolarHBondContact O-CD 3.31Å; Y591-P593 HydrophobicContact CD2-CG 4.31Å; P593-R595 PolarHBondContact O-N 2.95Å; P593-L599 HydrophobicContact CB-CD2 3.9Å; P593-Q648 PolarHBondContact O-OE1 2.94Å
594	A	95.9	Very high	98.3	Very high	31 Å²	31	12.5 Å²	12.5	26%	0.256	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.1	173.2	0	0	0	0	0	114	T577 W592 Y650	T577-A594 HydrophobicContact CG2-CB 3.84Å; W592-A594 PolarHBondContact O-N 2.95Å; W592-A594 VanDerWaalsContact O-N 3.13Å; A594-Y650 VanDerWaalsContact O-CD2 3.27Å; A594-Y650 WeakPolarHBondContact O-CD2 3.18Å; A594-Y650 WeakPolarHBondContact O-CE2 3.42Å
595	R	96.1	Very high	98.3	Very high	17 Å²	17	11.7 Å²	11.7	6%	0.064	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-36.7	177.4	-76.1	-81.1	-75	-88.3	-9.1	113.3	W277 G278 E456 R459 W592 P593 Y650	W277-R595 PolarHBondContact O-NH2 2.92Å; G278-R595 WeakPolarHBondContact CA-O 3.43Å; E456-R595 IonicContact OE1-NH1 3.67Å; E456-R595 PolarHBondContact OE1-NH1 3.11Å; E456-R595 VanDerWaalsContact OE1-NH1 3.14Å; R459-R595 VanDerWaalsContact NH1-NH1 3.19Å; W592-R595 HydrophobicContact CD2-CB 3.89Å; W592-R595 HydrophobicContact CD2-CG 3.65Å; W592-R595 HydrophobicContact CE3-CB 4.39Å; W592-R595 HydrophobicContact CE3-CG 4.23Å; W592-R595 HydrophobicContact CG-CB 3.91Å; W592-R595 HydrophobicContact CG-CG 4.03Å; W592-R595 HydrophobicContact CH2-CG 4.29Å; W592-R595 VanDerWaalsContact CH2-NH1 3.35Å; W592-R595 HydrophobicContact CZ2-CG 3.72Å; W592-R595 PolarHBondContact O-N 3.41Å; P593-R595 PolarHBondContact O-N 2.95Å; R595-Y650 VanDerWaalsContact CD-CE2 3.46Å; R595-Y650 HydrophobicContact CG-CD2 4.43Å; R595-Y650 HydrophobicContact CG-CE2 4.07Å
596	G	96.6	Very high	98.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.01	7%	0.07	C	C	.	.			trans	63.8	-169.6	-170.4	0	0	0	0	0	113.1	W277 G278 W592 Q598	W277-G596 CarbonylContact C-O 3.6Å; G278-G596 PolarHBondContact N-O 3Å; W592-G596 PolarHBondContact O-N 2.91Å; G596-Q598 VanDerWaalsContact C-N 3.31Å
597	P	97.8	Very high	98.3	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.013	6%	0.064	C	C	.	.	S	Bend	cis	-76.7	-20.5	4.2	33.6	-34.4	0	0	0	112.2	Q279 H281 I644 S646	Q279-P597 WeakPolarHBondContact O-CB 3.38Å; Q279-P597 WeakPolarHBondContact O-CD 3.37Å; Q279-P597 VanDerWaalsContact O-CG 3.24Å; Q279-P597 WeakPolarHBondContact O-CG 3.46Å; H281-P597 HydrophobicContact CB-CB 4.06Å; H281-P597 HydrophobicContact CB-CG 4.15Å; P597-I644 CarbonylContact C-O 3.6Å; P597-I644 VanDerWaalsContact CB-O 3.32Å; P597-I644 WeakPolarHBondContact CB-O 3.37Å; P597-I644 CarbonylContact O-C 3.52Å; P597-I644 VanDerWaalsContact O-O 3.12Å; P597-S646 WeakPolarHBondContact O-CB 3.28Å; P597-S646 PolarHBondContact O-N 2.65Å
598	Q	98.6	Very high	98.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	6%	0.064	C	C	.	.			trans	-71.7	123.4	175	-179.1	177.5	20.3	0	0	112.3	W277 T329 G596 T600 I644	W277-Q598 HydrophobicContact CH2-CB 4.04Å; W277-Q598 HydrophobicContact CH2-CG 4.31Å; W277-Q598 HydrophobicContact CZ3-CB 3.89Å; T329-Q598 VanDerWaalsContact N-OE1 3.17Å; G596-Q598 VanDerWaalsContact C-N 3.31Å; Q598-T600 WeakPolarHBondContact CG-O 3.08Å; Q598-T600 PolarHBondContact NE2-O 3.08Å; Q598-I644 HydrophobicContact CG-CG2 4.41Å; Q598-I644 PolarHBondContact N-O 3.19Å
599	L	98.5	Very high	98.2	Very high	31 Å²	31	14.7 Å²	14.7	16%	0.162	8%	0.079	C	C	.	.			trans	-111	-28.3	172.3	-54.5	-171.7	0	0	0	112.8	P593 V643 S646	P593-L599 HydrophobicContact CB-CD2 3.9Å; L599-V643 HydrophobicContact CB-CB 4.34Å; L599-V643 HydrophobicContact CB-CG1 4.27Å; L599-V643 HydrophobicContact CD1-CG1 3.96Å; L599-V643 HydrophobicContact CG-CG1 4.2Å; L599-V643 PolarHBondContact N-O 2.98Å; L599-S646 WeakPolarHBondContact CD1-OG 3.1Å
600	T	98.8	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	144.4	179.6	56	0	0	0	0	112.5	F570 I571 Q572 Q598 V639 P642 V643	F570-T600 HydrophobicContact CB-CG2 4.28Å; I571-T600 CarbonylContact O-C 3.07Å; I571-T600 VanDerWaalsContact O-CA 3.28Å; I571-T600 WeakPolarHBondContact O-CA 3.49Å; Q572-T600 HydrophobicContact CB-CG2 4.12Å; Q598-T600 WeakPolarHBondContact CG-O 3.08Å; Q598-T600 PolarHBondContact NE2-O 3.08Å; T600-V639 HydrophobicContact CG2-CG2 4.09Å; T600-P642 WeakPolarHBondContact OG1-CA 3.18Å; T600-V643 HydrophobicContact CG2-CB 4.03Å; T600-V643 HydrophobicContact CG2-CG2 4.22Å; T600-V643 PolarHBondContact N-O 3.22Å; T600-V643 PolarHBondContact OG1-N 2.9Å; T600-V643 PolarHBondContact OG1-O 2.88Å
601	L	98.9	Very high	97.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.9	167.7	-84.1	63	0	0	0	110.6	T329 F570 I571 F573 V581 L588	T329-L601 HydrophobicContact CG2-CD2 4.03Å; T329-L601 HydrophobicContact CG2-CG 4.02Å; F570-L601 CarbonylContact C-O 3.6Å; F570-L601 VanDerWaalsContact CA-O 3.29Å; F570-L601 WeakPolarHBondContact CA-O 3.35Å; I571-L601 HydrophobicContact CG2-CB 3.88Å; I571-L601 PolarHBondContact N-O 2.85Å; I571-L601 PolarHBondContact O-N 2.8Å; F573-L601 HydrophobicContact CE2-CD1 4.26Å; V581-L601 HydrophobicContact CG1-CD2 3.65Å; L588-L601 HydrophobicContact CB-CD2 4.23Å
602	F	98.9	Very high	97.8	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134	175	171.8	-126.3	0	0	0	111.6	Y64 F314 E339 A340 D568 F570 P604	Y64-F602 HydrophobicContact CE2-CZ 4.26Å; F314-F602 HydrophobicContact CZ-CD1 4.25Å; E339-F602 HydrophobicContact CG-CB 3.96Å; E339-F602 HydrophobicContact CG-CD1 4.35Å; E339-F602 HydrophobicContact CG-CG 4.32Å; A340-F602 HydrophobicContact CB-CD2 3.92Å; A340-F602 HydrophobicContact CB-CE2 3.74Å; A340-F602 HydrophobicContact CB-CZ 4.24Å; D568-F602 HydrophobicContact CB-CE2 3.98Å; F570-F602 HydrophobicContact CD1-CB 4.18Å; F570-F602 HydrophobicContact CD1-CD2 4.37Å; F570-F602 HydrophobicContact CE1-CB 3.97Å; F570-F602 AromaticContact CE1-CD2 3.84Å; F570-F602 HydrophobicContact CE1-CD2 3.84Å; F570-F602 HydrophobicContact CE1-CG 4.32Å; F570-F602 HydrophobicContact CZ-CD2 4.25Å; F602-P604 HydrophobicContact CE1-CB 3.79Å; F602-P604 HydrophobicContact CE1-CG 4.37Å; F602-P604 HydrophobicContact CZ-CB 3.72Å
603	V	98.9	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	104.7	178.9	-177.4	0	0	0	0	108.7	T569 I571 I583 L588 I607 L608 F638	T569-V603 HydrophobicContact CG2-CB 3.56Å; T569-V603 HydrophobicContact CG2-CG1 3.79Å; T569-V603 HydrophobicContact CG2-CG2 4.15Å; T569-V603 PolarHBondContact N-O 2.82Å; T569-V603 WeakPolarHBondContact O-CB 3.19Å; T569-V603 PolarHBondContact O-N 3.03Å; I571-V603 HydrophobicContact CB-CG2 3.99Å; I571-V603 HydrophobicContact CG2-CG2 3.68Å; I583-V603 HydrophobicContact CD1-CG1 3.85Å; I583-V603 HydrophobicContact CD1-CG2 4.13Å; L588-V603 HydrophobicContact CD1-CG2 3.84Å; L588-V603 HydrophobicContact CD2-CG2 4.46Å; V603-I607 HydrophobicContact CG1-CD1 4.24Å; V603-I607 HydrophobicContact CG1-CG1 4.48Å; V603-L608 HydrophobicContact CG1-CD1 4.36Å; V603-L608 HydrophobicContact CG1-CD2 4.15Å; V603-L608 HydrophobicContact CG1-CG 4.38Å; V603-F638 HydrophobicContact CG2-CE1 4.21Å
604	P	98.8	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.			trans	-78.4	126.7	-176.2	29.8	-34.2	0	0	0	111.6	P61 Y64 F314 D568 F602 H606 I607	P61-P604 HydrophobicContact CG-CB 4.07Å; P61-P604 HydrophobicContact CG-CG 3.97Å; Y64-P604 HydrophobicContact CD2-CB 4.39Å; Y64-P604 HydrophobicContact CE2-CB 3.83Å; F314-P604 HydrophobicContact CZ-CG 4.31Å; D568-P604 VanDerWaalsContact OD1-CA 3.32Å; D568-P604 WeakPolarHBondContact OD1-CA 3.5Å; F602-P604 HydrophobicContact CE1-CB 3.79Å; F602-P604 HydrophobicContact CE1-CG 4.37Å; F602-P604 HydrophobicContact CZ-CB 3.72Å; P604-H606 PolarHBondContact O-N 3.47Å; P604-H606 PolarHBondContact O-ND1 2.82Å; P604-I607 HydrophobicContact CG-CG2 4.35Å; P604-I607 WeakPolarHBondContact O-CG1 3.12Å; P604-I607 PolarHBondContact O-N 3.21Å; P604-I607 VanDerWaalsContact O-N 3.1Å
605	Q	98.6	Very high	97.9	Very high	43 Å²	43	26 Å²	26	20%	0.201	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-49.7	-31.1	-168.4	85.7	-170.4	6.6	0	0	115.5	F63 Y64 P566 Q567 D568 I607 L608	F63-Q605 HydrophobicContact CE1-CG 4.05Å; F63-Q605 HydrophobicContact CZ-CG 4.42Å; Y64-Q605 WeakPolarHBondContact OH-CG 3.47Å; P566-Q605 HydrophobicContact CB-CB 4.47Å; P566-Q605 HydrophobicContact CG-CB 4.41Å; P566-Q605 WeakPolarHBondContact CG-O 3.49Å; P566-Q605 PolarHBondContact O-OE1 3.33Å; Q567-Q605 WeakPolarHBondContact O-CB 3.43Å; D568-Q605 PolarHBondContact OD1-N 3.02Å; Q605-I607 PolarHBondContact O-N 3.5Å; Q605-L608 WeakPolarHBondContact O-CB 3.43Å; Q605-L608 PolarHBondContact O-N 2.95Å
606	H	98.2	Very high	98	Very high	64 Å²	64	25.1 Å²	25.1	30%	0.296	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-66.8	-16.6	-176.1	80.1	-53.4	0	0	0	115.1	P61 F63 P604 L608	P61-H606 WeakPolarHBondContact CB-CE1 3.38Å; F63-H606 HydrophobicContact CB-CB 4.01Å; F63-H606 HydrophobicContact CD1-CB 3.83Å; F63-H606 HydrophobicContact CD2-CB 3.77Å; F63-H606 HydrophobicContact CE1-CB 4.24Å; F63-H606 HydrophobicContact CE2-CB 4.19Å; F63-H606 HydrophobicContact CG-CB 3.58Å; F63-H606 AromaticContact CG-CG 3.92Å; F63-H606 HydrophobicContact CZ-CB 4.42Å; P604-H606 PolarHBondContact O-N 3.47Å; P604-H606 PolarHBondContact O-ND1 2.82Å; H606-L608 VanDerWaalsContact C-N 3.34Å
607	I	98.6	Very high	98.1	Very high	19 Å²	19	25.5 Å²	25.5	10%	0.097	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-85.1	-12	171.8	75.7	176.5	0	0	0	112.2	I583 N584 F586 L588 V603 P604 Q605	I583-I607 HydrophobicContact CB-CD1 4.05Å; I583-I607 HydrophobicContact CG2-CD1 4.43Å; N584-I607 PolarHBondContact ND2-O 2.95Å; F586-I607 HydrophobicContact CB-CB 4.4Å; F586-I607 HydrophobicContact CB-CD1 4.09Å; F586-I607 HydrophobicContact CB-CG2 4.15Å; F586-I607 HydrophobicContact CD1-CD1 3.84Å; F586-I607 HydrophobicContact CD1-CG2 4.24Å; F586-I607 HydrophobicContact CD2-CG2 4.02Å; F586-I607 HydrophobicContact CG-CD1 4.17Å; F586-I607 HydrophobicContact CG-CG2 3.87Å; L588-I607 HydrophobicContact CD2-CD1 3.81Å; V603-I607 HydrophobicContact CG1-CD1 4.24Å; V603-I607 HydrophobicContact CG1-CG1 4.48Å; P604-I607 HydrophobicContact CG-CG2 4.35Å; P604-I607 WeakPolarHBondContact O-CG1 3.12Å; P604-I607 PolarHBondContact O-N 3.21Å; P604-I607 VanDerWaalsContact O-N 3.1Å; Q605-I607 PolarHBondContact O-N 3.5Å
608	L	98.6	Very high	98.2	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.047	16%	0.156	C	C	.	.			trans	-89.7	143.9	179.5	-56	-179.8	0	0	0	110.3	Y374 F556 I558 P566 T569 I583 V603 Q605 H606 N614	Y374-L608 HydrophobicContact CE2-CD1 3.9Å; F556-L608 HydrophobicContact CZ-CD2 4Å; I558-L608 HydrophobicContact CD1-CB 3.8Å; I558-L608 HydrophobicContact CD1-CD1 4.03Å; I558-L608 HydrophobicContact CD1-CG 4.4Å; P566-L608 HydrophobicContact CB-CB 3.72Å; P566-L608 HydrophobicContact CB-CD1 4.2Å; P566-L608 HydrophobicContact CG-CB 4.1Å; T569-L608 HydrophobicContact CG2-CD1 4.35Å; I583-L608 HydrophobicContact CG2-CD2 3.78Å; V603-L608 HydrophobicContact CG1-CD1 4.36Å; V603-L608 HydrophobicContact CG1-CD2 4.15Å; V603-L608 HydrophobicContact CG1-CG 4.38Å; Q605-L608 WeakPolarHBondContact O-CB 3.43Å; Q605-L608 PolarHBondContact O-N 2.95Å; H606-L608 VanDerWaalsContact C-N 3.34Å; L608-N614 WeakPolarHBondContact CA-OD1 3.27Å
609	V	97.7	Very high	98.2	Very high	53 Å²	53	25.4 Å²	25.4	32%	0.321	16%	0.156	S	C	.	.			trans	-124.8	152.2	-177.9	-64	0	0	0	0	111.8	A612 N614	V609-A612 HydrophobicContact CG2-CB 4.45Å; V609-N614 WeakPolarHBondContact CG2-OD1 3.47Å; V609-N614 PolarHBondContact N-OD1 3.27Å; V609-N614 PolarHBondContact O-ND2 3.26Å
610	T	97.4	Very high	98.2	Very high	46 Å²	46	24 Å²	24	28%	0.282	15%	0.148	S	C	.	.	S	Bend	trans	-110.3	-10.4	176.9	57.1	0	0	0	0	113.4	I558	I558-T610 HydrophobicContact CB-CG2 4.02Å; I558-T610 HydrophobicContact CG2-CG2 3.78Å; I558-T610 WeakPolarHBondContact O-CA 3.26Å; I558-T610 WeakPolarHBondContact O-CB 3.27Å
611	S	94.6	Very high	98.2	Very high	112 Å²	112	24 Å²	24	78%	0.783	15%	0.149	S	C	*	.	S	Bend	trans	-86.5	-16.6	-179.2	49.9	0	0	0	0	114
612	A	95.9	Very high	98.1	Very high	48 Å²	48	24.6 Å²	24.6	40%	0.397	15%	0.151	S	C	.	.	S	Bend	trans	-147.4	163	-178.9	0	0	0	0	0	110.1	V609	V609-A612 HydrophobicContact CG2-CB 4.45Å
613	P	97.1	Very high	97.9	Very high	73 Å²	73	30.3 Å²	30.3	47%	0.474	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-60.6	137.5	168.1	-19.6	32.7	0	0	0	110.9	N555	N555-P613 HydrophobicContact CB-CB 4.13Å
614	N	98.4	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.4	173.3	-62.5	-90.7	0	0	0	108.7	N555 F556 N584 L608 V609	N555-N614 VanDerWaalsContact CA-O 3.27Å; N555-N614 WeakPolarHBondContact CA-O 3.24Å; F556-N614 HydrophobicContact CD1-CB 3.81Å; F556-N614 HydrophobicContact CE1-CB 3.5Å; F556-N614 VanDerWaalsContact CE1-CB 3.5Å; F556-N614 HydrophobicContact CE2-CB 4.39Å; F556-N614 HydrophobicContact CG-CB 4.39Å; F556-N614 HydrophobicContact CZ-CB 3.82Å; F556-N614 PolarHBondContact N-O 3.02Å; F556-N614 WeakPolarHBondContact O-CB 3.32Å; F556-N614 PolarHBondContact O-N 2.77Å; F556-N614 PolarHBondContact O-ND2 3.23Å; N584-N614 PolarHBondContact ND2-OD1 2.81Å; N584-N614 WeakPolarHBondContact OD1-CA 3.21Å; L608-N614 WeakPolarHBondContact CA-OD1 3.27Å; V609-N614 WeakPolarHBondContact CG2-OD1 3.47Å; V609-N614 PolarHBondContact N-OD1 3.27Å; V609-N614 PolarHBondContact O-ND2 3.26Å
615	T	98.4	Very high	97.5	Very high	19 Å²	19	31.7 Å²	31.7	12%	0.117	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125.9	176.4	-58.3	0	0	0	0	110.5	H523 V553 N555 I583 N584	H523-T615 PolarHBondContact NE2-OG1 3.23Å; H523-T615 VanDerWaalsContact NE2-OG1 3.17Å; V553-T615 HydrophobicContact CG1-CG2 3.63Å; N555-T615 VanDerWaalsContact OD1-CA 3.29Å; N555-T615 WeakPolarHBondContact OD1-CA 3.33Å; N555-T615 WeakPolarHBondContact OD1-CB 3.29Å; N555-T615 PolarHBondContact OD1-OG1 2.86Å; I583-T615 CarbonylContact C-O 3.58Å; I583-T615 WeakPolarHBondContact CA-O 3.45Å; N584-T615 PolarHBondContact N-O 3.12Å; N584-T615 PolarHBondContact OD1-N 3.35Å
616	I	98.8	Very high	97	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.2	165.6	-47.5	172.1	0	0	0	107.4	I377 L379 V553 G554 F556 I571 V581 W582 I583 V618 V636 F638	I377-I616 HydrophobicContact CB-CD1 3.92Å; I377-I616 HydrophobicContact CG1-CD1 4.15Å; I377-I616 HydrophobicContact CG2-CD1 3.81Å; L379-I616 HydrophobicContact CD2-CB 4.19Å; L379-I616 HydrophobicContact CD2-CD1 4.36Å; L379-I616 HydrophobicContact CD2-CG2 4.4Å; V553-I616 WeakPolarHBondContact CA-O 3.39Å; G554-I616 PolarHBondContact N-O 2.93Å; G554-I616 VanDerWaalsContact N-O 3.12Å; G554-I616 PolarHBondContact O-N 2.96Å; F556-I616 HydrophobicContact CD1-CD1 3.94Å; F556-I616 HydrophobicContact CD1-CG1 4Å; F556-I616 HydrophobicContact CE1-CD1 4.05Å; F556-I616 HydrophobicContact CE1-CG1 3.92Å; I571-I616 HydrophobicContact CD1-CG2 4.17Å; V581-I616 HydrophobicContact CG2-CG2 4.17Å; W582-I616 WeakPolarHBondContact O-CA 3.48Å; I583-I616 HydrophobicContact CG1-CG1 4.45Å; I583-I616 HydrophobicContact CG1-CG2 4.46Å; I616-V618 HydrophobicContact CG2-CG2 4.22Å; I616-V636 HydrophobicContact CD1-CG2 3.66Å; I616-V636 HydrophobicContact CG2-CG2 4.4Å; I616-F638 HydrophobicContact CD1-CE2 3.57Å; I616-F638 HydrophobicContact CD1-CZ 3.72Å; I616-F638 HydrophobicContact CG1-CE2 4.49Å; I616-F638 HydrophobicContact CG1-CZ 4.25Å
617	T	98.8	Very high	96	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128	168.7	-60.3	0	0	0	0	109.3	V520 F551 Y552 V553 V581 W582	V520-T617 HydrophobicContact CG1-CG2 4.08Å; V520-T617 HydrophobicContact CG2-CG2 4.02Å; F551-T617 HydrophobicContact CD1-CG2 3.95Å; Y552-T617 CarbonylContact O-C 3.6Å; Y552-T617 WeakPolarHBondContact O-CA 3.32Å; V553-T617 HydrophobicContact CG2-CG2 4.1Å; V581-T617 WeakPolarHBondContact CA-O 3.35Å; W582-T617 HydrophobicContact CE3-CG2 4.39Å; W582-T617 PolarHBondContact N-O 3Å; W582-T617 PolarHBondContact O-N 3.38Å
618	V	98.9	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.8	179.6	171.7	0	0	0	0	108.5	L379 F551 Y552 F573 W576 V581 Y591 I616 E620 V636	L379-V618 HydrophobicContact CD1-CB 3.95Å; L379-V618 HydrophobicContact CD1-CG2 3.57Å; F551-V618 CarbonylContact C-O 3.4Å; F551-V618 WeakPolarHBondContact CA-O 3.3Å; Y552-V618 PolarHBondContact N-O 2.73Å; Y552-V618 PolarHBondContact O-N 3.01Å; F573-V618 HydrophobicContact CE1-CG2 3.99Å; W576-V618 HydrophobicContact CD2-CG1 4.48Å; W576-V618 HydrophobicContact CE3-CG1 3.77Å; W576-V618 HydrophobicContact CH2-CB 4.47Å; W576-V618 HydrophobicContact CH2-CG1 4.09Å; W576-V618 HydrophobicContact CZ3-CB 4.35Å; W576-V618 HydrophobicContact CZ3-CG1 3.54Å; V581-V618 HydrophobicContact CB-CG2 4.4Å; V581-V618 HydrophobicContact CG2-CG2 3.86Å; Y591-V618 HydrophobicContact CE1-CG1 3.78Å; Y591-V618 VanDerWaalsContact OH-CG1 3.31Å; Y591-V618 WeakPolarHBondContact OH-CG1 3.42Å; I616-V618 HydrophobicContact CG2-CG2 4.22Å; V618-E620 HydrophobicContact CG1-CB 4.47Å; V618-V636 HydrophobicContact CG2-CG1 4.19Å
619	L	98.9	Very high	92.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	99.7	166.4	173.7	57.8	0	0	0	108.1	V385 F415 A550 F551 G579 Q580 W582 L621	V385-L619 HydrophobicContact CG2-CD1 3.71Å; F415-L619 HydrophobicContact CD2-CD2 4.04Å; F415-L619 HydrophobicContact CE2-CD2 3.68Å; F415-L619 HydrophobicContact CZ-CD2 4.11Å; A550-L619 WeakPolarHBondContact O-CA 3.2Å; F551-L619 HydrophobicContact CD1-CB 4.02Å; F551-L619 HydrophobicContact CD1-CD1 4.29Å; F551-L619 HydrophobicContact CD2-CD1 4.25Å; F551-L619 HydrophobicContact CE1-CB 3.92Å; F551-L619 HydrophobicContact CE1-CD1 4.15Å; F551-L619 HydrophobicContact CE1-CD2 4.08Å; F551-L619 HydrophobicContact CE1-CG 4.26Å; F551-L619 HydrophobicContact CE2-CD1 4.09Å; F551-L619 HydrophobicContact CG-CD1 4.35Å; F551-L619 HydrophobicContact CZ-CD1 4.04Å; F551-L619 HydrophobicContact CZ-CD2 4.03Å; F551-L619 HydrophobicContact CZ-CG 4.44Å; G579-L619 CarbonylContact C-O 3.57Å; G579-L619 WeakPolarHBondContact CA-O 3.24Å; Q580-L619 HydrophobicContact CB-CB 4.42Å; Q580-L619 PolarHBondContact N-O 2.79Å; Q580-L619 PolarHBondContact O-N 2.86Å; W582-L619 HydrophobicContact CH2-CB 4.14Å; W582-L619 HydrophobicContact CH2-CD2 4.4Å; W582-L619 HydrophobicContact CZ3-CB 3.76Å; L619-L621 HydrophobicContact CD1-CD2 4.22Å; L619-L621 HydrophobicContact CD2-CD2 4.16Å; L619-L621 HydrophobicContact CG-CD2 3.84Å
620	E	98.8	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.2	174	174.4	57.7	-128.5	0	0	110	P549 A550 Y552 W576 T577 K578 Y591 V618 E622 R623 A624	P549-E620 VanDerWaalsContact CA-O 3.28Å; P549-E620 WeakPolarHBondContact CA-O 3.36Å; A550-E620 PolarHBondContact N-O 3.32Å; A550-E620 PolarHBondContact O-N 2.84Å; Y552-E620 HydrophobicContact CD2-CB 4.37Å; Y552-E620 HydrophobicContact CE2-CB 4.18Å; W576-E620 HydrophobicContact CE3-CB 3.72Å; W576-E620 HydrophobicContact CE3-CG 3.92Å; W576-E620 HydrophobicContact CZ3-CB 3.74Å; W576-E620 HydrophobicContact CZ3-CG 4.28Å; T577-E620 WeakPolarHBondContact CB-OE1 3.38Å; T577-E620 PolarHBondContact N-OE2 2.85Å; K578-E620 PolarHBondContact N-OE1 2.83Å; K578-E620 VanDerWaalsContact N-OE1 3.08Å; K578-E620 PolarHBondContact N-OE2 2.82Å; K578-E620 VanDerWaalsContact O-CD 3.26Å; K578-E620 VanDerWaalsContact O-OE1 3.07Å; Y591-E620 WeakPolarHBondContact CE2-OE2 3.16Å; Y591-E620 WeakPolarHBondContact OH-CA 3.36Å; Y591-E620 WeakPolarHBondContact OH-CB 3.4Å; Y591-E620 PolarHBondContact OH-OE2 3.34Å; V618-E620 HydrophobicContact CG1-CB 4.47Å; E620-E622 PolarHBondContact OE1-N 2.83Å; E620-R623 PolarHBondContact OE1-N 3.28Å; E620-A624 HydrophobicContact CB-CB 4.36Å; E620-A624 HydrophobicContact CG-CB 3.87Å
621	L	98.6	Very high	89.4	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	27%	0.267	C	S	.	.	S	Bend	trans	-115.7	-21.8	-166.1	-57.2	167	0	0	0	113.3	F415 Y444 L476 P549 K578 L619	F415-L621 HydrophobicContact CD1-CD2 4.37Å; F415-L621 HydrophobicContact CE1-CD1 3.62Å; F415-L621 HydrophobicContact CE1-CD2 3.82Å; F415-L621 HydrophobicContact CE1-CG 4.39Å; F415-L621 HydrophobicContact CZ-CD1 3.93Å; F415-L621 HydrophobicContact CZ-CD2 4.2Å; Y444-L621 HydrophobicContact CD1-CB 4.08Å; Y444-L621 WeakPolarHBondContact CD1-O 3.33Å; Y444-L621 HydrophobicContact CD2-CB 4.19Å; Y444-L621 HydrophobicContact CD2-CD2 4.38Å; Y444-L621 HydrophobicContact CE1-CB 3.67Å; Y444-L621 HydrophobicContact CE2-CB 3.78Å; Y444-L621 HydrophobicContact CE2-CD1 3.84Å; Y444-L621 HydrophobicContact CE2-CD2 4.1Å; Y444-L621 HydrophobicContact CE2-CG 4.12Å; Y444-L621 HydrophobicContact CG-CB 4.33Å; Y444-L621 VanDerWaalsContact CZ-CB 3.48Å; Y444-L621 WeakPolarHBondContact OH-CD1 3.4Å; L476-L621 HydrophobicContact CD2-CD2 4.02Å; P549-L621 HydrophobicContact CB-CD2 4.37Å; K578-L621 WeakPolarHBondContact O-CB 3.34Å; K578-L621 PolarHBondContact O-N 2.99Å; L619-L621 HydrophobicContact CD1-CD2 4.22Å; L619-L621 HydrophobicContact CD2-CD2 4.16Å; L619-L621 HydrophobicContact CG-CD2 3.84Å
622	E	96.7	Very high	88.4	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.061	26%	0.263	C	S	.	.	S	Bend	trans	-121.2	-58.1	-173.9	-66.4	-176.8	-149.7	0	0	112.4	R442 Y444 V454 Y546 T547 T577 K578 E620	R442-E622 IonicContact CZ-OE1 3.17Å; R442-E622 IonicContact NE-OE1 2.75Å; R442-E622 PolarHBondContact NE-OE1 2.89Å; R442-E622 VanDerWaalsContact NH2-CD 3.34Å; R442-E622 IonicContact NH2-OE1 2.79Å; R442-E622 PolarHBondContact NH2-OE1 3.06Å; R442-E622 IonicContact NH2-OE2 3.21Å; R442-E622 PolarHBondContact NH2-OE2 3.2Å; Y444-E622 HydrophobicContact CD1-CG 3.9Å; Y444-E622 HydrophobicContact CE1-CG 3.47Å; Y444-E622 VanDerWaalsContact CE1-CG 3.47Å; V454-E622 HydrophobicContact CG2-CG 4.23Å; Y546-E622 CarbonylContact C-O 3.22Å; Y546-E622 VanDerWaalsContact CA-O 3.23Å; Y546-E622 WeakPolarHBondContact CA-O 3.41Å; Y546-E622 HydrophobicContact CD1-CB 4.11Å; Y546-E622 WeakPolarHBondContact CD1-O 3.19Å; Y546-E622 HydrophobicContact CE1-CB 4.25Å; Y546-E622 HydrophobicContact CE1-CG 4.49Å; T547-E622 PolarHBondContact N-O 3.39Å; T577-E622 HydrophobicContact CG2-CB 3.72Å; K578-E622 HydrophobicContact CB-CG 4.37Å; K578-E622 WeakPolarHBondContact CD-OE1 3.44Å; E620-E622 PolarHBondContact OE1-N 2.83Å
623	R	95.3	Very high	87.9	Confident	125 Å²	125	47.5 Å²	47.5	47%	0.472	27%	0.271	S	S	.	.			trans	-156.1	115.8	179.1	-178	-168.3	65.5	-170.7	-3.1	111.4	N545 T547 T577 E620	N545-R623 WeakPolarHBondContact O-CD 3.46Å; T547-R623 WeakPolarHBondContact OG1-CA 3.44Å; T577-R623 PolarHBondContact N-O 3.11Å; T577-R623 WeakPolarHBondContact OG1-CB 3.17Å; T577-R623 PolarHBondContact OG1-O 3.4Å; E620-R623 PolarHBondContact OE1-N 3.28Å
624	A	95.3	Very high	87.8	Confident	9 Å²	9	44.3 Å²	44.3	7%	0.074	25%	0.25	C	S	.	.			trans	-87.3	143.4	172.3	0	0	0	0	0	112	T547 Y552 W576 E620 C626	T547-A624 PolarHBondContact OG1-N 2.84Å; T547-A624 VanDerWaalsContact OG1-N 3.16Å; Y552-A624 HydrophobicContact CE1-CB 4.09Å; Y552-A624 HydrophobicContact CE2-CB 3.74Å; Y552-A624 VanDerWaalsContact CZ-CB 3.44Å; Y552-A624 VanDerWaalsContact OH-CB 3.29Å; Y552-A624 WeakPolarHBondContact OH-CB 3.39Å; W576-A624 HydrophobicContact CE3-CB 4.3Å; W576-A624 HydrophobicContact CZ3-CB 3.99Å; E620-A624 HydrophobicContact CB-CB 4.36Å; E620-A624 HydrophobicContact CG-CB 3.87Å; A624-C626 HydrophobicContact CB-CB 4.13Å; A624-C626 PolarHBondContact O-N 3.16Å
625	P	93.8	Very high	87.8	Confident	20 Å²	20	44.5 Å²	44.5	13%	0.13	25%	0.252	C	S	.	.	S	Bend	trans	-79.7	40.8	176.9	35.4	-36.5	0	0	0	112.4	W576 L633 C634	W576-P625 HydrophobicContact CD2-CG 4.02Å; W576-P625 HydrophobicContact CG-CG 4.02Å; W576-P625 HydrophobicContact CZ2-CG 4.32Å; P625-L633 HydrophobicContact CB-CB 4.34Å; P625-L633 VanDerWaalsContact CG-O 3.32Å; P625-L633 WeakPolarHBondContact CG-O 3.37Å; P625-L633 CarbonylContact O-C 3.56Å; P625-L633 VanDerWaalsContact O-C 3.22Å; P625-L633 WeakPolarHBondContact O-CB 3.46Å; P625-C634 PolarHBondContact O-N 2.81Å
626	C	89.3	Confident	87.8	Confident	35 Å²	35	43.6 Å²	43.6	24%	0.236	25%	0.246	C	C	.	.			trans	-122.2	39.5	-161.9	-60.2	0	0	0	0	113.5	Y552 A624 C634	Y552-C626 HydrophobicContact CD1-CB 4.32Å; Y552-C626 HydrophobicContact CE1-CB 3.59Å; Y552-C626 WeakPolarHBondContact CE1-SG 3.44Å; A624-C626 HydrophobicContact CB-CB 4.13Å; A624-C626 PolarHBondContact O-N 3.16Å; C626-C634 HydrophobicContact CB-CB 3.69Å; C626-C634 WeakPolarHBondContact CB-SG 3.01Å; C626-C634 VanDerWaalsContact SG-CA 3.5Å; C626-C634 WeakPolarHBondContact SG-CB 3.37Å; C626-C634 CovalentContact SG-SG 2.03Å; C626-C634 PolarHBondContact SG-SG 3.37Å
627	S	77	Confident	87.8	Confident	73 Å²	73	46.9 Å²	46.9	51%	0.51	26%	0.262	S	S	.	.			trans	-75	157.4	173.6	53.2	0	0	0	0	112	D629 G630	S627-D629 PolarHBondContact O-N 2.58Å; S627-D629 VanDerWaalsContact O-N 3.1Å; S627-G630 PolarHBondContact O-N 3.07Å
628	S	61	Low	87.8	Confident	106 Å²	106	46.4 Å²	46.4	74%	0.741	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.6	-180	47.1	0	0	0	0	114.2	G630	S628-G630 VanDerWaalsContact C-N 3.33Å
629	D	61	Low	87.8	Confident	150 Å²	150	47.6 Å²	47.6	80%	0.802	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.6	-167.7	-49.7	-15.1	0	0	0	112.4	S627	S627-D629 PolarHBondContact O-N 2.58Å; S627-D629 VanDerWaalsContact O-N 3.1Å
630	G	63	Low	87.7	Confident	14 Å²	14	50.9 Å²	50.9	14%	0.144	28%	0.284	C	S	.	.			trans	-152.7	59	179.8	0	0	0	0	0	113.1	S627 S628 E632 L633	S627-G630 PolarHBondContact O-N 3.07Å; S628-G630 VanDerWaalsContact C-N 3.33Å; G630-E632 PolarHBondContact O-N 2.86Å; G630-E632 VanDerWaalsContact O-N 3.15Å; G630-L633 VanDerWaalsContact O-CB 3.27Å; G630-L633 WeakPolarHBondContact O-CB 3.23Å; G630-L633 PolarHBondContact O-N 3.24Å
631	P	67.9	Low	87.7	Confident	91 Å²	91	59.2 Å²	59.2	59%	0.591	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.2	-27.8	-177.2	25.5	-35.2	0	0	0	113	L633 C634	P631-L633 PolarHBondContact O-N 2.74Å; P631-C634 WeakPolarHBondContact O-CB 3.46Å; P631-C634 PolarHBondContact O-N 3.42Å; P631-C634 VanDerWaalsContact O-N 3.1Å
632	E	74.4	Confident	87.7	Confident	148 Å²	148	61.8 Å²	61.8	69%	0.692	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.5	173.1	-61.8	-172.6	-174.5	0	0	113.7	K376 G630	K376-E632 WeakPolarHBondContact CE-O 3.39Å; K376-E632 PolarHBondContact NZ-O 2.94Å; G630-E632 PolarHBondContact O-N 2.86Å; G630-E632 VanDerWaalsContact O-N 3.15Å
633	L	85.4	Confident	87.8	Confident	108 Å²	108	63.8 Å²	63.8	57%	0.565	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-82.5	-18.5	175.7	-56	176.5	0	0	0	112.1	P625 G630 P631 A635	P625-L633 HydrophobicContact CB-CB 4.34Å; P625-L633 VanDerWaalsContact CG-O 3.32Å; P625-L633 WeakPolarHBondContact CG-O 3.37Å; P625-L633 CarbonylContact O-C 3.56Å; P625-L633 VanDerWaalsContact O-C 3.22Å; P625-L633 WeakPolarHBondContact O-CB 3.46Å; G630-L633 VanDerWaalsContact O-CB 3.27Å; G630-L633 WeakPolarHBondContact O-CB 3.23Å; G630-L633 PolarHBondContact O-N 3.24Å; P631-L633 PolarHBondContact O-N 2.74Å; L633-A635 PolarHBondContact O-N 3.38Å
634	C	94.8	Very high	87.9	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.047	33%	0.327	C	S	.	.	S	Bend	trans	-77.4	71	176.5	-161.7	0	0	0	0	110.5	S378 L379 P625 C626 P631	S378-C634 WeakPolarHBondContact CA-O 3.35Å; L379-C634 PolarHBondContact N-O 2.89Å; L379-C634 PolarHBondContact O-SG 3.29Å; P625-C634 PolarHBondContact O-N 2.81Å; C626-C634 HydrophobicContact CB-CB 3.69Å; C626-C634 WeakPolarHBondContact CB-SG 3.01Å; C626-C634 VanDerWaalsContact SG-CA 3.5Å; C626-C634 WeakPolarHBondContact SG-CB 3.37Å; C626-C634 CovalentContact SG-SG 2.03Å; C626-C634 PolarHBondContact SG-SG 3.37Å; P631-C634 WeakPolarHBondContact O-CB 3.46Å; P631-C634 PolarHBondContact O-N 3.42Å; P631-C634 VanDerWaalsContact O-N 3.1Å
635	A	97.1	Very high	87.7	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.3	-173.2	0	0	0	0	0	112.3	K376 I377 W576 L633	K376-A635 HydrophobicContact CD-CB 4.2Å; K376-A635 HydrophobicContact CG-CB 3.72Å; I377-A635 VanDerWaalsContact O-CA 3.29Å; I377-A635 WeakPolarHBondContact O-CA 3.04Å; I377-A635 WeakPolarHBondContact O-CB 3.43Å; W576-A635 PolarHBondContact NE1-O 3.3Å; L633-A635 PolarHBondContact O-N 3.38Å
636	V	98.5	Very high	87.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	167.6	163.4	-66	0	0	0	0	108.8	K376 I377 L379 I571 F573 I616 V618	K376-V636 CarbonylContact C-O 3.52Å; K376-V636 WeakPolarHBondContact CA-O 3.42Å; I377-V636 HydrophobicContact CB-CG2 4.29Å; I377-V636 PolarHBondContact N-O 2.99Å; I377-V636 PolarHBondContact O-N 2.97Å; L379-V636 HydrophobicContact CD1-CG1 3.95Å; L379-V636 HydrophobicContact CD1-CG2 4.47Å; L379-V636 HydrophobicContact CD2-CG2 4.13Å; L379-V636 HydrophobicContact CG-CG2 4.43Å; I571-V636 HydrophobicContact CD1-CB 4.06Å; I571-V636 HydrophobicContact CD1-CG1 4.38Å; I571-V636 HydrophobicContact CD1-CG2 3.96Å; I571-V636 HydrophobicContact CG1-CB 4.15Å; I571-V636 HydrophobicContact CG1-CG2 4.45Å; F573-V636 HydrophobicContact CD1-CG1 3.59Å; F573-V636 HydrophobicContact CE1-CG1 3.73Å; I616-V636 HydrophobicContact CD1-CG2 3.66Å; I616-V636 HydrophobicContact CG2-CG2 4.4Å; V618-V636 HydrophobicContact CG2-CG1 4.19Å
637	E	98.4	Very high	85.9	Confident	68 Å²	68	64.9 Å²	64.9	32%	0.318	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.6	177.6	-179.4	173.5	-157.3	0	0	111.2	G375 I571 Q572 V639	G375-E637 WeakPolarHBondContact O-CA 3.44Å; I571-E637 CarbonylContact C-O 3.53Å; I571-E637 WeakPolarHBondContact CA-O 3.28Å; Q572-E637 HydrophobicContact CG-CB 3.81Å; Q572-E637 HydrophobicContact CG-CG 4.39Å; Q572-E637 WeakPolarHBondContact CG-O 3.36Å; Q572-E637 PolarHBondContact N-O 3.19Å; Q572-E637 PolarHBondContact NE2-OE2 3.1Å; Q572-E637 PolarHBondContact O-N 3.36Å; E637-V639 HydrophobicContact CG-CG1 4.17Å
638	F	98.9	Very high	84.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.1	174.2	-69.3	-76.1	0	0	0	110.7	A373 Y374 G375 I377 F556 T569 F570 I571 I583 V603 I616	A373-F638 CarbonylContact C-O 3.52Å; A373-F638 VanDerWaalsContact CA-O 3.24Å; A373-F638 WeakPolarHBondContact CA-O 3.1Å; A373-F638 WeakPolarHBondContact CB-O 3.44Å; Y374-F638 HydrophobicContact CD2-CB 4.26Å; Y374-F638 HydrophobicContact CD2-CG 4.39Å; Y374-F638 HydrophobicContact CG-CB 4.49Å; Y374-F638 PolarHBondContact N-O 3.34Å; G375-F638 PolarHBondContact N-O 2.88Å; G375-F638 PolarHBondContact O-N 2.03Å; I377-F638 HydrophobicContact CG1-CD2 3.88Å; I377-F638 HydrophobicContact CG1-CE2 3.76Å; F556-F638 HydrophobicContact CD1-CE2 4Å; F556-F638 HydrophobicContact CD1-CZ 4.46Å; F556-F638 AromaticContact CE1-CE2 3.57Å; F556-F638 HydrophobicContact CE1-CE2 3.57Å; F556-F638 AromaticContact CE1-CZ 3.64Å; F556-F638 HydrophobicContact CE1-CZ 3.64Å; F556-F638 HydrophobicContact CE2-CE2 4.25Å; F556-F638 AromaticContact CZ-CE2 3.71Å; F556-F638 HydrophobicContact CZ-CE2 3.71Å; F556-F638 AromaticContact CZ-CZ 3.75Å; F556-F638 HydrophobicContact CZ-CZ 3.75Å; T569-F638 HydrophobicContact CG2-CD1 3.54Å; T569-F638 HydrophobicContact CG2-CE1 4.02Å; T569-F638 HydrophobicContact CG2-CG 4.37Å; F570-F638 CarbonylContact O-C 3.54Å; F570-F638 WeakPolarHBondContact O-CA 3.29Å; I571-F638 HydrophobicContact CB-CD1 3.93Å; I571-F638 HydrophobicContact CB-CE1 3.78Å; I571-F638 HydrophobicContact CD1-CE1 4Å; I571-F638 HydrophobicContact CD1-CZ 4.05Å; I571-F638 HydrophobicContact CG1-CD1 4.34Å; I571-F638 HydrophobicContact CG1-CE1 4.07Å; I571-F638 HydrophobicContact CG1-CZ 4.49Å; I583-F638 HydrophobicContact CD1-CE1 3.68Å; I583-F638 HydrophobicContact CD1-CZ 3.68Å; V603-F638 HydrophobicContact CG2-CE1 4.21Å; I616-F638 HydrophobicContact CD1-CE2 3.57Å; I616-F638 HydrophobicContact CD1-CZ 3.72Å; I616-F638 HydrophobicContact CG1-CE2 4.49Å; I616-F638 HydrophobicContact CG1-CZ 4.25Å
639	V	98.8	Very high	84.1	Confident	24 Å²	24	68.2 Å²	68.2	15%	0.145	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.4	-178.1	-61.6	0	0	0	0	111.3	T569 F570 Q572 T600 E637 R641	T569-V639 PolarHBondContact OG1-O 2.89Å; F570-V639 HydrophobicContact CB-CG2 3.99Å; F570-V639 PolarHBondContact N-O 2.82Å; F570-V639 PolarHBondContact O-N 2.88Å; Q572-V639 HydrophobicContact CG-CG1 4.25Å; T600-V639 HydrophobicContact CG2-CG2 4.09Å; E637-V639 HydrophobicContact CG-CG1 4.17Å; V639-R641 WeakPolarHBondContact CG2-O 3.32Å
640	D	98.6	Very high	83.2	Confident	72 Å²	72	67.6 Å²	67.6	39%	0.385	36%	0.364	S	S	.	.	S	Bend	trans	-88	-3.2	-176.8	71.1	-32.9	0	0	0	113.7	K371 A373	K371-D640 HydrophobicContact CB-CB 4.07Å; K371-D640 WeakPolarHBondContact CB-O 3.37Å; K371-D640 WeakPolarHBondContact CG-O 3.45Å; A373-D640 HydrophobicContact CB-CB 4.35Å
641	R	98.4	Very high	81.9	Confident	174 Å²	174	73.4 Å²	73.4	66%	0.657	39%	0.392	S	S	*	.	S	Bend	trans	-136.4	142.1	-174.8	-68.6	173.3	-172.8	-89.2	-7.4	112.5	V639	V639-R641 WeakPolarHBondContact CG2-O 3.32Å
642	P	98.5	Very high	80.4	Confident	56 Å²	56	76.5 Å²	76.5	36%	0.364	40%	0.398	S	S	.	.			trans	-73.5	146.5	173.6	30.5	-32.1	0	0	0	111.3	F570 T600 I644	F570-P642 HydrophobicContact CD1-CB 3.94Å; F570-P642 HydrophobicContact CE1-CB 3.7Å; F570-P642 HydrophobicContact CE1-CG 4.23Å; F570-P642 HydrophobicContact CE2-CB 4.46Å; F570-P642 HydrophobicContact CE2-CG 4.39Å; F570-P642 HydrophobicContact CG-CB 4.43Å; F570-P642 HydrophobicContact CZ-CB 3.98Å; F570-P642 HydrophobicContact CZ-CG 4Å; T600-P642 WeakPolarHBondContact OG1-CA 3.18Å; P642-I644 HydrophobicContact CB-CG2 4.32Å
643	V	98.4	Very high	78.4	Confident	56 Å²	56	77.3 Å²	77.3	34%	0.339	41%	0.406	S	S	.	.			trans	-123.4	85.8	165.4	-174.3	0	0	0	0	107.6	L599 T600	L599-V643 HydrophobicContact CB-CB 4.34Å; L599-V643 HydrophobicContact CB-CG1 4.27Å; L599-V643 HydrophobicContact CD1-CG1 3.96Å; L599-V643 HydrophobicContact CG-CG1 4.2Å; L599-V643 PolarHBondContact N-O 2.98Å; T600-V643 HydrophobicContact CG2-CB 4.03Å; T600-V643 HydrophobicContact CG2-CG2 4.22Å; T600-V643 PolarHBondContact N-O 3.22Å; T600-V643 PolarHBondContact OG1-N 2.9Å; T600-V643 PolarHBondContact OG1-O 2.88Å
644	I	97	Very high	75.8	Confident	19 Å²	19	77.2 Å²	77.2	10%	0.097	42%	0.415	C	S	.	.			trans	-101.6	-18.6	-179.6	57.1	172.2	0	0	0	113.8	D332 P597 Q598 P642	D332-I644 HydrophobicContact CB-CD1 3.47Å; D332-I644 VanDerWaalsContact CB-CD1 3.47Å; P597-I644 CarbonylContact C-O 3.6Å; P597-I644 VanDerWaalsContact CB-O 3.32Å; P597-I644 WeakPolarHBondContact CB-O 3.37Å; P597-I644 CarbonylContact O-C 3.52Å; P597-I644 VanDerWaalsContact O-O 3.12Å; Q598-I644 HydrophobicContact CG-CG2 4.41Å; Q598-I644 PolarHBondContact N-O 3.19Å; P642-I644 HydrophobicContact CB-CG2 4.32Å
645	G	91.9	Very high	72.4	Confident	47 Å²	47	86.6 Å²	86.6	49%	0.485	46%	0.455	S	S	.	.	S	Bend	trans	-116.6	46.8	-178.3	0	0	0	0	0	114.3
646	S	85.3	Confident	69.2	Low	33 Å²	33	91.7 Å²	91.7	23%	0.231	49%	0.487	C	S	.	.			trans	-71.3	135.8	180	-165.1	0	0	0	0	112.4	P597 L599 Q648	P597-S646 WeakPolarHBondContact O-CB 3.28Å; P597-S646 PolarHBondContact O-N 2.65Å; L599-S646 WeakPolarHBondContact CD1-OG 3.1Å; S646-Q648 PolarHBondContact O-N 2.82Å; S646-Q648 VanDerWaalsContact O-N 3.1Å
647	S	60.1	Low	66	Low	112 Å²	112	98.2 Å²	98.2	78%	0.783	53%	0.527	S	S	*	.			trans	-82.5	33.9	-179.4	69.9	0	0	0	0	113.8	I649	S647-I649 PolarHBondContact O-N 3.22Å
648	Q	55.8	Low	62.6	Low	104 Å²	104	103.2 Å²	103.2	49%	0.486	55%	0.55	S	S	.	*			trans	-69.7	99.7	177.4	-74.1	-164.3	20.4	0	0	109.9	P593 S646 Y650	P593-Q648 PolarHBondContact O-OE1 2.94Å; S646-Q648 PolarHBondContact O-N 2.82Å; S646-Q648 VanDerWaalsContact O-N 3.1Å; Q648-Y650 PolarHBondContact O-N 2.8Å
649	I	44.2	Very low	59.3	Low	145 Å²	145	110.6 Å²	110.6	74%	0.744	59%	0.585	S	S	*	*			trans	-70.8	119.4	171.4	-60.1	174.2	0	0	0	107.2	S647 D651	S647-I649 PolarHBondContact O-N 3.22Å; I649-D651 PolarHBondContact O-N 2.76Å
650	Y	41.6	Very low	55.9	Low	137 Å²	137	120.1 Å²	120.1	54%	0.537	62%	0.618	S	S	.	*			trans	-76.1	72.2	179.8	-159.9	-87.9	0	0	0	110.9	A594 R595 Q648 H652	A594-Y650 VanDerWaalsContact O-CD2 3.27Å; A594-Y650 WeakPolarHBondContact O-CD2 3.18Å; A594-Y650 WeakPolarHBondContact O-CE2 3.42Å; R595-Y650 VanDerWaalsContact CD-CE2 3.46Å; R595-Y650 HydrophobicContact CG-CD2 4.43Å; R595-Y650 HydrophobicContact CG-CE2 4.07Å; Q648-Y650 PolarHBondContact O-N 2.8Å; Y650-H652 PolarHBondContact O-N 3.24Å
651	D	36.1	Very low	52.5	Low	137 Å²	137	123.7 Å²	123.7	73%	0.733	64%	0.637	S	S	*	*			trans	-83.3	88.4	174	-113.3	-24.4	0	0	0	110	I649	I649-D651 PolarHBondContact O-N 2.76Å
652	H	35.7	Very low	49.1	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.718	65%	0.649	S	S	*	*	S	Bend	trans	179.1	140.6	133.3	-98.3	-67.3	0	0	0	113.1	Y650	Y650-H652 PolarHBondContact O-N 3.24Å
653	L	33.4	Very low	45.8	Very low	166 Å²	166	125.3 Å²	125.3	87%	0.869	66%	0.662	S	S	*	*	S	Bend	trans	69.9	50.7	158.4	-63.5	173.2	0	0	0	120.1
654	S	29.4	Very low	42.5	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	68%	0.681	S	S	*	*				-167.5	125.5	123	55.4	0	0	0	0	110.3	P656	S654-P656 WeakPolarHBondContact O-CD 3.27Å
655	K	24.3	Very low	39.2	Very low	204 Å²	204	132.8 Å²	132.8	89%	0.887	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-61.7	126.8	163.9	-77.1	-175.7	175.6	-177.8	0	107.6	V657	K655-V657 PolarHBondContact O-N 3.07Å
656	P	29.8	Very low	36.2	Very low	110 Å²	110	136 Å²	136	71%	0.714	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-58.6	130	166.2	-18.9	31.5	0	0	0	108.4	S654 E658	S654-P656 WeakPolarHBondContact O-CD 3.27Å; P656-E658 PolarHBondContact O-N 3.23Å
657	V	31	Very low	33.7	Very low	138 Å²	138	143.6 Å²	143.6	84%	0.836	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-56.6	131.9	151.6	174.9	0	0	0	0	105.6	K655 Q659	K655-V657 PolarHBondContact O-N 3.07Å; V657-Q659 PolarHBondContact O-N 2.84Å
658	E	27.1	Very low	32.1	Very low	173 Å²	173	147.7 Å²	147.7	81%	0.808	76%	0.761	S	S	*	*			trans	-48.8	99.7	-172.8	-70.3	-175.8	146.3	0	0	111.7	P656 R660	P656-E658 PolarHBondContact O-N 3.23Å; E658-R660 VanDerWaalsContact C-N 3.32Å; E658-R660 PolarHBondContact O-N 3.38Å
659	Q	30.1	Very low	30.9	Very low	155 Å²	155	149 Å²	149	72%	0.724	78%	0.776	S	S	*	*			trans	-67	101.3	161	-81.5	-175.9	-23.9	0	0	106	V657 L661	V657-Q659 PolarHBondContact O-N 2.84Å; Q659-L661 PolarHBondContact O-N 3.22Å
660	R	27.2	Very low	30	Very low	224 Å²	224	151.7 Å²	151.7	85%	0.845	78%	0.782	S	S	*	*			trans	-62.8	83.2	154.9	-73.2	-172.5	-178.1	-174.1	1.9	107.6	E658 M662	E658-R660 VanDerWaalsContact C-N 3.32Å; E658-R660 PolarHBondContact O-N 3.38Å; R660-M662 PolarHBondContact O-N 3.15Å
661	L	27.7	Very low	29.4	Very low	147 Å²	147	152.7 Å²	152.7	77%	0.77	80%	0.795	S	S	*	*			trans	-50.6	111.5	154.4	-71.7	166.5	0	0	0	105.8	Q659 A663	Q659-L661 PolarHBondContact O-N 3.22Å; L661-A663 PolarHBondContact O-N 3.1Å
662	M	26	Very low	29.1	Very low	188 Å²	188	155.2 Å²	155.2	93%	0.926	80%	0.802	S	S	*	*			trans	-68	89.8	166.6	-79.5	-167.9	173.4	0	0	107	R660	R660-M662 PolarHBondContact O-N 3.15Å
663	A	28.9	Very low	28.6	Very low	76 Å²	76	151 Å²	151	63%	0.628	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-52.2	140.8	157.1	0	0	0	0	0	108	L661	L661-A663 PolarHBondContact O-N 3.1Å
664	P	29.1	Very low	28.1	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-54.9	135.2	174.2	23.8	-33.3	0	0	0	108.8
665	P	29.1	Very low	27.8	Very low	116 Å²	116	153.7 Å²	153.7	75%	0.753	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.6	133.9	-172.3	23.5	-33.4	0	0	0	110.1	Q667	P665-Q667 PolarHBondContact O-N 3.28Å
666	P	28.3	Very low	27.8	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.9	126.6	-179.6	24.5	-33.2	0	0	0	109.8	K668	P666-K668 PolarHBondContact O-N 3.1Å
667	Q	31.7	Very low	27.7	Very low	191 Å²	191	154.9 Å²	154.9	89%	0.893	79%	0.79	S	S	*	*			trans	-58.2	104.6	173	-74.9	-177.8	-14.2	0	0	109.4	P665 T669	P665-Q667 PolarHBondContact O-N 3.28Å; Q667-T669 PolarHBondContact O-N 2.88Å; Q667-T669 VanDerWaalsContact O-N 3.09Å
668	K	27.9	Very low	27.5	Very low	198 Å²	198	154.5 Å²	154.5	86%	0.861	78%	0.783	S	S	*	*			trans	-71.1	103.5	166.7	-79.8	-172.1	175.3	-179	0	108.6	P666 K670	P666-K668 PolarHBondContact O-N 3.1Å; K668-K670 PolarHBondContact O-N 2.69Å
669	T	29.2	Very low	27.5	Very low	131 Å²	131	153.5 Å²	153.5	80%	0.804	78%	0.784	S	S	*	*			trans	-53.2	107	165.7	29.4	0	0	0	0	110.4	Q667	Q667-T669 PolarHBondContact O-N 2.88Å; Q667-T669 VanDerWaalsContact O-N 3.09Å
670	K	27.1	Very low	27.4	Very low	202 Å²	202	154 Å²	154	88%	0.878	79%	0.786	S	S	*	*			trans	-88.2	102.5	160.7	-89.3	-171.5	173.1	-177.8	0	108.7	K668	K668-K670 PolarHBondContact O-N 2.69Å
671	I	28.5	Very low	27.5	Very low	158 Å²	158	148.2 Å²	148.2	81%	0.81	78%	0.78	S	S	*	*			trans	-78.8	128.3	162	-60.9	175	0	0	0	107
672	H	28.5	Very low	27.8	Very low	191 Å²	191	152.9 Å²	152.9	88%	0.884	80%	0.804	S	S	*	*			trans	-73.9	142.4	172.8	-84.8	-58.1	0	0	0	111.2
673	G	25	Very low	27.8	Very low	66 Å²	66	151.1 Å²	151.1	68%	0.68	80%	0.798	S	S	*	*			trans	-172.4	66.3	179.3	0	0	0	0	0	116.7
674	W	23	Very low	27.8	Very low	244 Å²	244	155.1 Å²	155.1	92%	0.924	81%	0.807	S	S	*	*			trans	52.8	119	144	-73.3	81.4	0	0	0	122.1
675	S	23.7	Very low	27.7	Very low	84 Å²	84	157.3 Å²	157.3	59%	0.587	81%	0.81	S	S	*	*				97.9	124.4	119.3	-155.3	0	0	0	0	122
676	M	25	Very low	27.6	Very low	150 Å²	150	159.7 Å²	159.7	74%	0.739	81%	0.814	S	S	*	*			trans	85.9	123.9	139.7	-87.9	-175.2	-39.6	0	0	122.9
677	Y	26.3	Very low	27.6	Very low	189 Å²	189	162.4 Å²	162.4	74%	0.741	82%	0.818	S	S	*	*			trans	80	133.6	142.6	-77.3	-64.1	0	0	0	122.8
678	D	27.1	Very low	27.3	Very low	130 Å²	130	160.5 Å²	160.5	70%	0.695	81%	0.813	S	S	*	*			trans	65.9	102.8	148.6	-54.7	-30.7	0	0	0	122.4
679	D	26.9	Very low	27.3	Very low	153 Å²	153	157.9 Å²	157.9	82%	0.818	81%	0.809	S	S	*	*				56.9	159.8	102.3	-128.6	-17.8	0	0	0	122.6
680	E	28.6	Very low	27.1	Very low	166 Å²	166	159.9 Å²	159.9	78%	0.776	81%	0.809	S	S	*	*			trans	73.3	96.2	168.8	-60.8	-160	149.2	0	0	120.6
681	S	30.1	Very low	27.1	Very low	101 Å²	101	156.4 Å²	156.4	71%	0.706	80%	0.804	S	S	*	*				49.2	117.5	128.8	66.4	0	0	0	0	121.8
682	L	32.8	Very low	27	Very low	245 Å²	245	156.3 Å²	156.3	100%	1.283	80%	0.803	S	S	*	*				-169.2	0	96.3	-102.4	163	0	0	0	112.4

Retrieved 682 of 682 residues in 504.5 ms (Link to these results)

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